==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 19-APR-12 4AQQ . COMPND 2 MOLECULE: L2 PROTEIN III (PENTON BASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ADENOVIRUS 3; . AUTHOR W.P.BURMEISTER,E.SZOLAJSKA,M.ZOCHOWSKA,B.NERLO,I.ANDREEV,G.S . 462 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 55.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 19.5 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 0.4 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 . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 4 3 2 1 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 3 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 48 A P 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.6 21.8 28.1 -195.4 2 49 A T + 0 0 141 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.689 360.0 151.2 97.9 102.8 25.4 26.9 -195.9 3 50 A E - 0 0 168 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.801 38.8-124.1-137.5 163.3 27.0 24.1 -194.0 4 51 A G + 0 0 43 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.952 58.5 156.9-152.6 156.0 29.7 22.2 -195.7 5 52 A R + 0 0 237 -2,-0.4 2,-0.5 2,-0.0 -1,-0.1 -0.384 48.9 152.3-139.1 38.2 31.5 19.2 -197.1 6 53 A N - 0 0 138 2,-0.0 2,-0.4 1,-0.0 -2,-0.1 -0.672 21.6-177.7 -74.2 121.3 33.3 21.6 -199.4 7 54 A S - 0 0 67 -2,-0.5 2,-0.7 2,-0.0 -1,-0.0 -0.740 20.6-170.2-138.0 97.4 36.6 20.0 -200.1 8 55 A I + 0 0 171 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.716 33.2 146.3 -81.8 119.8 39.3 21.4 -202.1 9 56 A R + 0 0 200 -2,-0.7 2,-0.2 5,-0.0 3,-0.1 -0.748 18.3 164.8-138.2-174.5 41.8 18.6 -202.6 10 57 A Y - 0 0 172 1,-0.4 -2,-0.0 -2,-0.2 0, 0.0 -0.572 56.8 -50.5 157.5 139.3 44.3 17.3 -205.1 11 58 A S S S+ 0 0 95 -2,-0.2 -1,-0.4 1,-0.1 3,-0.2 0.209 89.7 104.3 18.5-111.3 47.3 14.9 -205.4 12 59 A E S S- 0 0 124 1,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.654 91.3-115.5 6.7 72.2 49.6 16.0 -202.5 13 60 A L - 0 0 155 1,-0.2 3,-0.3 -4,-0.1 -1,-0.1 0.094 35.0 -80.9 -35.0 125.9 48.3 12.9 -200.7 14 61 A S - 0 0 61 -3,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.027 57.0 -95.2 -30.6 119.8 46.3 13.5 -197.5 15 62 A P S S- 0 0 113 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.244 70.0-130.4 -44.7 100.7 48.9 14.2 -194.7 16 63 A L - 0 0 113 -2,-0.4 3,-0.2 -3,-0.3 2,-0.2 -0.260 27.2-152.7 -78.7 153.2 48.5 10.5 -194.0 17 64 A Y + 0 0 166 1,-0.1 -1,-0.1 -2,-0.1 49,-0.0 -0.478 57.8 59.7-109.8 174.6 47.9 8.4 -191.0 18 65 A D S S- 0 0 120 -2,-0.2 441,-0.3 2,-0.0 -1,-0.1 0.256 107.7 -33.6 92.0 -7.8 48.5 4.9 -189.6 19 66 A T + 0 0 70 -3,-0.2 2,-0.3 439,-0.1 439,-0.1 -0.086 57.2 173.2 128.2 134.4 52.3 4.8 -189.6 20 67 A T - 0 0 82 437,-0.2 2,-0.2 -2,-0.1 -2,-0.0 -0.851 36.2 -92.2-148.7 177.3 55.1 6.0 -191.6 21 68 A K - 0 0 113 -2,-0.3 2,-0.4 435,-0.2 435,-0.2 -0.535 23.2-148.0 -95.4 168.3 58.8 6.1 -191.3 22 69 A L - 0 0 14 433,-0.2 433,-1.7 -2,-0.2 2,-0.6 -0.963 13.9-146.2-136.2 112.2 60.9 8.8 -189.8 23 70 A Y E -A 454 0A 117 -2,-0.4 2,-0.6 25,-0.3 431,-0.2 -0.743 13.0-170.9 -87.5 125.5 64.2 9.2 -191.3 24 71 A L E +A 453 0A 15 429,-0.9 429,-1.1 -2,-0.6 2,-0.1 -0.810 20.5 157.5-118.1 88.4 66.8 10.2 -188.9 25 72 A V - 0 0 26 -2,-0.6 427,-0.1 22,-0.4 428,-0.0 -0.398 28.1-166.7-100.8-178.6 70.0 11.1 -190.7 26 73 A D S S+ 0 0 6 -2,-0.1 19,-0.2 20,-0.1 -1,-0.1 0.397 82.0 55.1-147.1 -11.9 72.9 13.2 -189.7 27 74 A N + 0 0 94 4,-0.1 2,-0.3 5,-0.0 19,-0.1 0.026 67.3 138.5-114.9 27.8 74.9 13.9 -192.7 28 75 A K > - 0 0 47 1,-0.1 4,-1.2 19,-0.1 3,-0.3 -0.615 65.8-111.5 -69.5 136.9 72.0 15.3 -194.7 29 76 A S H > S+ 0 0 102 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.659 106.0 40.8 -44.2 -42.8 73.6 18.3 -196.5 30 77 A A H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.1 5,-0.3 0.928 106.6 64.0 -77.9 -41.4 72.1 21.4 -195.0 31 78 A D H >>S+ 0 0 2 -3,-0.3 4,-3.5 2,-0.2 5,-0.9 0.908 101.2 50.6 -42.0 -62.8 72.1 20.1 -191.4 32 79 A I H >X5S+ 0 0 73 -4,-1.2 4,-3.1 3,-0.2 3,-1.4 0.911 110.4 49.4 -35.9 -85.9 75.9 19.9 -191.3 33 80 A A H 3<5S+ 0 0 78 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.713 121.7 31.0 -18.3 -71.0 76.3 23.4 -192.6 34 81 A S H 3<5S+ 0 0 73 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.696 132.9 19.8 -75.7 -24.5 73.9 25.0 -190.1 35 82 A L H <<5S+ 0 0 41 -4,-3.5 3,-0.4 -3,-1.4 -3,-0.2 0.697 109.1 62.2-125.3 -19.5 74.1 22.9 -187.0 36 83 A N << + 0 0 30 -4,-3.1 -3,-0.1 -5,-0.9 -4,-0.1 -0.008 60.1 93.7-113.9 47.1 77.2 20.9 -186.8 37 84 A Y S S+ 0 0 230 -5,-0.2 -1,-0.2 -4,-0.2 -4,-0.1 0.846 86.1 81.5 -74.8 -43.5 80.2 23.0 -186.7 38 85 A Q S S- 0 0 68 -3,-0.4 2,-0.2 2,-0.0 -2,-0.2 0.647 105.6 -46.1 -18.1 -94.2 79.2 22.1 -183.2 39 86 A N - 0 0 105 -4,-0.2 -4,-0.0 1,-0.2 5,-0.0 -0.504 62.5 -74.1-134.4-159.8 80.5 18.7 -182.7 40 87 A D - 0 0 42 -2,-0.2 -1,-0.2 4,-0.1 409,-0.0 0.836 59.7 -70.2 -71.9-125.0 80.9 15.2 -184.1 41 88 A H S S+ 0 0 54 407,-0.2 3,-0.2 404,-0.2 396,-0.1 0.172 108.9 81.8-131.5 7.5 78.8 12.2 -184.7 42 89 A S S S- 0 0 1 1,-0.6 395,-4.1 394,-0.1 2,-0.3 0.793 118.8 -5.7 -82.7 -30.7 78.2 11.1 -181.1 43 90 A N B S+D 436 0B 7 393,-0.3 -1,-0.6 2,-0.0 2,-0.3 -0.940 78.9 134.5-154.7 156.1 75.6 13.7 -181.1 44 91 A F - 0 0 4 391,-1.2 391,-0.5 -2,-0.3 2,-0.3 -0.760 46.4-114.5-175.0-150.5 74.6 16.2 -183.6 45 92 A L - 0 0 32 -2,-0.3 2,-0.3 389,-0.2 389,-0.3 -0.948 22.4-157.6-162.3 162.5 71.1 17.0 -184.6 46 93 A T E -H 433 0C 0 387,-2.9 387,-1.2 -2,-0.3 2,-0.2 -0.997 24.6-115.0-154.8 146.6 69.1 16.7 -187.7 47 94 A T E -H 432 0C 9 -2,-0.3 -22,-0.4 385,-0.2 385,-0.3 -0.529 23.7-170.9 -73.4 147.1 66.1 18.0 -189.4 48 95 A V + 0 0 13 383,-2.8 2,-0.5 -2,-0.2 -25,-0.3 0.531 62.1 96.0-112.2 -20.5 63.6 15.2 -189.6 49 96 A V - 0 0 30 382,-0.9 5,-0.1 1,-0.2 11,-0.1 -0.615 65.6-158.3 -69.3 120.2 61.3 17.2 -191.8 50 97 A Q + 0 0 96 -2,-0.5 2,-0.4 3,-0.0 -1,-0.2 0.307 49.0 122.7 -88.1 11.5 62.4 16.0 -195.2 51 98 A N > - 0 0 69 1,-0.1 3,-0.6 2,-0.1 8,-0.1 -0.595 52.6-152.8 -78.2 130.6 61.1 19.0 -197.1 52 99 A N T 3 S+ 0 0 142 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.475 84.4 79.6 -78.0 -3.9 63.8 20.8 -199.1 53 100 A D T 3 S+ 0 0 114 2,-0.0 2,-0.4 1,-0.0 -1,-0.2 0.120 87.0 81.2 -92.2 28.8 62.0 24.1 -198.9 54 101 A F S < S- 0 0 82 -3,-0.6 3,-0.1 -5,-0.1 -1,-0.0 -0.975 71.9-136.6-143.9 133.2 63.3 24.5 -195.5 55 102 A T > - 0 0 52 -2,-0.4 4,-2.1 1,-0.2 5,-0.3 -0.620 41.7-115.4 -74.9 134.1 66.5 25.6 -193.7 56 103 A P H > S+ 0 0 3 0, 0.0 4,-3.7 0, 0.0 -1,-0.2 0.892 115.0 56.3 -33.6 -59.2 66.9 23.1 -190.9 57 104 A T H > S+ 0 0 76 2,-0.2 4,-1.3 1,-0.2 374,-0.1 0.874 108.3 41.4 -38.6 -73.8 66.4 26.0 -188.5 58 105 A E H >> S+ 0 0 75 1,-0.2 3,-1.1 2,-0.2 4,-0.9 0.940 116.8 51.4 -42.6 -58.9 63.0 27.2 -189.8 59 106 A A H >< S+ 0 0 2 -4,-2.1 3,-0.6 1,-0.3 372,-0.6 0.922 96.0 69.9 -40.6 -62.9 62.0 23.6 -190.1 60 107 A S H 3< S+ 0 0 37 -4,-3.7 371,-1.5 371,-0.3 372,-0.5 0.756 99.1 50.9 -19.7 -61.6 63.1 23.0 -186.5 61 108 A T H << S+ 0 0 107 -4,-1.3 -1,-0.3 -3,-1.1 -2,-0.2 0.916 94.8 79.5 -48.4 -62.5 60.2 25.1 -185.5 62 109 A Q S << S- 0 0 58 -4,-0.9 369,-2.0 -3,-0.6 2,-0.4 0.140 78.5-120.3 -45.2 164.2 57.4 23.3 -187.4 63 110 A T E -I 430 0D 76 367,-0.2 2,-0.5 368,-0.1 367,-0.2 -0.932 11.1-145.4-128.6 139.9 56.0 20.1 -186.1 64 111 A I E -I 429 0D 53 365,-2.1 365,-2.0 -2,-0.4 2,-0.8 -0.758 36.2-148.3 -81.6 127.3 55.6 16.5 -187.1 65 112 A N - 0 0 103 -2,-0.5 2,-0.3 363,-0.2 363,-0.2 -0.711 19.5-174.9-118.0 95.8 52.3 15.8 -185.6 66 113 A F - 0 0 16 -2,-0.8 6,-0.1 361,-0.2 -49,-0.0 -0.547 33.1-130.0 -70.9 134.4 51.7 12.4 -184.3 67 114 A D - 0 0 68 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.184 25.4-161.3-102.3-166.3 48.3 12.2 -183.2 68 115 A E + 0 0 62 1,-0.1 -1,-0.1 3,-0.1 3,-0.1 -0.079 60.4 121.0-125.5-146.7 45.9 11.4 -180.7 69 116 A R S S+ 0 0 201 393,-0.1 394,-0.1 -2,-0.1 -1,-0.1 0.901 121.0 42.7 56.0 41.6 42.9 10.6 -178.8 70 117 A S S S- 0 0 20 392,-0.3 391,-0.1 393,-0.0 2,-0.0 -0.129 85.6-145.2 151.0 110.4 45.3 7.7 -178.5 71 118 A R + 0 0 84 -2,-0.1 389,-1.1 -3,-0.1 2,-0.3 -0.202 24.8 169.6 -82.4-176.8 49.0 8.0 -177.9 72 119 A W E -B 459 0A 26 353,-0.5 353,-1.8 387,-0.2 2,-0.2 -0.904 20.0-136.0-168.5-165.8 51.6 5.7 -179.3 73 120 A G E -BC 458 424A 3 385,-1.9 385,-3.0 351,-0.3 2,-0.3 -0.798 18.1-115.6-152.6-164.6 55.3 4.9 -179.9 74 121 A G E -BC 457 423A 0 349,-2.7 349,-3.0 383,-0.3 2,-0.7 -0.913 17.7-114.3-143.7 170.0 57.7 3.6 -182.5 75 122 A Q E -BC 456 422A 74 381,-2.8 381,-2.0 -2,-0.3 2,-0.8 -0.926 32.2-159.5-106.5 111.9 60.1 0.9 -183.5 76 123 A L E +B 455 0A 15 345,-1.5 344,-2.1 -2,-0.7 345,-0.4 -0.843 15.2 173.5-103.7 111.9 63.5 2.3 -183.6 77 124 A K E -BC 454 419A 100 377,-1.5 377,-1.5 -2,-0.8 2,-0.3 -0.551 16.3-166.1 -98.2 170.2 66.0 0.3 -185.6 78 125 A T E -BC 453 418A 7 340,-2.0 340,-3.1 375,-0.2 2,-0.4 -0.943 21.5-150.1-170.2 143.4 69.4 1.8 -186.0 79 126 A I E +BC 452 417A 66 373,-3.6 373,-0.7 -2,-0.3 2,-0.3 -0.884 24.6 165.0-113.7 140.1 72.6 1.7 -188.0 80 127 A M E -BC 451 416A 9 336,-1.7 336,-2.9 -2,-0.4 2,-0.3 -0.965 13.6-171.7-159.4 143.9 76.0 2.7 -186.6 81 128 A H E -B 450 0A 51 369,-2.2 368,-2.0 -2,-0.3 369,-0.6 -0.901 8.3-174.0-132.5 158.1 79.7 2.3 -187.4 82 129 A T E -B 448 0A 0 332,-0.4 2,-0.5 -2,-0.3 366,-0.2 -0.996 24.1-144.8-153.1 158.1 82.9 3.1 -185.6 83 130 A N + 0 0 79 364,-3.1 281,-0.1 -2,-0.3 -2,-0.0 -0.864 30.4 169.6-126.5 93.5 86.6 3.2 -185.9 84 131 A M - 0 0 20 -2,-0.5 2,-0.8 279,-0.1 329,-0.1 -0.896 27.9-141.9-108.0 130.3 88.2 2.3 -182.6 85 132 A P > - 0 0 35 0, 0.0 3,-2.9 0, 0.0 50,-0.2 -0.836 22.9-126.6 -94.1 112.9 91.8 1.7 -182.4 86 133 A N T 3 S+ 0 0 8 -2,-0.8 50,-0.3 1,-0.3 326,-0.1 0.724 106.5 43.0 -27.5 -37.2 92.3 -1.1 -180.0 87 134 A V T 3 S+ 0 0 0 48,-3.1 -1,-0.3 46,-0.1 49,-0.1 0.046 75.8 145.0-109.9 32.3 94.7 1.1 -178.1 88 135 A N < > - 0 0 1 -3,-2.9 5,-2.1 46,-0.2 -4,-0.0 -0.106 51.2-131.5 -57.1 166.4 93.1 4.5 -177.9 89 136 A E T > 5S+ 0 0 100 3,-0.2 3,-3.0 1,-0.1 5,-0.3 0.823 101.1 69.4 -88.7 -36.6 93.7 6.4 -174.7 90 137 A Y T 3 5S+ 0 0 30 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.776 105.1 41.9 -50.9 -30.8 90.0 7.3 -174.3 91 138 A M T 3 5S- 0 0 6 2,-0.0 -1,-0.3 -5,-0.0 -2,-0.1 0.260 117.6-116.1 -99.9 8.9 89.3 3.6 -173.5 92 139 A F T < 5S+ 0 0 73 -3,-3.0 124,-2.6 1,-0.2 125,-0.6 0.964 80.1 128.9 55.0 54.3 92.4 3.4 -171.4 93 140 A S S >S+ 0 0 41 -3,-0.2 4,-7.3 1,-0.1 5,-0.6 -0.090 92.4 125.3-113.6 22.1 132.4 -6.3 -152.2 115 162 A T T 45S+ 0 0 37 -3,-0.3 4,-0.3 1,-0.2 -2,-0.1 0.858 95.2 21.0 -54.4 -29.8 133.5 -5.3 -155.7 116 163 A Y T 45S+ 0 0 176 -4,-0.3 4,-0.5 -3,-0.2 -1,-0.2 0.697 132.5 46.8-101.0 -34.8 130.9 -7.8 -156.9 117 164 A D T 45S+ 0 0 64 2,-0.2 -2,-0.2 -4,-0.2 -3,-0.1 0.726 102.5 63.3 -80.5 -27.7 129.0 -7.7 -153.6 118 165 A H T ><5S+ 0 0 39 -4,-7.3 3,-1.8 1,-0.2 4,-0.3 0.940 98.3 56.1 -62.7 -48.9 129.1 -3.8 -153.4 119 166 A K G > - 0 0 28 -2,-0.3 4,-1.9 272,-0.1 5,-0.2 -0.068 58.8 -92.8 -51.4 154.1 98.2 -7.4 -182.9 139 186 A A H >> S+ 0 0 8 270,-0.8 3,-0.8 2,-0.2 4,-0.7 0.873 125.8 28.3 -30.9 -82.7 97.8 -9.3 -179.7 140 187 A T H >4 S+ 0 0 16 1,-0.2 3,-1.5 2,-0.2 5,-0.3 0.923 104.9 72.9 -46.2 -73.7 101.5 -9.1 -179.0 141 188 A M H 3> S+ 0 0 63 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.655 98.1 55.0 -8.0 -60.9 102.5 -5.9 -180.7 142 189 A T H X S+ 0 0 19 -4,-2.5 4,-3.3 -3,-0.4 3,-0.6 0.918 114.9 29.7 -45.6 -49.5 105.0 -1.6 -177.0 146 193 A M H S+ 0 0 29 -3,-0.6 4,-4.2 -5,-0.4 3,-1.6 0.535 114.6 47.3-119.0 -72.3 109.4 -1.2 -174.8 149 196 A A H 3< S+ 0 0 12 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.639 109.5 58.1 -49.8 -15.5 108.0 1.9 -173.2 150 197 A I T >X S+ 0 0 5 -4,-3.6 4,-1.6 -6,-0.3 3,-0.7 0.905 115.5 35.0 -77.2 -43.8 108.7 0.1 -169.9 151 198 A I H <> S+ 0 0 22 -3,-1.6 4,-1.4 -5,-0.5 -2,-0.3 0.921 104.6 71.9 -67.4 -48.0 112.3 -0.0 -171.2 152 199 A D H 3< S+ 0 0 86 -4,-4.2 -1,-0.3 -6,-0.3 -3,-0.2 0.362 105.1 43.3 -53.7 9.9 111.8 3.4 -172.7 153 200 A N H <> S+ 0 0 16 -3,-0.7 4,-1.5 -5,-0.4 5,-0.3 0.619 110.3 52.0-116.0 -59.1 111.8 4.4 -169.1 154 201 A Y H >X S+ 0 0 30 -4,-1.6 4,-3.4 2,-0.2 3,-3.0 0.933 103.6 57.8 -38.9 -75.8 114.7 2.4 -167.9 155 202 A L H 3X>S+ 0 0 14 -4,-1.4 4,-0.7 1,-0.3 5,-0.6 0.760 109.0 46.7 -20.3 -69.1 117.1 3.6 -170.6 156 203 A E H 345S+ 0 0 121 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.729 133.5 13.4 -48.7 -37.5 116.5 7.1 -169.5 157 204 A I H <<5S+ 0 0 48 -3,-3.0 6,-0.3 -4,-1.5 -2,-0.2 0.705 119.2 61.0-115.2 -34.7 117.0 6.5 -165.8 158 205 A G H ><>S+ 0 0 0 -4,-3.4 3,-2.6 -5,-0.3 5,-2.2 0.988 106.3 44.8 -60.2 -62.1 118.5 3.0 -165.3 159 206 A R G ><5S+ 0 0 152 -4,-0.7 3,-1.1 1,-0.3 4,-0.2 0.951 112.3 53.3 -44.3 -64.0 121.7 3.6 -167.2 160 207 A Q G 3 - 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0 0 103 -2,-0.3 -1,-0.2 205,-0.1 -24,-0.1 0.599 66.0 -43.3-129.5 -42.8 101.2 -19.8 -174.2 199 246 A H S S- 0 0 25 122,-0.1 -24,-0.6 2,-0.0 102,-0.1 -0.642 72.3 -72.7 167.8 133.4 99.5 -16.7 -173.0 200 247 A P E +M 174 0F 19 0, 0.0 2,-0.3 0, 0.0 -26,-0.3 0.135 56.1 174.1 -34.0 152.1 100.6 -13.2 -171.9 201 248 A D E -M 173 0F 2 -28,-0.5 -28,-3.3 -27,-0.1 2,-0.5 -0.968 26.8-132.4-163.2 149.5 102.4 -13.1 -168.6 202 249 A I E -M 172 0F 6 -2,-0.3 98,-2.3 -30,-0.3 2,-0.4 -0.947 16.4-159.6-118.0 123.5 104.2 -10.6 -166.5 203 250 A V E -MN 171 299F 7 -32,-2.1 -32,-2.5 -2,-0.5 2,-0.3 -0.808 14.2-165.9 -98.9 138.1 107.6 -11.3 -165.0 204 251 A L E -MN 170 298F 2 94,-3.8 94,-2.2 -2,-0.4 -34,-0.2 -0.826 17.5-151.4-126.2 161.8 108.9 -9.4 -162.0 205 252 A L - 0 0 3 -36,-1.7 32,-0.3 -2,-0.3 2,-0.2 -0.499 56.0 -59.8-110.2-173.5 112.0 -8.7 -160.1 206 253 A P S S- 0 0 54 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.505 115.3 -0.9 -82.4 146.9 111.9 -7.8 -156.5 207 254 A G S S+ 0 0 15 1,-0.2 -108,-0.1 -2,-0.2 -82,-0.0 -0.189 104.6 106.3 82.6 -43.4 110.1 -4.7 -155.3 208 255 A C + 0 0 0 -2,-1.0 29,-1.2 28,-0.1 2,-0.2 -0.287 45.2 157.2 -66.6 153.8 109.0 -3.8 -158.8 209 256 A G E -KL 99 236E 0 -110,-0.9 -110,-1.4 27,-0.2 2,-0.3 -0.826 34.0-113.4-156.4-163.6 105.4 -4.4 -159.7 210 257 A V E -KL 98 235E 1 25,-1.6 25,-3.0 -112,-0.3 2,-0.4 -0.964 15.5-167.3-154.1 130.1 102.6 -3.4 -161.9 211 258 A D E +KL 97 234E 18 -114,-1.5 -114,-2.3 -2,-0.3 23,-0.2 -0.956 10.8 173.8-117.6 134.8 99.3 -1.7 -161.3 212 259 A F > + 0 0 2 21,-0.6 3,-3.0 -2,-0.4 -1,-0.1 0.693 45.9 114.7-109.0 -28.5 96.5 -1.6 -163.8 213 260 A T T 3 S+ 0 0 68 20,-0.8 -1,-0.1 1,-0.3 21,-0.1 0.598 83.5 46.8 -3.7 -57.7 93.8 0.1 -161.7 214 261 A E T 3 S+ 0 0 93 -3,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.106 116.3 47.6 -86.2 24.5 94.0 3.0 -164.1 215 262 A S < - 0 0 17 -3,-3.0 -122,-0.2 1,-0.1 4,-0.1 -0.986 57.7-144.3-158.4 169.5 93.9 0.9 -167.3 216 263 A R S >> S+ 0 0 31 -124,-2.6 3,-2.3 -2,-0.3 4,-0.7 0.741 73.5 98.2-108.5 -31.5 92.4 -1.9 -169.3 217 264 A L H >> S+ 0 0 0 -125,-0.6 4,-2.5 1,-0.3 3,-2.4 0.778 76.8 76.8 -27.8 -35.0 95.2 -3.5 -171.2 218 265 A S H 34>S+ 0 0 9 1,-0.3 5,-1.4 2,-0.3 3,-0.3 0.938 88.5 51.5 -40.3 -62.6 94.9 -5.9 -168.3 219 266 A N H <45S+ 0 0 39 -3,-2.3 104,-1.0 1,-0.3 3,-0.4 0.682 109.6 53.4 -51.0 -19.6 91.8 -7.4 -169.9 220 267 A L H <<5S+ 0 0 3 -3,-2.4 -1,-0.3 -4,-0.7 -2,-0.3 0.898 98.7 59.1 -81.0 -47.3 94.1 -7.8 -172.9 221 268 A L T <5S- 0 0 2 -4,-2.5 -1,-0.2 -3,-0.3 -2,-0.2 0.275 111.2-126.6 -65.7 16.1 96.8 -9.6 -170.9 222 269 A G T 5S+ 0 0 0 -3,-0.4 98,-2.9 99,-0.3 2,-0.5 0.768 75.1 120.6 40.9 32.7 93.9 -12.0 -170.4 223 270 A I E < +P 319 0G 3 -5,-1.4 2,-0.4 96,-0.2 96,-0.2 -0.991 38.8 171.8-125.8 122.9 94.7 -11.6 -166.7 224 271 A R E -P 318 0G 89 94,-2.1 94,-2.6 -2,-0.5 -6,-0.0 -0.993 36.6-101.3-146.1 146.3 92.0 -10.3 -164.4 225 272 A K E -P 317 0G 20 -2,-0.4 92,-0.3 92,-0.2 91,-0.1 -0.064 28.7-136.4 -48.6 149.6 91.2 -9.7 -160.8 226 273 A R S S+ 0 0 112 90,-1.2 91,-0.2 1,-0.2 -1,-0.1 0.642 104.1 39.0 -91.9 -12.0 88.9 -12.3 -159.3 227 274 A H S S- 0 0 132 89,-0.3 2,-2.6 0, 0.0 -1,-0.2 0.004 84.7-167.0-121.2 27.0 86.6 -9.9 -157.4 228 275 A P + 0 0 61 0, 0.0 89,-0.0 0, 0.0 -2,-0.0 0.305 64.3 78.7 -9.3 37.2 86.7 -7.3 -160.3 229 276 A F S S+ 0 0 189 -2,-2.6 2,-0.0 0, 0.0 -3,-0.0 -0.007 89.0 26.0-151.0 43.6 85.2 -4.6 -158.2 230 277 A Q S S- 0 0 121 -17,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.098 80.5 -97.0-154.7-107.0 87.6 -2.9 -155.9 231 278 A E + 0 0 88 -2,-0.0 0, 0.0 3,-0.0 0, 0.0 0.231 67.8 118.8 153.7 80.4 91.4 -2.4 -155.9 232 279 A G + 0 0 32 2,-0.0 2,-0.9 -19,-0.0 0, 0.0 0.032 61.1 132.6-124.0 5.8 94.1 -4.5 -154.1 233 280 A F + 0 0 12 2,-0.1 -20,-0.8 -22,-0.0 -21,-0.6 -0.537 20.7 95.4 -75.1 96.0 94.9 -4.8 -157.8 234 281 A K E -L 211 0E 91 -2,-0.9 2,-0.5 -23,-0.2 -23,-0.3 -0.847 66.8-124.8-167.1 158.8 98.6 -4.2 -158.5 235 282 A I E -L 210 0E 4 -25,-3.0 -25,-1.6 -2,-0.3 2,-0.3 -0.958 26.2-173.8-131.2 120.2 101.0 -7.0 -158.8 236 283 A M E >> -L 209 0E 32 -2,-0.5 3,-2.3 -27,-0.2 4,-1.3 -0.782 42.1-110.5-110.8 153.2 104.2 -7.2 -156.7 237 284 A Y G >4 S+ 0 0 19 -29,-1.2 3,-0.9 -2,-0.3 -1,-0.1 0.932 118.7 63.7 -38.2 -56.4 107.2 -9.5 -156.7 238 285 A E G 34 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.1 -29,-0.0 0.678 97.6 50.7 -39.6 -38.9 105.6 -10.6 -153.4 239 286 A D G <4 S+ 0 0 45 -3,-2.3 2,-3.2 1,-0.2 -1,-0.3 0.908 89.3 77.4 -76.3 -40.6 102.4 -12.0 -154.8 240 287 A L S << S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.9 2,-0.1 -0.419 73.6 176.6 -67.0 78.5 103.9 -14.2 -157.5 241 288 A E + 0 0 91 -2,-3.2 2,-4.2 71,-0.3 67,-0.2 -0.501 63.3 0.2 -81.8 162.4 104.8 -16.7 -154.8 242 289 A G S S+ 0 0 43 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.165 105.2 102.8 50.6 -27.3 106.3 -19.9 -156.0 243 290 A G + 0 0 0 -2,-4.2 56,-3.4 -4,-0.1 60,-0.2 0.046 45.6 136.3 -75.2 29.3 106.1 -18.7 -159.5 244 291 A N B -O 298 0F 26 -2,-0.5 54,-0.3 54,-0.3 52,-0.1 -0.521 66.6-100.8 -75.0 148.2 109.8 -17.8 -159.7 245 292 A I - 0 0 0 52,-3.9 50,-0.4 50,-0.6 52,-0.2 -0.162 32.5-117.6 -57.9 161.6 111.4 -18.8 -162.9 246 293 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 0.972 38.3-119.8 -72.5 -47.1 113.4 -22.0 -162.4 247 294 A A - 0 0 0 47,-0.3 47,-0.1 48,-0.1 -60,-0.1 -0.275 37.6-116.6 142.4 -49.9 116.8 -20.6 -163.2 248 295 A L - 0 0 1 45,-0.2 2,-0.3 -62,-0.1 -59,-0.1 -0.181 26.3-102.7 101.6 163.6 117.9 -22.5 -166.3 249 296 A L - 0 0 3 -61,-0.8 2,-0.7 27,-0.3 25,-0.1 -0.812 22.9-106.2-123.5 164.8 120.9 -24.9 -166.7 250 297 A D > - 0 0 28 25,-1.3 4,-0.8 23,-0.6 -59,-0.1 -0.805 30.3-177.7 -92.8 118.3 124.4 -24.9 -168.2 251 298 A V H >> S+ 0 0 72 -2,-0.7 4,-1.8 2,-0.1 3,-0.6 0.979 75.8 45.5 -72.5 -79.7 124.5 -26.9 -171.4 252 299 A T H >> S+ 0 0 104 1,-0.3 4,-2.5 2,-0.2 3,-0.9 0.808 113.4 48.7 -28.6 -68.4 128.1 -26.7 -172.5 253 300 A A H 3> S+ 0 0 25 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.915 108.9 54.2 -44.4 -53.5 129.6 -27.4 -169.1 254 301 A Y H << S+ 0 0 71 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.890 114.6 44.3 -48.4 -40.6 127.3 -30.4 -168.7 255 302 A E H X< S+ 0 0 79 -4,-1.8 3,-2.8 -3,-0.9 -2,-0.2 0.978 107.4 52.2 -70.8 -61.5 128.7 -31.5 -172.0 256 303 A E H >< S+ 0 0 141 -4,-2.5 3,-0.7 1,-0.3 4,-0.4 0.922 111.4 49.5 -37.2 -61.4 132.4 -31.0 -171.7 257 304 A S T 3< S+ 0 0 12 -4,-1.9 -1,-0.3 1,-0.3 15,-0.2 0.136 79.9 108.4 -69.2 22.3 132.4 -32.9 -168.4 258 305 A K T < S+ 0 0 114 -3,-2.8 -1,-0.3 -2,-0.1 -2,-0.2 0.468 92.7 9.8 -80.7 1.3 130.5 -35.6 -170.3 259 306 A K S < S+ 0 0 164 -3,-0.7 -2,-0.1 -4,-0.1 -3,-0.1 0.542 131.5 1.5-139.4 -74.1 133.6 -37.8 -170.1 260 307 A D S >> S+ 0 0 88 -4,-0.4 3,-3.5 2,-0.2 4,-1.6 0.769 111.9 69.2-103.5 -33.4 136.9 -37.4 -168.2 261 308 A T T 34 S+ 0 0 53 1,-0.3 -4,-0.1 -5,-0.3 -1,-0.1 0.726 110.0 55.4 -55.9 -8.1 136.4 -34.1 -166.2 262 309 A T T 34 S+ 0 0 2 7,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.016 102.2 45.0-111.9 24.4 134.3 -36.9 -165.0 263 310 A T T <4 S+ 0 0 57 -3,-3.5 4,-0.4 3,-0.1 -2,-0.2 0.311 102.9 66.7-139.3 -4.7 136.6 -39.8 -164.2 264 311 A E S < S+ 0 0 106 -4,-1.6 -2,-0.1 1,-0.2 -3,-0.1 0.478 100.6 50.0 -92.0 -10.3 139.2 -37.6 -162.5 265 312 A T S S+ 0 0 80 -5,-0.2 -1,-0.2 1,-0.1 -3,-0.1 0.525 106.1 51.4-106.6 -8.1 136.7 -36.9 -159.6 266 313 A T 0 0 104 3,-0.0 -2,-0.1 0, 0.0 -1,-0.1 0.660 360.0 360.0 -90.7 -25.8 135.7 -40.6 -158.9 267 314 A T 0 0 143 -4,-0.4 -3,-0.1 0, 0.0 -4,-0.0 0.168 360.0 360.0-106.1 360.0 139.5 -41.1 -158.7 268 ! 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 0.0 269 348 A K 0 0 49 0, 0.0 -7,-0.1 0, 0.0 -8,-0.1 0.000 360.0 360.0 360.0-171.3 131.4 -39.7 -163.4 270 349 A K + 0 0 153 -7,-0.0 -8,-0.1 3,-0.0 -7,-0.0 0.470 360.0 106.9-138.9 -3.4 128.3 -37.6 -163.8 271 350 A E > + 0 0 60 2,-0.1 3,-1.2 1,-0.1 -9,-0.1 0.909 47.1 122.6 -44.1 -59.7 128.4 -34.4 -161.6 272 351 A L T 3 S+ 0 0 19 1,-0.2 -1,-0.1 -15,-0.2 -10,-0.0 0.267 71.4 23.8 -3.4 71.5 129.0 -32.2 -164.6 273 352 A K T 3 + 0 0 60 -20,-0.1 -23,-0.6 3,-0.0 -1,-0.2 0.280 63.7 119.8 149.9 -25.3 126.2 -29.6 -164.6 274 353 A I < + 0 0 133 -3,-1.2 -2,-0.1 -25,-0.1 -3,-0.0 0.850 63.2 103.5 -36.1 -31.2 124.6 -29.0 -161.3 275 354 A Q - 0 0 113 -26,-0.1 -25,-1.3 -25,-0.1 2,-0.5 -0.351 70.0-153.7 -57.9 102.3 126.0 -25.6 -162.3 276 355 A P - 0 0 2 0, 0.0 -27,-0.3 0, 0.0 12,-0.1 -0.721 37.7 -91.6 -82.6 125.3 122.9 -23.8 -163.4 277 356 A L - 0 0 41 -2,-0.5 3,-0.1 1,-0.1 -27,-0.1 -0.014 42.5-163.1 -32.7 139.1 123.9 -21.2 -165.9 278 357 A E - 0 0 62 1,-0.4 8,-1.5 -3,-0.1 10,-0.5 0.869 61.3 -0.6 -99.0 -51.6 124.6 -18.0 -164.0 279 358 A K B S-Q 285 0H 119 6,-0.2 -1,-0.4 7,-0.1 6,-0.2 -0.972 77.2-102.5-140.2 154.3 124.6 -15.2 -166.5 280 359 A D > - 0 0 25 4,-2.3 3,-2.5 -2,-0.3 4,-0.1 -0.299 42.6 -94.6 -75.8 164.8 124.2 -15.0 -170.3 281 360 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.2 115,-0.0 0.856 126.2 56.8 -42.2 -57.8 127.0 -14.6 -172.8 282 361 A K T 3 S- 0 0 144 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.505 124.1-112.7 -59.7 4.3 126.8 -10.9 -173.1 283 362 A S < + 0 0 86 -3,-2.5 2,-0.2 1,-0.3 -2,-0.2 0.609 63.9 155.9 73.8 18.4 127.4 -11.4 -169.3 284 363 A R - 0 0 26 -4,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.554 45.5-113.2 -73.2 136.1 124.0 -10.1 -168.3 285 364 A S B -Q 279 0H 38 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.395 17.6-157.8 -76.8 151.6 123.1 -11.6 -164.9 286 365 A Y - 0 0 6 -8,-1.5 10,-0.1 -2,-0.1 -7,-0.1 0.168 30.9-137.5-107.4 14.2 120.4 -14.1 -164.3 287 366 A N + 0 0 41 8,-0.1 9,-1.5 1,-0.1 -8,-0.1 0.808 34.0 179.6 30.6 45.2 120.4 -13.1 -160.7 288 367 A V - 0 0 1 -10,-0.5 8,-0.5 7,-0.2 2,-0.2 0.873 19.6-143.7 -35.9 -69.4 120.1 -16.8 -160.1 289 368 A L - 0 0 69 6,-0.2 -1,-0.1 3,-0.1 3,-0.1 -0.752 31.6 -55.7 124.9-170.3 120.0 -16.8 -156.3 290 369 A E S > S+ 0 0 125 -2,-0.2 2,-5.6 1,-0.2 3,-0.6 0.033 121.1 43.9 -80.7-158.0 121.5 -19.2 -153.8 291 370 A D T 3 S- 0 0 86 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.177 100.7-126.8 47.2 -28.8 120.5 -22.8 -154.1 292 371 A K T 3 S+ 0 0 83 -2,-5.6 -1,-0.2 2,-0.2 3,-0.1 0.954 88.4 85.6 57.1 57.6 121.0 -22.4 -157.8 293 372 A I S < S+ 0 0 30 -3,-0.6 2,-0.3 1,-0.2 -45,-0.2 0.199 82.2 57.5-161.9 5.0 117.7 -23.7 -159.1 294 373 A N - 0 0 60 -4,-0.5 2,-0.4 -47,-0.1 -47,-0.3 -0.846 61.7-156.7-151.9 110.5 115.7 -20.6 -158.9 295 374 A T - 0 0 2 -50,-0.4 2,-4.3 -2,-0.3 -50,-0.6 -0.721 34.1-118.5 -84.1 131.1 116.3 -17.3 -160.5 296 375 A A S S+ 0 0 13 -9,-1.5 2,-0.5 -8,-0.5 -1,-0.1 -0.263 79.3 119.3 -67.9 63.4 114.5 -14.5 -158.6 297 376 A Y - 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