==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 05-JUL-02 1M4X . COMPND 2 MOLECULE: PBCV-1 VIRUS CAPSID; . SOURCE 2 ORGANISM_SCIENTIFIC: PARAMECIUM BURSARIA CHLORELLA VIRUS 1; . AUTHOR N.NANDHAGOPAL,A.A.SIMPSON,J.R.GURNON,X.YAN,T.S.BAKER, . 1239 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 843 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 345 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 15 1.2 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 . 156 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.7 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 6 9 0 0 0 3 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 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 15 0 3 9 6 9 6 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 3 0 9 3 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 25 A T 0 0 92 0, 0.0 3,-0.3 0, 0.0 425,-0.0 0.000 360.0 360.0 360.0 143.0 530.3 578.1 67.8 2 26 A F + 0 0 55 423,-0.2 3,-0.2 1,-0.1 549,-0.1 0.524 360.0 62.9 -99.3 -7.5 532.8 580.9 68.4 3 27 A F S S+ 0 0 0 1,-0.2 -1,-0.1 548,-0.1 2,-0.1 0.177 98.1 48.5-108.2 20.1 534.4 579.3 71.4 4 28 A K - 0 0 40 -3,-0.3 2,-0.3 547,-0.1 -1,-0.2 -0.576 68.8-169.3-156.0 84.7 535.9 576.1 70.1 5 29 A T - 0 0 56 545,-1.5 2,-0.8 -3,-0.2 -3,-0.1 -0.556 12.8-149.1 -79.1 138.6 537.9 576.5 66.9 6 30 A V - 0 0 128 -2,-0.3 -1,-0.0 610,-0.1 610,-0.0 -0.811 15.7-157.7-109.2 91.7 539.1 573.4 65.0 7 31 A Y - 0 0 44 -2,-0.8 2,-0.3 1,-0.1 747,-0.0 -0.347 17.5-124.0 -64.5 147.9 542.4 574.3 63.4 8 32 A R - 0 0 182 747,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.740 15.0-119.7 -99.4 148.4 543.2 572.1 60.4 9 33 A R - 0 0 239 -2,-0.3 2,-0.2 747,-0.0 747,-0.0 -0.632 33.9-161.4 -83.7 140.3 546.4 570.0 60.0 10 34 A Y - 0 0 60 -2,-0.3 2,-0.4 1,-0.0 3,-0.0 -0.620 28.4 -76.8-118.5 175.6 548.5 570.9 57.0 11 35 A T - 0 0 25 -2,-0.2 819,-0.2 1,-0.1 -1,-0.0 -0.594 53.5-112.3 -76.3 128.3 551.3 569.4 54.9 12 36 A N + 0 0 101 -2,-0.4 176,-1.0 745,-0.1 2,-0.3 -0.286 53.4 147.1 -60.1 140.0 554.7 569.5 56.6 13 37 A F E -A 187 0A 12 745,-0.2 2,-0.3 174,-0.2 745,-0.3 -0.966 34.2-137.7-163.4 176.8 557.2 571.8 55.0 14 38 A A E -A 186 0A 34 172,-1.1 172,-2.6 -2,-0.3 2,-0.4 -0.985 11.2-144.0-147.1 152.9 560.2 574.1 55.4 15 39 A I E +A 185 0A 24 -2,-0.3 2,-0.3 170,-0.2 170,-0.2 -0.937 17.6 172.6-120.9 143.0 561.2 577.5 53.9 16 40 A E E -A 184 0A 51 168,-1.8 168,-3.0 -2,-0.4 2,-0.7 -0.968 26.3-140.1-150.3 131.1 564.7 578.7 53.0 17 41 A S E -A 183 0A 6 -2,-0.3 700,-0.6 166,-0.3 2,-0.4 -0.853 30.1-169.8 -93.9 114.3 565.7 581.9 51.2 18 42 A I E -A 182 0A 26 164,-3.0 164,-2.4 -2,-0.7 19,-0.1 -0.898 20.9-113.8-113.7 135.0 568.6 580.9 48.9 19 43 A Q E -A 181 0A 98 -2,-0.4 162,-0.2 162,-0.2 2,-0.2 -0.325 28.1-142.2 -68.6 142.6 570.9 583.2 46.9 20 44 A Q - 0 0 8 160,-3.5 2,-0.6 -2,-0.1 160,-0.5 -0.623 14.9-114.9-102.0 158.8 570.8 583.3 43.2 21 45 A T - 0 0 119 14,-0.3 2,-0.7 -2,-0.2 14,-0.4 -0.848 26.2-145.6 -96.0 121.7 573.6 583.6 40.6 22 46 A I - 0 0 35 -2,-0.6 2,-0.4 12,-0.1 12,-0.2 -0.803 9.8-153.0 -94.2 114.2 573.3 586.8 38.6 23 47 A N B +E 33 0B 112 10,-2.9 10,-2.6 -2,-0.7 2,-0.1 -0.694 58.5 28.2 -86.1 130.0 574.5 586.4 34.9 24 48 A G S S- 0 0 46 -2,-0.4 2,-0.7 8,-0.2 8,-0.1 -0.367 99.8 -53.7 109.3 169.1 575.8 589.5 33.3 25 49 A S - 0 0 83 6,-0.3 2,-0.2 -2,-0.1 -2,-0.1 -0.739 49.4-137.6 -90.9 113.2 577.5 592.7 34.4 26 50 A V + 0 0 44 -2,-0.7 2,-0.3 -4,-0.1 5,-0.1 -0.466 52.7 106.3 -70.0 129.7 575.7 594.6 37.1 27 51 A G S > S- 0 0 9 -2,-0.2 3,-2.1 3,-0.1 128,-0.2 -0.859 74.3 -53.3 169.4 157.9 575.7 598.4 36.6 28 52 A F T 3 S+ 0 0 39 1,-0.3 129,-0.3 -2,-0.3 128,-0.1 -0.141 122.2 9.5 -49.3 136.6 573.5 601.3 35.6 29 53 A G T 3 S+ 0 0 43 127,-2.1 -1,-0.3 126,-0.3 2,-0.3 0.563 99.1 133.8 68.6 10.1 571.8 600.7 32.2 30 54 A N < - 0 0 55 -3,-2.1 125,-2.3 126,-0.3 2,-0.6 -0.642 53.2-135.5 -95.3 149.6 572.8 597.0 32.1 31 55 A K E + F 0 154B 157 -2,-0.3 -6,-0.3 123,-0.2 2,-0.3 -0.900 34.8 166.2-101.5 125.9 570.7 594.0 31.2 32 56 A V E - F 0 153B 5 121,-1.8 121,-2.2 -2,-0.6 2,-0.3 -0.880 10.6-169.4-134.2 163.6 571.4 591.1 33.6 33 57 A S E -EF 23 152B 20 -10,-2.6 -10,-2.9 -2,-0.3 2,-0.3 -0.939 12.7-143.3-151.3 175.3 569.6 587.9 34.3 34 58 A T E - F 0 151B 0 117,-2.5 117,-2.3 -2,-0.3 2,-0.8 -0.984 8.1-152.5-149.3 132.2 569.1 584.8 36.4 35 59 A Q E - F 0 150B 122 -14,-0.4 -14,-0.3 -2,-0.3 115,-0.2 -0.905 39.8-119.2-102.3 110.1 568.2 581.1 35.9 36 60 A I - 0 0 4 113,-2.4 113,-0.3 -2,-0.8 2,-0.1 -0.211 27.5-123.9 -51.5 126.9 566.5 580.0 39.1 37 61 A S - 0 0 43 -19,-0.1 2,-1.3 1,-0.1 3,-0.4 -0.481 16.5-121.9 -74.7 146.2 568.6 577.2 40.7 38 62 A R + 0 0 123 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.372 66.3 127.6 -91.2 60.6 566.7 573.9 41.4 39 63 A N + 0 0 81 -2,-1.3 -1,-0.2 -21,-0.0 2,-0.1 0.931 66.9 27.7 -78.3 -53.6 567.3 573.7 45.2 40 64 A G S S- 0 0 3 -3,-0.4 146,-0.2 1,-0.1 3,-0.1 -0.420 78.2-111.4-105.8-176.0 563.7 573.2 46.5 41 65 A D S S+ 0 0 12 144,-1.5 101,-2.0 1,-0.2 100,-0.8 0.905 96.8 14.6 -82.5 -43.6 560.5 571.8 45.3 42 66 A L E -BC 140 185A 0 143,-1.6 143,-2.5 98,-0.2 2,-0.4 -0.893 67.6-146.0-129.3 158.4 558.4 575.1 45.1 43 67 A I E +BC 139 184A 0 96,-1.8 96,-1.7 -2,-0.3 141,-0.2 -0.982 21.9 161.7-128.2 141.9 559.4 578.7 45.0 44 68 A T E + 0 0 11 139,-2.5 -1,-0.1 1,-0.4 140,-0.1 0.471 52.9 30.9-118.7-100.3 557.5 581.7 46.5 45 69 A D E - 0 0 40 87,-0.1 138,-2.8 137,-0.1 -1,-0.4 -0.257 56.3-165.6 -68.2 152.9 558.9 585.1 47.3 46 70 A I E - C 0 182A 2 81,-0.3 81,-2.9 136,-0.2 2,-0.4 -0.985 4.2-169.5-141.2 126.9 561.8 586.7 45.4 47 71 A V E -DC 126 181A 2 134,-2.5 134,-2.7 -2,-0.4 2,-0.6 -0.954 13.1-149.8-123.5 137.4 563.7 589.7 46.6 48 72 A V E -DC 125 180A 0 77,-1.6 77,-2.5 -2,-0.4 2,-0.5 -0.925 15.9-152.0-105.0 121.2 566.3 591.9 44.8 49 73 A E E -DC 124 179A 4 130,-3.5 130,-2.1 -2,-0.6 2,-0.4 -0.830 15.3-177.7 -97.8 126.1 568.9 593.4 47.1 50 74 A F E -DC 123 178A 0 73,-2.1 73,-3.5 -2,-0.5 2,-0.5 -0.952 15.4-157.9-122.5 141.2 570.5 596.7 46.0 51 75 A V E +DC 122 177A 18 126,-1.9 126,-1.4 -2,-0.4 2,-0.3 -0.985 25.3 169.2-119.0 118.3 573.3 598.6 47.7 52 76 A L E -D 121 0A 5 69,-1.4 69,-1.7 -2,-0.5 2,-0.5 -0.865 27.5-137.7-127.3 160.9 573.3 602.3 46.8 53 77 A T E -D 120 0A 44 -2,-0.3 67,-0.2 121,-0.2 121,-0.1 -0.982 26.2-119.4-124.0 127.6 575.0 605.5 48.0 54 78 A K - 0 0 9 65,-3.5 64,-1.8 -2,-0.5 108,-0.2 -0.264 19.5-170.1 -61.1 148.4 573.2 608.8 48.3 55 79 A G + 0 0 23 106,-2.4 2,-0.2 62,-0.2 62,-0.2 0.420 68.5 23.1-119.8 -4.6 574.4 611.7 46.3 56 80 A G S S- 0 0 13 105,-0.6 2,-0.1 60,-0.2 3,-0.1 -0.560 81.3 -95.0-138.6-156.4 572.4 614.5 47.8 57 81 A N > - 0 0 78 1,-0.3 3,-1.4 59,-0.2 59,-0.2 -0.381 67.5 -19.1-118.0-163.9 570.6 615.4 51.0 58 82 A G T 3 S+ 0 0 44 56,-0.5 -1,-0.3 1,-0.2 219,-0.1 -0.008 126.9 10.1 -41.6 135.6 567.1 615.3 52.5 59 83 A G T 3 S+ 0 0 33 52,-0.2 218,-2.5 218,-0.1 219,-0.3 0.690 93.7 110.9 66.6 22.7 564.3 615.0 50.0 60 84 A T < + 0 0 31 -3,-1.4 2,-0.3 216,-0.2 -2,-0.1 0.380 65.6 70.1-105.5 2.0 566.6 614.3 47.1 61 85 A T - 0 0 4 50,-0.2 2,-0.2 -4,-0.1 100,-0.1 -0.900 51.2-178.2-123.2 148.5 565.5 610.7 46.7 62 86 A Y S S- 0 0 25 98,-0.5 5,-0.2 -2,-0.3 187,-0.1 -0.689 74.6 -44.2-147.8 91.9 562.3 609.1 45.5 63 87 A Y S > S+ 0 0 16 -2,-0.2 4,-2.7 48,-0.1 5,-0.2 0.905 73.3 170.0 50.5 51.7 562.0 605.3 45.5 64 88 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 46,-0.2 0.884 73.3 49.7 -55.6 -50.1 565.6 604.8 44.0 65 89 A A H > S+ 0 0 0 44,-2.0 4,-0.9 2,-0.2 45,-0.1 0.852 113.0 49.0 -62.6 -33.9 565.8 601.1 44.5 66 90 A E H >4 S+ 0 0 0 43,-0.6 3,-0.9 2,-0.2 -1,-0.2 0.957 112.6 45.1 -70.9 -51.0 562.4 600.7 42.9 67 91 A E H 3< S+ 0 0 29 -4,-2.7 89,-0.3 1,-0.2 -2,-0.2 0.850 102.6 67.9 -60.4 -33.6 563.2 602.8 39.9 68 92 A L H 3< S+ 0 0 0 -4,-2.5 88,-1.9 1,-0.2 2,-1.8 0.855 88.8 67.4 -54.3 -37.9 566.5 601.0 39.6 69 93 A L E << +G 155 0B 1 -3,-0.9 -1,-0.2 -4,-0.9 86,-0.2 -0.608 66.9 170.3 -85.9 80.1 564.6 597.8 38.6 70 94 A Q E + 0 0 72 -2,-1.8 16,-2.5 84,-1.2 2,-0.3 0.890 61.9 1.9 -59.7 -44.7 563.4 599.2 35.3 71 95 A D E -GH 154 85B 22 83,-1.2 83,-1.4 14,-0.2 2,-0.3 -0.983 55.5-167.6-145.4 154.7 561.9 595.9 34.0 72 96 A V E -GH 153 84B 1 12,-1.9 12,-2.6 -2,-0.3 2,-0.5 -0.945 8.2-167.9-146.7 119.2 561.5 592.3 35.2 73 97 A E E -GH 152 83B 37 79,-1.8 79,-1.9 -2,-0.3 2,-0.6 -0.929 8.5-154.7-114.4 129.4 560.6 589.5 32.9 74 98 A L E -GH 151 82B 1 8,-3.1 7,-3.1 -2,-0.5 8,-1.5 -0.913 20.1-179.8-103.0 120.1 559.5 586.1 34.2 75 99 A E E -GH 150 80B 24 75,-3.0 75,-3.1 -2,-0.6 2,-0.4 -0.967 12.0-170.0-123.9 137.5 560.2 583.3 31.6 76 100 A I E > S-GH 149 79B 1 3,-3.3 3,-1.9 -2,-0.4 73,-0.2 -0.988 75.7 -11.0-129.5 122.8 559.5 579.6 31.9 77 101 A G T 3 S- 0 0 28 71,-3.0 -1,-0.1 -2,-0.4 72,-0.1 0.831 131.0 -52.6 61.1 33.7 560.7 577.1 29.3 78 102 A G T 3 S+ 0 0 51 70,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.304 117.1 118.3 85.3 -9.5 561.8 579.9 27.0 79 103 A Q E < -H 76 0B 76 -3,-1.9 -3,-3.3 1,-0.0 2,-0.6 -0.768 67.2-126.0 -98.7 133.9 558.2 581.4 27.2 80 104 A R E +H 75 0B 119 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.624 28.5 176.5 -76.2 118.7 557.5 584.8 28.7 81 105 A I E - 0 0 2 -7,-3.1 2,-0.3 -2,-0.6 -6,-0.2 0.854 62.9 -19.9 -90.6 -41.3 554.9 584.4 31.4 82 106 A D E -H 74 0B 8 -8,-1.5 -8,-3.1 124,-0.1 -1,-0.4 -0.984 52.4-153.5-163.6 159.6 554.8 588.0 32.6 83 107 A K E -H 73 0B 51 124,-0.3 -10,-0.2 -2,-0.3 2,-0.2 -0.954 10.8-166.4-147.0 122.8 556.7 591.3 32.6 84 108 A H E -H 72 0B 1 -12,-2.6 -12,-1.9 -2,-0.4 2,-0.3 -0.652 8.7-146.6-106.0 164.9 556.6 594.1 35.1 85 109 A Y E > -H 71 0B 56 -2,-0.2 4,-2.1 -14,-0.2 3,-0.5 -0.887 28.8-108.9-133.5 163.2 557.9 597.7 34.9 86 110 A N H > S+ 0 0 17 -16,-2.5 4,-1.5 -2,-0.3 3,-0.2 0.923 121.1 44.4 -46.2 -58.9 559.4 600.5 36.9 87 111 A D H > S+ 0 0 18 1,-0.2 4,-2.1 -17,-0.2 -1,-0.3 0.718 106.3 61.9 -66.6 -22.0 556.2 602.5 36.7 88 112 A W H > S+ 0 0 1 -3,-0.5 4,-3.6 2,-0.2 5,-0.2 0.929 102.7 50.2 -69.9 -43.9 554.0 599.5 37.4 89 113 A F H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.926 110.9 49.0 -57.3 -45.7 555.6 599.1 40.8 90 114 A R H X S+ 0 0 9 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.941 116.3 43.0 -60.3 -47.2 555.0 602.8 41.6 91 115 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.882 112.2 52.9 -66.2 -41.3 551.4 602.5 40.5 92 116 A Y H X>S+ 0 0 28 -4,-3.6 4,-2.6 1,-0.2 5,-0.9 0.927 111.4 47.5 -60.5 -43.6 550.9 599.2 42.3 93 117 A D H X5S+ 0 0 2 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.903 110.6 50.6 -63.8 -43.2 552.2 600.8 45.5 94 118 A A H <5S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.816 122.9 32.3 -65.3 -30.2 550.0 603.8 45.1 95 119 A L H <5S+ 0 0 3 -4,-1.9 -2,-0.2 -5,-0.2 226,-0.2 0.938 130.2 18.4 -93.3 -58.9 547.0 601.6 44.6 96 120 A F H <5S+ 0 0 21 -4,-2.6 -3,-0.2 -5,-0.2 2,-0.2 0.684 103.8 76.4 -95.7 -20.8 547.2 598.3 46.5 97 121 A R << + 0 0 7 -5,-0.9 225,-0.3 -4,-0.5 2,-0.3 -0.584 62.8 165.7 -86.6 156.6 549.8 598.8 49.2 98 122 A M >> - 0 0 48 -2,-0.2 4,-1.6 223,-0.1 3,-0.8 -0.998 30.4 -0.5-163.8 166.0 548.7 600.9 52.3 99 123 A N H 3> S- 0 0 31 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 -0.108 119.0 -12.8 53.3-142.5 549.3 602.0 55.9 100 124 A D H 3> S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.839 136.0 58.8 -60.5 -36.0 552.3 600.7 57.8 101 125 A D H <> S+ 0 0 39 -3,-0.8 4,-2.1 633,-0.4 -1,-0.2 0.938 106.8 48.1 -59.2 -44.8 553.0 598.0 55.1 102 126 A R H X S+ 0 0 23 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.833 111.2 49.6 -65.7 -33.3 553.3 600.7 52.5 103 127 A Y H X S+ 0 0 77 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.879 109.0 52.6 -72.6 -36.7 555.7 602.7 54.7 104 128 A N H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.892 105.7 55.4 -65.4 -36.1 557.7 599.6 55.3 105 129 A Y H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.872 106.9 49.6 -63.8 -35.7 557.9 599.2 51.5 106 130 A R H X S+ 0 0 50 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.850 106.2 55.6 -71.6 -33.2 559.3 602.7 51.3 107 131 A R H < S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.9 47.7 -64.2 -32.9 561.9 601.9 53.9 108 132 A M H < S+ 0 0 0 -4,-1.6 16,-2.1 -5,-0.2 -1,-0.2 0.697 117.6 42.1 -79.8 -19.6 562.9 599.0 51.7 109 133 A T H < S- 0 0 0 -4,-0.9 -44,-2.0 -3,-0.2 -43,-0.6 0.558 120.4 -12.2-108.1 -12.7 563.1 601.2 48.6 110 134 A D S < S- 0 0 0 -4,-1.9 2,-0.5 -47,-0.2 -1,-0.1 -0.974 80.0 -60.4-168.3-175.1 564.7 604.5 49.7 111 135 A W + 0 0 16 -2,-0.3 -52,-0.2 1,-0.1 -50,-0.2 -0.718 42.4 161.0 -83.9 124.7 566.0 606.8 52.4 112 136 A V + 0 0 31 -2,-0.5 -1,-0.1 -5,-0.1 585,-0.1 0.169 59.6 77.4-127.5 13.1 563.3 608.0 54.7 113 137 A N S S- 0 0 29 674,-0.1 -1,-0.1 583,-0.1 -55,-0.1 -0.012 109.0-101.9-115.3 28.9 565.5 609.2 57.6 114 138 A N - 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0 0 7 -81,-2.9 -81,-0.3 -2,-0.3 -55,-0.0 -0.290 13.8-155.6 -69.3 159.5 559.0 591.0 43.2 128 152 A I + 0 0 5 -83,-0.1 -1,-0.1 5,-0.0 5,-0.1 -0.075 37.9 134.8-134.1 41.2 555.2 590.7 42.6 129 153 A F S >> S- 0 0 2 1,-0.1 3,-1.3 -47,-0.1 4,-0.7 -0.242 74.7 -84.4 -78.0 175.6 554.5 588.0 40.0 130 154 A F H >> S+ 0 0 5 75,-0.4 3,-0.9 1,-0.3 4,-0.7 0.883 129.8 42.8 -50.9 -46.4 551.7 585.5 40.6 131 155 A F H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.603 106.6 62.6 -79.6 -8.6 553.8 583.1 42.7 132 156 A N H <4 S+ 0 0 9 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.570 104.7 49.5 -87.9 -9.5 555.4 585.9 44.7 133 157 A Q H << S+ 0 0 53 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.1 0.659 115.4 26.4-105.2 -18.3 552.0 587.0 46.0 134 158 A T >< - 0 0 26 -4,-0.7 3,-2.1 1,-0.1 -1,-0.3 -0.962 55.0-148.0-147.5 127.2 550.4 583.8 47.3 135 159 A P G > S+ 0 0 47 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.758 100.1 73.3 -66.1 -14.2 551.9 580.6 48.6 136 160 A G G 3 S+ 0 0 3 1,-0.3 697,-1.5 696,-0.1 695,-0.1 0.700 100.8 41.9 -68.7 -17.2 548.8 579.0 47.1 137 161 A L G < S+ 0 0 7 -3,-2.1 -1,-0.3 -7,-0.2 694,-0.1 0.195 81.7 160.1-112.0 13.3 550.3 579.6 43.7 138 162 A A < - 0 0 0 -3,-1.4 -94,-0.2 1,-0.1 -6,-0.1 -0.052 49.0-111.0 -39.4 125.9 553.9 578.6 44.6 139 163 A L E -B 43 0A 1 -96,-1.7 -96,-1.8 -8,-0.1 2,-1.3 -0.474 26.9-134.6 -67.1 123.5 555.8 577.8 41.3 140 164 A P E > +B 42 0A 0 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.612 30.1 172.0 -85.5 88.1 556.4 574.0 41.2 141 165 A L G > S+ 0 0 2 -2,-1.3 3,-2.2 -100,-0.8 -99,-0.2 0.907 78.1 62.4 -59.8 -43.2 560.1 573.5 40.1 142 166 A I G 3 S+ 0 0 24 -101,-2.0 -1,-0.3 1,-0.3 3,-0.2 0.625 107.2 47.1 -58.6 -11.1 559.9 569.8 40.8 143 167 A A G < S+ 0 0 7 -3,-1.6 262,-0.4 -102,-0.3 -1,-0.3 0.473 103.6 61.4-106.9 -6.8 557.3 569.7 38.1 144 168 A L X + 0 0 0 -3,-2.2 3,-1.8 -4,-0.4 -1,-0.1 -0.245 61.4 146.8-113.0 40.3 559.2 571.8 35.6 145 169 A Q T 3 S+ 0 0 126 1,-0.3 -1,-0.2 -3,-0.2 261,-0.1 0.764 76.4 34.9 -47.6 -38.1 562.1 569.5 35.2 146 170 A Y T 3 S+ 0 0 151 259,-2.2 2,-0.5 -3,-0.2 -1,-0.3 0.359 106.1 84.2-102.0 6.2 562.7 570.3 31.5 147 171 A H < - 0 0 33 -3,-1.8 2,-0.3 258,-0.6 -3,-0.1 -0.936 69.9-140.9-115.5 128.8 561.8 573.9 31.8 148 172 A E - 0 0 56 -2,-0.5 -71,-3.0 -113,-0.0 2,-0.6 -0.638 9.9-147.6 -82.1 137.8 564.1 576.6 32.9 149 173 A V E + G 0 76B 3 -113,-0.3 -113,-2.4 -2,-0.3 2,-0.3 -0.944 28.9 176.1-108.2 112.9 562.6 579.3 35.1 150 174 A K E -FG 35 75B 23 -75,-3.1 -75,-3.0 -2,-0.6 2,-0.4 -0.896 25.8-155.3-126.3 153.7 564.4 582.6 34.4 151 175 A L E -FG 34 74B 0 -117,-2.3 -117,-2.5 -2,-0.3 2,-0.5 -0.977 9.9-160.4-121.6 133.7 564.2 586.3 35.4 152 176 A Y E -FG 33 73B 77 -79,-1.9 -79,-1.8 -2,-0.4 2,-0.3 -0.959 11.8-170.4-119.6 114.7 565.5 589.1 33.1 153 177 A F E -FG 32 72B 1 -121,-2.2 -121,-1.8 -2,-0.5 2,-0.4 -0.732 12.4-162.8-105.3 153.8 566.2 592.4 34.7 154 178 A T E -FG 31 71B 16 -83,-1.4 -83,-1.2 -2,-0.3 -84,-1.2 -0.987 16.3-145.7-134.1 120.1 567.1 595.8 33.1 155 179 A L E - G 0 69B 2 -125,-2.3 -126,-0.3 -2,-0.4 -86,-0.2 -0.711 22.1-111.2 -90.5 136.6 568.6 598.4 35.4 156 180 A A - 0 0 3 -88,-1.9 -127,-2.1 -2,-0.4 -126,-0.3 -0.154 15.5-144.5 -58.8 158.6 567.9 602.1 34.9 157 181 A S S S+ 0 0 68 -129,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.813 83.5 34.3 -96.6 -35.1 570.7 604.3 33.6 158 182 A Q + 0 0 90 5,-0.1 2,-0.5 11,-0.0 -1,-0.3 -0.972 61.1 178.1-127.4 122.4 569.8 607.4 35.6 159 183 A V >>> - 0 0 1 -2,-0.5 4,-2.5 -3,-0.1 3,-2.1 -0.947 32.4-120.9-126.3 110.6 568.4 607.5 39.1 160 184 A Q B 345S+i 164 0C 31 -2,-0.5 -98,-0.5 1,-0.3 5,-0.2 -0.159 95.0 14.8 -48.6 132.6 567.8 610.9 40.7 161 185 A G T 345S+ 0 0 0 3,-2.9 -106,-2.4 -100,-0.1 -105,-0.6 0.389 130.7 49.1 82.2 -3.6 569.7 611.4 44.0 162 186 A V T <45S+ 0 0 5 -3,-2.1 -2,-0.2 2,-0.4 12,-0.2 0.609 129.7 6.0-124.5 -58.1 572.0 608.5 43.4 163 187 A N T <5S+ 0 0 17 -4,-2.5 7,-2.2 1,-0.2 2,-0.3 0.797 129.5 22.2 -97.5 -45.4 573.4 608.7 39.9 164 188 A Y E < -iJ 160 169C 53 -5,-1.3 -3,-2.9 5,-0.2 2,-0.4 -0.820 51.4-147.0-128.8 165.7 572.1 612.1 38.8 165 189 A N E > S- J 0 168C 90 3,-1.9 3,-2.0 -2,-0.3 2,-0.5 -0.909 84.0 -47.5-130.7 98.2 570.8 615.4 40.0 166 190 A G T 3 S- 0 0 39 -2,-0.4 -2,-0.0 1,-0.3 -5,-0.0 -0.631 122.2 -29.2 72.4-123.8 568.3 616.5 37.4 167 191 A S T 3 S+ 0 0 106 -2,-0.5 2,-0.6 -3,-0.1 -1,-0.3 0.297 116.8 103.6-106.9 7.9 570.2 615.9 34.1 168 192 A S E < S-J 165 0C 75 -3,-2.0 -3,-1.9 1,-0.0 0, 0.0 -0.821 71.9-128.9 -96.8 116.1 573.6 616.5 35.6 169 193 A A E -J 164 0C 69 -2,-0.6 2,-0.6 -5,-0.2 -5,-0.2 -0.245 22.0-126.7 -57.6 149.4 575.7 613.3 36.3 170 194 A I > - 0 0 47 -7,-2.2 3,-1.3 -8,-0.0 -1,-0.1 -0.912 21.8-126.9-105.2 121.2 577.1 613.1 39.8 171 195 A A T 3 S+ 0 0 100 -2,-0.6 3,-0.1 1,-0.2 -7,-0.0 -0.337 90.4 21.4 -67.5 144.3 580.8 612.6 40.0 172 196 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.2 -2,-0.0 -2,-0.0 0.247 82.1 160.0 85.2 -15.2 582.1 609.7 42.1 173 197 A A < - 0 0 40 -3,-1.3 -1,-0.3 -10,-0.2 2,-0.2 -0.144 37.7-128.7 -44.0 123.4 578.7 608.0 41.9 174 198 A A - 0 0 44 -12,-0.2 -121,-0.2 -121,-0.1 -1,-0.1 -0.526 17.4-112.0 -81.5 144.0 579.3 604.3 42.8 175 199 A Q - 0 0 126 -2,-0.2 -1,-0.1 1,-0.1 -148,-0.1 -0.461 45.7-102.5 -69.0 145.1 578.0 601.6 40.5 176 200 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -124,-0.2 -0.265 25.1-136.8 -70.2 159.2 575.1 599.7 42.2 177 201 A T E - C 0 51A 73 -126,-1.4 -126,-1.9 -3,-0.1 2,-0.4 -0.949 23.4-164.5-115.0 136.6 575.5 596.3 43.8 178 202 A M E + C 0 50A 21 -2,-0.4 2,-0.3 -128,-0.2 -128,-0.2 -0.952 14.3 176.7-130.5 147.5 572.9 593.7 43.3 179 203 A S E - C 0 49A 14 -130,-2.1 -130,-3.5 -2,-0.4 2,-0.5 -0.996 14.8-150.1-144.2 143.7 571.8 590.4 44.8 180 204 A V E - 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0 0 48 -2,-0.2 4,-1.6 223,-0.1 3,-0.8 -0.998 30.5 -0.4-163.8 166.0 550.2 598.1 63.6 513 123 B N H 3> S- 0 0 32 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 -0.109 119.0 -12.8 53.3-142.5 548.5 601.2 62.3 514 124 B D H 3> S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.839 136.0 58.8 -60.4 -36.1 545.7 602.8 64.3 515 125 B D H <> S+ 0 0 40 -3,-0.8 4,-2.1 633,-0.4 -1,-0.2 0.938 106.8 48.1 -59.0 -45.0 545.4 599.7 66.5 516 126 B R H X S+ 0 0 24 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.834 111.2 49.6 -65.6 -33.4 549.0 600.2 67.5 517 127 B Y H X S+ 0 0 79 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.879 109.0 52.6 -72.5 -36.7 548.4 603.9 68.2 518 128 B N H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.893 105.7 55.3 -65.4 -36.2 545.4 603.0 70.3 519 129 B Y H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.872 106.9 49.6 -63.7 -35.7 547.6 600.6 72.3 520 130 B R H X S+ 0 0 50 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.850 106.2 55.6 -71.6 -33.1 550.0 603.5 73.0 521 131 B R H < S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.846 109.9 47.7 -64.2 -33.0 547.1 605.6 74.2 522 132 B M H < S+ 0 0 0 -4,-1.6 16,-2.1 -5,-0.2 -1,-0.2 0.697 117.6 42.1 -79.7 -19.7 546.3 602.8 76.6 523 133 B T H < S- 0 0 0 -4,-0.9 -44,-2.0 -3,-0.2 -43,-0.6 0.557 120.4 -12.2-108.1 -12.7 549.9 602.5 77.8 524 134 B D S < S- 0 0 0 -4,-1.9 2,-0.5 -47,-0.2 -1,-0.1 -0.975 80.0 -60.4-168.2-175.1 551.1 606.1 78.2 525 135 B W + 0 0 15 -2,-0.3 -52,-0.2 1,-0.1 -50,-0.2 -0.716 42.4 161.0 -83.8 124.6 550.7 609.9 77.7 526 136 B V + 0 0 32 -2,-0.5 -1,-0.1 -5,-0.1 585,-0.1 0.171 59.6 77.3-127.4 13.1 550.6 610.9 74.0 527 137 B N S S- 0 0 30 674,-0.1 -1,-0.1 583,-0.1 -55,-0.1 -0.012 109.0-101.9-115.3 28.9 549.0 614.3 74.4 528 138 B N - 0 0 115 1,-0.1 -56,-0.5 -3,-0.1 673,-0.1 0.658 60.1-179.9 61.6 16.8 552.1 616.3 75.5 529 139 B E - 0 0 11 -58,-0.1 673,-0.2 1,-0.1 -1,-0.1 -0.006 14.2-135.8 -45.6 152.3 550.7 616.2 79.1 530 140 B L > - 0 0 50 671,-3.6 3,-1.8 1,-0.2 -62,-0.2 -0.295 37.0 -50.7-105.5-173.0 552.7 617.9 81.8 531 141 B V T 3 S+ 0 0 78 1,-0.2 -1,-0.2 -62,-0.2 -62,-0.2 -0.253 123.5 24.3 -55.4 145.6 553.9 617.2 85.4 532 142 B G T 3 S+ 0 0 34 -64,-1.8 -1,-0.2 1,-0.3 2,-0.1 0.298 82.2 144.2 80.6 -12.6 551.1 616.1 87.6 533 143 B A < - 0 0 4 -3,-1.8 -65,-3.5 668,-0.2 2,-0.5 -0.431 34.1-158.2 -64.2 132.0 548.9 614.7 84.9 534 144 B Q E +X 467 0G 52 669,-3.4 2,-0.3 -67,-0.2 -67,-0.2 -0.967 16.2 173.5-118.2 127.4 547.0 611.7 86.1 535 145 B K E -X 466 0G 21 -69,-1.7 -69,-1.4 -2,-0.5 2,-0.5 -0.839 32.8-115.6-132.1 166.2 545.6 609.1 83.6 536 146 B R E -X 465 0G 44 -2,-0.3 2,-0.4 -71,-0.2 -71,-0.2 -0.885 32.9-161.9-101.1 125.3 543.9 605.7 83.4 537 147 B F E -X 464 0G 0 -73,-3.5 -73,-2.1 -2,-0.5 2,-0.5 -0.863 8.7-159.4-113.8 148.0 546.0 603.0 81.6 538 148 B Y E -X 463 0G 0 -16,-2.1 -75,-0.2 -2,-0.4 -58,-0.1 -0.960 4.3-172.5-126.4 112.0 544.8 599.7 80.1 539 149 B V E -X 462 0G 0 -77,-2.6 -77,-1.6 -2,-0.5 2,-0.3 -0.851 16.4-150.6-106.1 99.9 547.3 596.9 79.6 540 150 B P E -X 461 0G 6 0, 0.0 -79,-0.2 0, 0.0 -2,-0.0 -0.523 15.7-128.8 -70.9 125.7 545.6 594.0 77.6 541 151 B L - 0 0 6 -81,-2.9 -81,-0.3 -2,-0.3 -55,-0.0 -0.291 13.8-155.6 -69.3 159.5 547.0 590.6 78.4 542 152 B I + 0 0 5 -83,-0.1 -1,-0.1 5,-0.0 5,-0.1 -0.076 37.9 134.8-134.1 41.2 548.0 588.4 75.5 543 153 B F S >> S- 0 0 3 1,-0.1 3,-1.3 -47,-0.1 4,-0.7 -0.244 74.7 -84.4 -77.9 175.6 548.0 584.8 76.5 544 154 B F H >> S+ 0 0 4 75,-0.4 3,-0.9 1,-0.3 4,-0.7 0.883 129.8 42.8 -50.8 -46.4 546.4 582.1 74.2 545 155 B F H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.604 106.6 62.5 -79.7 -8.5 542.8 582.7 75.4 546 156 B N H <4 S+ 0 0 8 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.571 104.7 49.5 -88.0 -9.4 543.2 586.5 75.4 547 157 B Q H << S+ 0 0 57 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.1 0.660 115.4 26.3-105.3 -18.3 543.8 586.4 71.7 548 158 B T >< - 0 0 27 -4,-0.7 3,-2.1 1,-0.1 -1,-0.3 -0.962 55.0-148.0-147.5 127.3 541.0 584.3 70.2 549 159 B P G > S+ 0 0 44 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.759 100.1 73.4 -66.1 -14.3 537.5 583.6 71.5 550 160 B G G 3 S+ 0 0 1 1,-0.3 -545,-1.5 -546,-0.1 -547,-0.1 0.701 100.8 41.9 -68.5 -17.2 538.0 580.3 69.8 551 161 B L G < S+ 0 0 9 -3,-2.1 -1,-0.3 -7,-0.2 -548,-0.1 0.194 81.7 160.1-111.9 13.3 540.4 579.3 72.6 552 162 B A < - 0 0 0 -3,-1.4 -94,-0.2 1,-0.1 -6,-0.1 -0.054 49.0-110.9 -39.4 125.9 538.3 580.8 75.4 553 163 B L E -V 457 0G 1 -96,-1.7 -96,-1.8 -8,-0.1 2,-1.3 -0.474 26.9-134.6 -66.9 123.3 539.5 579.1 78.7 554 164 B P E > +V 456 0G 0 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.613 30.1 172.0 -85.3 88.1 536.7 576.8 80.0 555 165 B L G > S+ 0 0 2 -2,-1.3 3,-2.2 -100,-0.8 -99,-0.2 0.907 78.1 62.4 -59.7 -43.3 536.3 577.4 83.7 556 166 B I G 3 S+ 0 0 25 -101,-2.0 -1,-0.3 1,-0.3 3,-0.2 0.625 107.2 47.1 -58.6 -11.1 533.2 575.2 83.9 557 167 B A G < S+ 0 0 8 -3,-1.6 262,-0.4 -102,-0.3 -1,-0.3 0.473 103.6 61.3-106.8 -6.9 535.5 572.4 82.8 558 168 B L X + 0 0 0 -3,-2.2 3,-1.9 -4,-0.4 -1,-0.1 -0.245 61.4 146.8-112.9 40.3 538.3 573.2 85.3 559 169 B Q T 3 S+ 0 0 129 1,-0.3 -1,-0.2 -3,-0.2 261,-0.1 0.764 76.4 34.9 -47.7 -38.0 536.3 572.7 88.4 560 170 B Y T 3 S+ 0 0 150 259,-2.2 2,-0.5 -3,-0.2 -1,-0.3 0.358 106.1 84.2-102.0 6.2 539.2 571.4 90.6 561 171 B H < - 0 0 34 -3,-1.9 2,-0.3 258,-0.6 -3,-0.1 -0.937 69.9-140.9-115.5 128.8 541.8 573.5 89.0 562 172 B E - 0 0 55 -2,-0.5 -71,-3.0 -113,-0.0 2,-0.6 -0.638 10.0-147.6 -82.1 137.8 542.5 577.1 90.1 563 173 B V E + A 0 490H 4 -113,-0.3 -113,-2.4 -2,-0.3 2,-0.3 -0.944 28.9 176.1-108.2 112.9 543.3 579.6 87.3 564 174 B K E -ZA 449 489H 25 -75,-3.1 -75,-3.0 -2,-0.6 2,-0.4 -0.896 25.8-155.3-126.2 153.6 545.8 582.1 88.6 565 175 B L E -ZA 448 488H 0 -117,-2.3 -117,-2.5 -2,-0.3 2,-0.5 -0.977 9.9-160.4-121.5 133.8 547.7 585.1 87.4 566 176 B Y E -ZA 447 487H 78 -79,-1.9 -79,-1.8 -2,-0.4 2,-0.3 -0.959 11.8-170.3-119.7 114.6 551.0 586.3 89.1 567 177 B F E -ZA 446 486H 1 -121,-2.2 -121,-1.8 -2,-0.5 2,-0.4 -0.734 12.4-162.8-105.1 153.9 552.1 589.8 88.4 568 178 B T E -ZA 445 485H 19 -83,-1.4 -83,-1.2 -2,-0.3 -84,-1.2 -0.988 16.3-145.7-134.1 120.0 555.4 591.5 89.3 569 179 B L E - A 0 483H 2 -125,-2.3 -126,-0.3 -2,-0.4 -86,-0.2 -0.712 22.2-111.2 -90.6 136.6 555.4 595.3 89.2 570 180 B A - 0 0 3 -88,-1.9 -127,-2.1 -2,-0.4 -126,-0.3 -0.153 15.5-144.4 -58.7 158.6 558.5 597.2 88.1 571 181 B S S S+ 0 0 69 -129,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.813 83.5 34.3 -96.5 -35.0 560.3 599.2 90.8 572 182 B Q + 0 0 86 5,-0.1 2,-0.5 11,-0.0 -1,-0.3 -0.972 61.1 178.1-127.5 122.3 561.5 602.1 88.6 573 183 B V >>> - 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