==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-OCT-03 1O67 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YIIM; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR STRUCTURAL GENOMIX . 638 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 26 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 4 1 2 4 7 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 10 6 8 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 0 0 0 1 2 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 4 A F 0 0 153 0, 0.0 4,-0.2 0, 0.0 154,-0.0 0.000 360.0 360.0 360.0 86.1 23.0 51.3 28.9 2 5 A L > + 0 0 37 2,-0.1 4,-0.7 3,-0.1 3,-0.4 0.609 360.0 76.3-107.6 -22.0 20.6 50.2 31.6 3 6 A V T >4>S+ 0 0 21 1,-0.2 3,-0.8 2,-0.2 5,-0.6 0.832 85.4 64.4 -62.3 -31.9 18.7 53.5 31.8 4 7 A E G >45S+ 0 0 71 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.968 106.3 45.0 -51.9 -47.8 16.9 52.7 28.6 5 8 A R G 345S+ 0 0 205 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.612 95.2 75.7 -75.8 -11.0 15.4 49.8 30.5 6 9 A E G <<5S- 0 0 42 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.509 94.4-134.6 -77.5 -8.7 14.5 51.8 33.6 7 10 A Q T < 5 - 0 0 130 -3,-1.1 -3,-0.1 -4,-0.4 -2,-0.1 0.906 24.8-159.0 53.7 52.4 11.6 53.4 31.8 8 11 A X < - 0 0 39 -5,-0.6 144,-1.5 144,-0.2 2,-0.4 -0.345 11.2-173.2 -62.0 133.8 12.4 56.9 33.0 9 12 A R E -A 151 0A 141 142,-0.2 142,-0.2 -2,-0.0 -1,-0.0 -0.991 7.2-172.9-138.4 124.2 9.3 59.2 32.7 10 13 A Y E -A 150 0A 39 140,-1.8 140,-2.1 -2,-0.4 72,-0.0 -0.951 20.4-133.7-127.8 117.6 9.2 63.0 33.3 11 14 A P - 0 0 97 0, 0.0 70,-0.5 0, 0.0 2,-0.4 -0.269 29.4-161.1 -58.4 148.4 6.1 65.2 33.5 12 15 A V - 0 0 4 134,-0.3 2,-0.4 136,-0.2 68,-0.2 -0.992 18.8-140.2-141.1 136.5 6.5 68.4 31.5 13 16 A D E -B 79 0A 52 66,-2.9 66,-2.2 -2,-0.4 2,-0.3 -0.813 28.1-147.2 -89.3 145.5 4.8 71.8 31.3 14 17 A V E -BC 78 24A 0 10,-0.5 10,-1.9 -2,-0.4 2,-0.3 -0.853 16.9-178.6-117.1 142.4 4.3 73.1 27.7 15 18 A Y E - C 0 23A 19 62,-1.4 2,-0.3 -2,-0.3 8,-0.2 -0.998 2.7-176.7-140.9 139.3 4.4 76.7 26.3 16 19 A T E - C 0 22A 22 6,-2.7 6,-3.7 -2,-0.3 2,-0.4 -0.943 22.8-110.0-132.2 163.2 3.9 78.3 22.9 17 20 A G E C 0 21A 9 -2,-0.3 4,-0.3 4,-0.3 60,-0.0 -0.782 360.0 360.0-115.9 145.4 4.1 81.8 21.5 18 21 A K 0 0 125 2,-2.2 3,-0.1 -2,-0.4 -1,-0.1 -0.073 360.0 360.0-131.9 360.0 2.0 84.7 20.2 19 ! 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 20 34 A A 0 0 107 0, 0.0 -2,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -74.0 5.2 85.6 24.0 21 35 A K E -C 17 0A 40 -4,-0.3 2,-0.3 51,-0.2 -4,-0.3 -0.560 360.0-177.0 -85.0 126.7 5.1 82.1 25.4 22 36 A I E -C 16 0A 109 -6,-3.7 -6,-2.7 -2,-0.4 2,-0.1 -0.914 32.8 -98.1-121.7 145.7 1.8 81.0 27.0 23 37 A Q E -C 15 0A 87 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.3 -0.407 32.7-147.2 -69.3 137.5 1.0 77.7 28.7 24 38 A V E -C 14 0A 23 -10,-1.9 -10,-0.5 -2,-0.1 4,-0.1 -0.843 13.8-175.3-101.1 142.8 -0.8 75.0 26.7 25 39 A D + 0 0 128 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.752 58.1 33.9-116.4 -29.9 -3.2 72.6 28.3 26 40 A G S S- 0 0 43 1,-0.2 120,-1.6 120,-0.1 2,-0.4 0.186 99.0 -52.6-101.3-136.0 -4.6 70.0 25.9 27 41 A E E +I 145 0B 123 118,-0.2 2,-0.3 119,-0.1 118,-0.2 -0.834 51.9 172.6-107.7 139.6 -3.1 68.2 23.0 28 42 A L E -I 144 0B 16 116,-1.4 116,-2.1 -2,-0.4 2,-0.3 -0.853 36.5 -92.2-136.6 168.8 -1.5 69.8 20.0 29 43 A X E -I 143 0B 59 -2,-0.3 7,-2.0 114,-0.2 2,-0.7 -0.728 23.3-152.3 -85.1 135.5 0.4 68.7 16.9 30 44 A L E -IJ 142 35B 0 112,-2.5 112,-2.0 -2,-0.3 2,-0.2 -0.965 25.2-178.9-106.0 103.3 4.2 68.4 17.1 31 45 A T E > - J 0 34B 57 3,-2.1 3,-3.2 -2,-0.7 107,-0.1 -0.681 46.1 -91.3 -95.5 167.4 5.3 68.9 13.4 32 46 A E T 3 S+ 0 0 109 1,-0.3 106,-0.5 -2,-0.2 14,-0.2 0.677 127.3 48.7 -49.4 -29.1 8.9 68.8 12.1 33 47 A L T 3 S- 0 0 102 1,-0.4 -1,-0.3 104,-0.1 2,-0.3 0.428 122.2 -89.9 -96.3 2.3 9.2 72.6 12.7 34 48 A G E < S-J 31 0B 4 -3,-3.2 -3,-2.1 4,-0.1 -1,-0.4 -0.774 70.8 -11.4 123.6-172.2 7.8 72.7 16.2 35 49 A L E > S-J 30 0B 8 11,-0.4 3,-2.0 -2,-0.3 2,-0.3 -0.315 72.0-103.8 -68.7 139.4 4.6 73.0 18.1 36 50 A E T 3 S+ 0 0 106 -7,-2.0 -1,-0.1 1,-0.3 3,-0.1 -0.538 110.3 23.4 -66.9 129.2 1.5 74.1 16.2 37 51 A G T 3 S+ 0 0 65 -2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.397 106.1 96.4 96.2 -1.9 0.8 77.7 17.0 38 52 A D < 0 0 31 -3,-2.0 -1,-0.1 1,-0.2 -22,-0.1 0.391 360.0 360.0 -88.9-135.0 4.4 78.4 18.0 39 53 A E 0 0 180 7,-0.1 -1,-0.2 -6,-0.1 -2,-0.1 0.003 360.0 360.0-147.6 360.0 7.0 79.9 15.5 40 ! 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 41 61 A G >> 0 0 71 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 38.7 19.0 75.0 11.3 42 62 A G G >4 + 0 0 42 1,-0.3 3,-1.1 2,-0.2 0, 0.0 0.734 360.0 45.8 -30.8 -63.3 15.2 74.9 11.7 43 63 A P G >4 S+ 0 0 55 0, 0.0 3,-1.0 0, 0.0 95,-0.7 0.882 111.3 53.5 -55.8 -41.5 14.7 71.1 12.1 44 64 A D G <4 S+ 0 0 20 -3,-1.2 60,-0.2 1,-0.2 -2,-0.2 0.632 115.7 40.0 -70.8 -18.2 17.5 70.9 14.6 45 65 A R G << S+ 0 0 119 -3,-1.1 -1,-0.2 -4,-0.8 92,-0.2 -0.075 72.1 122.2-123.3 32.9 16.0 73.6 16.8 46 66 A A S < S+ 0 0 9 -3,-1.0 -11,-0.4 90,-0.5 2,-0.4 0.732 76.5 35.9 -69.0 -25.4 12.3 72.9 16.7 47 67 A L E -D 136 0A 1 89,-1.5 89,-2.0 -4,-0.1 2,-0.4 -0.994 67.5-153.1-135.0 141.5 11.9 72.5 20.4 48 68 A C E -D 135 0A 15 -2,-0.4 30,-2.0 87,-0.2 29,-1.0 -0.819 7.8-165.4-114.1 144.5 13.5 74.3 23.4 49 69 A H E +De 134 78A 0 85,-2.5 85,-1.7 -2,-0.4 58,-0.2 -0.981 9.9 173.7-130.6 137.4 14.1 72.9 26.9 50 70 A Y E - e 0 79A 0 28,-1.9 30,-0.6 -2,-0.4 2,-0.2 -0.987 31.2-123.8-140.3 122.6 15.0 74.7 30.2 51 71 A P E > - e 0 80A 0 0, 0.0 3,-1.0 0, 0.0 4,-0.3 -0.487 10.1-140.6 -64.7 132.6 15.2 73.0 33.6 52 72 A R T >> S+ 0 0 62 28,-2.1 3,-1.7 1,-0.2 4,-0.6 0.856 97.1 72.7 -61.9 -31.8 12.9 74.5 36.3 53 73 A E H >> S+ 0 0 38 27,-0.4 3,-1.1 1,-0.3 4,-0.8 0.856 85.8 65.8 -47.0 -42.7 15.7 73.9 38.9 54 74 A H H <> S+ 0 0 12 -3,-1.0 4,-1.9 1,-0.2 -1,-0.3 0.775 87.3 68.3 -57.6 -26.7 17.7 76.8 37.3 55 75 A Y H <> S+ 0 0 19 -3,-1.7 4,-2.6 -4,-0.3 -1,-0.2 0.855 93.9 56.2 -64.7 -33.6 15.1 79.4 38.3 56 76 A L H < + 0 0 38 -4,-3.0 3,-2.2 -5,-0.1 -1,-0.2 -0.421 66.9 166.7-126.9 68.0 19.2 88.3 41.6 63 83 A P G > S+ 0 0 97 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.771 75.2 62.0 -47.2 -41.0 16.8 88.7 44.5 64 84 A E G 3 S+ 0 0 164 1,-0.2 3,-0.2 -3,-0.1 -5,-0.1 0.752 115.6 29.7 -59.1 -36.2 15.8 92.1 43.3 65 85 A Q G X> S+ 0 0 52 -3,-2.2 3,-1.7 -7,-0.2 4,-0.7 -0.066 78.2 131.3-119.3 41.4 14.3 90.7 40.0 66 86 A A G X4 + 0 0 35 -3,-1.2 3,-1.2 1,-0.3 -1,-0.1 0.847 67.1 61.8 -56.3 -38.5 13.3 87.3 41.3 67 87 A E G 34 S+ 0 0 141 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.592 95.0 60.2 -67.8 -18.8 9.8 87.6 39.8 68 88 A L G <4 S+ 0 0 72 -3,-1.7 2,-1.5 1,-0.2 -1,-0.3 0.752 90.3 79.5 -75.3 -26.5 11.2 87.9 36.2 69 89 A F << + 0 0 5 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.2 -0.518 66.2 106.2 -85.9 72.7 12.7 84.4 36.8 70 90 A V S > S- 0 0 86 -2,-1.5 3,-2.3 -3,-0.1 4,-0.0 -0.954 71.9 -50.6-142.9 149.6 9.8 82.0 36.2 71 91 A A T 3 S+ 0 0 25 1,-0.4 8,-0.0 -2,-0.3 -19,-0.0 -0.367 121.2 21.8 -61.4 143.1 9.1 79.7 33.3 72 92 A P T > S+ 0 0 28 0, 0.0 3,-1.7 0, 0.0 -1,-0.4 -0.532 87.2 111.3-106.0 67.6 9.0 80.4 30.6 73 93 A A T < S+ 0 0 17 -3,-2.3 -2,-0.1 1,-0.3 -4,-0.0 0.762 80.5 55.3 -65.6 -26.7 11.2 83.4 31.0 74 94 A F T 3 S- 0 0 1 -24,-0.0 -1,-0.3 -4,-0.0 -3,-0.1 0.315 120.5-104.1 -88.3 5.0 14.1 81.9 29.0 75 95 A G < + 0 0 33 -3,-1.7 -27,-0.1 1,-0.2 -2,-0.1 0.322 65.9 157.4 93.8 -3.9 11.9 81.1 26.0 76 96 A E - 0 0 0 1,-0.1 -1,-0.2 -29,-0.1 -27,-0.2 -0.098 39.2-160.0 -60.7 148.6 11.5 77.4 26.5 77 97 A N S S+ 0 0 7 -29,-1.0 -62,-1.4 1,-0.2 2,-0.5 0.760 82.1 48.2 -88.8 -37.0 8.8 75.2 25.2 78 98 A L E -Be 14 49A 0 -30,-2.0 -28,-1.9 -64,-0.2 2,-0.4 -0.959 61.6-175.8-117.6 133.6 9.3 72.4 27.7 79 99 A S E +Be 13 50A 0 -66,-2.2 -66,-2.9 -2,-0.5 2,-0.3 -0.974 17.4 154.3-127.4 125.3 9.7 72.7 31.5 80 100 A T E - e 0 51A 0 -30,-0.6 -28,-2.1 -2,-0.4 -27,-0.4 -0.883 36.6-127.4-140.0 172.9 10.4 69.8 33.8 81 101 A D S S+ 0 0 41 -70,-0.5 3,-0.1 -2,-0.3 -2,-0.0 -0.866 88.3 32.3-116.2 151.4 11.9 68.8 37.2 82 102 A G S S+ 0 0 39 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.452 93.6 90.6 89.9 -5.1 14.6 66.1 37.3 83 103 A L + 0 0 3 -3,-0.1 2,-0.3 5,-0.0 -30,-0.2 -0.993 46.7 152.5-125.4 130.0 16.5 66.5 34.0 84 104 A T >> - 0 0 28 -2,-0.4 3,-1.3 -3,-0.1 4,-0.7 -0.862 60.7 -79.8-142.8-173.1 19.5 68.9 33.7 85 105 A E T 34 S+ 0 0 12 -2,-0.3 77,-2.4 1,-0.3 76,-0.4 0.802 124.4 55.2 -64.8 -23.6 22.6 69.3 31.6 86 106 A S T 34 S+ 0 0 20 1,-0.2 -1,-0.3 75,-0.2 74,-0.1 0.512 115.5 33.1 -91.4 -6.3 24.4 66.6 33.7 87 107 A N T <4 S+ 0 0 15 -3,-1.3 2,-0.4 2,-0.0 -1,-0.2 0.172 101.3 82.3-129.6 9.8 21.9 63.8 33.2 88 108 A V < - 0 0 0 -4,-0.7 73,-2.5 -3,-0.3 2,-0.4 -0.979 69.0-150.5-111.1 130.9 20.6 64.5 29.7 89 109 A Y B > -K 160 0C 29 -2,-0.4 3,-2.4 71,-0.3 71,-0.3 -0.857 22.1-103.6-110.4 143.6 22.9 63.2 26.9 90 110 A X T 3 S+ 0 0 0 69,-2.4 69,-0.4 -2,-0.4 95,-0.2 -0.343 112.2 25.3 -51.2 129.1 23.5 64.4 23.3 91 111 A G T 3 S+ 0 0 0 12,-1.8 -1,-0.3 1,-0.3 95,-0.1 0.155 82.2 150.8 98.1 -17.0 21.6 62.0 21.1 92 112 A D < - 0 0 0 -3,-2.4 11,-2.6 10,-0.1 2,-0.5 -0.164 33.4-152.7 -49.8 131.6 19.0 61.0 23.7 93 113 A I E -FG 102 154A 33 61,-2.0 60,-2.5 9,-0.2 61,-1.4 -0.956 11.6-166.6-110.1 131.6 15.8 60.1 21.9 94 114 A F E -FG 101 152A 2 7,-2.9 7,-2.4 -2,-0.5 2,-0.5 -0.973 17.5-137.6-120.8 136.7 12.5 60.6 23.8 95 115 A R E -FG 100 151A 113 56,-2.6 56,-2.9 -2,-0.4 2,-0.4 -0.782 23.2-177.0 -87.2 128.5 9.0 59.4 23.1 96 116 A W E > -FG 99 150A 0 3,-2.6 3,-3.3 -2,-0.5 54,-0.2 -0.957 60.5 -56.0-129.1 110.3 6.5 62.1 23.8 97 117 A G T 3 S- 0 0 27 52,-0.7 47,-0.2 -2,-0.4 54,-0.1 -0.376 123.1 -21.6 55.0-120.1 2.8 61.1 23.3 98 118 A E T 3 S+ 0 0 137 45,-3.1 -1,-0.3 -3,-0.1 2,-0.2 0.404 123.2 88.3 -98.6 6.3 3.0 59.9 19.7 99 119 A A E < -F 96 0A 0 -3,-3.3 -3,-2.6 44,-0.3 2,-0.4 -0.626 63.3-140.9-104.6 162.3 6.2 61.8 18.6 100 120 A L E -FH 95 140A 60 40,-1.9 40,-2.1 -5,-0.2 39,-1.3 -0.964 22.3-177.3-117.1 130.1 9.9 61.0 18.7 101 121 A I E -FH 94 138A 0 -7,-2.4 -7,-2.9 -2,-0.4 2,-0.4 -0.972 9.8-156.2-128.5 147.5 12.3 63.8 19.6 102 122 A Q E -FH 93 137A 27 35,-2.4 35,-2.4 -2,-0.4 2,-0.4 -0.991 22.7-120.2-126.5 131.0 16.1 63.8 19.8 103 123 A V E + H 0 136A 0 -11,-2.6 -12,-1.8 -2,-0.4 33,-0.3 -0.549 35.2 173.4 -62.3 127.3 18.4 66.1 21.8 104 124 A S E - 0 0 0 31,-2.4 84,-2.8 -2,-0.4 32,-0.2 0.582 52.3 -27.0-119.3 -7.6 20.7 67.9 19.2 105 125 A Q E - H 0 135A 0 30,-0.9 30,-2.7 82,-0.2 -1,-0.4 -0.877 66.8 -82.8 169.2 160.2 22.7 70.5 21.1 106 126 A P E - H 0 134A 0 0, 0.0 28,-0.3 0, 0.0 2,-0.2 -0.352 54.3-100.1 -74.9 153.7 22.9 72.8 24.1 107 127 A R - 0 0 40 26,-1.5 25,-0.1 -58,-0.2 26,-0.0 -0.606 34.9-134.0 -73.6 137.8 21.1 76.2 23.9 108 128 A S - 0 0 30 -2,-0.2 2,-0.1 -3,-0.1 26,-0.0 -0.886 19.7-123.0 -93.4 126.6 23.5 79.0 23.1 109 129 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 14,-0.0 -0.440 29.8-155.4 -71.2 142.1 23.0 82.1 25.3 110 130 A C >> - 0 0 39 -2,-0.1 3,-2.5 1,-0.1 4,-0.5 -0.935 28.2-121.5-123.0 146.5 22.4 85.3 23.4 111 131 A Y H >> S+ 0 0 77 99,-3.2 3,-0.9 -2,-0.4 4,-0.8 0.755 108.0 72.4 -54.6 -28.5 22.9 89.0 24.0 112 132 A K H >> S+ 0 0 129 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.845 85.8 66.5 -54.2 -35.4 19.1 89.5 23.5 113 133 A L H <> S+ 0 0 14 -3,-2.5 4,-1.3 1,-0.2 3,-0.5 0.918 95.2 56.9 -50.8 -45.2 18.6 87.8 26.9 114 134 A N H S+ 0 0 17 -3,-0.9 4,-0.7 -4,-0.5 5,-0.7 0.828 105.7 50.1 -54.7 -34.2 20.3 90.8 28.5 115 135 A Y H <<5S+ 0 0 165 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.809 109.6 52.0 -72.4 -36.2 17.7 93.1 26.9 116 136 A H H <5S+ 0 0 115 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.692 119.5 30.0 -73.7 -31.3 14.8 91.0 28.2 117 137 A F H <5S- 0 0 4 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.429 100.9-129.1-105.0 -11.9 15.8 90.8 31.9 118 138 A D T <5 + 0 0 140 -4,-0.7 2,-0.5 -5,-0.3 -3,-0.2 0.862 68.9 128.9 62.2 36.0 17.4 94.1 31.7 119 139 A I > < - 0 0 12 -5,-0.7 3,-1.0 -6,-0.3 -1,-0.3 -0.997 56.3-143.3-118.2 122.2 20.5 92.5 33.4 120 140 A S T 3 S+ 0 0 88 -2,-0.5 -6,-0.1 1,-0.2 4,-0.1 0.524 89.4 31.6 -73.3 -12.8 23.6 93.4 31.4 121 141 A D T 3> S+ 0 0 54 -7,-0.1 4,-2.3 2,-0.1 -1,-0.2 0.089 74.1 116.3-133.7 31.1 25.6 90.1 31.7 122 142 A I H <> S+ 0 0 0 -3,-1.0 4,-3.2 2,-0.2 5,-0.2 0.912 79.4 53.9 -67.2 -33.0 23.0 87.3 31.9 123 143 A A H > S+ 0 0 0 1,-0.2 4,-2.6 88,-0.2 -1,-0.2 0.958 110.3 45.7 -63.8 -48.8 24.2 85.8 28.7 124 144 A Q H > S+ 0 0 51 87,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.912 115.1 49.0 -59.4 -42.8 27.8 85.6 29.9 125 145 A L H X S+ 0 0 40 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.889 109.1 50.7 -65.9 -43.0 26.5 84.2 33.2 126 146 A X H X>S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-1.0 0.960 114.8 45.0 -54.8 -52.7 24.3 81.6 31.6 127 147 A Q H <5S+ 0 0 4 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.891 112.8 50.2 -58.9 -44.8 27.3 80.5 29.5 128 148 A N H <5S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.874 116.8 39.6 -65.3 -40.5 29.7 80.5 32.4 129 149 A T H <5S- 0 0 46 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.810 102.2-131.5 -77.5 -32.5 27.5 78.4 34.7 130 150 A G T <5 + 0 0 12 -4,-2.5 2,-1.5 -5,-0.3 3,-0.4 0.606 62.3 138.0 87.1 15.4 26.4 76.1 31.8 131 151 A K < + 0 0 48 -5,-1.0 -1,-0.1 -6,-0.3 -4,-0.1 -0.370 26.6 120.8 -92.8 65.7 22.7 76.6 32.9 132 152 A V - 0 0 0 -2,-1.5 -1,-0.2 1,-0.3 2,-0.1 0.621 58.4-141.7-107.7 -13.8 21.6 76.9 29.3 133 153 A G - 0 0 0 -3,-0.4 -26,-1.5 -27,-0.1 2,-0.3 -0.451 24.2-109.0 78.7-163.4 19.1 74.1 28.6 134 154 A W E -DH 49 106A 0 -85,-1.7 -85,-2.5 -28,-0.3 2,-0.3 -0.968 14.3-117.0-160.8 170.5 19.1 72.4 25.2 135 155 A L E -DH 48 105A 18 -30,-2.7 -31,-2.4 -2,-0.3 -30,-0.9 -0.797 16.1-150.1-119.5 155.3 17.2 71.9 21.9 136 156 A Y E -DH 47 103A 0 -89,-2.0 -89,-1.5 -2,-0.3 -90,-0.5 -0.950 7.5-145.4-120.0 150.0 15.6 68.9 20.2 137 157 A S E - H 0 102A 17 -35,-2.4 -35,-2.4 -2,-0.4 2,-0.8 -0.846 35.2-111.7-103.5 145.3 15.1 68.1 16.5 138 158 A V E - H 0 101A 14 -95,-0.7 -37,-0.2 -106,-0.5 -93,-0.0 -0.748 31.0-176.8 -85.3 112.1 11.8 66.3 15.8 139 159 A I E S+ 0 0 79 -39,-1.3 -38,-0.2 -2,-0.8 -1,-0.2 0.769 77.7 7.7 -75.4 -29.3 12.5 62.7 14.8 140 160 A A E S- H 0 100A 30 -40,-2.1 -40,-1.9 -109,-0.1 -1,-0.3 -0.871 75.9-137.8-156.3 122.8 8.8 61.9 14.2 141 161 A P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 -110,-0.2 -0.210 43.0 118.1 -73.5 169.0 5.9 64.3 14.2 142 162 A G E -I 30 0B 10 -112,-2.0 -112,-2.5 -43,-0.1 2,-0.2 -0.900 63.7 -41.8 154.9 176.0 2.5 63.4 15.9 143 163 A K E +I 29 0B 99 -2,-0.3 -45,-3.1 -114,-0.2 -44,-0.3 -0.561 56.9 170.0 -72.0 137.4 0.0 64.3 18.6 144 164 A V E -I 28 0B 3 -116,-2.1 -116,-1.4 -47,-0.2 2,-0.3 -0.801 10.6-160.1-133.2 177.6 1.6 65.2 21.9 145 165 A S E > -I 27 0B 16 -2,-0.3 3,-2.0 -118,-0.2 -118,-0.2 -0.981 36.9-117.9-166.4 155.6 0.2 66.7 25.1 146 166 A A T 3 S+ 0 0 25 -120,-1.6 -134,-0.3 -2,-0.3 -119,-0.1 0.589 118.8 54.0 -67.4 -10.7 0.8 68.5 28.4 147 167 A D T 3 S+ 0 0 142 -121,-0.2 -1,-0.3 -136,-0.1 -120,-0.1 0.353 93.6 85.7 -95.7 -14.4 -0.6 65.4 30.1 148 168 A A S < S- 0 0 19 -3,-2.0 -3,-0.2 -136,-0.1 -136,-0.2 -0.891 72.3-142.4 -99.6 124.6 1.9 63.1 28.3 149 169 A P - 0 0 40 0, 0.0 -52,-0.7 0, 0.0 2,-0.6 -0.321 21.6-102.8 -76.8 167.7 5.3 62.7 29.9 150 170 A L E -AG 10 96A 0 -140,-2.1 -140,-1.8 -54,-0.2 2,-0.5 -0.809 34.5-159.4 -91.5 120.2 8.7 62.4 28.2 151 171 A E E -AG 9 95A 40 -56,-2.9 -56,-2.6 -2,-0.6 2,-0.4 -0.905 15.1-133.4-105.5 122.6 9.9 58.8 28.1 152 172 A L E + G 0 94A 6 -144,-1.5 -58,-0.2 -2,-0.5 -144,-0.2 -0.629 36.4 163.3 -68.0 131.3 13.6 58.1 27.6 153 173 A V E + 0 0 58 -60,-2.5 2,-0.3 -2,-0.4 -59,-0.2 0.621 56.8 24.7-130.1 -13.9 13.8 55.5 24.9 154 174 A S E - G 0 93A 38 -61,-1.4 -61,-2.0 -151,-0.0 2,-0.6 -0.956 49.3-168.8-154.9 126.0 17.3 55.4 23.5 155 175 A R + 0 0 32 -2,-0.3 -151,-0.1 -63,-0.2 -63,-0.1 -0.984 22.7 161.4-115.9 108.0 20.6 56.5 25.0 156 176 A V + 0 0 65 -2,-0.6 2,-0.3 -66,-0.2 29,-0.3 0.328 50.6 42.7-113.2 2.9 23.0 56.5 22.1 157 177 A S - 0 0 12 -67,-0.1 27,-0.1 27,-0.1 -68,-0.0 -0.920 60.5-139.3-140.6 165.2 26.1 58.6 23.1 158 178 A D S S+ 0 0 107 -2,-0.3 2,-0.5 2,-0.1 -67,-0.1 -0.245 73.6 102.1-116.8 37.8 28.2 59.1 26.2 159 179 A V - 0 0 3 -69,-0.4 -69,-2.4 22,-0.1 2,-0.2 -0.994 60.4-151.1-116.4 118.3 28.5 62.9 25.8 160 180 A T B > -K 89 0C 9 -2,-0.5 4,-2.8 -71,-0.3 -71,-0.3 -0.504 28.4-111.5 -84.3 165.0 26.2 64.9 28.2 161 181 A V H > S+ 0 0 0 -73,-2.5 4,-3.0 -76,-0.4 5,-0.2 0.965 119.5 57.0 -56.9 -43.4 24.8 68.3 27.5 162 182 A Q H > S+ 0 0 52 -77,-2.4 4,-2.2 -74,-0.3 -1,-0.2 0.862 109.0 41.9 -54.1 -47.1 27.1 69.6 30.2 163 183 A E H > S+ 0 0 44 -78,-0.3 4,-3.0 2,-0.2 5,-0.3 0.902 111.0 56.5 -72.0 -35.0 30.3 68.3 28.6 164 184 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.959 111.0 45.6 -60.7 -42.4 29.1 69.5 25.1 165 185 A A H X S+ 0 0 3 -4,-3.0 4,-3.1 1,-0.2 5,-0.5 0.890 112.3 49.9 -63.8 -41.7 28.8 72.9 26.7 166 186 A A H X>S+ 0 0 7 -4,-2.2 4,-2.3 -5,-0.2 5,-1.8 0.901 110.7 50.3 -62.5 -43.1 32.2 72.7 28.4 167 187 A I H <5S+ 0 0 4 -4,-3.0 -1,-0.2 3,-0.2 -2,-0.2 0.817 116.6 41.4 -62.7 -37.0 33.9 71.6 25.2 168 188 A A H <5S+ 0 0 3 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.949 136.3 8.8 -76.8 -43.6 32.3 74.5 23.2 169 189 A W H <5S+ 0 0 26 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.504 124.6 45.2-119.1 -11.1 32.8 77.3 25.8 170 190 A H T <5S+ 0 0 60 -4,-2.3 -3,-0.2 -5,-0.5 -4,-0.1 0.683 92.7 72.6-111.2 -18.5 34.9 76.3 28.8 171 191 A X S - 0 0 60 -3,-0.1 4,-2.3 -7,-0.1 3,-0.3 -0.714 27.6-164.0-156.7 101.0 41.6 70.5 22.0 175 195 A D H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.841 92.5 56.9 -49.9 -42.6 41.3 68.5 18.7 176 196 A D H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 108.5 45.3 -60.4 -47.5 40.5 65.3 20.7 177 197 A Q H > S+ 0 0 40 -3,-0.3 4,-3.2 2,-0.2 -2,-0.2 0.909 113.2 50.3 -62.7 -39.4 37.5 66.8 22.4 178 198 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.882 111.5 49.2 -66.7 -36.4 36.3 68.4 19.2 179 199 A H H X S+ 0 0 93 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.856 111.8 49.5 -67.6 -35.0 36.6 65.0 17.6 180 200 A R H >X S+ 0 0 65 -4,-2.3 3,-1.5 -5,-0.2 4,-0.7 0.979 109.6 50.1 -71.0 -43.9 34.7 63.5 20.5 181 201 A L H >< S+ 0 0 0 -4,-3.2 3,-1.8 1,-0.3 -2,-0.2 0.942 106.9 55.2 -60.7 -43.9 31.9 66.1 20.2 182 202 A L H 3< S+ 0 0 40 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.708 101.9 61.0 -61.2 -19.9 31.6 65.4 16.4 183 203 A S H << S+ 0 0 84 -3,-1.5 2,-0.3 -4,-0.7 -1,-0.3 0.691 77.7 106.1 -82.0 -15.6 31.1 61.7 17.3 184 204 A A S X< S- 0 0 8 -3,-1.8 3,-1.3 -4,-0.7 -93,-0.1 -0.445 75.5-118.4 -72.6 125.3 27.9 62.2 19.4 185 205 A A T 3 S+ 0 0 40 -2,-0.3 -93,-0.1 -29,-0.3 -1,-0.1 -0.127 93.5 25.7 -52.0 154.5 24.8 61.1 17.5 186 206 A G T 3 S+ 0 0 28 1,-0.2 -1,-0.2 -95,-0.1 -95,-0.2 0.438 78.2 162.8 69.4 1.8 22.1 63.7 16.8 187 207 A L < - 0 0 21 -3,-1.3 -1,-0.2 -6,-0.1 -82,-0.2 -0.313 42.1-113.4 -57.6 119.9 24.5 66.6 16.8 188 208 A S > - 0 0 0 -84,-2.8 4,-2.3 -2,-0.1 3,-0.2 -0.117 21.0-113.8 -54.4 150.9 22.9 69.6 15.1 189 209 A K H > S+ 0 0 156 1,-0.2 4,-3.1 2,-0.2 5,-0.1 0.860 113.5 52.1 -54.0 -45.3 24.3 70.8 11.7 190 210 A S H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 111.5 46.3 -65.8 -35.3 25.5 74.2 13.1 191 211 A W H > S+ 0 0 14 2,-0.2 4,-2.6 -3,-0.2 5,-0.3 0.862 111.9 51.5 -75.1 -32.1 27.5 72.6 15.9 192 212 A T H X S+ 0 0 54 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.984 112.2 48.1 -65.1 -45.9 28.9 70.0 13.5 193 213 A R H X S+ 0 0 171 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.883 112.3 48.8 -57.0 -44.4 29.9 73.0 11.4 194 214 A T H X S+ 0 0 44 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.923 113.9 42.8 -68.5 -45.3 31.4 74.9 14.3 195 215 A X H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.876 114.5 51.9 -69.5 -36.8 33.6 72.0 15.7 196 216 A Q H X S+ 0 0 81 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.929 108.7 51.4 -62.1 -41.9 34.7 71.1 12.2 197 217 A K H X S+ 0 0 120 -4,-2.4 4,-3.4 -5,-0.3 5,-0.3 0.904 108.2 51.1 -65.2 -40.6 35.7 74.7 11.5 198 218 A R H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.932 108.7 52.0 -61.8 -42.7 37.8 74.7 14.7 199 219 A R H < S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.959 117.0 39.0 -57.6 -46.7 39.5 71.5 13.7 200 220 A L H < S+ 0 0 136 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.919 120.7 41.9 -70.4 -44.1 40.4 73.0 10.3 201 221 A S H < S- 0 0 66 -4,-3.4 -1,-0.2 -5,-0.2 -3,-0.2 0.852 95.8-134.3 -74.1 -31.5 41.3 76.5 11.4 202 222 A G S < S+ 0 0 45 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.1 0.454 72.3 95.4 85.5 13.2 43.2 75.5 14.5 203 223 A K S S- 0 0 145 -6,-0.3 2,-0.6 -5,-0.3 -1,-0.3 -0.939 76.3-116.2-139.8 160.9 41.3 78.2 16.4 204 224 A I - 0 0 62 -2,-0.3 3,-0.1 -3,-0.1 -9,-0.0 -0.728 39.1-123.4 -95.9 116.9 38.3 79.0 18.6 205 225 A E - 0 0 77 -2,-0.6 -1,-0.0 -11,-0.2 -7,-0.0 -0.248 37.1 -92.7 -59.2 145.5 35.8 81.4 17.0 206 226 A D - 0 0 105 1,-0.1 4,-0.2 2,-0.0 -1,-0.1 -0.169 30.7-168.6 -57.0 148.0 35.1 84.6 18.9 207 227 A F > + 0 0 40 2,-0.1 4,-2.3 -3,-0.1 5,-0.2 0.544 61.6 94.1-116.5 -7.8 32.1 84.7 21.3 208 228 A S H > S+ 0 0 44 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.782 83.2 50.7 -53.4 -46.9 31.8 88.5 22.1 209 229 A R H > S+ 0 0 167 3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.978 112.8 46.5 -63.3 -45.8 29.2 89.4 19.4 210 230 A R H 4 S+ 0 0 65 1,-0.2 -99,-3.2 2,-0.2 -2,-0.2 0.925 121.8 37.2 -60.8 -43.8 26.9 86.6 20.5 211 231 A L H < S+ 0 0 4 -4,-2.3 -87,-0.3 -101,-0.2 -88,-0.2 0.848 132.5 19.3 -80.7 -31.9 27.2 87.4 24.2 212 232 A W H >< S- 0 0 90 -4,-3.0 3,-1.3 1,-0.3 -3,-0.2 0.472 79.2-149.9-123.2 0.7 27.4 91.2 24.1 213 233 A G G >< S- 0 0 8 -4,-2.2 3,-1.7 -5,-0.3 -1,-0.3 -0.391 78.5 -7.5 68.2-138.5 26.0 92.8 20.9 214 234 A K G 3 S+ 0 0 199 1,-0.3 -1,-0.3 -2,-0.1 -5,-0.1 0.714 132.0 64.2 -66.3 -22.8 27.7 96.1 19.8 215 235 A E G < 0 0 87 -3,-1.3 -1,-0.3 -6,-0.1 -2,-0.2 0.390 360.0 360.0 -83.8 6.7 29.6 96.3 23.1 216 236 A G < 0 0 38 -3,-1.7 -7,-0.1 -7,-0.1 -3,-0.0 -0.780 360.0 360.0 -90.7 360.0 31.5 93.1 22.2 217 !* 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 0.0 218 4 B F > 0 0 88 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-174.5 37.3 62.0 32.6 219 5 B L G > + 0 0 50 1,-0.2 3,-0.6 2,-0.2 4,-0.1 0.491 360.0 80.6 -83.0 -8.9 37.2 65.8 31.9 220 6 B V G > >S+ 0 0 27 1,-0.2 3,-1.7 2,-0.2 5,-0.5 0.813 81.2 71.2 -66.9 -27.9 34.7 66.6 34.7 221 7 B E G X 5S+ 0 0 66 -3,-0.7 3,-0.5 1,-0.3 -1,-0.2 0.880 100.6 44.9 -53.0 -38.3 37.8 66.4 36.9 222 8 B R G < 5S+ 0 0 200 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.320 91.8 78.0 -91.5 4.9 38.9 69.7 35.3 223 9 B E G < 5S- 0 0 54 -3,-1.7 -1,-0.2 -4,-0.1 3,-0.2 0.584 93.3-132.3 -86.6 -14.5 35.7 71.7 35.4 224 10 B Q T < 5 - 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0 0 3 -69,-0.3 -69,-2.2 22,-0.1 2,-0.2 -0.957 64.6-149.0-112.2 127.3 28.7 53.3 37.2 378 180 B T B >> -V 307 0G 7 -2,-0.5 4,-2.3 -71,-0.3 3,-0.5 -0.540 31.0-103.5 -85.3 169.3 26.5 56.0 38.7 379 181 B V H 3> S+ 0 0 0 -73,-2.4 4,-2.7 -76,-0.3 5,-0.2 0.921 124.9 54.4 -58.9 -39.5 24.7 55.8 42.0 380 182 B Q H 3> S+ 0 0 54 -77,-2.5 4,-1.9 -74,-0.3 -1,-0.3 0.848 107.0 48.7 -61.9 -39.0 21.5 55.4 39.9 381 183 B E H <> S+ 0 0 38 -3,-0.5 4,-2.5 -78,-0.3 -1,-0.2 0.901 112.2 48.5 -70.7 -39.6 23.0 52.4 38.1 382 184 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.940 112.6 48.1 -67.8 -40.5 24.1 50.7 41.3 383 185 B A H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 5,-0.5 0.901 113.2 47.8 -64.6 -39.6 20.7 51.2 42.9 384 186 B A H X>S+ 0 0 3 -4,-1.9 4,-2.3 -5,-0.2 5,-1.6 0.894 111.8 50.9 -69.3 -38.8 19.0 49.8 39.8 385 187 B I H <5S+ 0 0 0 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.874 115.0 41.8 -65.1 -38.2 21.3 46.9 39.7 386 188 B A H <5S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.931 135.6 11.3 -77.0 -43.7 20.8 46.0 43.4 387 189 B W H <5S+ 0 0 25 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.637 122.9 48.0-113.7 -15.8 17.0 46.5 43.5 388 190 B H T <5S+ 0 0 56 -4,-2.3 -3,-0.2 -5,-0.5 -4,-0.1 0.790 92.8 61.2-106.7 -30.5 15.5 47.0 40.1 389 191 B X S > - 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