==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-APR-13 4BIK . COMPND 2 MOLECULE: INTERMEDILYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS INTERMEDIUS; . AUTHOR S.JOHNSON,N.J.BROOKS,R.A.G.SMITH,S.M.LEA,D.BUBECK . 1067 8 12 10 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 727 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 318 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 137 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 5 3 3 0 6 2 0 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 5 9 2 2 1 10 8 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 3 1 0 2 0 0 0 1 1 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 56 A N > 0 0 183 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -51.2 35.3 15.8 -148.8 2 57 A S H > + 0 0 85 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.876 360.0 48.5 -74.9 -39.4 35.6 13.8 -145.6 3 58 A E H > S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.811 106.6 59.4 -65.3 -28.8 32.3 12.2 -146.4 4 59 A A H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.912 106.6 45.0 -64.4 -44.0 33.9 11.6 -149.8 5 60 A A H X S+ 0 0 33 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.966 113.8 51.3 -60.5 -53.6 36.7 9.6 -148.2 6 61 A K H X S+ 0 0 70 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.938 113.7 41.5 -46.8 -63.0 34.1 7.8 -146.1 7 62 A K H X S+ 0 0 118 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.742 114.2 54.4 -61.9 -29.8 31.9 6.8 -149.0 8 63 A A H X S+ 0 0 31 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.939 110.9 42.8 -66.3 -50.4 34.9 6.0 -151.2 9 64 A L H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.3 -2,-0.2 0.834 116.3 48.7 -71.6 -31.3 36.4 3.6 -148.7 10 65 A N H X S+ 0 0 9 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.3 0.811 106.0 63.4 -65.2 -32.0 33.0 2.1 -148.1 11 66 A D H X S+ 0 0 92 -4,-1.0 4,-0.7 -5,-0.2 -2,-0.2 0.892 102.4 44.4 -66.9 -43.0 32.7 2.0 -151.9 12 67 A Y H >X S+ 0 0 51 -4,-1.8 3,-1.0 1,-0.2 4,-0.9 0.974 108.5 55.0 -65.9 -50.5 35.5 -0.5 -152.5 13 68 A I H >< S+ 0 0 16 -4,-1.2 3,-0.8 1,-0.3 -2,-0.2 0.839 107.9 45.8 -57.0 -44.5 34.7 -3.1 -149.7 14 69 A W H 3< S+ 0 0 146 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.781 108.0 61.8 -69.6 -20.7 31.1 -3.8 -150.6 15 70 A G H << S+ 0 0 31 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.3 0.729 82.3 93.7 -74.4 -25.4 32.4 -4.1 -154.1 16 71 A L << - 0 0 32 -4,-0.9 2,-0.5 -3,-0.8 216,-0.0 -0.581 67.8-158.7 -65.5 127.9 34.7 -7.0 -153.0 17 72 A Q + 0 0 140 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.922 26.2 136.6-121.8 115.7 32.6 -10.2 -153.7 18 73 A Y - 0 0 101 -2,-0.5 2,-0.9 4,-0.0 3,-0.1 -0.954 54.2-104.7-151.3 162.4 33.4 -13.5 -152.0 19 74 A D >> - 0 0 87 -2,-0.3 4,-2.5 1,-0.2 3,-1.6 -0.825 25.2-169.2 -92.9 104.0 31.9 -16.6 -150.2 20 75 A K H 3> S+ 0 0 39 -2,-0.9 4,-0.8 1,-0.3 311,-0.2 0.865 86.2 57.8 -58.5 -40.8 32.5 -16.1 -146.5 21 76 A L H 34 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.136 117.6 33.1 -80.0 21.1 31.5 -19.8 -145.8 22 77 A N H X4 S+ 0 0 97 -3,-1.6 3,-1.0 3,-0.0 -2,-0.2 0.510 100.1 70.6-135.5 -41.9 34.2 -21.0 -148.2 23 78 A I H 3< S+ 0 0 56 -4,-2.5 2,-0.5 1,-0.3 -3,-0.1 0.806 98.9 54.8 -53.9 -33.2 37.2 -18.6 -148.0 24 79 A L T 3< S+ 0 0 6 -4,-0.8 309,-2.1 307,-0.2 2,-0.4 -0.275 83.4 119.2 -98.9 48.9 38.0 -19.8 -144.5 25 80 A T E < -a 333 0A 49 -3,-1.0 2,-0.4 -2,-0.5 309,-0.2 -0.932 38.2-173.3-119.0 138.1 38.3 -23.5 -145.3 26 81 A H E -a 334 0A 86 307,-1.4 309,-2.0 -2,-0.4 2,-0.5 -0.964 13.2-156.0-128.2 144.3 41.3 -25.8 -144.8 27 82 A Q E +a 335 0A 70 -2,-0.4 309,-0.2 1,-0.2 3,-0.1 -0.944 11.2 178.6-120.4 110.2 42.0 -29.4 -145.8 28 83 A G - 0 0 44 307,-1.6 2,-0.3 -2,-0.5 -1,-0.2 0.997 65.5 -23.7 -68.9 -70.0 44.7 -31.1 -143.7 29 84 A E - 0 0 110 306,-0.2 308,-4.4 308,-0.1 2,-0.4 -0.992 49.9-153.9-150.1 138.5 44.7 -34.6 -145.2 30 85 A K - 0 0 151 -2,-0.3 2,-0.3 306,-0.2 25,-0.1 -0.941 21.7-173.7-111.0 136.7 42.4 -36.8 -147.2 31 86 A L - 0 0 68 -2,-0.4 307,-0.1 23,-0.1 3,-0.1 -0.834 27.1 -91.0-129.9 164.3 42.7 -40.6 -146.9 32 87 A K - 0 0 155 -2,-0.3 2,-0.3 1,-0.1 -1,-0.0 -0.342 49.0 -93.2 -73.4 151.7 41.3 -43.7 -148.5 33 88 A N + 0 0 149 -2,-0.1 2,-0.3 20,-0.0 -1,-0.1 -0.508 66.7 158.8 -62.0 123.9 38.3 -45.5 -147.1 34 89 A H + 0 0 80 -2,-0.3 19,-1.0 -3,-0.1 2,-0.3 -0.988 26.3 171.1-157.7 140.1 39.9 -48.2 -145.0 35 90 A S E +B 52 0A 85 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.981 6.1 176.6-146.5 142.8 39.3 -50.6 -142.1 36 91 A S E -B 51 0A 42 15,-2.7 15,-2.6 -2,-0.3 2,-0.4 -0.953 12.2-159.8-147.6 126.4 41.4 -53.4 -140.6 37 92 A R E +B 50 0A 65 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.881 14.4 176.1 -98.1 136.5 40.9 -55.6 -137.6 38 93 A E E -B 49 0A 120 11,-2.1 11,-2.8 -2,-0.4 2,-0.4 -0.976 11.2-159.7-141.2 132.2 43.9 -57.4 -136.1 39 94 A A E -B 48 0A 19 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.906 9.1-166.3-117.1 135.9 43.8 -59.5 -133.0 40 95 A F E -B 47 0A 79 7,-2.7 7,-2.4 -2,-0.4 2,-0.6 -0.856 21.1-131.9-122.1 149.8 46.8 -60.4 -130.9 41 96 A H E +B 46 0A 121 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.914 36.4 168.6 -95.8 123.5 47.6 -62.9 -128.1 42 97 A R E > -B 45 0A 64 3,-2.7 3,-3.2 -2,-0.6 2,-0.1 -0.943 49.4 -76.0-132.0 154.1 49.3 -61.1 -125.3 43 98 A P T 3 S+ 0 0 134 0, 0.0 3,-0.1 0, 0.0 304,-0.0 -0.301 121.9 3.2 -56.5 121.2 50.1 -62.4 -121.8 44 99 A G T 3 S+ 0 0 31 1,-0.1 304,-1.8 -2,-0.1 2,-0.3 0.337 127.1 68.9 84.8 -4.9 46.8 -62.3 -119.9 45 100 A E E < -BC 42 347A 20 -3,-3.2 -3,-2.7 302,-0.3 2,-0.5 -0.984 57.7-152.4-145.2 152.9 44.8 -61.1 -123.0 46 101 A Y E -BC 41 346A 8 300,-2.8 300,-1.8 -2,-0.3 2,-0.5 -0.991 40.2-164.0-109.4 113.7 43.4 -61.6 -126.4 47 102 A V E -BC 40 345A 0 -7,-2.4 -7,-2.7 -2,-0.5 2,-0.7 -0.889 12.8-155.9-108.9 124.9 43.4 -58.0 -127.7 48 103 A V E -BC 39 344A 11 296,-2.1 296,-2.5 -2,-0.5 2,-0.6 -0.877 10.2-171.4-103.3 113.7 41.4 -56.9 -130.7 49 104 A I E -BC 38 343A 15 -11,-2.8 -11,-2.1 -2,-0.7 2,-0.6 -0.907 4.7-174.9-108.5 108.8 42.8 -53.8 -132.4 50 105 A E E -BC 37 342A 75 292,-1.8 292,-2.5 -2,-0.6 2,-0.4 -0.916 7.0-167.4-113.9 114.2 40.6 -52.3 -135.0 51 106 A K E +BC 36 341A 61 -15,-2.6 -15,-2.7 -2,-0.6 2,-0.3 -0.814 15.1 169.9 -92.2 133.4 41.6 -49.3 -137.2 52 107 A K E -BC 35 340A 56 288,-2.5 288,-1.4 -2,-0.4 2,-0.4 -0.898 34.0-104.6-133.8 168.7 39.0 -47.6 -139.3 53 108 A K E + C 0 339A 44 -19,-1.0 2,-0.3 -2,-0.3 286,-0.2 -0.804 37.0 177.3 -97.9 137.2 38.9 -44.4 -141.3 54 109 A Q E - C 0 338A 68 284,-2.8 284,-2.8 -2,-0.4 2,-0.3 -0.948 12.7-158.6-132.6 157.3 37.2 -41.3 -140.1 55 110 A S E - C 0 337A 68 -2,-0.3 2,-0.4 282,-0.2 282,-0.2 -0.892 10.5-154.7-128.3 160.7 36.7 -37.7 -141.4 56 111 A I E - C 0 336A 56 280,-1.9 280,-2.0 -2,-0.3 2,-0.5 -0.998 17.1-168.1-144.9 138.8 35.9 -34.6 -139.5 57 112 A S E + C 0 335A 75 -2,-0.4 2,-0.6 278,-0.2 278,-0.2 -0.939 18.9 176.8-119.9 103.7 34.3 -31.2 -140.2 58 113 A N E - C 0 334A 19 276,-2.5 276,-1.5 -2,-0.5 2,-0.7 -0.925 9.0-168.3-112.3 108.4 34.9 -28.8 -137.2 59 114 A A E + C 0 333A 52 -2,-0.6 2,-0.3 274,-0.2 274,-0.2 -0.872 14.4 177.0-100.6 113.1 33.6 -25.3 -137.6 60 115 A T E - C 0 332A 36 272,-2.1 272,-2.4 -2,-0.7 3,-0.1 -0.827 24.7-177.1-116.5 154.7 34.9 -22.9 -134.9 61 116 A S + 0 0 37 -2,-0.3 2,-0.4 270,-0.2 260,-0.4 0.759 69.0 70.9-110.9 -55.4 34.5 -19.2 -134.2 62 117 A K S S- 0 0 98 258,-0.1 258,-0.2 256,-0.1 2,-0.2 -0.566 71.6-156.7 -69.4 119.5 36.7 -18.5 -131.1 63 118 A L E -D 319 0B 27 256,-2.7 256,-1.6 -2,-0.4 2,-0.2 -0.599 15.4-106.9 -99.5 161.1 40.4 -18.7 -132.0 64 119 A S E -D 318 0B 8 -2,-0.2 2,-0.3 254,-0.2 254,-0.2 -0.555 19.5-136.8 -95.4 150.5 43.3 -19.4 -129.6 65 120 A V + 0 0 7 252,-1.5 2,-0.3 -2,-0.2 3,-0.1 -0.728 31.3 155.8 -99.1 151.6 46.0 -17.1 -128.3 66 121 A S > - 0 0 18 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.970 56.2 -82.8-163.7 171.5 49.7 -18.0 -128.0 67 122 A S T 4 S+ 0 0 114 -2,-0.3 4,-0.5 1,-0.2 3,-0.1 0.882 124.8 48.4 -46.1 -49.4 53.3 -16.6 -127.8 68 123 A A T 4 S+ 0 0 38 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.850 123.6 28.9 -65.3 -38.7 53.5 -16.3 -131.6 69 124 A N T >4 S+ 0 0 4 -3,-0.3 3,-1.2 1,-0.1 -2,-0.2 0.442 93.1 90.3-106.9 -0.3 50.2 -14.5 -132.1 70 125 A D G >< S+ 0 0 36 -4,-2.1 3,-1.1 1,-0.3 -1,-0.1 0.800 84.9 58.2 -65.0 -28.9 49.7 -12.6 -128.8 71 126 A D G 3 S+ 0 0 97 -4,-0.5 -1,-0.3 1,-0.2 52,-0.1 0.649 105.7 50.8 -74.8 -14.1 51.6 -9.6 -130.3 72 127 A R G < S+ 0 0 73 -3,-1.2 2,-0.4 5,-0.0 -1,-0.2 0.176 95.8 93.6-106.8 15.5 49.0 -9.4 -133.1 73 128 A I < + 0 0 14 -3,-1.1 170,-0.1 19,-0.0 5,-0.0 -0.930 36.0 110.3-125.6 134.7 45.9 -9.5 -130.9 74 129 A F S > S- 0 0 25 -2,-0.4 3,-2.3 168,-0.1 166,-0.3 -0.844 70.8 -69.0 178.5 156.1 43.6 -6.8 -129.3 75 130 A P T 3 S+ 0 0 2 0, 0.0 166,-0.2 0, 0.0 3,-0.1 -0.404 122.6 15.6 -59.5 121.7 40.0 -5.6 -129.7 76 131 A G T 3 S+ 0 0 0 164,-2.0 2,-0.1 1,-0.3 165,-0.1 0.383 87.3 149.3 94.8 -2.1 39.8 -3.7 -133.0 77 132 A A < - 0 0 3 -3,-2.3 163,-1.9 163,-0.1 2,-0.4 -0.415 44.7-130.1 -62.4 136.1 43.0 -5.2 -134.4 78 133 A L E -E 239 0B 20 15,-0.3 15,-1.1 161,-0.2 2,-0.3 -0.767 32.3-176.6 -93.6 136.0 42.9 -5.5 -138.2 79 134 A L E -EF 238 92B 3 159,-2.4 159,-2.2 -2,-0.4 2,-0.5 -0.866 27.3-111.8-136.1 164.2 43.9 -8.9 -139.6 80 135 A K E -E 237 0B 15 11,-0.8 2,-1.0 -2,-0.3 5,-0.5 -0.832 20.3-146.3-102.2 122.9 44.5 -10.8 -142.8 81 136 A A + 0 0 1 155,-2.2 2,-0.2 -2,-0.5 -2,-0.0 -0.778 62.7 77.5 -92.1 101.9 42.1 -13.7 -143.7 82 137 A D S > S- 0 0 28 -2,-1.0 4,-2.5 153,-0.1 5,-0.2 -0.837 103.2 -39.5-172.4-161.6 44.3 -16.2 -145.5 83 138 A Q H > S+ 0 0 139 -2,-0.2 4,-2.0 2,-0.2 6,-0.2 0.834 133.2 58.3 -54.3 -33.7 46.9 -19.0 -144.9 84 139 A S H 4>S+ 0 0 12 2,-0.2 5,-2.5 1,-0.2 3,-0.3 0.966 108.5 43.0 -60.7 -54.8 48.3 -16.7 -142.3 85 140 A L H >45S+ 0 0 4 -5,-0.5 3,-1.4 1,-0.2 -2,-0.2 0.869 111.6 56.6 -56.2 -40.8 45.0 -16.6 -140.4 86 141 A L H 3<5S+ 0 0 40 -4,-2.5 84,-0.5 1,-0.3 -1,-0.2 0.822 103.0 51.4 -67.1 -32.7 44.6 -20.4 -140.9 87 142 A E T 3<5S- 0 0 97 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.448 119.0-115.5 -77.7 2.9 48.0 -21.2 -139.3 88 143 A N T < 5S+ 0 0 3 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.2 0.830 95.9 104.2 57.1 34.8 46.6 -19.1 -136.4 89 144 A L < - 0 0 27 -5,-2.5 -3,-0.1 -6,-0.2 -4,-0.1 -0.576 57.0-178.1-133.7 69.8 49.5 -16.7 -137.2 90 145 A P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 -9,-0.1 -0.273 27.8-115.5 -75.9 158.5 47.6 -14.0 -139.0 91 146 A T - 0 0 75 -11,-0.3 -11,-0.8 -2,-0.0 2,-0.1 -0.834 25.2-145.0 -95.2 118.9 49.2 -10.9 -140.6 92 147 A L B -F 79 0B 74 -2,-0.6 -13,-0.2 -13,-0.2 -19,-0.0 -0.450 15.3-128.4 -74.5 153.7 48.2 -7.6 -139.0 93 148 A I - 0 0 37 -15,-1.1 2,-1.2 -2,-0.1 -15,-0.3 -0.932 7.7-139.3-112.0 123.8 47.9 -4.6 -141.3 94 149 A P + 0 0 109 0, 0.0 2,-0.3 0, 0.0 135,-0.0 -0.689 46.8 140.0 -79.0 92.2 49.6 -1.3 -140.5 95 150 A V - 0 0 34 -2,-1.2 2,-0.3 -17,-0.0 -17,-0.1 -0.783 64.6 -80.6-122.3 169.3 47.1 1.5 -141.4 96 151 A N - 0 0 60 -2,-0.3 122,-0.7 122,-0.1 2,-0.6 -0.592 56.2-131.2 -70.3 129.6 46.2 4.7 -139.6 97 152 A R B -O 217 0C 28 -2,-0.3 120,-0.3 120,-0.2 2,-0.1 -0.792 15.5-153.2-102.6 122.9 43.8 3.7 -136.9 98 153 A G - 0 0 6 118,-1.0 120,-0.2 -2,-0.6 20,-0.1 -0.438 42.6 -74.7 -82.9 158.9 40.5 5.3 -136.2 99 154 A K - 0 0 107 118,-0.1 2,-0.4 -2,-0.1 20,-0.2 -0.225 49.1-161.7 -58.1 139.1 38.8 5.4 -132.7 100 155 A T E -G 118 0B 5 18,-1.4 18,-1.7 -3,-0.1 2,-0.5 -0.992 12.2-135.1-128.2 130.0 37.3 2.0 -131.7 101 156 A T E -G 117 0B 37 -2,-0.4 107,-1.7 16,-0.2 2,-0.3 -0.749 23.6-171.6 -91.2 125.2 34.7 1.5 -129.0 102 157 A I E -GH 116 207B 4 14,-2.9 14,-2.3 -2,-0.5 2,-0.4 -0.866 8.9-162.6-115.9 144.6 35.4 -1.4 -126.6 103 158 A S E -GH 115 206B 38 103,-1.4 103,-2.6 -2,-0.3 2,-0.4 -0.941 3.1-161.2-132.9 112.6 33.0 -2.8 -123.9 104 159 A V E - H 0 205B 4 10,-1.3 101,-0.2 -2,-0.4 5,-0.1 -0.807 13.8-144.1 -96.3 132.9 34.3 -5.1 -121.1 105 160 A N + 0 0 87 99,-1.5 3,-0.1 -2,-0.4 -1,-0.1 0.099 42.7 147.5 -91.1 20.2 31.6 -7.1 -119.4 106 161 A L > - 0 0 12 98,-0.1 3,-0.9 1,-0.1 2,-0.1 -0.183 54.6-100.2 -52.1 147.0 32.9 -7.0 -115.8 107 162 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.425 100.9 23.6 -73.4 146.1 30.2 -7.1 -113.1 108 163 A G T 3 S+ 0 0 31 1,-0.3 2,-0.5 -2,-0.1 -2,-0.1 0.145 80.1 137.7 92.1 -19.4 29.2 -3.8 -111.4 109 164 A L < + 0 0 31 -3,-0.9 -1,-0.3 4,-0.1 2,-0.2 -0.483 28.5 172.6 -66.3 112.7 30.4 -1.6 -114.2 110 165 A K >> + 0 0 141 -2,-0.5 3,-1.6 -3,-0.1 4,-0.7 -0.530 41.5 7.7-110.3 178.8 27.7 1.1 -114.7 111 166 A N T 34 S- 0 0 123 1,-0.3 3,-0.5 -2,-0.2 4,-0.1 -0.122 126.1 -28.2 54.2-137.8 27.5 4.3 -116.8 112 167 A G T >4 S+ 0 0 50 1,-0.2 3,-0.8 2,-0.1 -1,-0.3 0.338 119.2 90.1 -92.4 4.3 30.3 4.9 -119.2 113 168 A E T <4 S+ 0 0 78 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.845 81.3 59.9 -66.4 -33.7 32.7 2.9 -117.1 114 169 A S T 3< S+ 0 0 27 -4,-0.7 -10,-1.3 -3,-0.5 2,-0.3 0.706 104.7 62.1 -66.2 -21.8 31.7 -0.2 -119.0 115 170 A N E < +G 103 0B 75 -3,-0.8 2,-0.3 -12,-0.2 -12,-0.2 -0.744 57.8 177.7-112.6 157.0 32.9 1.4 -122.2 116 171 A L E -G 102 0B 47 -14,-2.3 -14,-2.9 -2,-0.3 2,-0.4 -0.978 10.8-157.4-147.3 152.3 36.2 2.7 -123.5 117 172 A T E -G 101 0B 64 -2,-0.3 2,-0.6 -16,-0.2 -16,-0.2 -0.997 5.5-155.1-135.6 136.2 37.5 4.2 -126.8 118 173 A V E -G 100 0B 14 -18,-1.7 -18,-1.4 -2,-0.4 8,-0.1 -0.947 4.2-161.0-109.6 119.4 41.0 4.2 -128.1 119 174 A E S S+ 0 0 118 -2,-0.6 -1,-0.2 1,-0.3 99,-0.0 0.951 92.8 20.2 -65.7 -53.9 41.6 7.1 -130.5 120 175 A N S S- 0 0 115 -21,-0.1 -1,-0.3 2,-0.1 5,-0.2 -0.750 92.7-150.3-113.9 79.9 44.7 5.6 -132.1 121 176 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.310 29.5 157.9 -58.7 122.1 44.2 1.9 -131.2 122 177 A S > - 0 0 59 -2,-0.1 4,-3.5 1,-0.1 5,-0.4 -0.980 54.9-107.1-146.0 149.5 47.6 0.2 -130.9 123 178 A N H > S+ 0 0 26 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.832 122.9 43.5 -52.0 -40.9 48.5 -3.0 -129.1 124 179 A S H > S+ 0 0 71 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.979 116.1 46.5 -60.5 -59.9 50.3 -1.0 -126.4 125 180 A T H > S+ 0 0 51 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.867 119.9 39.4 -54.1 -44.1 47.6 1.7 -126.2 126 181 A V H X S+ 0 0 1 -4,-3.5 4,-2.9 2,-0.2 5,-0.3 0.919 113.9 51.5 -75.2 -45.6 44.8 -0.9 -126.0 127 182 A R H X S+ 0 0 113 -4,-2.3 4,-2.4 -5,-0.4 -2,-0.2 0.925 114.5 44.9 -59.3 -43.6 46.5 -3.5 -123.8 128 183 A T H X S+ 0 0 61 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.852 112.8 53.2 -68.3 -33.2 47.3 -0.8 -121.3 129 184 A A H X S+ 0 0 20 -4,-1.2 4,-2.4 -5,-0.3 -2,-0.2 0.954 113.8 38.7 -66.5 -52.3 43.8 0.6 -121.6 130 185 A V H X S+ 0 0 12 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.905 115.7 54.1 -64.9 -42.0 42.0 -2.7 -120.8 131 186 A N H X S+ 0 0 49 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.898 111.1 46.9 -57.0 -39.4 44.6 -3.6 -118.2 132 187 A N H X S+ 0 0 83 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.889 109.8 50.5 -72.1 -43.4 43.9 -0.2 -116.5 133 188 A L H X S+ 0 0 12 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.911 110.8 51.3 -59.9 -41.4 40.1 -0.6 -116.6 134 189 A V H X S+ 0 0 5 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.940 108.7 50.6 -58.1 -47.3 40.6 -4.0 -115.1 135 190 A E H X S+ 0 0 86 -4,-2.1 4,-1.1 1,-0.3 -1,-0.2 0.824 106.1 55.4 -62.2 -35.0 42.8 -2.4 -112.4 136 191 A K H X S+ 0 0 155 -4,-2.1 4,-1.1 1,-0.2 3,-0.3 0.916 112.3 44.8 -55.6 -44.9 40.0 0.2 -111.8 137 192 A W H <>S+ 0 0 8 -4,-2.0 5,-2.6 1,-0.2 4,-0.4 0.775 103.6 62.5 -74.9 -30.4 37.7 -2.8 -111.2 138 193 A I H <5S+ 0 0 37 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.777 111.5 36.3 -71.8 -29.1 40.1 -4.8 -109.0 139 194 A Q H <5S+ 0 0 127 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.743 129.5 34.4 -90.2 -24.0 40.2 -2.2 -106.2 140 195 A N T ><5S+ 0 0 89 -4,-1.1 3,-0.6 -5,-0.2 4,-0.4 0.930 130.8 11.2 -94.6 -78.1 36.6 -1.2 -106.6 141 196 A Y G >>5S+ 0 0 39 -4,-0.4 4,-3.8 1,-0.2 3,-0.8 0.754 108.7 78.7 -83.7 -20.2 34.1 -3.9 -107.6 142 197 A S G 34 - 0 0 14 1,-0.1 4,-1.4 178,-0.0 -1,-0.5 -0.833 55.0-127.6-125.2 160.9 46.3 -38.4 -135.5 161 216 A M H > S+ 0 0 99 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.761 114.8 55.0 -72.1 -27.2 48.5 -35.3 -135.6 162 217 A S H > S+ 0 0 17 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.860 106.6 46.8 -72.5 -42.3 46.2 -34.2 -138.4 163 218 A Q H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.812 106.4 56.3 -76.7 -29.0 42.9 -34.5 -136.5 164 219 A L H X S+ 0 0 6 -4,-1.4 4,-2.6 1,-0.2 5,-0.3 0.879 105.5 55.2 -66.0 -35.4 44.2 -32.7 -133.4 165 220 A Q H X S+ 0 0 65 -4,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.835 109.1 47.7 -58.3 -37.5 45.0 -29.9 -135.8 166 221 A A H < S+ 0 0 5 -4,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.890 116.1 40.9 -73.8 -41.4 41.3 -30.0 -136.9 167 222 A K H < S+ 0 0 57 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.929 131.1 21.2 -76.4 -48.7 39.8 -30.0 -133.4 168 223 A F H < S- 0 0 10 -4,-2.6 4,-0.2 1,-0.3 -3,-0.2 0.323 116.9 -97.5-107.8 7.6 42.0 -27.5 -131.6 169 224 A G >< - 0 0 12 -4,-0.7 3,-1.0 -5,-0.3 4,-0.3 0.020 34.0 -82.6 97.1 155.5 43.4 -25.6 -134.6 170 225 A A T > S+ 0 0 18 -84,-0.5 3,-2.1 1,-0.2 4,-0.3 0.833 117.8 76.5 -60.2 -33.2 46.6 -25.7 -136.6 171 226 A D T >> S+ 0 0 6 1,-0.3 3,-2.0 -85,-0.2 4,-1.2 0.803 77.3 72.3 -47.6 -36.4 48.2 -23.6 -133.9 172 227 A F H <> S+ 0 0 17 -3,-1.0 4,-3.0 1,-0.3 -1,-0.3 0.818 77.9 79.0 -54.6 -32.0 48.5 -26.5 -131.5 173 228 A S H <4 S+ 0 0 58 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.823 104.1 33.4 -45.0 -41.4 51.3 -27.9 -133.7 174 229 A K H X4 S+ 0 0 112 -3,-2.0 3,-1.1 -4,-0.3 -1,-0.2 0.927 120.6 45.6 -81.8 -48.3 53.6 -25.4 -132.1 175 230 A V H 3< S+ 0 0 37 -4,-1.2 -2,-0.2 1,-0.2 4,-0.2 0.868 111.1 50.5 -68.5 -37.9 52.3 -25.2 -128.5 176 231 A G T 3< S+ 0 0 9 -4,-3.0 3,-0.3 1,-0.2 -1,-0.2 0.310 84.0 99.1 -85.3 7.7 51.8 -29.0 -127.9 177 232 A A S X S+ 0 0 65 -3,-1.1 3,-1.3 -5,-0.3 4,-0.3 0.938 76.9 47.5 -61.4 -53.0 55.3 -29.9 -129.0 178 233 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.678 92.0 76.3 -73.7 -13.4 57.2 -30.2 -125.7 179 234 A L T 3 S- 0 0 14 -3,-0.3 -2,-0.1 -4,-0.2 -3,-0.1 0.520 100.3-127.8 -74.7 -3.1 54.7 -32.4 -123.8 180 235 A N < - 0 0 123 -3,-1.3 2,-0.5 -4,-0.2 -3,-0.1 0.982 25.6-162.0 60.4 77.9 55.9 -35.4 -125.9 181 236 A V - 0 0 38 -4,-0.3 2,-0.8 -5,-0.2 -1,-0.2 -0.795 3.5-158.2 -89.9 126.9 53.0 -37.2 -127.7 182 237 A D > + 0 0 78 -2,-0.5 4,-1.0 1,-0.2 3,-0.3 -0.869 14.7 175.3-106.3 99.9 53.8 -40.7 -128.9 183 238 A F H > S+ 0 0 47 -2,-0.8 4,-2.6 1,-0.2 5,-0.3 0.894 76.3 65.0 -69.9 -41.8 51.3 -41.6 -131.6 184 239 A S H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.813 98.4 57.2 -50.6 -37.0 53.0 -44.9 -132.4 185 240 A S H 4>S+ 0 0 16 -3,-0.3 5,-2.0 2,-0.2 6,-0.8 0.958 108.8 43.3 -55.8 -56.8 52.0 -46.1 -128.9 186 241 A V H ><5S+ 0 0 10 -4,-1.0 3,-1.3 -3,-0.3 -2,-0.2 0.909 114.3 49.9 -58.3 -45.8 48.3 -45.4 -129.5 187 242 A H H 3<5S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 109.2 52.9 -67.6 -26.3 48.4 -47.0 -132.9 188 243 A K T 3<5S- 0 0 128 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.484 112.8-124.6 -84.3 -5.4 50.1 -50.0 -131.4 189 244 A G T < 5S+ 0 0 1 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.676 83.8 109.9 70.9 18.2 47.3 -50.2 -128.8 190 245 A E S S- 0 0 14 1,-0.1 3,-1.3 0, 0.0 4,-0.1 -0.926 77.2-107.5-143.2 162.1 30.7 2.3 -141.3 213 268 A P G > S+ 0 0 32 0, 0.0 3,-1.3 0, 0.0 4,-0.1 0.847 123.7 59.2 -55.0 -34.7 33.7 0.5 -142.7 214 269 A S G > S+ 0 0 13 1,-0.3 3,-1.1 2,-0.2 -3,-0.1 0.646 87.8 73.6 -69.4 -17.3 35.3 3.9 -142.6 215 270 A A G < S+ 0 0 37 -3,-1.3 -1,-0.3 1,-0.2 -4,-0.1 0.484 86.4 64.9 -77.7 -2.9 34.7 4.1 -138.8 216 271 A L G < S+ 0 0 6 -3,-1.3 -118,-1.0 -4,-0.1 2,-0.3 0.522 103.5 48.0 -94.8 -6.2 37.5 1.6 -138.3 217 272 A F B < S-O 97 0C 30 -3,-1.1 -120,-0.2 -120,-0.3 -118,-0.1 -0.933 79.1-117.6-134.1 154.1 40.2 4.0 -139.6 218 273 A G - 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0 0 58 -2,-1.1 3,-1.9 -3,-0.2 4,-0.2 -0.608 64.3-107.1-102.1 159.6 19.4 -23.9 -59.3 1069 72 D N G > S+ 0 0 31 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.799 110.6 65.9 -53.9 -40.1 19.1 -20.5 -61.1 1070 73 D E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.527 84.5 77.6 -63.2 -4.7 22.8 -19.9 -61.7 1071 74 D Q G < S+ 0 0 56 -3,-1.9 2,-0.4 -12,-0.1 -1,-0.3 0.705 90.5 59.6 -81.3 -19.4 22.9 -22.9 -64.1 1072 75 D L S < S- 0 0 27 -3,-1.8 2,-0.9 -4,-0.2 -13,-0.0 -0.876 74.6-138.7-112.2 144.7 21.2 -20.9 -66.9 1073 76 D E 0 0 164 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.0 -0.829 360.0 360.0-101.0 92.7 22.4 -17.7 -68.6 1074 77 D N 0 0 164 -2,-0.9 -1,-0.2 -17,-0.0 -47,-0.1 0.127 360.0 360.0 29.2 360.0 19.2 -15.7 -69.0