==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-AUG-02 1IYL . COMPND 2 MOLECULE: MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR S.SOGABE,T.A.FUKAMI,K.MORIKAMI,Y.SHIRATORI,Y.AOKI,A.D'ARCY, . 1525 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 73842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 936 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 271 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 106 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.2 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 1 4 2 4 3 0 2 1 3 7 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 6 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 . 9 7 9 4 11 4 3 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 3 1 0 2 0 1 0 0 0 0 0 1 1 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 68 A T 0 0 150 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 151.5 49.4 57.1 22.4 2 69 A P + 0 0 135 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.543 360.0 168.2 -66.8 142.2 50.6 54.9 24.0 3 70 A E - 0 0 83 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.857 51.2-130.3-127.7 165.2 50.5 57.7 26.6 4 71 A D S S+ 0 0 146 1,-0.3 -1,-0.1 -2,-0.3 512,-0.0 0.871 104.6 15.3 -76.7 -40.4 51.0 58.1 30.3 5 72 A V S S- 0 0 11 -3,-0.1 -1,-0.3 511,-0.1 507,-0.0 -0.985 92.2-109.2-138.8 125.3 47.8 60.0 30.5 6 73 A P - 0 0 71 0, 0.0 510,-0.1 0, 0.0 4,-0.1 -0.183 23.5-146.7 -51.1 140.6 45.1 60.0 27.8 7 74 A N S S+ 0 0 113 2,-0.1 509,-0.0 509,-0.0 0, 0.0 0.911 73.4 64.5 -81.6 -43.4 44.9 63.4 26.1 8 75 A D S S- 0 0 113 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.480 94.1 -91.7 -84.5 155.3 41.2 63.7 25.3 9 76 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.091 42.4-112.8 -56.3 156.6 38.4 63.9 28.0 10 77 A L - 0 0 46 1,-0.1 499,-0.0 495,-0.1 502,-0.0 -0.595 41.6 -77.3 -95.6 159.4 36.7 60.8 29.2 11 78 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.001 38.2-137.0 -50.3 151.1 33.0 59.8 28.6 12 79 A L - 0 0 19 381,-0.2 381,-0.1 385,-0.2 490,-0.0 -0.776 39.7 -78.2-108.7 155.9 30.1 61.3 30.5 13 80 A I - 0 0 32 -2,-0.3 383,-0.4 382,-0.1 384,-0.4 -0.107 49.7-157.4 -54.1 152.3 27.2 59.2 31.9 14 81 A S - 0 0 17 381,-0.1 381,-0.1 2,-0.1 -1,-0.1 -0.863 27.3-134.7-128.6 164.2 24.5 58.1 29.4 15 82 A D S S+ 0 0 74 379,-0.4 62,-2.4 -2,-0.3 63,-0.4 0.504 87.8 72.3 -95.7 -3.5 20.9 57.0 29.5 16 83 A F E -A 76 0A 27 378,-0.3 2,-0.3 60,-0.2 377,-0.2 -0.822 60.2-165.8-114.6 150.8 21.6 54.1 27.2 17 84 A E E -A 75 0A 92 58,-2.4 58,-2.2 -2,-0.3 2,-0.1 -0.995 29.4-104.3-136.8 143.1 23.4 50.8 27.6 18 85 A W E -A 74 0A 48 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.396 37.3-176.7 -64.8 131.5 24.8 48.2 25.1 19 86 A S E -A 73 0A 25 54,-3.4 54,-0.8 -2,-0.1 2,-0.3 -0.898 19.9-143.5-137.0 110.0 22.7 45.0 24.9 20 87 A T E -A 72 0A 71 -2,-0.4 52,-0.2 52,-0.2 2,-0.2 -0.518 28.1-132.0 -69.4 126.7 23.5 42.0 22.7 21 88 A L - 0 0 0 50,-2.3 2,-0.5 -2,-0.3 50,-0.2 -0.482 8.6-149.0 -83.1 153.9 20.3 40.6 21.3 22 89 A D > - 0 0 44 3,-0.2 3,-1.7 -2,-0.2 7,-0.5 -0.834 11.2-176.4-123.8 88.5 19.4 36.9 21.4 23 90 A I T 3 S+ 0 0 4 -2,-0.5 -1,-0.1 1,-0.3 38,-0.0 0.435 83.0 70.1 -67.9 6.3 17.3 36.0 18.3 24 91 A D T 3 S+ 0 0 89 1,-0.1 2,-1.0 2,-0.0 -1,-0.3 0.798 84.2 73.5 -87.8 -34.4 17.0 32.5 19.8 25 92 A D S X> S- 0 0 58 -3,-1.7 4,-2.1 1,-0.2 3,-1.8 -0.705 78.1-151.6 -81.8 107.9 14.8 33.9 22.6 26 93 A N H 3> S+ 0 0 96 -2,-1.0 4,-1.5 1,-0.3 -1,-0.2 0.797 91.8 65.6 -50.4 -30.6 11.6 34.5 20.8 27 94 A L H 3> S+ 0 0 128 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.846 107.2 39.0 -62.9 -35.6 10.8 37.3 23.3 28 95 A Q H X> S+ 0 0 42 -3,-1.8 4,-2.4 -6,-0.4 3,-1.1 0.913 108.4 59.5 -81.3 -44.2 13.7 39.4 22.0 29 96 A L H 3X S+ 0 0 2 -4,-2.1 4,-1.8 -7,-0.5 -2,-0.2 0.845 104.0 56.8 -52.1 -28.9 13.2 38.5 18.4 30 97 A D H 3X S+ 0 0 71 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.3 0.861 104.8 48.8 -69.8 -37.0 9.7 40.0 19.1 31 98 A E H - 0 0 35 -2,-0.3 3,-2.4 1,-0.1 5,-0.3 -0.611 63.0-127.8 -75.2 128.1 8.8 54.5 0.8 44 111 A I T 3 S+ 0 0 143 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.833 109.7 64.7 -41.4 -42.5 9.9 58.2 1.1 45 112 A D T 3 S- 0 0 121 1,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.857 109.1-128.8 -52.2 -39.4 6.2 59.1 0.7 46 113 A A S < S+ 0 0 64 -3,-2.4 -2,-0.1 2,-0.0 3,-0.1 0.946 75.0 102.5 85.1 94.9 5.6 57.4 4.1 47 114 A T + 0 0 58 -4,-0.2 228,-1.5 1,-0.2 2,-0.3 0.119 65.1 85.3 164.0 3.8 2.6 54.6 4.0 48 115 A F E -N 274 0B 11 -5,-0.3 2,-0.3 226,-0.2 -1,-0.2 -0.943 49.0-175.0-129.4 151.5 4.6 51.4 3.7 49 116 A R E -N 273 0B 51 224,-0.5 224,-0.8 -2,-0.3 -7,-0.1 -0.987 33.2-111.6-145.1 132.3 6.2 49.2 6.4 50 117 A F E -N 272 0B 35 -9,-0.4 2,-0.9 -2,-0.3 222,-0.2 -0.376 26.4-136.7 -62.2 143.3 8.4 46.1 5.8 51 118 A K - 0 0 73 220,-2.5 -1,-0.1 2,-0.0 221,-0.1 -0.590 26.4-168.0-103.5 72.5 6.5 43.0 6.9 52 119 A Y - 0 0 12 -2,-0.9 2,-0.4 -19,-0.1 3,-0.1 -0.111 2.7-157.6 -55.1 152.6 9.3 41.2 8.7 53 120 A S >> - 0 0 40 1,-0.1 4,-1.7 -20,-0.0 3,-1.6 -0.992 28.7-123.0-136.7 147.3 8.5 37.6 9.6 54 121 A H H 3> S+ 0 0 46 -2,-0.4 4,-1.4 1,-0.3 5,-0.1 0.851 117.7 53.4 -54.6 -31.3 10.0 35.3 12.3 55 122 A E H 3> S+ 0 0 135 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.689 105.2 54.4 -76.9 -19.0 10.9 33.0 9.4 56 123 A F H <> S+ 0 0 6 -3,-1.6 4,-2.8 2,-0.2 5,-0.2 0.790 104.9 52.0 -82.6 -34.5 12.7 35.8 7.6 57 124 A F H X S+ 0 0 1 -4,-1.7 4,-2.9 2,-0.2 5,-0.4 0.905 105.0 54.2 -69.9 -44.3 15.0 36.6 10.5 58 125 A Q H X S+ 0 0 70 -4,-1.4 4,-0.8 -5,-0.2 -1,-0.2 0.882 115.7 42.7 -58.2 -34.1 16.2 33.1 10.9 59 126 A W H < S+ 0 0 6 -4,-0.6 -2,-0.2 2,-0.2 3,-0.2 0.970 119.9 38.2 -75.2 -54.9 17.1 33.2 7.3 60 127 A A H < S+ 0 0 2 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.900 125.9 34.2 -64.5 -45.5 18.7 36.6 7.0 61 128 A L H < S+ 0 0 1 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.471 110.7 57.2 -96.9 -0.6 20.5 36.6 10.3 62 129 A K < + 0 0 47 -4,-0.8 -1,-0.2 -5,-0.4 3,-0.1 -0.165 62.1 155.8-121.9 46.0 21.6 33.0 11.0 63 130 A P > - 0 0 1 0, 0.0 3,-1.5 0, 0.0 2,-0.2 -0.227 65.1 -74.6 -61.8 162.4 23.7 32.1 8.0 64 131 A P T 3 S+ 0 0 30 0, 0.0 168,-0.0 0, 0.0 -2,-0.0 -0.430 125.6 27.9 -62.2 125.7 26.1 29.3 8.8 65 132 A G T 3 S+ 0 0 59 1,-0.2 2,-0.1 -2,-0.2 -3,-0.0 0.609 85.6 151.5 99.7 13.6 28.8 30.8 10.9 66 133 A W < - 0 0 63 -3,-1.5 2,-0.4 -4,-0.1 -1,-0.2 -0.363 32.1-146.2 -74.6 158.4 26.8 33.6 12.4 67 134 A R > - 0 0 90 21,-0.4 3,-1.0 1,-0.1 21,-0.2 -0.987 13.0-145.9-128.9 139.0 27.7 35.0 15.8 68 135 A K G > S+ 0 0 64 -2,-0.4 3,-3.2 1,-0.2 -47,-0.2 0.923 98.6 65.1 -67.6 -43.5 25.3 36.4 18.6 69 136 A D G 3 S+ 0 0 43 1,-0.3 -1,-0.2 -49,-0.1 63,-0.1 0.587 94.0 63.2 -56.8 -7.9 27.8 39.0 19.7 70 137 A W G < S+ 0 0 7 -3,-1.0 2,-1.1 1,-0.1 18,-0.9 0.417 82.0 84.2 -96.1 -0.6 27.4 40.6 16.3 71 138 A H E < + B 0 87A 1 -3,-3.2 -50,-2.3 -50,-0.2 2,-0.4 -0.790 69.3 179.9-101.1 86.8 23.8 41.3 17.0 72 139 A V E +AB 20 86A 0 14,-1.7 14,-1.7 -2,-1.1 2,-0.3 -0.740 7.6 171.3 -97.4 138.0 24.2 44.6 18.8 73 140 A G E -AB 19 85A 0 -54,-0.8 -54,-3.4 -2,-0.4 2,-0.5 -0.947 25.4-135.6-140.3 160.1 21.4 46.7 20.2 74 141 A V E -AB 18 84A 0 10,-2.2 9,-2.8 -2,-0.3 10,-1.1 -0.980 22.7-172.4-121.6 123.9 21.1 49.7 22.4 75 142 A R E -AB 17 82A 32 -58,-2.2 -58,-2.4 -2,-0.5 2,-0.6 -0.756 29.6-108.9-111.9 159.8 18.4 49.8 25.3 76 143 A V E > -A 16 0A 26 5,-2.3 4,-2.8 -2,-0.3 -60,-0.2 -0.759 24.7-141.0 -87.2 123.6 17.3 52.6 27.6 77 144 A K T 4 S+ 0 0 99 -62,-2.4 -1,-0.2 -2,-0.6 -61,-0.1 0.915 94.1 52.2 -51.1 -49.4 18.5 51.9 31.1 78 145 A S T 4 S+ 0 0 103 -63,-0.4 -1,-0.2 1,-0.2 -62,-0.0 0.951 127.9 12.6 -50.7 -71.6 15.3 53.0 32.8 79 146 A T T 4 S- 0 0 108 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.622 93.6-122.8 -85.9 -19.1 12.6 51.0 31.0 80 147 A G < + 0 0 28 -4,-2.8 -3,-0.1 1,-0.3 -2,-0.1 0.306 52.6 161.6 93.4 -12.4 14.7 48.5 29.2 81 148 A K - 0 0 96 -6,-0.2 -5,-2.3 -5,-0.2 2,-0.7 -0.118 41.3-125.3 -45.9 131.4 13.3 49.6 25.8 82 149 A L E +B 75 0A 10 -7,-0.2 -7,-0.3 1,-0.1 -1,-0.1 -0.748 39.0 163.3 -84.0 115.0 15.3 48.5 22.7 83 150 A V E + 0 0 7 -9,-2.8 30,-2.6 -2,-0.7 2,-0.3 0.473 56.2 27.7-115.0 -3.6 16.0 51.7 20.7 84 151 A A E +BC 74 112A 0 -10,-1.1 -10,-2.2 28,-0.2 2,-0.3 -0.990 54.3 175.2-156.6 154.2 18.8 50.8 18.3 85 152 A F E +BC 73 111A 0 26,-2.1 26,-2.7 -2,-0.3 2,-0.3 -0.977 5.4 175.0-155.3 155.7 20.2 47.7 16.5 86 153 A I E -B 72 0A 1 -14,-1.7 -14,-1.7 -2,-0.3 2,-0.3 -0.873 16.7-157.3-164.2 133.0 22.9 46.9 13.9 87 154 A A E -BC 71 108A 0 21,-3.3 21,-3.1 -2,-0.3 2,-0.4 -0.890 8.0-156.3-124.7 156.4 23.9 43.5 12.8 88 155 A A E - C 0 107A 1 -18,-0.9 -21,-0.4 -2,-0.3 19,-0.2 -0.995 9.9-170.8-128.9 130.0 26.9 41.8 11.2 89 156 A T E - C 0 106A 10 17,-0.9 17,-2.0 -2,-0.4 -23,-0.1 -0.981 28.9-109.6-126.1 132.3 26.8 38.7 9.1 90 157 A P E + C 0 105A 25 0, 0.0 2,-0.3 0, 0.0 15,-0.3 -0.251 44.5 164.1 -60.1 135.3 29.8 36.7 7.9 91 158 A V E - C 0 104A 8 13,-3.2 13,-2.4 11,-0.1 2,-0.6 -0.991 30.6-143.1-152.2 146.4 30.5 36.8 4.2 92 159 A T E + C 0 103A 24 -2,-0.3 135,-3.0 135,-0.3 2,-0.3 -0.927 26.8 176.4-114.6 110.0 33.4 35.9 1.9 93 160 A F E -DC 226 102A 0 9,-1.4 9,-3.0 -2,-0.6 2,-0.3 -0.774 9.2-160.6-112.3 159.7 33.9 38.2 -1.0 94 161 A K E -DC 225 101A 30 131,-1.9 131,-2.0 -2,-0.3 2,-0.6 -0.994 18.0-131.8-139.2 145.2 36.6 38.3 -3.7 95 162 A L E >> -DC 224 100A 5 5,-2.0 5,-1.5 -2,-0.3 4,-0.5 -0.841 13.7-160.5 -95.5 125.2 37.9 40.8 -6.2 96 163 A N T 45S+ 0 0 28 127,-1.2 -1,-0.1 -2,-0.6 127,-0.1 0.805 85.2 52.8 -74.8 -30.3 38.2 39.2 -9.7 97 164 A K T 45S+ 0 0 157 126,-0.5 -1,-0.1 1,-0.2 127,-0.1 0.993 121.9 25.9 -69.5 -62.5 40.7 41.8 -11.1 98 165 A S T 45S- 0 0 76 125,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.491 106.8-127.2 -80.7 -1.3 43.4 41.6 -8.4 99 166 A N T <5 + 0 0 112 -4,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.982 52.0 145.3 54.2 79.6 42.4 38.1 -7.5 100 167 A K E < -C 95 0A 115 -5,-1.5 -5,-2.0 2,-0.0 2,-0.5 -0.946 40.8-147.9-154.5 131.3 41.9 38.2 -3.7 101 168 A V E -C 94 0A 70 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.830 17.7-172.2 -94.9 123.6 39.6 36.5 -1.2 102 169 A I E -C 93 0A 15 -9,-3.0 -9,-1.4 -2,-0.5 2,-0.7 -0.890 16.3-146.9-123.3 103.1 38.7 38.6 1.8 103 170 A D E +C 92 0A 109 -2,-0.5 36,-0.3 -11,-0.2 37,-0.3 -0.529 48.2 131.3 -68.1 110.1 36.8 37.0 4.7 104 171 A S E -C 91 0A 4 -13,-2.4 -13,-3.2 -2,-0.7 2,-0.3 -0.582 46.0-101.7-139.3-158.2 34.7 39.9 6.0 105 172 A V E -Ce 90 141A 0 35,-0.7 37,-1.9 -15,-0.3 2,-0.5 -0.814 15.4-122.1-133.3 173.9 31.1 40.7 7.0 106 173 A E E -Ce 89 142A 18 -17,-2.0 -17,-0.9 -2,-0.3 2,-0.6 -0.933 23.4-146.5-120.5 101.6 27.9 42.5 5.8 107 174 A I E +C 88 0A 15 35,-2.1 37,-0.4 -2,-0.5 2,-0.3 -0.558 37.6 160.3 -71.9 115.4 26.8 45.3 8.1 108 175 A N E +C 87 0A 25 -21,-3.1 -21,-3.3 -2,-0.6 -2,-0.0 -0.875 36.3 34.4-136.0 168.5 23.0 45.2 7.9 109 176 A F E + 0 0 13 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.746 60.4 179.0 62.4 29.6 19.8 46.3 9.7 110 177 A L E + 0 0 72 -3,-0.1 2,-0.4 -24,-0.1 -24,-0.2 -0.505 14.6 168.6 -65.1 113.7 21.2 49.6 11.1 111 178 A C E -C 85 0A 4 -26,-2.7 -26,-2.1 -2,-0.5 2,-0.4 -0.988 21.6-178.3-138.8 133.4 18.2 51.0 12.9 112 179 A I E -C 84 0A 17 -2,-0.4 -28,-0.2 -73,-0.3 4,-0.2 -0.975 43.7 -88.7-128.2 138.9 17.6 53.9 15.4 113 180 A H > - 0 0 42 -30,-2.6 3,-1.6 -2,-0.4 4,-0.1 -0.146 37.0-117.8 -49.1 131.2 14.3 54.9 17.0 114 181 A K T 3 S+ 0 0 108 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.716 115.2 48.0 -39.6 -32.4 12.3 57.3 15.0 115 182 A K T 3 S+ 0 0 182 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 -0.275 102.4 62.3-109.7 45.7 12.7 59.8 17.9 116 183 A L S < S+ 0 0 29 -3,-1.6 3,-0.4 -4,-0.2 5,-0.3 0.078 70.7 122.5-151.5 18.1 16.4 59.5 18.4 117 184 A R + 0 0 112 -3,-0.4 -4,-0.0 1,-0.2 -3,-0.0 -0.502 60.0 42.3 -85.3 160.2 17.8 60.6 15.2 118 185 A N S S+ 0 0 161 -2,-0.2 -1,-0.2 1,-0.0 -3,-0.0 0.861 82.7 105.0 74.8 35.6 20.3 63.5 15.0 119 186 A K S S- 0 0 85 -3,-0.4 276,-0.1 275,-0.0 -2,-0.1 0.273 92.0-114.6-126.9 8.1 22.2 62.3 18.0 120 187 A R S > S+ 0 0 190 1,-0.1 4,-1.2 274,-0.1 -3,-0.1 0.800 80.0 129.9 61.0 27.5 25.3 61.0 16.2 121 188 A L H > + 0 0 2 -5,-0.3 4,-2.1 2,-0.2 -4,-0.1 0.918 58.2 65.0 -76.4 -43.3 24.1 57.7 17.5 122 189 A A H >> S+ 0 0 35 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.921 102.3 47.4 -43.9 -59.7 24.4 56.1 14.1 123 190 A P H >> S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 3,-1.0 0.941 107.2 56.0 -50.4 -51.4 28.1 56.5 14.0 124 191 A V H 3X S+ 0 0 28 -4,-1.2 4,-1.3 1,-0.3 -2,-0.2 0.876 104.2 56.1 -49.1 -39.8 28.6 55.1 17.5 125 192 A L H < S+ 0 0 36 -4,-2.5 3,-0.9 2,-0.2 4,-0.4 0.946 115.4 47.6 -63.8 -47.7 33.6 43.5 17.8 133 200 A V H ><>S+ 0 0 4 -4,-2.6 3,-2.4 1,-0.3 5,-1.3 0.911 105.7 57.1 -58.9 -46.7 34.2 42.4 14.2 134 201 A N H ><5S+ 0 0 29 -4,-3.9 3,-1.1 1,-0.3 -1,-0.3 0.698 96.8 68.0 -59.1 -18.9 37.9 43.5 14.3 135 202 A K T <<5S+ 0 0 105 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.714 96.0 52.0 -73.5 -20.9 38.1 41.2 17.3 136 203 A Q T < 5S- 0 0 90 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.191 123.5-106.5 -99.4 15.3 37.6 38.2 15.0 137 204 A N T < 5S+ 0 0 119 -3,-1.1 2,-0.4 1,-0.3 -3,-0.2 0.674 78.6 133.6 70.4 21.2 40.5 39.5 12.8 138 205 A I < + 0 0 26 -5,-1.3 -1,-0.3 -8,-0.1 -2,-0.2 -0.864 26.2 174.2-101.2 136.3 38.1 40.6 10.0 139 206 A W + 0 0 101 -2,-0.4 2,-0.3 -36,-0.3 -1,-0.1 0.391 50.3 66.5-127.1 1.7 39.0 44.1 8.8 140 207 A Q - 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0 0 130 1,-0.1 201,-0.4 -2,-0.1 2,-0.2 0.969 69.9-173.5 58.1 65.5 34.3 56.9 -1.2 152 219 A P - 0 0 50 0, 0.0 199,-0.2 0, 0.0 -1,-0.1 -0.629 31.4-126.0 -89.4 147.5 31.6 54.4 -2.3 153 220 A L S S- 0 0 17 197,-1.9 207,-1.1 -2,-0.2 2,-0.3 0.960 76.9 -51.3 -52.5 -60.1 32.3 51.5 -4.6 154 221 A T - 0 0 14 196,-0.4 196,-1.7 205,-0.2 2,-0.4 -0.915 53.8-104.0-163.4-175.9 29.5 52.6 -7.0 155 222 A T E -G 349 0A 36 -2,-0.3 209,-0.6 205,-0.2 2,-0.2 -0.992 25.2-170.4-133.1 129.2 25.9 53.5 -7.1 156 223 A C E -G 348 0A 0 192,-1.5 192,-2.3 -2,-0.4 2,-0.3 -0.702 13.9-138.9-108.9 162.8 22.9 51.4 -8.3 157 224 A R E -G 347 0A 22 205,-0.3 190,-0.2 -2,-0.2 172,-0.1 -0.907 22.1 -99.4-126.2 152.7 19.3 52.5 -8.9 158 225 A Y E - 0 0 92 188,-2.1 186,-2.7 -2,-0.3 2,-0.3 -0.231 31.4-170.7 -66.7 155.5 15.9 50.9 -8.2 159 226 A Q E -GH 343 326A 4 167,-1.2 167,-1.7 184,-0.3 2,-0.5 -0.964 4.4-160.6-148.1 131.5 13.8 49.0 -10.9 160 227 A H E -GH 342 325A 30 182,-4.0 182,-3.3 -2,-0.3 165,-0.2 -0.965 8.0-163.1-124.1 126.0 10.3 47.9 -10.5 161 228 A R E - H 0 324A 5 163,-3.4 163,-2.4 -2,-0.5 2,-0.3 -0.824 21.4-141.3-109.0 95.1 8.5 45.3 -12.5 162 229 A P E + H 0 323A 7 0, 0.0 3,-0.3 0, 0.0 161,-0.2 -0.347 27.9 170.2 -57.0 112.5 4.7 45.6 -12.0 163 230 A I S S+ 0 0 20 159,-1.9 2,-0.2 -2,-0.3 160,-0.2 0.813 84.2 25.7 -91.6 -38.6 3.1 42.2 -11.8 164 231 A N S > S+ 0 0 73 158,-2.1 4,-1.5 1,-0.2 3,-0.4 -0.574 74.2 176.0-123.3 66.8 -0.3 43.5 -10.6 165 232 A W H >> S+ 0 0 6 -3,-0.3 4,-2.1 -2,-0.2 3,-0.8 0.852 72.7 56.2 -36.8 -60.3 -0.4 47.0 -11.9 166 233 A S H 3> S+ 0 0 47 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.876 105.8 47.3 -42.0 -61.7 -3.9 47.8 -10.8 167 234 A K H 3> S+ 0 0 34 -3,-0.4 4,-1.5 1,-0.3 -1,-0.3 0.824 111.9 54.3 -53.3 -33.5 -3.5 47.0 -7.1 168 235 A L H <<>S+ 0 0 0 -4,-1.5 5,-2.1 -3,-0.8 4,-0.3 0.912 106.5 50.2 -66.9 -43.0 -0.4 49.1 -7.2 169 236 A H H ><5S+ 0 0 53 -4,-2.1 3,-0.5 -3,-0.3 -2,-0.2 0.759 104.7 58.9 -65.7 -28.0 -2.3 52.0 -8.6 170 237 A D H 3<5S+ 0 0 78 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.940 105.9 47.6 -67.0 -45.7 -4.9 51.7 -5.9 171 238 A V T 3<5S- 0 0 22 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.450 117.6-113.6 -76.1 0.1 -2.2 52.2 -3.2 172 239 A G T < 5S+ 0 0 35 -3,-0.5 -3,-0.2 -4,-0.3 -2,-0.1 0.730 82.9 117.1 76.8 22.0 -0.8 55.2 -5.1 173 240 A F S > - 0 0 77 -2,-0.2 4,-2.8 1,-0.1 3,-0.7 -0.707 5.4-137.6-175.7 121.0 -6.0 53.8 -19.4 182 249 A K H 3> S+ 0 0 131 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.890 113.1 51.1 -42.2 -47.9 -6.0 51.8 -16.1 183 250 A S H 34 S+ 0 0 103 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.887 113.8 43.5 -59.7 -40.9 -7.6 49.0 -18.1 184 251 A S H X> S+ 0 0 40 -3,-0.7 4,-2.0 2,-0.2 3,-1.4 0.884 107.9 54.9 -73.7 -44.3 -4.9 49.1 -20.8 185 252 A M H 3X S+ 0 0 19 -4,-2.8 4,-1.1 1,-0.3 -1,-0.2 0.875 99.0 66.2 -57.8 -36.8 -1.8 49.4 -18.6 186 253 A V H 3< S+ 0 0 57 -4,-1.6 4,-0.4 -5,-0.4 -1,-0.3 0.810 106.0 42.1 -54.4 -31.7 -3.1 46.3 -16.9 187 254 A A H X4 S+ 0 0 60 -3,-1.4 3,-1.8 -4,-0.4 -2,-0.2 0.931 102.3 64.2 -80.9 -49.8 -2.4 44.5 -20.2 188 255 A S H 3< S+ 0 0 52 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.729 114.9 37.0 -45.9 -21.1 0.9 46.1 -21.0 189 256 A Y T 3< S+ 0 0 45 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.548 89.1 118.7-109.5 -11.3 2.1 44.3 -17.9 190 257 A T < - 0 0 92 -3,-1.8 -26,-0.1 -4,-0.4 -3,-0.1 -0.250 40.5-174.7 -58.3 141.2 0.1 41.1 -18.2 191 258 A L - 0 0 28 1,-0.2 -2,-0.1 -28,-0.2 -1,-0.0 -0.911 30.6 -85.8-134.9 161.2 2.2 37.9 -18.4 192 259 A P - 0 0 63 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.126 29.6-127.3 -54.2 177.8 1.4 34.2 -18.9 193 260 A N S S+ 0 0 91 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.185 87.7 58.5-116.7 15.0 0.5 32.0 -16.0 194 261 A N S S- 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.994 90.7-101.4-148.4 138.1 3.2 29.4 -16.9 195 262 A P - 0 0 47 0, 0.0 5,-0.1 0, 0.0 116,-0.1 -0.390 24.6-155.8 -60.3 116.7 7.0 29.3 -17.3 196 263 A K S S+ 0 0 134 -2,-0.3 112,-0.1 111,-0.2 4,-0.1 0.937 71.8 85.4 -59.0 -50.9 7.9 29.4 -21.0 197 264 A L S > S- 0 0 16 110,-0.2 3,-0.5 2,-0.1 2,-0.1 -0.343 75.0-142.5 -58.0 129.3 11.3 27.8 -20.4 198 265 A K T 3 S+ 0 0 188 1,-0.2 3,-0.1 -2,-0.1 57,-0.1 -0.218 82.4 41.3 -80.8 178.5 11.0 23.9 -20.4 199 266 A G T 3 S+ 0 0 33 1,-0.2 56,-2.9 55,-0.2 2,-0.4 0.676 84.8 141.7 54.8 15.6 13.1 21.9 -18.0 200 267 A L E < +I 254 0A 33 -3,-0.5 54,-0.2 54,-0.3 -1,-0.2 -0.755 17.4 146.4 -91.7 134.6 12.4 24.5 -15.4 201 268 A R E -I 253 0A 61 52,-2.5 52,-3.1 -2,-0.4 -3,-0.0 -0.981 51.6 -80.5-163.6 154.3 11.9 23.3 -11.9 202 269 A P E -I 252 0A 74 0, 0.0 50,-0.3 0, 0.0 2,-0.2 -0.097 53.8-109.9 -51.6 156.0 12.5 24.4 -8.3 203 270 A M - 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