==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 29-DEC-08 3FO8 . COMPND 2 MOLECULE: TAIL SHEATH PROTEIN GP18; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.A.AKSYUK,P.G.LEIMAN,L.P.KUROCHKINA,M.M.SHNEIDER, . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 17 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 2 3 0 1 1 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 . 3 0 1 0 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 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 87 D D 0 0 146 0, 0.0 2,-0.4 0, 0.0 259,-0.1 0.000 360.0 360.0 360.0-124.6 104.6 220.5 33.6 2 88 D T - 0 0 74 257,-0.3 2,-0.3 258,-0.1 0, 0.0 -0.942 360.0-136.6-116.2 129.7 108.2 221.8 34.0 3 89 D A + 0 0 21 -2,-0.4 2,-0.3 138,-0.1 256,-0.2 -0.648 28.3 169.6 -84.1 141.2 111.2 219.5 34.4 4 90 D K B -A 258 0A 42 254,-2.4 138,-2.3 -2,-0.3 254,-2.2 -0.990 29.2-130.8-146.9 144.8 113.9 220.3 37.0 5 91 D N - 0 0 0 102,-3.0 102,-0.4 -2,-0.3 250,-0.1 -0.821 37.9-104.1 -94.5 136.8 116.9 218.5 38.4 6 92 D S + 0 0 0 -2,-0.4 132,-2.1 134,-0.4 250,-0.2 -0.303 51.2 173.2 -59.1 138.5 117.2 218.3 42.1 7 93 D S B -B 255 0B 0 248,-2.4 248,-2.3 130,-0.2 130,-0.1 -0.877 46.6-110.0-142.9 170.9 119.8 220.7 43.4 8 94 D P S S+ 0 0 4 0, 0.0 245,-0.1 0, 0.0 129,-0.1 0.507 106.8 71.2 -83.4 -2.2 121.3 222.1 46.7 9 95 D I S > S+ 0 0 1 96,-0.4 3,-1.7 246,-0.2 93,-0.2 0.916 78.2 81.1 -80.4 -45.5 119.7 225.5 46.0 10 96 D A T 3 S+ 0 0 2 245,-0.4 93,-0.2 1,-0.2 3,-0.1 -0.327 88.9 39.0 -59.6 140.5 116.1 224.6 46.6 11 97 D G T 3 S+ 0 0 10 91,-2.9 -1,-0.2 1,-0.4 54,-0.1 0.214 89.4 115.1 101.8 -15.5 115.3 224.6 50.3 12 98 D N < - 0 0 5 -3,-1.7 90,-3.0 90,-0.1 2,-0.5 -0.403 68.2-116.1 -77.9 163.4 117.4 227.6 51.1 13 99 D I E -C 101 0C 2 46,-0.4 88,-0.2 88,-0.2 46,-0.2 -0.886 27.0-118.8-102.8 131.0 115.8 230.9 52.3 14 100 D E E + 0 0 68 86,-3.0 85,-2.6 -2,-0.5 2,-0.3 -0.416 39.4 177.6 -61.6 141.2 116.1 234.0 50.2 15 101 D Y E -C 98 0C 8 83,-0.2 2,-0.4 -2,-0.1 83,-0.2 -0.989 19.7-161.3-143.9 152.3 118.0 236.8 51.9 16 102 D T E -C 97 0C 82 81,-2.1 81,-2.7 -2,-0.3 2,-1.6 -0.999 20.9-138.1-130.2 133.9 119.2 240.3 51.0 17 103 D I E +C 96 0C 35 -2,-0.4 79,-0.2 79,-0.2 81,-0.0 -0.700 29.3 177.1 -86.1 84.2 121.9 242.2 52.8 18 104 D S E S+ 0 0 59 -2,-1.6 -1,-0.2 77,-0.9 78,-0.2 0.863 74.5 13.1 -59.6 -38.9 119.9 245.4 52.7 19 105 D T E -C 95 0C 62 76,-1.7 76,-2.5 -3,-0.2 -1,-0.3 -0.976 67.4-158.1-141.1 122.3 122.6 247.2 54.7 20 106 D P - 0 0 41 0, 0.0 34,-1.9 0, 0.0 74,-0.3 0.780 25.3-173.6 -75.5 -25.3 126.0 245.6 55.2 21 107 D G - 0 0 14 72,-0.3 2,-0.3 32,-0.2 72,-0.2 -0.286 22.3 -97.2 63.1-151.8 126.9 247.6 58.3 22 108 D S B S+D 92 0D 39 70,-1.8 70,-1.9 31,-0.2 30,-0.3 -0.994 83.5 40.2-161.8 163.1 130.4 247.1 59.7 23 109 D N S S+ 0 0 95 28,-2.4 29,-0.2 -2,-0.3 67,-0.2 0.661 72.7 142.2 67.9 18.6 132.8 245.4 62.1 24 110 D Y - 0 0 18 28,-2.1 2,-0.3 66,-0.2 -1,-0.2 -0.450 36.7-147.1 -81.3 163.7 131.0 242.0 61.8 25 111 D A > - 0 0 45 -2,-0.1 3,-2.1 -3,-0.1 20,-0.3 -0.975 23.9 -97.0-134.2 146.8 133.0 238.7 61.8 26 112 D V T 3 S+ 0 0 86 -2,-0.3 20,-0.2 1,-0.2 3,-0.1 -0.365 112.4 33.4 -54.9 135.7 132.6 235.3 60.1 27 113 D G T 3 S+ 0 0 38 18,-2.7 -1,-0.2 1,-0.4 19,-0.1 0.194 78.2 141.1 97.3 -17.8 130.9 233.0 62.5 28 114 D D < - 0 0 31 -3,-2.1 17,-2.2 17,-0.1 -1,-0.4 -0.372 55.8-114.6 -55.0 135.2 128.8 235.6 64.2 29 115 D K E -E 44 0E 102 15,-0.2 57,-3.2 -3,-0.1 2,-0.4 -0.405 24.1-152.8 -83.3 153.4 125.4 233.9 64.8 30 116 D I E -EF 43 85E 0 13,-1.9 13,-1.7 55,-0.2 2,-0.4 -0.984 3.8-156.7-125.7 134.0 122.1 234.8 63.2 31 117 D T E - F 0 84E 17 53,-2.5 53,-1.9 -2,-0.4 2,-0.5 -0.926 0.9-159.6-111.8 132.5 118.6 234.3 64.7 32 118 D V E -EF 40 83E 0 8,-2.8 7,-2.7 -2,-0.4 8,-1.9 -0.947 16.8-167.4-107.2 130.5 115.4 233.9 62.7 33 119 D K E -EF 38 82E 46 49,-2.2 49,-2.0 -2,-0.5 2,-0.5 -0.862 17.0-147.2-117.9 152.1 112.2 234.6 64.7 34 120 D Y E > S-EF 37 81E 32 3,-2.6 3,-1.8 -2,-0.3 47,-0.2 -0.987 89.5 -15.8-118.4 119.7 108.6 234.0 63.9 35 121 D V T 3 S- 0 0 74 45,-2.9 -1,-0.2 -2,-0.5 46,-0.1 0.921 131.6 -54.1 47.2 46.4 106.3 236.6 65.5 36 122 D S T 3 S+ 0 0 97 44,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.524 114.7 116.7 70.1 10.1 109.2 237.6 67.6 37 123 D D E < S-E 34 0E 111 -3,-1.8 -3,-2.6 1,-0.0 -1,-0.2 -0.917 74.1-103.7-106.5 134.9 109.9 234.1 69.0 38 124 D D E +E 33 0E 94 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.265 47.1 159.1 -54.8 129.7 113.1 232.3 68.2 39 125 D I E S+ 0 0 34 -7,-2.7 2,-0.4 1,-0.3 -6,-0.2 0.676 70.6 17.9-113.8 -46.2 112.8 229.6 65.5 40 126 D E E +E 32 0E 9 -8,-1.9 -8,-2.8 1,-0.1 -1,-0.3 -0.992 54.4 170.0-131.5 123.9 116.4 229.1 64.2 41 127 D T E + 0 0 49 -2,-0.4 -11,-0.2 -10,-0.2 -1,-0.1 0.405 64.1 76.7-112.9 0.8 119.4 230.2 66.2 42 128 D E E + 0 0 95 -13,-0.1 -11,-0.1 18,-0.1 -1,-0.1 0.135 58.9 120.7-106.7 21.5 122.2 228.6 64.2 43 129 D G E -E 30 0E 1 -13,-1.7 -13,-1.9 -3,-0.2 2,-0.3 -0.331 44.2-168.0 -64.8 164.8 122.4 230.9 61.2 44 130 D K E -EG 29 58E 100 14,-2.6 14,-2.8 -15,-0.3 2,-0.4 -0.994 29.7-106.3-157.6 154.3 125.8 232.6 60.7 45 131 D I E + G 0 57E 0 -17,-2.2 -18,-2.7 -2,-0.3 12,-0.3 -0.665 33.6 180.0 -74.0 128.3 127.7 235.2 58.8 46 132 D T E + 0 0 56 10,-2.3 2,-0.3 -2,-0.4 11,-0.2 0.623 60.7 24.4-111.0 -18.3 129.9 233.5 56.3 47 133 D E E + G 0 56E 82 9,-1.8 8,-3.0 -22,-0.1 9,-1.7 -0.974 56.9 168.5-149.7 136.3 131.8 236.3 54.5 48 134 D V E - G 0 54E 34 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.906 29.1-120.8-133.3 163.8 132.7 239.9 55.4 49 135 D D > - 0 0 47 4,-1.6 3,-1.9 -2,-0.3 6,-0.1 -0.307 46.9 -81.4 -93.5-172.6 135.0 242.4 53.8 50 136 D A T 3 S+ 0 0 106 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.784 131.5 49.7 -62.6 -27.4 138.1 244.0 55.4 51 137 D D T 3 S- 0 0 108 2,-0.1 -28,-2.4 -29,-0.0 -1,-0.3 0.292 121.9-104.1 -94.5 8.4 135.9 246.6 57.2 52 138 D G < + 0 0 6 -3,-1.9 -28,-2.1 -30,-0.3 2,-0.2 0.636 65.2 157.6 78.6 14.8 133.5 243.9 58.6 53 139 D K - 0 0 81 -31,-0.2 -4,-1.6 -30,-0.1 2,-0.4 -0.530 49.4-110.0 -69.7 136.8 130.7 244.6 56.1 54 140 D I E +G 48 0E 3 -34,-1.9 -6,-0.2 -2,-0.2 3,-0.1 -0.559 46.2 163.3 -74.0 125.6 128.4 241.6 55.8 55 141 D K E + 0 0 91 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.776 62.7 6.8-108.0 -44.7 128.8 240.0 52.4 56 142 D K E -G 47 0E 63 -9,-1.7 -10,-2.3 75,-0.0 -9,-1.8 -0.985 58.6-178.0-142.6 150.8 127.3 236.5 52.7 57 143 D I E -G 45 0E 0 73,-0.4 2,-0.4 -2,-0.3 -12,-0.2 -0.907 15.1-142.9-137.5 166.6 125.3 234.5 55.4 58 144 D N E -G 44 0E 18 -14,-2.8 -14,-2.6 -2,-0.3 -28,-0.2 -0.986 11.3-172.6-137.8 131.4 123.9 231.1 55.8 59 145 D I - 0 0 5 -2,-0.4 -46,-0.4 -16,-0.2 -16,-0.1 -0.971 21.8-133.9-123.0 115.3 120.6 230.2 57.5 60 146 D P - 0 0 14 0, 0.0 111,-0.3 0, 0.0 4,-0.2 -0.420 17.8-163.0 -62.5 147.3 119.7 226.6 58.1 61 147 D T > + 0 0 3 109,-2.0 4,-3.0 2,-0.1 5,-0.3 0.472 58.3 96.3-118.4 -4.0 116.0 226.0 57.1 62 148 D A H > S+ 0 0 54 109,-2.0 4,-2.1 108,-0.3 5,-0.1 0.933 96.0 37.4 -55.9 -49.3 114.7 222.7 58.7 63 149 D K H > S+ 0 0 126 108,-0.4 4,-2.3 2,-0.2 5,-0.2 0.896 116.9 52.3 -70.4 -39.0 113.1 224.4 61.7 64 150 D I H > S+ 0 0 0 -4,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.940 112.5 45.4 -60.0 -47.3 111.9 227.4 59.7 65 151 D I H X S+ 0 0 27 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.909 111.1 52.2 -65.6 -42.2 110.3 225.2 57.1 66 152 D A H X S+ 0 0 62 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.931 114.6 42.8 -59.9 -45.3 108.6 223.0 59.7 67 153 D K H X S+ 0 0 55 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 110.5 55.4 -67.7 -45.9 107.1 226.0 61.4 68 154 D A H X>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 4,-0.8 0.900 107.8 49.8 -54.8 -43.8 106.1 227.7 58.2 69 155 D K H <5S+ 0 0 130 -4,-2.3 3,-0.5 4,-0.2 -1,-0.2 0.883 109.0 53.0 -62.3 -37.7 104.1 224.6 57.1 70 156 D E H <5S+ 0 0 141 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.886 115.4 39.0 -64.6 -40.4 102.4 224.5 60.5 71 157 D V H <5S- 0 0 44 -4,-2.1 -1,-0.2 0, 0.0 -2,-0.2 0.401 114.9-109.5 -96.5 2.4 101.2 228.1 60.4 72 158 D G T <5S+ 0 0 68 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.791 87.0 113.0 78.5 28.4 100.3 228.2 56.7 73 159 D E >< + 0 0 31 -5,-2.8 4,-3.2 -6,-0.2 -4,-0.2 0.067 45.8 158.3-118.7 23.1 103.2 230.4 55.5 74 160 D Y T 4 - 0 0 91 -6,-0.6 26,-0.0 1,-0.3 -9,-0.0 -0.862 67.6 -12.6-100.3 132.6 105.2 227.9 53.4 75 161 D P T 4 S+ 0 0 36 0, 0.0 26,-3.0 0, 0.0 -1,-0.3 -0.958 129.9 59.9-109.4 17.6 107.0 228.6 51.4 76 162 D T T 4 + 0 0 95 24,-0.2 -2,-0.2 1,-0.2 2,-0.1 0.861 68.3 176.1 -62.6 -36.2 106.1 232.3 51.0 77 163 D L < + 0 0 12 -4,-3.2 2,-0.3 23,-0.1 -1,-0.2 -0.406 10.2 167.4 51.6-137.4 107.0 233.3 54.5 78 164 D G > - 0 0 43 21,-0.4 3,-2.2 -2,-0.1 20,-0.1 -0.957 47.0 -12.0 132.9-151.3 106.6 237.0 54.9 79 165 D S T 3 S+ 0 0 117 -2,-0.3 -1,-0.1 1,-0.3 -44,-0.0 0.519 115.5 70.3 -79.1 -7.0 106.5 239.8 57.5 80 166 D N T 3 S+ 0 0 63 -45,-0.1 -45,-2.9 -46,-0.1 -44,-0.5 0.663 91.8 76.9 -70.5 -19.4 106.0 237.5 60.5 81 167 D W E < +F 34 0E 12 -3,-2.2 2,-0.3 -47,-0.2 17,-0.2 -0.779 59.8 176.6-103.2 137.7 109.6 236.4 60.0 82 168 D T E -F 33 0E 64 -49,-2.0 -49,-2.2 -2,-0.4 2,-0.4 -0.965 16.1-151.2-136.2 152.9 112.7 238.4 61.0 83 169 D A E +F 32 0E 18 13,-0.5 13,-0.4 -2,-0.3 2,-0.3 -0.970 19.6 169.8-122.6 142.2 116.4 237.9 60.9 84 170 D E E -F 31 0E 75 -53,-1.9 -53,-2.5 -2,-0.4 2,-0.4 -0.990 33.3-115.7-146.3 153.6 118.9 239.5 63.3 85 171 D I E -F 30 0E 26 -2,-0.3 -55,-0.2 -55,-0.2 -56,-0.1 -0.763 50.6 -90.2 -89.5 136.2 122.6 239.2 64.1 86 172 D S > - 0 0 29 -57,-3.2 3,-1.6 -2,-0.4 -1,-0.1 -0.051 29.9-125.0 -43.0 139.2 123.4 237.9 67.7 87 173 D S T 3 S+ 0 0 124 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.667 106.6 67.6 -64.7 -17.3 123.8 240.8 70.2 88 174 D S T 3 S+ 0 0 105 -59,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.697 77.7 108.8 -77.2 -17.0 127.2 239.4 71.2 89 175 D S S < S- 0 0 20 -3,-1.6 -65,-0.1 -60,-0.1 -4,-0.0 -0.146 70.7-135.8 -57.4 151.2 128.7 240.4 67.7 90 176 D S S S+ 0 0 104 -67,-0.2 -66,-0.2 2,-0.0 -1,-0.1 0.634 77.7 94.7 -76.8 -15.6 131.1 243.3 67.4 91 177 D G - 0 0 16 -66,-0.1 2,-0.3 -70,-0.0 -68,-0.2 -0.158 54.1-169.0 -79.6 170.7 129.3 244.5 64.4 92 178 D L B +D 22 0D 95 -70,-1.9 -70,-1.8 -72,-0.1 -68,-0.1 -0.993 52.2 25.6-154.6 154.3 126.6 247.1 64.0 93 179 D A S S+ 0 0 68 -2,-0.3 -72,-0.3 1,-0.2 -2,-0.0 0.239 70.3 141.6 85.3 -10.3 124.0 248.6 61.7 94 180 D A - 0 0 17 -74,-0.3 2,-0.4 -72,-0.2 -1,-0.2 -0.299 33.6-158.7 -63.8 148.0 123.5 245.6 59.3 95 181 D V E -C 19 0C 66 -76,-2.5 -76,-1.7 -11,-0.1 -77,-0.9 -0.994 4.1-167.1-128.8 125.0 120.0 244.9 58.0 96 182 D I E -C 17 0C 15 -2,-0.4 -13,-0.5 -13,-0.4 2,-0.5 -0.960 4.7-162.1-112.8 124.9 119.0 241.5 56.7 97 183 D T E -C 16 0C 66 -81,-2.7 -81,-2.1 -2,-0.5 2,-0.2 -0.924 11.1-145.2-110.3 124.8 115.8 241.1 54.8 98 184 D L E -C 15 0C 31 -2,-0.5 -83,-0.2 -17,-0.2 2,-0.1 -0.584 16.8-178.1 -89.2 150.0 114.3 237.6 54.4 99 185 D G E - 0 0 22 -85,-2.6 -21,-0.4 1,-0.3 2,-0.1 -0.080 38.9 -50.2-116.0-140.4 112.4 236.4 51.4 100 186 D K E - 0 0 104 -23,-0.1 -86,-3.0 -2,-0.1 2,-0.5 -0.382 56.3 -92.6 -94.0 171.7 110.7 233.1 50.6 101 187 D I E -C 13 0C 0 -26,-3.0 2,-0.3 -88,-0.2 -88,-0.2 -0.785 50.7-117.7 -79.4 129.2 111.9 229.5 50.8 102 188 D I + 0 0 18 -90,-3.0 -91,-2.9 -2,-0.5 -90,-0.1 -0.532 40.0 169.0 -74.4 129.1 113.3 228.6 47.4 103 189 D T + 0 0 77 -2,-0.3 2,-0.6 -93,-0.2 -1,-0.2 0.557 53.0 92.0-112.6 -16.3 111.4 225.9 45.6 104 190 D D - 0 0 82 1,-0.2 153,-0.1 -95,-0.1 152,-0.1 -0.702 62.9-155.2 -82.7 119.6 113.0 226.3 42.2 105 191 D S - 0 0 0 -2,-0.6 -96,-0.4 151,-0.5 -95,-0.2 0.772 28.1-137.9 -67.2 -23.0 116.1 224.0 41.9 106 192 D G + 0 0 34 150,-0.1 2,-0.3 1,-0.1 18,-0.1 0.485 67.4 80.7 83.5 5.2 117.4 226.5 39.3 107 193 D I - 0 0 7 -102,-0.4 -102,-3.0 17,-0.1 2,-0.4 -0.998 45.2-178.6-150.9 140.8 118.6 223.8 36.9 108 194 D L - 0 0 85 -2,-0.3 2,-0.4 -104,-0.2 -104,-0.1 -0.984 13.6-161.0-135.6 126.1 117.5 221.3 34.2 109 195 D L + 0 0 9 -2,-0.4 3,-0.1 1,-0.1 6,-0.1 -0.866 16.6 165.4-107.9 143.7 119.9 218.9 32.4 110 196 D A + 0 0 73 1,-0.4 2,-0.5 -2,-0.4 -1,-0.1 0.681 67.3 8.6-117.3 -78.3 119.1 217.3 29.1 111 197 D E > - 0 0 87 1,-0.1 3,-3.1 0, 0.0 4,-0.5 -0.960 69.8-129.6-112.4 139.2 122.0 215.6 27.3 112 198 D I T 3 S+ 0 0 67 -2,-0.5 4,-0.5 1,-0.3 3,-0.2 0.609 105.2 70.5 -67.1 -8.9 125.1 215.4 29.2 113 199 D E T 3 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.680 109.4 33.6 -75.1 -18.9 126.9 216.9 26.2 114 200 D N S <> S+ 0 0 94 -3,-3.1 4,-1.2 2,-0.1 -1,-0.2 0.312 93.5 95.9-113.6 4.4 125.2 220.2 27.0 115 201 D A H > S+ 0 0 1 -4,-0.5 4,-2.8 1,-0.2 5,-0.2 0.846 75.9 59.4 -67.5 -36.6 125.1 219.9 30.8 116 202 D E H > S+ 0 0 94 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.896 102.4 54.8 -61.8 -38.5 128.3 221.8 31.5 117 203 D A H 4 S+ 0 0 62 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.903 111.2 45.1 -57.4 -43.2 126.7 224.9 29.8 118 204 D A H >< S+ 0 0 29 -4,-1.2 3,-1.3 1,-0.2 -2,-0.2 0.920 111.4 52.4 -64.4 -46.4 123.8 224.5 32.2 119 205 D M H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.757 113.8 42.9 -63.8 -26.8 126.0 224.0 35.3 120 206 D T T 3< S+ 0 0 32 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.234 81.1 131.9-109.5 14.1 128.0 227.1 34.5 121 207 D A <> - 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0 0 21 -3,-1.7 8,-2.1 -24,-0.0 9,-0.5 -0.506 32.9-171.7 -76.7 145.3 144.9 216.2 38.3 216 302 D K B -O 222 0I 110 6,-0.2 6,-0.2 -2,-0.2 2,-0.0 -0.879 22.4-110.9-136.2 160.9 144.7 212.4 38.1 217 303 D D > - 0 0 59 4,-2.2 3,-2.1 -2,-0.3 -1,-0.1 -0.191 54.0 -83.3 -82.7-176.0 144.2 209.3 40.2 218 304 D I T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.625 132.5 53.8 -66.9 -13.4 147.0 206.7 40.9 219 305 D Y T 3 S- 0 0 198 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.112 121.1-107.9-104.0 17.4 146.1 205.1 37.6 220 306 D D < + 0 0 125 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.676 68.4 153.0 63.7 20.2 146.5 208.3 35.7 221 307 D S - 0 0 65 1,-0.1 -4,-2.2 2,-0.0 2,-0.3 -0.625 54.0-103.7 -81.1 138.1 142.8 208.6 35.2 222 308 D N B +O 216 0I 41 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.430 43.1 169.7 -64.5 118.5 141.4 212.1 34.8 223 309 D I + 0 0 8 -8,-2.1 -13,-3.2 -2,-0.3 2,-0.3 0.239 28.5 130.1-116.2 13.2 139.6 213.2 38.0 224 310 D Y B > -m 210 0G 17 -9,-0.5 4,-2.6 -15,-0.2 3,-0.3 -0.550 64.6-124.4 -65.3 129.0 139.0 216.9 37.3 225 311 D I H > S+ 0 0 1 -15,-2.8 4,-2.1 -2,-0.3 5,-0.3 0.851 102.2 44.5 -47.3 -56.5 135.4 217.3 38.1 226 312 D D H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 117.3 46.6 -63.5 -39.4 133.9 218.8 34.9 227 313 D D H > S+ 0 0 61 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.921 108.8 54.7 -63.6 -47.3 135.8 216.2 32.7 228 314 D F H <>S+ 0 0 38 -4,-2.6 5,-1.9 1,-0.2 -2,-0.2 0.911 116.0 38.0 -55.4 -45.4 134.9 213.3 34.9 229 315 D F H ><5S+ 0 0 5 -4,-2.1 3,-1.7 -5,-0.2 5,-0.3 0.869 111.6 56.3 -78.4 -37.5 131.2 214.1 34.6 230 316 D A H 3<5S+ 0 0 52 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.849 106.3 53.8 -60.6 -33.4 131.2 215.2 30.9 231 317 D K T 3<5S- 0 0 144 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.320 127.2 -98.2 -87.1 7.5 132.7 211.8 30.1 232 318 D G T < 5 + 0 0 37 -3,-1.7 -3,-0.2 -120,-0.1 -2,-0.1 0.807 68.7 152.2 85.2 33.2 129.9 209.9 31.8 233 319 D G < + 0 0 28 -5,-1.9 2,-0.4 -6,-0.2 -4,-0.2 0.654 62.4 45.6 -71.1 -15.7 131.6 209.2 35.1 234 320 D S - 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0 0 29 -2,-0.3 2,-0.6 -256,-0.2 -257,-0.3 -0.741 21.6-120.8-103.0 147.7 109.1 215.8 36.1 260 346 D S >> - 0 0 34 -2,-0.3 3,-2.1 1,-0.2 4,-0.9 -0.793 33.4-132.1 -75.8 120.9 107.5 216.8 32.8 261 347 D N G >4 S+ 0 0 133 -2,-0.6 3,-1.0 1,-0.3 -1,-0.2 0.865 102.8 51.4 -44.9 -48.6 104.2 214.9 33.2 262 348 D A G 34 S+ 0 0 88 1,-0.2 -1,-0.3 -261,-0.1 -2,-0.0 0.693 106.0 56.5 -65.2 -20.2 104.4 213.4 29.7 263 349 D E G <4 S+ 0 0 142 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.638 79.3 106.8 -90.3 -17.4 107.9 212.1 30.2 264 350 D V << - 0 0 56 -3,-1.0 2,-0.3 -4,-0.9 -122,-0.0 -0.418 52.2-163.0 -68.1 134.9 107.2 210.0 33.3 265 351 D T >> - 0 0 73 -2,-0.1 4,-1.4 1,-0.1 3,-0.7 -0.761 35.3-111.5-112.5 162.3 107.2 206.2 32.8 266 352 D A H 3> S+ 0 0 79 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.840 119.9 62.8 -58.0 -30.2 105.9 203.3 34.9 267 353 D G H 3> S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.871 97.8 53.6 -62.1 -37.8 109.5 202.5 35.3 268 354 D D H <> S+ 0 0 55 -3,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.879 108.8 50.4 -64.6 -36.5 110.1 205.8 37.1 269 355 D L H >X S+ 0 0 100 -4,-1.4 4,-0.7 2,-0.2 3,-0.6 0.925 108.9 50.4 -67.5 -44.0 107.3 204.9 39.5 270 356 D M H >< S+ 0 0 142 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.920 109.3 51.8 -58.5 -41.8 108.8 201.5 40.2 271 357 D E H 3< S+ 0 0 101 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.730 112.4 46.6 -69.4 -20.9 112.1 203.1 40.9 272 358 D A H << S+ 0 0 51 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.480 80.4 107.7 -93.3 -5.0 110.3 205.5 43.4 273 359 D W << 0 0 201 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.1 0.616 360.0 360.0 -56.2 -17.6 108.4 202.7 45.0 274 360 D D 0 0 154 -3,-0.3 -1,-0.2 -4,-0.2 -4,-0.0 -0.366 360.0 360.0 -77.0 360.0 110.4 202.8 48.2