==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-FEB-06 2FY7 . COMPND 2 MOLECULE: BETA-1,4-GALACTOSYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.RAMAKRISHNAN,V.RAMASAMY,P.K.QASBA . 268 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 33 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 1 2 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 1 0 0 1 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 . 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 1 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 1 122 A R 0 0 311 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.4 -25.8 27.4 -1.4 2 123 A G - 0 0 65 2,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.608 360.0 -72.3 146.9 151.0 -23.5 30.1 -0.1 3 124 A S + 0 0 137 -2,-0.2 2,-0.3 1,-0.0 0, 0.0 -0.423 58.1 175.9 -65.5 141.1 -20.0 31.4 -0.4 4 125 A A - 0 0 89 -2,-0.1 2,-0.1 3,-0.0 -2,-0.1 -0.996 28.0-113.4-151.7 149.5 -17.6 29.0 1.4 5 126 A S - 0 0 120 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.393 43.1 -92.2 -79.7 156.9 -13.8 28.6 2.0 6 127 A L - 0 0 96 -2,-0.1 45,-0.1 1,-0.1 -1,-0.1 -0.397 51.0-109.6 -63.2 147.1 -11.7 25.8 0.6 7 128 A P - 0 0 80 0, 0.0 45,-2.2 0, 0.0 -1,-0.1 -0.330 34.0 -96.6 -76.6 156.8 -11.5 22.8 3.1 8 129 A A B -a 52 0A 77 43,-0.2 45,-0.2 1,-0.1 3,-0.1 -0.450 48.7 -99.4 -66.3 155.3 -8.4 22.0 5.0 9 130 A a - 0 0 13 43,-2.1 -1,-0.1 1,-0.1 4,-0.1 -0.476 52.9 -88.9 -71.0 149.3 -6.4 19.2 3.3 10 131 A P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.117 34.7-105.5 -60.7 157.4 -6.9 15.8 4.9 11 132 A E S S+ 0 0 164 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.862 112.7 21.7 -49.0 -44.9 -4.8 14.5 7.9 12 133 A E S S- 0 0 126 4,-0.0 -1,-0.2 73,-0.0 72,-0.1 -0.990 96.7-110.6-125.4 137.6 -3.1 12.2 5.4 13 134 A S > - 0 0 10 -2,-0.4 3,-0.8 1,-0.1 70,-0.0 -0.421 12.0-147.8 -70.4 139.8 -3.0 12.8 1.7 14 135 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 0.522 92.3 71.2 -81.9 -3.0 -5.0 10.3 -0.4 15 136 A L T 3 + 0 0 93 68,-0.5 69,-0.1 67,-0.1 68,-0.1 0.536 68.2 120.3 -91.2 -7.5 -2.5 10.7 -3.2 16 137 A L < - 0 0 33 -3,-0.8 120,-0.1 67,-0.2 64,-0.0 -0.255 39.8-172.1 -63.0 141.4 0.4 8.8 -1.5 17 138 A V - 0 0 90 1,-0.3 -1,-0.1 0, 0.0 119,-0.0 0.535 25.6-143.9-109.7 -11.2 1.8 5.7 -3.4 18 139 A G + 0 0 3 196,-0.0 117,-2.1 2,-0.0 -1,-0.3 -0.707 64.8 42.5 87.3-127.6 4.1 4.3 -0.7 19 140 A P B -B 134 0B 103 0, 0.0 2,-0.3 0, 0.0 115,-0.2 -0.186 63.5-167.4 -60.6 146.8 7.3 2.8 -1.9 20 141 A M - 0 0 40 113,-2.2 2,-0.7 2,-0.0 -2,-0.0 -0.970 23.4-122.7-134.2 148.2 9.4 4.4 -4.6 21 142 A L - 0 0 140 -2,-0.3 2,-0.7 2,-0.0 113,-0.0 -0.830 29.4-162.7 -92.1 117.0 12.3 3.0 -6.6 22 143 A I + 0 0 12 -2,-0.7 2,-0.3 109,-0.1 109,-0.0 -0.893 16.9 164.5-109.9 113.3 15.3 5.4 -6.1 23 144 A E - 0 0 85 -2,-0.7 3,-0.2 49,-0.1 197,-0.0 -0.937 25.9-166.0-128.3 150.9 18.1 5.2 -8.6 24 145 A F + 0 0 18 -2,-0.3 48,-0.1 1,-0.1 -2,-0.0 -0.156 65.1 93.1-126.8 40.8 21.1 7.5 -9.4 25 146 A N + 0 0 124 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.141 69.3 72.5-122.0 16.9 22.3 6.2 -12.7 26 147 A M S S- 0 0 42 -3,-0.2 2,-0.1 0, 0.0 -3,-0.0 -0.907 82.8-102.9-127.9 157.0 20.5 8.3 -15.3 27 148 A P - 0 0 121 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.466 29.9-147.0 -77.8 158.6 20.9 11.9 -16.3 28 149 A V - 0 0 12 -2,-0.1 2,-0.5 4,-0.0 44,-0.1 -0.982 7.5-163.4-124.3 138.6 18.4 14.6 -15.1 29 150 A D >> - 0 0 82 -2,-0.4 4,-2.1 1,-0.1 3,-0.7 -0.974 8.9-156.3-122.7 110.9 17.3 17.7 -17.1 30 151 A L H 3> S+ 0 0 35 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.723 92.9 61.4 -62.9 -22.8 15.7 20.3 -14.9 31 152 A E H 3> S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.906 108.9 43.1 -67.8 -38.6 13.8 21.7 -17.8 32 153 A L H <> S+ 0 0 87 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.855 111.2 54.9 -71.0 -39.8 12.1 18.4 -18.3 33 154 A V H X S+ 0 0 4 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.939 109.1 48.4 -60.9 -43.2 11.5 18.1 -14.5 34 155 A A H >< S+ 0 0 27 -4,-2.4 3,-0.9 1,-0.2 6,-0.2 0.925 109.5 52.4 -63.4 -41.3 9.8 21.5 -14.5 35 156 A K H 3< S+ 0 0 150 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.869 110.1 47.9 -64.2 -33.0 7.6 20.4 -17.5 36 157 A Q H 3< S+ 0 0 122 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.583 117.5 43.7 -80.7 -9.9 6.5 17.3 -15.6 37 158 A N X< + 0 0 12 -3,-0.9 3,-2.0 -4,-0.8 -1,-0.3 -0.462 69.6 157.5-130.1 57.5 5.8 19.4 -12.5 38 159 A P T 3 + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.676 66.4 64.6 -59.2 -17.7 4.0 22.3 -14.1 39 160 A N T 3 S+ 0 0 108 -3,-0.1 2,-0.5 2,-0.1 8,-0.3 0.574 77.0 97.7 -85.1 -7.2 2.2 23.3 -10.9 40 161 A V < - 0 0 15 -3,-2.0 6,-0.2 -6,-0.2 2,-0.1 -0.733 70.0-147.9 -82.3 121.1 5.5 24.1 -9.1 41 162 A K B >> -C 45 0C 137 4,-3.4 4,-2.0 -2,-0.5 3,-1.5 -0.396 35.2 -56.3 -88.9 166.6 5.8 28.0 -9.4 42 163 A M T 34 S+ 0 0 105 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 -0.056 125.9 27.0 -44.6 136.8 9.0 30.1 -9.7 43 164 A G T 34 S- 0 0 1 212,-2.5 47,-0.6 215,-0.3 216,-0.5 0.456 131.5 -75.0 85.5 4.2 11.5 29.6 -6.9 44 165 A G T <4 S+ 0 0 0 -3,-1.5 46,-1.0 212,-1.3 2,-0.4 0.928 85.0 155.7 75.1 44.3 10.2 26.1 -6.4 45 166 A R E < +CD 41 89C 63 -4,-2.0 -4,-3.4 211,-0.3 2,-0.3 -0.890 11.2 163.9-109.0 138.8 6.9 27.0 -4.7 46 167 A Y E + D 0 88C 36 42,-2.2 42,-2.2 -2,-0.4 -6,-0.1 -0.997 11.5 169.1-152.5 146.8 3.8 24.9 -4.5 47 168 A A - 0 0 26 -2,-0.3 40,-0.2 -8,-0.3 39,-0.1 -0.959 44.9 -90.7-153.0 146.5 0.5 24.6 -2.6 48 169 A P - 0 0 13 0, 0.0 5,-0.1 0, 0.0 -39,-0.0 -0.151 24.0-148.0 -56.4 150.3 -2.6 22.5 -3.3 49 170 A R S S+ 0 0 173 1,-0.1 -43,-0.0 3,-0.1 3,-0.0 0.838 91.9 40.8 -88.1 -33.7 -5.3 24.1 -5.5 50 171 A D S S+ 0 0 133 -44,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.486 118.9 26.4 -98.8 -5.3 -8.3 22.3 -3.9 51 172 A a S S- 0 0 13 -45,-0.1 2,-0.5 -42,-0.0 -43,-0.2 -0.959 74.1-114.8-149.4 165.3 -7.5 22.4 -0.2 52 173 A V B -a 8 0A 85 -45,-2.2 -43,-2.1 -2,-0.3 -3,-0.1 -0.909 28.3-143.5-108.5 124.9 -5.5 24.5 2.3 53 174 A S - 0 0 7 -2,-0.5 33,-0.1 -45,-0.2 32,-0.0 -0.659 11.3-152.3 -88.9 138.8 -2.6 22.8 4.0 54 175 A P S S+ 0 0 88 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.577 81.0 90.1 -80.7 -6.2 -1.7 23.5 7.6 55 176 A H + 0 0 36 30,-0.2 32,-2.6 2,-0.1 2,-0.9 -0.776 51.5 175.5 -95.1 96.9 1.9 22.6 6.6 56 177 A K E -e 87 0C 56 -2,-1.0 65,-2.3 30,-0.2 66,-1.8 -0.862 23.2-176.8-101.9 96.2 3.6 25.8 5.4 57 178 A V E -ef 88 122C 0 30,-1.8 32,-1.8 -2,-0.9 2,-0.6 -0.841 29.6-164.9-112.5 125.0 7.0 24.3 4.9 58 179 A A E -ef 89 123C 0 64,-2.6 66,-2.3 -2,-0.5 2,-0.7 -0.914 18.8-151.9-101.0 122.7 10.4 25.8 3.9 59 180 A I E -ef 90 124C 0 30,-3.1 32,-3.3 -2,-0.6 2,-0.5 -0.906 12.9-160.4-100.4 120.3 12.7 23.0 2.8 60 181 A I E -ef 91 125C 0 64,-3.4 66,-2.5 -2,-0.7 32,-0.2 -0.909 10.3-173.8-110.2 122.4 16.3 24.1 3.5 61 182 A I E -e 92 0C 0 30,-2.9 32,-2.9 -2,-0.5 2,-0.2 -0.960 17.7-143.8-122.2 113.3 19.2 22.4 1.8 62 183 A P E +e 93 0C 7 0, 0.0 66,-0.5 0, 0.0 2,-0.3 -0.531 39.2 175.6 -71.1 140.4 22.8 23.4 2.8 63 184 A F E +e 94 0C 7 30,-2.5 32,-2.6 -2,-0.2 2,-0.2 -0.991 34.5 165.6-155.6 154.0 24.9 23.3 -0.3 64 185 A R S S- 0 0 64 -2,-0.3 32,-0.1 30,-0.2 30,-0.0 -0.620 76.1 -27.5-171.0 112.5 28.1 23.8 -2.2 65 186 A N S S+ 0 0 147 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.847 90.1 117.6 53.9 46.3 29.1 22.6 -5.7 66 187 A R > + 0 0 137 1,-0.1 4,-2.3 2,-0.1 5,-0.2 -0.414 21.9 148.3-134.1 57.4 26.9 19.4 -5.8 67 188 A Q H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.848 70.7 55.4 -63.5 -34.4 24.7 20.3 -8.7 68 189 A E H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 109.7 46.9 -65.7 -41.0 24.3 16.7 -9.9 69 190 A H H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.931 111.5 52.3 -63.4 -43.2 23.1 15.7 -6.4 70 191 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.886 105.3 54.3 -60.3 -40.3 20.7 18.6 -6.4 71 192 A K H X S+ 0 0 37 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.906 110.7 46.1 -62.2 -40.1 19.2 17.7 -9.7 72 193 A Y H X S+ 0 0 26 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.906 111.6 52.9 -66.7 -41.6 18.5 14.2 -8.3 73 194 A W H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.949 112.9 43.3 -57.9 -47.3 17.0 15.7 -5.2 74 195 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.911 111.4 54.3 -63.3 -45.7 14.7 17.9 -7.2 75 196 A Y H < S+ 0 0 84 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.917 119.7 32.8 -55.9 -46.0 13.7 15.1 -9.6 76 197 A Y H X S+ 0 0 28 -4,-2.6 4,-1.0 -5,-0.1 -2,-0.2 0.913 120.0 45.4 -81.6 -44.6 12.6 12.9 -6.7 77 198 A L H X S+ 0 0 0 -4,-3.1 4,-3.1 -5,-0.3 5,-0.3 0.853 97.9 66.1 -75.8 -33.8 11.3 15.3 -4.1 78 199 A H H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 5,-0.2 0.937 105.3 44.4 -56.6 -45.1 9.1 17.6 -6.1 79 200 A P H > S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.920 115.5 49.8 -62.0 -39.4 6.6 14.9 -7.0 80 201 A V H X S+ 0 0 3 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.916 109.6 49.5 -63.2 -48.1 6.6 13.6 -3.4 81 202 A L H <>S+ 0 0 0 -4,-3.1 5,-1.5 1,-0.2 -1,-0.2 0.886 111.3 49.3 -63.3 -37.6 6.0 17.0 -1.8 82 203 A Q H ><5S+ 0 0 25 -4,-2.0 3,-1.8 -5,-0.3 -1,-0.2 0.906 109.5 52.1 -68.5 -37.7 3.1 17.7 -4.1 83 204 A R H 3<5S+ 0 0 59 -4,-2.0 -68,-0.5 1,-0.3 -2,-0.2 0.830 104.4 57.7 -67.1 -27.2 1.6 14.3 -3.3 84 205 A Q T 3<5S- 0 0 17 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.396 109.1-129.5 -80.5 2.2 1.9 15.2 0.4 85 206 A Q T < 5 + 0 0 25 -3,-1.8 -30,-0.2 1,-0.2 -3,-0.2 0.802 49.3 161.6 56.1 37.8 -0.2 18.3 -0.3 86 207 A L < - 0 0 2 -5,-1.5 2,-0.9 -39,-0.1 -1,-0.2 -0.510 47.0-133.3 -90.1 153.3 2.3 20.7 1.4 87 208 A D E + e 0 56C 20 -32,-2.6 -30,-1.8 -40,-0.2 -40,-0.2 -0.881 58.0 159.1-100.7 95.4 2.4 24.5 0.9 88 209 A Y E -De 46 57C 0 -42,-2.2 -42,-2.2 -2,-0.9 2,-0.3 -0.723 40.0-163.1-129.5 167.7 6.1 24.5 0.4 89 210 A G E -De 45 58C 0 -32,-1.8 -30,-3.1 -2,-0.2 2,-0.5 -0.988 20.8-132.8-144.2 145.0 9.2 26.2 -1.0 90 211 A I E - e 0 59C 0 -46,-1.0 169,-2.4 -47,-0.6 2,-0.5 -0.862 20.3-174.0-103.0 127.0 12.7 24.9 -1.7 91 212 A Y E -ge 259 60C 1 -32,-3.3 -30,-2.9 -2,-0.5 2,-0.6 -0.959 8.6-166.1-123.7 116.1 15.7 26.9 -0.5 92 213 A V E -ge 260 61C 0 167,-3.0 169,-2.7 -2,-0.5 2,-0.9 -0.893 11.7-155.4-100.8 115.6 19.3 25.9 -1.5 93 214 A I E -ge 261 62C 0 -32,-2.9 -30,-2.5 -2,-0.6 2,-0.5 -0.845 12.2-160.5-100.0 103.1 21.7 27.8 0.8 94 215 A N E -ge 262 63C 29 167,-2.2 169,-2.8 -2,-0.9 2,-0.6 -0.736 11.5-137.1 -90.6 117.2 24.9 27.9 -1.2 95 216 A Q E -g 263 0C 3 -32,-2.6 169,-0.2 -2,-0.5 167,-0.1 -0.663 21.7-140.0 -78.9 116.7 28.1 28.6 0.8 96 217 A A + 0 0 20 167,-2.7 3,-0.3 -2,-0.6 169,-0.3 -0.379 59.5 17.4 -71.9 153.7 30.2 31.1 -1.2 97 218 A G S S- 0 0 47 1,-0.2 -2,-0.0 167,-0.1 166,-0.0 -0.280 90.2 -78.4 87.5-170.3 33.9 30.7 -1.3 98 219 A D S S+ 0 0 164 -2,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.251 80.9 117.9-119.6 4.6 36.3 27.9 -0.6 99 220 A T S S- 0 0 42 -3,-0.3 168,-0.1 1,-0.2 -4,-0.0 -0.166 80.0 -58.4 -71.4 169.0 36.5 27.8 3.2 100 221 A I - 0 0 76 1,-0.1 -1,-0.2 87,-0.1 2,-0.1 -0.157 62.1-110.5 -51.6 133.8 35.4 24.9 5.4 101 222 A F - 0 0 66 -3,-0.1 2,-0.4 86,-0.1 87,-0.2 -0.405 27.4-163.0 -67.5 145.1 31.8 23.9 4.9 102 223 A N > - 0 0 0 85,-0.2 4,-1.9 1,-0.2 5,-0.2 -0.779 9.1-179.3-137.5 87.0 29.4 24.7 7.8 103 224 A R H > S+ 0 0 25 -2,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.901 79.7 48.0 -54.0 -51.3 26.2 22.8 7.5 104 225 A A H > S+ 0 0 1 82,-0.3 4,-1.9 1,-0.2 78,-0.2 0.851 109.9 51.5 -66.1 -35.9 24.4 24.1 10.7 105 226 A K H > S+ 0 0 17 81,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 108.9 50.7 -69.2 -37.0 25.2 27.7 10.0 106 227 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.868 106.9 55.5 -66.6 -36.3 23.8 27.4 6.5 107 228 A L H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.923 107.3 49.3 -61.3 -41.5 20.6 25.8 8.0 108 229 A N H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.907 109.1 52.5 -62.5 -41.4 20.2 28.9 10.2 109 230 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.932 107.1 53.0 -58.8 -42.2 20.6 31.1 7.3 110 231 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.904 107.6 50.9 -61.5 -40.5 17.9 29.2 5.4 111 232 A F H X S+ 0 0 5 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.962 114.2 43.5 -61.5 -49.1 15.4 29.7 8.3 112 233 A Q H X S+ 0 0 65 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.898 118.0 42.7 -67.6 -38.6 16.0 33.4 8.5 113 234 A E H >X S+ 0 0 18 -4,-2.9 3,-1.1 -5,-0.2 4,-0.9 0.898 109.4 55.8 -77.7 -37.6 15.9 34.0 4.7 114 235 A A H >X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.3 3,-0.9 0.890 103.2 58.0 -60.9 -37.4 12.9 31.7 4.0 115 236 A L H 3< S+ 0 0 39 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.737 96.6 62.1 -64.0 -23.1 10.9 33.8 6.6 116 237 A K H << S+ 0 0 140 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.833 107.8 44.7 -70.2 -30.3 11.6 36.9 4.5 117 238 A D H << S- 0 0 57 -4,-0.9 2,-0.3 -3,-0.9 -2,-0.2 0.885 127.7 -11.6 -78.8 -42.2 9.7 35.4 1.6 118 239 A Y S < S- 0 0 70 -4,-1.6 2,-2.4 -62,-0.0 -1,-0.2 -0.986 72.6 -92.6-159.8 158.3 6.7 33.9 3.4 119 240 A D + 0 0 111 -2,-0.3 -4,-0.1 -3,-0.1 -63,-0.1 -0.387 53.5 177.7 -79.7 64.3 5.2 33.1 6.8 120 241 A Y - 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