==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAR-12 4EEA . COMPND 2 MOLECULE: BETA-1,4-GALACTOSYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.RAMAKRISHNAN,P.K.QASBA . 819 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 11.1 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 95 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 2 4 3 0 0 0 3 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 3 0 3 3 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 PARALLEL BRIDGES PER LADDER . 9 6 3 0 3 2 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 0 3 0 0 0 0 0 3 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 1 126 A S 0 0 175 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 48.5 29.0 7.4 118.3 2 127 A L - 0 0 95 1,-0.1 45,-0.2 45,-0.0 2,-0.1 -0.580 360.0-109.9 -61.7 147.8 29.5 9.8 115.4 3 128 A P - 0 0 60 0, 0.0 45,-2.4 0, 0.0 -1,-0.1 -0.436 36.5 -88.6 -75.9 167.5 33.0 11.3 116.0 4 129 A A B -a 48 0A 75 43,-0.2 45,-0.2 1,-0.1 3,-0.1 -0.391 49.0-104.3 -62.5 147.3 33.5 14.9 117.1 5 130 A a - 0 0 13 43,-1.9 -1,-0.1 1,-0.1 4,-0.1 -0.371 49.3 -86.4 -64.4 153.6 33.8 17.4 114.2 6 131 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 696,-0.0 -0.343 42.1-111.5 -56.4 152.8 37.4 18.6 113.6 7 132 A E S S+ 0 0 174 1,-0.1 2,-0.4 -3,-0.1 -2,-0.1 0.845 108.9 30.4 -60.3 -41.1 38.2 21.6 115.8 8 133 A E S S- 0 0 117 4,-0.0 -1,-0.1 0, 0.0 73,-0.0 -0.985 101.3-110.6-114.7 139.7 38.3 23.8 112.7 9 134 A S > - 0 0 13 -2,-0.4 3,-0.6 1,-0.1 -2,-0.1 -0.424 15.0-153.9 -68.6 138.5 36.1 22.9 109.8 10 135 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 750,-0.1 0.504 86.6 74.5 -85.0 -3.4 38.0 21.6 106.7 11 136 A L T 3 + 0 0 32 68,-0.5 69,-0.1 67,-0.1 68,-0.1 0.540 68.4 117.9 -83.0 -10.7 35.1 22.7 104.4 12 137 A L < - 0 0 13 -3,-0.6 120,-0.0 67,-0.2 64,-0.0 -0.340 40.4-174.0 -72.2 141.7 36.0 26.5 104.7 13 138 A V - 0 0 37 1,-0.3 -1,-0.1 549,-0.1 552,-0.1 0.359 29.5-144.0-109.7 -0.7 36.9 28.4 101.5 14 139 A G + 0 0 3 2,-0.0 117,-2.2 196,-0.0 -1,-0.3 -0.556 64.3 37.2 77.2-127.8 37.8 31.8 103.1 15 140 A P B -B 130 0B 46 0, 0.0 2,-0.3 0, 0.0 115,-0.2 -0.298 69.9-170.1 -73.9 145.6 37.1 35.0 101.4 16 141 A M - 0 0 35 113,-2.6 2,-0.6 2,-0.0 -2,-0.0 -0.935 26.0-110.7-138.7 153.7 33.8 35.2 99.4 17 142 A L - 0 0 117 -2,-0.3 2,-0.5 270,-0.0 113,-0.0 -0.755 35.2-173.2 -90.8 125.8 32.1 37.5 97.0 18 143 A I + 0 0 17 -2,-0.6 2,-0.3 109,-0.1 111,-0.0 -0.939 8.6 166.8-123.0 128.6 29.0 39.2 98.4 19 144 A E - 0 0 87 -2,-0.5 3,-0.2 49,-0.1 197,-0.1 -0.996 23.9-164.8-144.9 149.7 26.5 41.3 96.5 20 145 A F + 0 0 32 -2,-0.3 48,-0.1 1,-0.1 -1,-0.0 -0.149 66.7 89.5-120.7 35.4 23.0 42.8 97.2 21 146 A N S S+ 0 0 92 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.199 70.4 75.6-125.5 21.2 21.7 43.8 93.8 22 147 A M S S- 0 0 42 -3,-0.2 2,-0.2 1,-0.0 -3,-0.0 -0.832 84.4 -98.6-122.6 162.0 20.0 40.7 92.5 23 148 A P - 0 0 129 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.517 32.7-148.3 -80.0 154.6 16.6 39.2 93.5 24 149 A V - 0 0 16 -2,-0.2 2,-0.6 4,-0.0 3,-0.1 -0.981 6.2-161.1-126.4 134.9 16.5 36.3 95.9 25 150 A D > - 0 0 86 -2,-0.4 4,-2.7 1,-0.1 3,-0.5 -0.950 5.8-159.3-121.8 113.8 13.9 33.5 95.9 26 151 A L H > S+ 0 0 38 -2,-0.6 4,-3.1 1,-0.3 5,-0.2 0.818 92.2 60.3 -70.7 -29.5 13.7 31.7 99.2 27 152 A E H > S+ 0 0 145 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.932 110.2 42.0 -54.3 -46.8 12.1 28.7 97.6 28 153 A L H > S+ 0 0 86 -3,-0.5 4,-3.3 2,-0.2 5,-0.2 0.911 111.4 54.8 -68.6 -41.9 15.2 28.3 95.4 29 154 A V H X S+ 0 0 3 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.946 107.2 52.5 -56.7 -43.8 17.4 29.1 98.5 30 155 A A H >< S+ 0 0 28 -4,-3.1 3,-0.6 2,-0.2 6,-0.2 0.911 110.2 46.8 -57.5 -42.6 15.6 26.2 100.2 31 156 A K H 3< S+ 0 0 149 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.898 110.0 53.0 -71.1 -36.0 16.4 23.9 97.2 32 157 A Q H 3< S+ 0 0 80 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.650 114.2 45.6 -64.1 -15.7 20.0 25.0 97.2 33 158 A N X< + 0 0 11 -4,-0.9 3,-2.2 -3,-0.6 -1,-0.2 -0.428 68.2 158.7-124.2 59.7 20.1 24.1 100.9 34 159 A P T 3 + 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.731 69.3 59.6 -61.7 -22.0 18.5 20.7 101.0 35 160 A N T 3 S+ 0 0 72 -3,-0.1 2,-0.6 -4,-0.1 8,-0.3 0.585 79.1 99.2 -86.7 -4.0 20.0 19.7 104.3 36 161 A V < - 0 0 15 -3,-2.2 6,-0.2 -6,-0.2 3,-0.1 -0.731 69.1-145.3 -82.8 120.6 18.5 22.6 106.2 37 162 A K B >> -C 41 0C 147 4,-3.2 4,-1.7 -2,-0.6 3,-1.6 -0.329 35.1 -57.8 -91.1 168.1 15.4 21.3 108.0 38 163 A M T 34 S+ 0 0 119 1,-0.3 -1,-0.2 2,-0.2 223,-0.1 -0.098 127.4 23.4 -53.7 137.4 12.1 22.9 108.8 39 164 A G T 34 S- 0 0 1 220,-2.9 224,-0.6 223,-0.3 47,-0.6 0.483 131.5 -75.7 81.7 7.4 12.5 26.1 110.9 40 165 A G T <4 S+ 0 0 0 -3,-1.6 46,-1.0 220,-1.3 2,-0.4 0.937 83.3 153.9 70.2 52.8 16.1 26.5 109.6 41 166 A R E < +CD 37 85C 65 -4,-1.7 -4,-3.2 219,-0.3 2,-0.3 -0.921 12.3 167.4-112.2 137.9 17.8 23.8 111.7 42 167 A Y E + D 0 84C 32 42,-2.1 42,-2.6 -2,-0.4 -6,-0.1 -0.991 11.6 171.2-147.1 140.0 20.9 22.0 110.6 43 168 A A - 0 0 50 -2,-0.3 40,-0.2 40,-0.3 39,-0.1 -0.964 46.9 -90.8-134.2 154.3 23.5 19.7 112.2 44 169 A P - 0 0 16 0, 0.0 3,-0.2 0, 0.0 5,-0.1 -0.323 22.6-145.8 -65.9 143.9 26.2 17.8 110.4 45 170 A R S S+ 0 0 152 1,-0.2 3,-0.0 3,-0.1 0, 0.0 0.843 93.4 43.9 -68.3 -31.4 25.5 14.3 109.1 46 171 A D S S+ 0 0 33 1,-0.1 2,-0.3 -44,-0.1 -1,-0.2 0.513 117.5 14.2-102.9 -6.1 29.0 13.0 109.7 47 172 A a S S- 0 0 2 -3,-0.2 2,-0.6 -45,-0.2 -43,-0.2 -0.970 75.8-102.1-161.6 163.2 30.3 14.3 113.0 48 173 A V B -a 4 0A 85 -45,-2.4 -43,-1.9 -2,-0.3 -3,-0.1 -0.840 32.3-142.8 -98.5 115.0 28.9 15.9 116.3 49 174 A S - 0 0 7 -2,-0.6 33,-0.1 -45,-0.2 -42,-0.1 -0.645 7.8-152.4 -74.1 133.5 29.5 19.6 116.6 50 175 A P S S+ 0 0 90 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.573 79.7 90.9 -74.9 -5.1 30.3 20.9 120.1 51 176 A H + 0 0 41 30,-0.3 32,-2.6 2,-0.1 2,-0.9 -0.804 52.5 177.8 -99.1 104.0 28.7 24.2 118.8 52 177 A K E -e 83 0C 46 -2,-0.8 65,-2.2 30,-0.2 66,-1.5 -0.866 22.8-177.9-107.9 94.9 25.0 24.2 119.6 53 178 A V E -ef 84 118C 0 30,-2.1 32,-1.8 -2,-0.9 2,-0.6 -0.846 28.0-166.6-113.3 123.8 24.2 27.6 118.2 54 179 A A E -ef 85 119C 0 64,-2.6 66,-2.4 -2,-0.5 2,-0.6 -0.943 17.6-150.7-103.1 126.0 21.0 29.6 118.1 55 180 A I E -ef 86 120C 0 30,-2.9 32,-2.9 -2,-0.6 2,-0.6 -0.876 12.6-161.4 -99.1 121.1 21.2 32.6 115.8 56 181 A I E -ef 87 121C 0 64,-3.6 66,-2.3 -2,-0.6 32,-0.2 -0.897 7.9-172.6-114.8 118.3 19.0 35.4 116.9 57 182 A I E -e 88 0C 0 30,-2.7 32,-3.1 -2,-0.6 2,-0.2 -0.943 18.3-140.9-114.5 118.7 18.0 38.2 114.6 58 183 A P E +e 89 0C 9 0, 0.0 66,-0.4 0, 0.0 2,-0.4 -0.573 39.0 178.9 -75.3 142.0 16.1 41.3 115.8 59 184 A F E +e 90 0C 8 30,-2.1 32,-2.6 -2,-0.2 2,-0.2 -0.995 33.0 150.6-152.9 135.7 13.6 42.1 113.1 60 185 A R S S- 0 0 38 -2,-0.4 32,-0.1 30,-0.2 30,-0.0 -0.701 81.1 -17.6-156.1 126.4 10.7 44.3 111.9 61 186 A N S S+ 0 0 145 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.910 93.6 113.9 59.5 46.3 9.9 45.0 108.2 62 187 A R > + 0 0 38 1,-0.1 4,-2.1 2,-0.1 5,-0.2 -0.237 23.7 140.2-134.9 46.7 13.2 44.0 106.7 63 188 A Q H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.851 71.4 53.7 -64.9 -34.1 12.1 41.0 104.6 64 189 A E H > S+ 0 0 129 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.926 109.9 46.6 -67.7 -43.4 14.4 41.9 101.7 65 190 A H H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.909 109.6 56.7 -60.4 -43.1 17.5 42.1 103.9 66 191 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.867 101.6 54.3 -61.3 -38.9 16.5 38.8 105.5 67 192 A K H X S+ 0 0 58 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.929 110.9 46.2 -62.1 -41.6 16.4 37.0 102.2 68 193 A Y H X S+ 0 0 15 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.958 111.5 52.8 -60.7 -46.8 20.0 38.1 101.5 69 194 A W H X S+ 0 0 0 -4,-2.8 4,-3.1 55,-0.3 5,-0.4 0.954 113.5 43.3 -53.5 -50.3 20.9 37.1 105.1 70 195 A L H X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.902 111.3 53.6 -65.1 -42.5 19.5 33.7 104.5 71 196 A Y H < S+ 0 0 81 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.904 119.8 33.1 -57.7 -40.3 21.0 33.2 101.0 72 197 A Y H X S+ 0 0 28 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.915 120.0 45.2 -87.9 -42.1 24.5 34.0 102.3 73 198 A L H X S+ 0 0 0 -4,-3.1 4,-3.6 -5,-0.3 5,-0.3 0.893 99.9 64.6 -76.5 -39.4 24.6 32.6 105.9 74 199 A H H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.4 5,-0.2 0.932 106.1 43.7 -54.2 -49.5 23.0 29.2 105.4 75 200 A P H > S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.921 117.1 48.2 -60.9 -35.3 25.8 27.9 103.2 76 201 A V H X S+ 0 0 5 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.912 108.7 51.9 -71.2 -40.2 28.4 29.4 105.5 77 202 A L H <>S+ 0 0 0 -4,-3.6 5,-1.3 1,-0.2 -1,-0.2 0.906 110.0 49.3 -70.2 -35.9 26.9 28.1 108.7 78 203 A Q H ><5S+ 0 0 21 -4,-2.1 3,-2.0 -5,-0.3 -1,-0.2 0.925 107.4 53.9 -65.2 -41.2 26.8 24.5 107.3 79 204 A R H 3<5S+ 0 0 35 -4,-2.0 -68,-0.5 1,-0.3 -2,-0.2 0.866 103.0 59.3 -60.2 -29.9 30.5 24.7 106.1 80 205 A Q T 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.487 109.4-129.3 -76.6 -4.0 31.3 25.7 109.7 81 206 A Q T < 5 + 0 0 7 -3,-2.0 -30,-0.3 1,-0.2 2,-0.2 0.858 49.5 161.0 64.0 37.1 29.8 22.4 110.8 82 207 A L < - 0 0 2 -5,-1.3 2,-0.9 -39,-0.1 -1,-0.2 -0.613 47.1-133.3 -91.6 150.1 27.6 24.0 113.5 83 208 A D E + e 0 52C 20 -32,-2.6 -30,-2.1 -2,-0.2 -40,-0.3 -0.886 58.1 158.3 -95.2 94.3 24.5 22.4 115.0 84 209 A Y E -De 42 53C 0 -42,-2.6 -42,-2.1 -2,-0.9 2,-0.3 -0.773 39.3-162.9-130.0 166.7 22.4 25.5 114.6 85 210 A G E -De 41 54C 0 -32,-1.8 -30,-2.9 -2,-0.3 2,-0.5 -0.990 19.7-133.9-144.3 146.6 18.9 27.1 114.3 86 211 A I E - e 0 55C 0 -46,-1.0 177,-2.3 -47,-0.6 2,-0.4 -0.905 19.6-175.7-105.0 132.4 17.8 30.5 113.0 87 212 A Y E -ge 263 56C 3 -32,-2.9 -30,-2.7 -2,-0.5 2,-0.6 -0.993 9.3-163.9-125.5 119.3 15.3 32.6 115.0 88 213 A V E -ge 264 57C 0 175,-2.9 177,-2.7 -2,-0.4 2,-0.9 -0.933 12.7-152.5-101.9 122.4 13.9 35.9 113.5 89 214 A I E -ge 265 58C 0 -32,-3.1 -30,-2.1 -2,-0.6 2,-0.5 -0.825 12.8-161.7-104.1 103.5 12.4 37.8 116.4 90 215 A N E -ge 266 59C 28 175,-2.5 177,-2.6 -2,-0.9 2,-0.6 -0.729 12.5-136.4 -93.0 118.0 9.7 39.9 114.8 91 216 A Q E -g 267 0C 3 -32,-2.6 177,-0.2 -2,-0.5 175,-0.1 -0.647 22.2-138.9 -78.4 113.9 8.5 42.9 116.9 92 217 A A + 0 0 19 175,-2.7 3,-0.3 -2,-0.6 177,-0.3 -0.296 62.0 21.1 -62.1 151.9 4.7 43.1 116.6 93 218 A G S S- 0 0 46 1,-0.2 174,-0.0 175,-0.1 -2,-0.0 -0.166 87.2 -88.3 84.5-177.2 3.0 46.5 116.2 94 219 A D S S+ 0 0 131 3,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.013 78.5 113.8-131.0 27.3 4.3 49.8 115.0 95 220 A T S S- 0 0 66 -3,-0.3 176,-0.0 1,-0.2 175,-0.0 -0.386 80.3 -45.5 -95.9 179.9 5.7 51.5 118.1 96 221 A I - 0 0 55 -2,-0.1 128,-0.2 1,-0.1 -1,-0.2 -0.054 68.0-112.6 -52.8 136.5 9.3 52.4 118.9 97 222 A F - 0 0 28 126,-3.1 87,-3.4 -3,-0.1 2,-0.3 -0.361 23.6-163.4 -69.7 148.3 11.8 49.6 118.1 98 223 A N > + 0 0 0 85,-0.2 4,-1.8 1,-0.2 5,-0.2 -0.730 9.5 177.7-136.2 84.2 13.7 47.7 120.9 99 224 A R H > S+ 0 0 29 -2,-0.3 4,-1.9 83,-0.2 -1,-0.2 0.931 79.8 45.0 -55.8 -51.3 16.6 45.8 119.5 100 225 A A H > S+ 0 0 0 82,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.822 109.1 54.3 -71.5 -29.3 18.0 44.4 122.7 101 226 A K H > S+ 0 0 26 81,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.899 108.2 50.9 -69.7 -34.3 14.7 43.3 124.2 102 227 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.909 106.0 55.6 -68.0 -39.7 14.0 41.3 121.1 103 228 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.920 106.7 50.1 -55.6 -43.6 17.4 39.7 121.5 104 229 A N H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.909 108.2 52.6 -61.5 -41.7 16.4 38.6 125.1 105 230 A V H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.942 108.0 52.9 -56.4 -45.2 13.2 37.1 123.8 106 231 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.912 108.6 48.1 -57.4 -47.1 15.2 35.2 121.3 107 232 A F H X S+ 0 0 6 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.949 116.1 43.4 -60.0 -48.0 17.5 33.7 123.9 108 233 A Q H < S+ 0 0 66 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.936 118.3 43.5 -71.1 -38.8 14.6 32.7 126.2 109 234 A E H >X S+ 0 0 21 -4,-3.4 3,-1.5 -5,-0.2 4,-0.6 0.927 109.1 55.4 -74.3 -39.0 12.4 31.3 123.3 110 235 A A H >X S+ 0 0 0 -4,-2.8 3,-1.8 -5,-0.3 4,-1.2 0.885 99.8 62.1 -58.6 -37.3 15.2 29.4 121.5 111 236 A L H 3< S+ 0 0 46 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.731 94.2 63.1 -62.0 -22.0 16.0 27.5 124.7 112 237 A K H <4 S+ 0 0 143 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.702 104.8 47.4 -74.0 -20.5 12.5 26.1 124.6 113 238 A D H << S- 0 0 51 -3,-1.8 2,-0.3 -4,-0.6 -2,-0.2 0.826 124.7 -12.6 -84.2 -35.6 13.3 24.3 121.3 114 239 A Y S < S- 0 0 75 -4,-1.2 2,-2.4 2,-0.0 -1,-0.3 -0.985 74.9 -86.9-167.7 155.7 16.6 22.7 122.0 115 240 A D + 0 0 91 -2,-0.3 -4,-0.1 -3,-0.1 2,-0.1 -0.366 56.0 175.5 -75.8 61.3 19.5 22.6 124.4 116 241 A Y - 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