==== 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 OXIDOREDUCTASE 20-DEC-07 3BQG . COMPND 2 MOLECULE: PEPTIDE METHIONINE SULFOXIDE REDUCTASE MSRA/MSRB; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR F.M.RANAIVOSON,B.KAUFFMANN,F.FAVIER . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 17.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 12 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 196 A M 0 0 145 0, 0.0 2,-1.0 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 161.3 3.5 5.4 -4.1 2 197 A N - 0 0 105 60,-0.0 61,-2.6 2,-0.0 62,-0.5 -0.714 360.0-179.0 -85.3 102.8 1.8 7.0 -7.0 3 198 A T E -A 62 0A 71 -2,-1.0 2,-0.3 59,-0.2 59,-0.2 -0.689 13.0-169.7-104.2 157.5 -1.9 6.4 -6.5 4 199 A R E -A 61 0A 127 57,-1.9 57,-2.6 -2,-0.3 2,-0.4 -0.940 11.3-141.6-138.2 158.2 -5.0 7.4 -8.5 5 200 A T E +A 60 0A 39 -2,-0.3 97,-0.4 55,-0.2 2,-0.3 -0.950 16.1 176.7-129.1 146.1 -8.7 7.3 -7.7 6 201 A I E -A 59 0A 0 53,-2.1 53,-3.1 -2,-0.4 2,-0.6 -0.987 24.4-131.5-144.1 146.5 -11.8 6.5 -9.7 7 202 A Y E -AB 58 100A 30 93,-2.1 93,-2.9 -2,-0.3 2,-0.5 -0.903 23.5-170.3-107.2 121.3 -15.5 6.3 -8.7 8 203 A L E -AB 57 99A 0 49,-2.5 49,-2.4 -2,-0.6 2,-0.6 -0.934 12.4-168.7-119.4 123.6 -17.5 3.2 -9.6 9 204 A A E + B 0 98A 0 89,-3.2 89,-2.2 -2,-0.5 47,-0.2 -0.931 26.1 147.3-108.0 114.9 -21.2 2.7 -9.3 10 205 A G E - B 0 97A 0 -2,-0.6 2,-0.2 1,-0.5 87,-0.2 -0.075 64.2 -79.7-139.9 38.5 -22.2 -0.9 -9.9 11 206 A G S S+ 0 0 1 85,-0.6 -1,-0.5 44,-0.4 85,-0.1 -0.665 101.7 16.8 100.1-158.4 -25.2 -1.6 -7.7 12 207 A X S >> S- 0 0 4 75,-0.3 4,-1.2 -2,-0.2 3,-0.5 -0.304 71.0-143.5 -49.9 117.6 -25.2 -2.4 -3.9 13 208 A F H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.674 87.7 77.5 -65.2 -15.5 -21.8 -1.2 -2.8 14 209 A W H 3> S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 132,-0.3 0.974 103.9 35.0 -56.1 -55.3 -21.3 -4.0 -0.2 15 210 A G H <> S+ 0 0 0 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.907 118.3 50.3 -66.2 -44.2 -20.5 -6.5 -3.0 16 211 A L H X S+ 0 0 1 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.873 113.0 47.2 -64.1 -37.6 -18.6 -4.1 -5.3 17 212 A E H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.957 111.4 49.5 -67.8 -50.2 -16.4 -2.9 -2.4 18 213 A A H X S+ 0 0 15 -4,-2.2 4,-0.9 -5,-0.4 -2,-0.2 0.870 111.0 53.9 -54.9 -38.3 -15.6 -6.4 -1.2 19 214 A Y H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.947 108.8 44.7 -63.0 -52.1 -14.7 -7.2 -4.8 20 215 A F H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.788 104.2 63.9 -67.8 -26.0 -12.2 -4.4 -5.3 21 216 A Q H 3< S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.810 96.2 59.1 -66.8 -29.2 -10.5 -4.9 -2.0 22 217 A R T << S+ 0 0 127 -4,-0.9 2,-0.5 -3,-0.7 -1,-0.2 0.587 85.9 99.0 -75.8 -9.8 -9.4 -8.4 -3.1 23 218 A I S X S- 0 0 6 -3,-1.1 3,-2.0 -4,-0.3 2,-0.3 -0.684 77.3-125.2 -88.0 125.6 -7.5 -7.0 -6.1 24 219 A D T 3 S+ 0 0 130 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.498 100.3 37.2 -65.9 121.5 -3.7 -6.6 -5.8 25 220 A G T 3 S+ 0 0 7 -2,-0.3 37,-3.5 1,-0.3 2,-0.8 0.080 88.6 106.3 120.7 -21.3 -3.0 -2.9 -6.7 26 221 A V E < +C 61 0A 14 -3,-2.0 -1,-0.3 35,-0.3 35,-0.3 -0.835 42.5 178.6 -92.6 114.2 -6.1 -1.6 -5.0 27 222 A V E + 0 0 68 33,-1.7 2,-0.3 -2,-0.8 34,-0.2 0.621 65.3 6.6 -92.5 -14.2 -5.0 0.1 -1.8 28 223 A D E -C 60 0A 67 32,-1.5 32,-2.6 -8,-0.1 2,-0.3 -0.966 50.6-169.6-165.6 149.5 -8.4 1.3 -0.7 29 224 A A E -C 59 0A 2 -2,-0.3 2,-0.5 30,-0.2 115,-0.3 -0.892 13.3-172.8-147.3 110.7 -12.1 1.1 -1.5 30 225 A V E -C 58 0A 17 28,-2.3 28,-3.3 -2,-0.3 2,-0.2 -0.930 16.0-140.0-112.6 124.1 -14.6 3.3 0.2 31 226 A S E +C 57 0A 0 -2,-0.5 107,-2.9 26,-0.2 2,-0.3 -0.572 40.9 133.7 -80.7 142.9 -18.3 3.0 -0.2 32 227 A G E -CD 56 137A 0 24,-2.9 24,-2.9 105,-0.3 2,-0.5 -0.923 53.5 -81.5-165.9-169.4 -20.4 6.2 -0.5 33 228 A Y E -CD 55 136A 0 103,-2.7 103,-1.7 -2,-0.3 2,-0.3 -0.961 44.7-170.9-117.9 122.7 -23.1 8.2 -2.2 34 229 A A E +CD 54 135A 0 20,-2.5 20,-2.7 -2,-0.5 101,-0.2 -0.847 51.3 4.0-122.4 154.7 -22.3 10.0 -5.4 35 230 A N S S+ 0 0 9 99,-2.4 -1,-0.2 -2,-0.3 2,-0.1 0.880 82.1 144.4 46.4 53.0 -23.8 12.5 -7.8 36 231 A G - 0 0 2 2,-0.3 16,-0.2 -3,-0.2 -1,-0.1 -0.389 61.8-108.7-103.7-172.1 -26.9 13.2 -5.8 37 232 A N S S+ 0 0 143 14,-3.0 2,-0.3 -2,-0.1 15,-0.1 0.506 93.9 52.1 -98.1 -6.4 -28.9 16.4 -5.4 38 233 A T S S- 0 0 58 13,-0.3 2,-0.3 96,-0.0 -2,-0.3 -0.823 78.4-114.0-128.3 167.7 -27.9 17.0 -1.8 39 234 A K S S+ 0 0 164 -2,-0.3 -2,-0.0 1,-0.2 97,-0.0 -0.758 87.9 4.0-102.4 147.1 -24.8 17.2 0.4 40 235 A N S S- 0 0 128 -2,-0.3 -1,-0.2 1,-0.1 2,-0.0 0.882 80.3-174.1 51.5 51.1 -23.9 14.8 3.2 41 236 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.352 15.7-135.1 -74.9 159.1 -26.8 12.3 2.7 42 237 A S > - 0 0 31 1,-0.1 4,-2.1 96,-0.1 5,-0.2 -0.582 32.0-100.7-101.9 169.2 -27.4 9.4 5.1 43 238 A Y H > S+ 0 0 35 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.914 127.7 49.7 -56.5 -41.1 -28.2 5.9 4.0 44 239 A E H >>S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.8 0.828 105.6 56.6 -67.2 -33.5 -31.9 6.7 4.8 45 240 A D H >5S+ 0 0 41 3,-0.2 4,-1.4 2,-0.2 6,-0.9 0.944 114.4 38.2 -62.6 -48.0 -31.7 9.9 2.8 46 241 A V H <5S+ 0 0 8 -4,-2.1 6,-0.4 4,-0.2 4,-0.3 0.941 122.4 41.2 -67.8 -50.8 -30.6 8.1 -0.4 47 242 A S H <5S+ 0 0 23 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.821 135.3 12.7 -69.9 -34.2 -32.8 4.9 0.1 48 243 A Y H <5S+ 0 0 163 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.609 121.8 54.5-122.4 -15.9 -36.0 6.6 1.2 49 244 A R S <> -A 3 0A 8 -37,-3.5 4,-2.7 -2,-0.3 3,-2.4 -0.692 28.9-154.3 -79.0 107.0 -1.4 1.9 -7.2 63 258 A A T 34 S+ 0 0 19 -61,-2.6 -1,-0.2 -2,-0.9 -60,-0.2 0.700 93.5 57.5 -56.2 -21.0 -0.8 3.7 -10.5 64 259 A D T 34 S+ 0 0 120 -62,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.575 115.9 33.1 -87.8 -9.5 2.3 1.6 -11.0 65 260 A K T <4 S+ 0 0 107 -3,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.768 123.0 33.1-108.9 -45.2 0.5 -1.7 -10.8 66 261 A L < - 0 0 15 -4,-2.7 -1,-0.3 -41,-0.2 2,-0.2 -0.930 63.5-150.7-121.9 141.5 -2.9 -1.0 -12.4 67 262 A S > - 0 0 47 -2,-0.4 4,-2.1 -3,-0.1 5,-0.2 -0.600 38.3-103.2 -98.8 164.6 -4.0 1.4 -15.2 68 263 A L H > S+ 0 0 15 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.856 124.0 54.8 -56.5 -34.8 -7.5 2.9 -15.4 69 264 A D H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.918 103.6 52.7 -66.5 -43.1 -8.3 0.4 -18.0 70 265 A D H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.949 110.4 49.4 -55.6 -47.8 -7.4 -2.6 -15.8 71 266 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.896 111.0 49.6 -57.7 -42.1 -9.7 -1.1 -13.2 72 267 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.870 107.3 53.8 -67.4 -36.3 -12.5 -0.8 -15.8 73 268 A Q H X S+ 0 0 50 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.923 108.7 48.9 -64.3 -42.0 -12.0 -4.4 -17.0 74 269 A Y H X S+ 0 0 23 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.882 111.4 52.2 -62.0 -37.4 -12.4 -5.6 -13.4 75 270 A F H >X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 3,-1.2 0.966 109.0 47.6 -61.3 -55.1 -15.5 -3.4 -13.2 76 271 A F H 3< S+ 0 0 8 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.693 99.6 70.2 -61.1 -23.1 -17.1 -4.9 -16.4 77 272 A R H 3< S+ 0 0 58 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.837 116.5 18.7 -65.5 -32.2 -16.4 -8.4 -15.2 78 273 A V H << S+ 0 0 23 -3,-1.2 2,-0.4 -4,-0.7 -2,-0.2 0.517 108.8 80.9-119.1 -7.3 -19.0 -8.2 -12.5 79 274 A V S < S- 0 0 3 -4,-1.5 -68,-0.1 -5,-0.1 8,-0.1 -0.860 72.6-130.6-105.4 135.9 -21.4 -5.3 -13.4 80 275 A D > - 0 0 70 -2,-0.4 3,-0.7 1,-0.1 6,-0.2 -0.763 20.8-169.8 -84.2 109.2 -24.2 -5.7 -15.9 81 276 A P T 3 S+ 0 0 0 0, 0.0 45,-3.2 0, 0.0 46,-0.6 0.354 76.2 59.8 -81.8 4.9 -23.7 -2.6 -18.2 82 277 A T T 3 S+ 0 0 29 43,-0.3 2,-0.5 44,-0.1 -2,-0.0 0.511 81.8 89.7-111.5 -8.0 -27.0 -3.0 -20.0 83 278 A S X - 0 0 27 -3,-0.7 3,-0.5 3,-0.1 2,-0.5 -0.793 67.2-138.6 -97.9 132.4 -29.5 -2.7 -17.2 84 279 A L T 3 S- 0 0 121 -2,-0.5 8,-0.1 1,-0.2 12,-0.1 -0.741 79.0 -15.4 -90.9 128.5 -31.0 0.7 -16.2 85 280 A N T 3 S+ 0 0 47 -2,-0.5 7,-2.5 8,-0.1 2,-0.3 0.858 118.1 91.9 47.9 45.5 -31.4 1.4 -12.5 86 281 A K E < +F 91 0B 94 -3,-0.5 2,-0.4 9,-0.4 5,-0.2 -0.848 39.9 170.6-170.2 128.7 -31.0 -2.3 -11.6 87 282 A Q E > S-F 90 0B 6 3,-2.0 3,-1.9 -2,-0.3 -75,-0.3 -0.964 74.1 -36.4-139.8 118.3 -28.3 -4.7 -10.6 88 283 A G T 3 S- 0 0 37 -2,-0.4 -77,-0.0 1,-0.3 67,-0.0 -0.491 125.9 -25.0 67.3-131.2 -29.3 -8.2 -9.4 89 284 A N T 3 S+ 0 0 138 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.426 114.6 105.8 -94.9 1.1 -32.5 -7.8 -7.3 90 285 A D E < -F 87 0B 26 -3,-1.9 -3,-2.0 5,-0.1 2,-0.4 -0.724 49.0-176.0 -88.5 120.8 -31.8 -4.2 -6.5 91 286 A T E +F 86 0B 99 -2,-0.6 -5,-0.2 -5,-0.2 2,-0.2 -0.921 31.4 70.7-119.8 141.4 -33.9 -1.6 -8.3 92 287 A G S > S- 0 0 24 -7,-2.5 3,-2.2 -2,-0.4 4,-0.1 -0.546 86.4 -79.3 136.9 157.9 -33.7 2.2 -8.2 93 288 A T G > S+ 0 0 69 1,-0.3 3,-1.3 2,-0.2 -8,-0.1 0.724 121.0 69.4 -60.7 -19.9 -31.6 5.1 -9.3 94 289 A Q G 3 S+ 0 0 20 1,-0.3 -39,-3.3 -40,-0.2 -1,-0.3 0.610 100.8 47.2 -74.5 -8.7 -29.3 4.4 -6.4 95 290 A Y G < S+ 0 0 25 -3,-2.2 -9,-0.4 -41,-0.2 -1,-0.3 0.160 83.7 131.6-113.2 13.6 -28.2 1.2 -8.1 96 291 A R < - 0 0 25 -3,-1.3 -85,-0.6 -11,-0.2 2,-0.3 -0.298 59.5-114.1 -65.4 151.9 -27.6 2.8 -11.5 97 292 A S E +B 10 0A 3 -14,-0.4 31,-2.0 -87,-0.2 2,-0.3 -0.663 49.9 138.9 -90.7 145.4 -24.3 1.9 -13.2 98 293 A G E -Be 9 128A 0 -89,-2.2 -89,-3.2 -2,-0.3 2,-0.4 -0.953 43.6-137.3-177.2 157.6 -21.6 4.6 -13.8 99 294 A V E -Be 8 129A 0 29,-2.5 31,-1.5 -2,-0.3 2,-0.4 -0.998 26.4-168.1-124.1 123.0 -18.0 5.6 -13.8 100 295 A Y E -Be 7 130A 0 -93,-2.9 -93,-2.1 -2,-0.4 2,-0.3 -0.949 4.1-164.5-119.3 136.3 -17.3 9.1 -12.4 101 296 A Y E - e 0 131A 13 29,-1.1 31,-2.4 -2,-0.4 -95,-0.1 -0.838 27.6-160.1-122.8 157.0 -14.0 10.9 -12.7 102 297 A T S S+ 0 0 91 -97,-0.4 -1,-0.1 -2,-0.3 -96,-0.1 0.485 84.6 68.2-105.9 -10.7 -12.1 13.9 -11.2 103 298 A D S > S- 0 0 75 1,-0.1 3,-2.5 0, 0.0 4,-0.3 -0.949 72.1-150.5-113.6 112.8 -9.7 14.3 -14.1 104 299 A P T > S+ 0 0 107 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.745 94.3 67.6 -53.7 -24.2 -11.4 15.6 -17.3 105 300 A A T 3> S+ 0 0 69 1,-0.2 4,-0.7 2,-0.1 3,-0.3 0.710 89.9 66.0 -69.9 -18.2 -8.7 13.7 -19.4 106 301 A E H <> S+ 0 0 24 -3,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.630 80.3 79.0 -78.8 -14.0 -10.2 10.4 -18.2 107 302 A K H <> S+ 0 0 91 -3,-1.2 4,-2.4 -4,-0.3 -1,-0.2 0.935 95.0 45.3 -59.4 -48.7 -13.5 10.9 -19.9 108 303 A A H > S+ 0 0 73 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.869 111.9 52.7 -64.4 -37.0 -12.1 9.9 -23.3 109 304 A V H X S+ 0 0 68 -4,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.922 111.1 46.6 -65.2 -42.5 -10.4 6.9 -21.8 110 305 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.904 111.3 51.5 -66.2 -41.8 -13.6 5.7 -20.1 111 306 A A H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.877 108.8 51.0 -63.1 -39.1 -15.6 6.2 -23.4 112 307 A A H X S+ 0 0 50 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.880 109.2 51.3 -66.0 -38.4 -13.1 4.2 -25.4 113 308 A A H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.887 110.8 48.5 -65.7 -39.5 -13.4 1.4 -22.8 114 309 A L H X S+ 0 0 24 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.887 107.3 55.2 -67.9 -38.8 -17.2 1.4 -23.1 115 310 A K H < S+ 0 0 168 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.915 110.6 46.0 -60.8 -41.0 -17.0 1.3 -26.9 116 311 A R H >< S+ 0 0 188 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.887 110.1 52.9 -68.3 -39.7 -14.9 -1.8 -26.7 117 312 A E H >< S+ 0 0 9 -4,-2.0 3,-2.2 1,-0.3 4,-0.3 0.831 97.3 67.5 -64.7 -33.0 -17.2 -3.4 -24.1 118 313 A Q G >< S+ 0 0 56 -4,-2.1 3,-1.3 1,-0.3 -1,-0.3 0.752 86.9 68.9 -60.3 -23.8 -20.2 -2.8 -26.4 119 314 A Q G < S+ 0 0 167 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.670 97.0 53.2 -69.7 -14.1 -18.7 -5.4 -28.8 120 315 A K G < S+ 0 0 144 -3,-2.2 2,-0.4 -4,-0.2 -1,-0.3 0.475 105.5 64.7 -97.5 -3.1 -19.5 -8.0 -26.2 121 316 A Y < - 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0 0 41 -2,-0.1 -141,-0.1 -3,-0.1 4,-0.0 -0.906 29.3-166.5-156.5 124.1 -23.9 -9.7 -2.3 155 350 A H S S+ 0 0 45 -2,-0.3 2,-0.4 -143,-0.2 -67,-0.1 0.448 78.7 73.1 -87.2 -0.9 -25.0 -9.7 -5.9 156 351 A I S S- 0 0 12 -77,-0.0 2,-1.6 -68,-0.0 3,-0.1 -0.934 81.1-130.4-120.4 138.0 -21.4 -10.2 -6.9 157 352 A D > - 0 0 73 -2,-0.4 3,-2.4 1,-0.2 4,-0.2 -0.671 24.0-165.1 -82.7 87.7 -19.3 -13.4 -6.7 158 353 A I G > S+ 0 0 23 -2,-1.6 3,-1.8 1,-0.3 4,-0.2 0.712 79.4 75.2 -48.4 -23.8 -16.3 -11.6 -5.0 159 354 A R G > S+ 0 0 170 1,-0.3 3,-2.7 2,-0.2 4,-0.3 0.864 78.5 73.5 -57.9 -38.0 -14.2 -14.7 -5.9 160 355 A K G X S+ 0 0 87 -3,-2.4 3,-0.7 1,-0.3 -1,-0.3 0.596 77.8 76.8 -54.1 -12.6 -14.1 -13.5 -9.5 161 356 A A G < S+ 0 0 4 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.765 84.7 65.0 -70.8 -22.7 -11.7 -10.8 -8.4 162 357 A D G < S+ 0 0 89 -3,-2.7 -1,-0.2 -4,-0.2 -2,-0.2 0.715 75.1 103.8 -72.4 -23.8 -9.0 -13.5 -8.3 163 358 A E S < S- 0 0 103 -3,-0.7 2,-0.1 -4,-0.3 -3,-0.0 -0.406 77.6-121.0 -62.0 132.0 -9.1 -14.2 -12.0 164 359 A P - 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