*HEADER MEMBRANE PROTEIN 25-SEP-08 SMS20047 *TITLE INTERACTION OF THE DENGUE VIRUS FUSION PEPTIDE WITH MEMBRANES BY NMR: *TITLE 2 THE ESSENTIAL ROLE OF W101 OF E PROTEIN FOR MEMBRANE FUSION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ENVELOPE PROTEIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: RESIDUES 98-112; *COMPND 5 ENGINEERED: YES; *COMPND 6 OTHER_DETAILS: FUSION PEPTIDE *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: DENGUE VIRUS 2; *SOURCE 4 ORGANISM_TAXID: 11060; *SOURCE 5 OTHER_DETAILS: THE PEPTIDES WERE PURCHASED FROM GENEMED SYNTHESIS *KEYWDS FUSION PEPTIDE, DPC, DENGUE, MEMBRANE PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.N.MELO, F.J.R.SOUSA, F.A.CARNEIRO, M.A.R.B.CASTANHO, A.P.VALENTE, *AUTHOR 2 F.C.L.ALMEIDA, A.T.DA POIAN, R.MOHANA-BORGES assign (resid 2 and name HA) (resid 2 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.281 assign (resid 2 and name HA) (resid 2 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.246 assign (resid 2 and name HD#) (resid 2 and name HB#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.292 assign (resid 2 and name HD#) (resid 2 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.348 assign (resid 2 and name HE) (resid 2 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.90 assign (resid 2 and name HE) (resid 2 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.93 assign (resid 2 and name HE) (resid 2 and name HD#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.92 assign (resid 2 and name HA) (resid 2 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.280 assign (resid 2 and name HE) (resid 2 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.94 assign (resid 2 and name HD1#) (resid 2 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.140 assign (resid 2 and name HD1#) (resid 2 and name HE) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.197 assign (resid 2 and name HD1#) (resid 2 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.141 assign (resid 2 and name HD2#) (resid 2 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.119 assign (resid 2 and name HD2#) (resid 2 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.118 assign (resid 2 and name HD1#) (resid 2 and name HD2#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.198 assign (resid 2 and name HN) (resid 2 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.0 assign (resid 2 and name HN) (resid 2 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.3 assign (resid 2 and name HN) (resid 2 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.1 assign (resid 2 and name HE) (resid 2 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.364 assign (resid 2 and name HN) (resid 2 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.45 assign (resid 3 and name HA#) (resid 2 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.312 assign (resid 3 and name HA#) (resid 2 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.300 assign (resid 2 and name HE) (resid 3 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.91 assign (resid 2 and name HA) (resid 3 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.339 assign (resid 3 and name HN) (resid 2 and name HA) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.20 assign (resid 3 and name HN) (resid 2 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.24 assign (resid 3 and name HN) (resid 2 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.196 assign (resid 3 and name HN) (resid 2 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.392 assign (resid 3 and name HN) (resid 3 and name HA#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.340 assign (resid 4 and name HD1) (resid 2 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.99 assign (resid 4 and name HE3) (resid 2 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.394 assign (resid 4 and name HN) (resid 2 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.29 assign (resid 4 and name HD1) (resid 3 and name HA#) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.100 assign (resid 4 and name HE3) (resid 3 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.382 assign (resid 4 and name HN) (resid 3 and name HA#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.19 assign (resid 3 and name HN) (resid 4 and name HZ2) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.378 assign (resid 4 and name HA) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.243 assign (resid 4 and name HA) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.244 assign (resid 4 and name HB#) (resid 4 and name HB#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.273 assign (resid 4 and name HD1) (resid 4 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.97 assign (resid 4 and name HD1) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.98 assign (resid 4 and name HD1) (resid 4 and name HE1) 2.800 1.0 0.0 ! noesy_peptcur_100mMDPC_600.173 !assign (resid 4 and name HE3) (resid 4 and name HA) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.86 assign (resid 4 and name HE3) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.88 assign (resid 4 and name HE3) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.89 assign (resid 4 and name HE3) (resid 4 and name HD1) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.210 assign (resid 4 and name HE3) (resid 4 and name HE1) 6.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.350 !assign (resid 4 and name HH2) (resid 4 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.359 assign (resid 4 and name HH2) (resid 4 and name HB#) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.352 assign (resid 4 and name HH2) (resid 4 and name HB#) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.353 assign (resid 4 and name HH2) (resid 4 and name HE1) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.174 assign (resid 4 and name HH2) (resid 4 and name HE3) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.178 assign (resid 4 and name HN) (resid 4 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.26 assign (resid 4 and name HN) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.27 assign (resid 4 and name HN) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.28 assign (resid 4 and name HN) (resid 4 and name HD1) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.205 assign (resid 4 and name HN) (resid 4 and name HE1) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.187 assign (resid 4 and name HN) (resid 4 and name HE3) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.204 !assign (resid 4 and name HZ2) (resid 4 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.360 assign (resid 4 and name HZ2) (resid 4 and name HB#) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.361 assign (resid 4 and name HZ2) (resid 4 and name HD1) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.211 assign (resid 4 and name HZ2) (resid 4 and name HE1) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.172 assign (resid 4 and name HZ2) (resid 4 and name HH2) 2.800 1.0 0.0 ! noesy_peptcur_100mMDPC_600.175 !assign (resid 4 and name HZ3) (resid 4 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.135 assign (resid 4 and name HZ3) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.132 assign (resid 4 and name HZ3) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.133 assign (resid 4 and name HZ3) (resid 4 and name HE1) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.351 assign (resid 4 and name HZ3) (resid 4 and name HE3) 2.800 1.0 0.0 ! noesy_peptcur_100mMDPC_600.179 assign (resid 4 and name HH2) (resid 4 and name HZ3) 2.800 1.0 0.0 ! noesy_peptcur_100mMDPC_600.181 assign (resid 4 and name HN) (resid 4 and name HZ3) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.385 assign (resid 4 and name HZ2) (resid 4 and name HZ3) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.176 assign (resid 4 and name HE3) (resid 5 and name HA#) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.84 assign (resid 5 and name HA#) (resid 4 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.259 assign (resid 5 and name HA#) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.305 !assign (resid 4 and name HE3) (resid 5 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.87 assign (resid 5 and name HN) (resid 4 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.6 assign (resid 5 and name HN) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.9 assign (resid 5 and name HN) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.10 assign (resid 5 and name HN) (resid 4 and name HD1) 5.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.202 assign (resid 5 and name HN) (resid 4 and name HE3) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.203 assign (resid 5 and name HN) (resid 4 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.147 assign (resid 4 and name HZ3) (resid 5 and name HN) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.363 assign (resid 5 and name HN) (resid 5 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.7 assign (resid 5 and name HN) (resid 5 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.8 assign (resid 6 and name HD2#) (resid 2 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.387 !assign (resid 4 and name HD1) (resid 6 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.237 assign (resid 4 and name HE3) (resid 6 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.183 assign (resid 6 and name HD2#) (resid 5 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.80 assign (resid 6 and name HD2#) (resid 5 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.82 assign (resid 6 and name HD22) (resid 5 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.127 assign (resid 6 and name HN) (resid 5 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.192 assign (resid 6 and name HA) (resid 6 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.247 assign (resid 6 and name HA) (resid 6 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.248 assign (resid 6 and name HD2#) (resid 6 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.81 assign (resid 6 and name HD22) (resid 6 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.238 assign (resid 6 and name HD22) (resid 6 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.128 assign (resid 6 and name HD22) (resid 6 and name HD2#) 2.800 1.0 0.0 ! noesy_peptcur_100mMDPC_600.185 assign (resid 6 and name HN) (resid 6 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.34 assign (resid 6 and name HN) (resid 6 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.4 assign (resid 6 and name HN) (resid 6 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.2 assign (resid 7 and name HA#) (resid 4 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.258 !assign (resid 7 and name HA#) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.302 assign (resid 7 and name HA#) (resid 4 and name HB#) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.301 assign (resid 7 and name HN) (resid 4 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.193 assign (resid 7 and name HN) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.25 assign (resid 7 and name HN) (resid 4 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.22 assign (resid 7 and name HN) (resid 5 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.144 assign (resid 7 and name HA#) (resid 6 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.299 assign (resid 7 and name HN) (resid 6 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.341 assign (resid 7 and name HN) (resid 6 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.23 assign (resid 7 and name HN) (resid 6 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.371 assign (resid 7 and name HN) (resid 6 and name HD22) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.373 assign (resid 6 and name HN) (resid 7 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.142 assign (resid 7 and name HN) (resid 7 and name HA#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.21 assign (resid 8 and name HN) (resid 4 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.195 assign (resid 5 and name HN) (resid 8 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.148 assign (resid 6 and name HD2#) (resid 8 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.78 assign (resid 6 and name HD22) (resid 8 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.126 assign (resid 8 and name HN) (resid 6 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.215 assign (resid 8 and name HN) (resid 7 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.43 assign (resid 8 and name HB#) (resid 8 and name HA) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.270 assign (resid 8 and name HN) (resid 8 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.42 assign (resid 8 and name HN) (resid 8 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.44 assign (resid 4 and name HZ2) (resid 9 and name HA#) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.362 assign (resid 5 and name HN) (resid 9 and name HN) 5.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.239 assign (resid 6 and name HD2#) (resid 9 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.368 assign (resid 9 and name HN) (resid 8 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.11 assign (resid 9 and name HN) (resid 8 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.12 assign (resid 9 and name HN) (resid 8 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.150 assign (resid 9 and name HN) (resid 9 and name HA#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.13 assign (resid 4 and name HH2) (resid 10 and name HB#) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.113 assign (resid 4 and name HE3) (resid 10 and name HD##) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.85 assign (resid 4 and name HH2) (resid 10 and name HD##) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.115 assign (resid 4 and name HZ3) (resid 10 and name HD##) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.131 assign (resid 4 and name HE3) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.393 assign (resid 4 and name HH2) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.116 assign (resid 4 and name HZ2) (resid 10 and name HD2#) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.395 assign (resid 4 and name HZ3) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.134 assign (resid 4 and name HH2) (resid 10 and name HG) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.114 assign (resid 10 and name HN) (resid 4 and name HN) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.162 assign (resid 6 and name HD2#) (resid 10 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.79 assign (resid 7 and name HA#) (resid 10 and name HG) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.287 assign (resid 9 and name HA#) (resid 10 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.286 assign (resid 9 and name HN) (resid 10 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.386 assign (resid 10 and name HN) (resid 9 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.73 assign (resid 10 and name HA) (resid 10 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.285 assign (resid 10 and name HA) (resid 10 and name HD##) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.283 assign (resid 10 and name HB#) (resid 10 and name HD##) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.326 assign (resid 10 and name HA) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.282 assign (resid 10 and name HB#) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.327 assign (resid 10 and name HD##) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.336 assign (resid 10 and name HA) (resid 10 and name HG) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.284 assign (resid 10 and name HG) (resid 10 and name HB#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.324 assign (resid 10 and name HG) (resid 10 and name HD##) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.329 assign (resid 10 and name HG) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.328 assign (resid 10 and name HN) (resid 10 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.72 assign (resid 10 and name HN) (resid 10 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.75 assign (resid 10 and name HN) (resid 10 and name HD##) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.71 assign (resid 10 and name HN) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.77 assign (resid 10 and name HN) (resid 10 and name HG) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.76 assign (resid 4 and name HZ3) (resid 11 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.229 assign (resid 5 and name HA#) (resid 11 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.262 assign (resid 7 and name HA#) (resid 11 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.261 assign (resid 11 and name HD#) (resid 9 and name HN) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.367 assign (resid 10 and name HA) (resid 11 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.260 assign (resid 10 and name HA) (resid 11 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.298 assign (resid 11 and name HB#) (resid 10 and name HD##) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.290 assign (resid 11 and name HB#) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.289 assign (resid 11 and name HD#) (resid 10 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.104 assign (resid 11 and name HD#) (resid 10 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.107 assign (resid 11 and name HD#) (resid 10 and name HD1#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.108 assign (resid 11 and name HD#) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.109 assign (resid 11 and name HD#) (resid 10 and name HG) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.106 assign (resid 10 and name HN) (resid 11 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.209 assign (resid 11 and name HN) (resid 10 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.63 assign (resid 11 and name HN) (resid 10 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.66 assign (resid 11 and name HN) (resid 10 and name HD##) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.67 assign (resid 11 and name HN) (resid 10 and name HD2#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.62 assign (resid 11 and name HN) (resid 10 and name HG) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.69 assign (resid 10 and name HN) (resid 11 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.161 assign (resid 11 and name HB#) (resid 11 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.263 assign (resid 11 and name HB#) (resid 11 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.269 assign (resid 11 and name HB#) (resid 11 and name HB#) 2.800 1.0 0.0 ! noesy_peptcur_100mMDPC_600.189 assign (resid 11 and name HD#) (resid 11 and name HA) 3.4 1.6 0.0 ! noesy_peptcur_100mMDPC_600.103 assign (resid 11 and name HD#) (resid 11 and name HB#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.101 assign (resid 11 and name HD#) (resid 11 and name HB#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.105 assign (resid 11 and name HN) (resid 11 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.68 assign (resid 11 and name HN) (resid 11 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.64 assign (resid 11 and name HN) (resid 11 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.65 assign (resid 11 and name HN) (resid 11 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.208 assign (resid 11 and name HZ) (resid 11 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.358 assign (resid 11 and name HZ) (resid 11 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.354 assign (resid 11 and name HZ) (resid 11 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.355 assign (resid 11 and name HE1) (resid 11 and name HZ) 2.800 1.0 0.0 ! noesy_peptcur_100mMDPC_600.226 assign (resid 11 and name HZ) (resid 11 and name HN) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.356 assign (resid 12 and name HN) (resid 10 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.376 assign (resid 12 and name HN) (resid 11 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.49 assign (resid 12 and name HN) (resid 11 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.53 assign (resid 12 and name HN) (resid 11 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.48 assign (resid 12 and name HN) (resid 11 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.207 assign (resid 11 and name HN) (resid 12 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.164 assign (resid 12 and name HN) (resid 12 and name HA#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.52 assign (resid 12 and name HN) (resid 12 and name HA#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.50 assign (resid 8 and name HN) (resid 13 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.388 assign (resid 8 and name HN) (resid 13 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.389 assign (resid 8 and name HN) (resid 13 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.390 assign (resid 9 and name HA#) (resid 13 and name HA) 6.0 3.2 0.0 ! noesy_peptcur_100mMDPC_600.256 assign (resid 9 and name HN) (resid 13 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.151 assign (resid 10 and name HN) (resid 13 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.391 assign (resid 10 and name HN) (resid 13 and name HE1) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.74 assign (resid 13 and name HN) (resid 11 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.190 assign (resid 13 and name HA) (resid 12 and name HA#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.252 assign (resid 13 and name HN) (resid 12 and name HA#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.313 assign (resid 13 and name HN) (resid 12 and name HA#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.31 assign (resid 13 and name HN) (resid 12 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.154 assign (resid 13 and name HA) (resid 13 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.276 assign (resid 13 and name HA) (resid 13 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.277 assign (resid 13 and name HA) (resid 13 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.278 assign (resid 13 and name HD#) (resid 13 and name HB#) 2.800 1.0 0.0 ! noesy_peptcur_100mMDPC_600.334 assign (resid 13 and name HA) (resid 13 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.279 assign (resid 13 and name HB#) (resid 13 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.314 assign (resid 13 and name HD#) (resid 13 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.315 assign (resid 13 and name HE1) (resid 13 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.291 assign (resid 13 and name HN) (resid 13 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.32 assign (resid 13 and name HN) (resid 13 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.33 assign (resid 13 and name HN) (resid 13 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.36 assign (resid 13 and name HN) (resid 13 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.30 assign (resid 13 and name HN) (resid 13 and name HE1) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.35 assign (resid 13 and name HN) (resid 13 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.37 assign (resid 14 and name HN) (resid 11 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.143 assign (resid 14 and name HA#) (resid 13 and name HA) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.338 assign (resid 14 and name HA#) (resid 13 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.310 assign (resid 14 and name HA#) (resid 13 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.309 assign (resid 14 and name HA#) (resid 13 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.311 assign (resid 14 and name HN) (resid 13 and name HA) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.15 assign (resid 14 and name HN) (resid 13 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.17 assign (resid 14 and name HN) (resid 13 and name HB#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.18 assign (resid 14 and name HN) (resid 13 and name HD#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.342 assign (resid 14 and name HN) (resid 13 and name HG#) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.14 assign (resid 14 and name HN) (resid 13 and name HN) 5.000 3.2 0.0 ! noesy_peptcur_100mMDPC_600.152 assign (resid 14 and name HN) (resid 14 and name HA#) 2.800 1.0 0.0 ! noesy_peptcur_100mMDPC_600.16 assign (resid 15 and name HN) (resid 14 and name HA#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.60 assign (resid 15 and name HN) (resid 15 and name HA#) 3.400 1.6 0.0 ! noesy_peptcur_100mMDPC_600.61 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 98 HT1 ASP 98 11.701 -3.435 -2.469 2 H2 ASP 98 HT2 ASP 98 11.386 -5.028 -3.025 3 H3 ASP 98 HT3 ASP 98 12.649 -4.744 -1.897 4 HA ASP 98 HA ASP 98 9.747 -4.561 -1.490 5 HB2 ASP 98 HB2 ASP 98 11.968 -6.147 -0.176 6 HB3 ASP 98 HB1 ASP 98 10.268 -6.210 0.279 7 H ARG 99 HN ARG 99 12.928 -3.939 -0.019 8 HA ARG 99 HA ARG 99 11.761 -2.488 2.170 9 HB2 ARG 99 HB2 ARG 99 13.757 -3.785 2.576 10 HB3 ARG 99 HB1 ARG 99 14.631 -2.901 1.338 11 HG2 ARG 99 HG2 ARG 99 15.299 -2.159 3.537 12 HG3 ARG 99 HG1 ARG 99 14.461 -0.860 2.690 13 HD2 ARG 99 HD2 ARG 99 13.167 -2.701 4.699 14 HD3 ARG 99 HD1 ARG 99 13.819 -1.106 5.087 15 HE ARG 99 HE ARG 99 11.298 -1.661 3.939 16 HH11 ARG 99 HH11 ARG 99 13.932 0.626 3.776 17 HH12 ARG 99 HH12 ARG 99 12.943 1.911 3.173 18 HH21 ARG 99 HH21 ARG 99 9.996 0.031 3.152 19 HH22 ARG 99 HH22 ARG 99 10.709 1.576 2.820 20 H GLY 100 HN GLY 100 14.535 -1.237 0.453 21 HA2 GLY 100 HA2 GLY 100 14.244 0.619 -1.177 22 HA3 GLY 100 HA1 GLY 100 12.986 1.220 -0.105 23 H TRP 101 HN TRP 101 16.383 0.202 0.110 24 HA TRP 101 HA TRP 101 16.981 1.870 2.313 25 HB2 TRP 101 HB2 TRP 101 18.868 0.612 0.321 26 HB3 TRP 101 HB1 TRP 101 19.290 1.213 1.923 27 HD1 TRP 101 HD1 TRP 101 17.740 -0.136 3.944 28 HE1 TRP 101 HE1 TRP 101 17.336 -2.680 4.098 29 HE3 TRP 101 HE3 TRP 101 18.755 -1.322 -0.841 30 HZ2 TRP 101 HZ2 TRP 101 17.437 -4.907 2.342 31 HZ3 TRP 101 HZ3 TRP 101 18.591 -3.665 -1.578 32 HH2 TRP 101 HH2 TRP 101 17.951 -5.428 -0.014 33 H GLY 102 HN GLY 102 19.169 2.229 -0.354 34 HA2 GLY 102 HA2 GLY 102 19.593 4.078 -1.731 35 HA3 GLY 102 HA1 GLY 102 18.242 4.921 -0.972 36 H ASN 103 HN ASN 103 19.019 4.390 1.692 37 HA ASN 103 HA ASN 103 20.780 6.548 2.192 38 HB2 ASN 103 HB2 ASN 103 20.554 5.821 4.563 39 HB3 ASN 103 HB1 ASN 103 19.015 6.052 3.750 40 HD21 ASN 103 HD21 ASN 103 20.166 3.185 2.526 41 HD22 ASN 103 HD22 ASN 103 19.438 2.101 3.641 42 H GLY 104 HN GLY 104 21.438 3.442 1.193 43 HA2 GLY 104 HA2 GLY 104 23.324 2.172 1.133 44 HA3 GLY 104 HA1 GLY 104 24.203 3.651 1.501 45 H CYS 105 HN CYS 105 21.796 1.969 3.450 46 HA CYS 105 HA CYS 105 23.825 1.642 5.553 47 HB2 CYS 105 HB2 CYS 105 21.987 3.134 6.189 48 HB3 CYS 105 HB1 CYS 105 20.817 1.876 5.802 49 HG CYS 105 HG CYS 105 21.206 0.822 7.991 50 H GLY 106 HN GLY 106 21.359 0.075 3.638 51 HA2 GLY 106 HA2 GLY 106 22.071 -2.487 4.929 52 HA3 GLY 106 HA1 GLY 106 20.490 -2.153 4.235 53 H LEU 107 HN LEU 107 21.850 -0.716 1.970 54 HA LEU 107 HA LEU 107 23.568 -2.331 0.544 55 HB2 LEU 107 HB2 LEU 107 21.905 -4.069 0.602 56 HB3 LEU 107 HB1 LEU 107 20.667 -2.967 0.051 57 HG LEU 107 HG LEU 107 21.730 -2.832 -2.142 58 HD11 LEU 107 HD11 LEU 107 23.574 -5.068 -1.557 59 HD12 LEU 107 HD12 LEU 107 24.040 -3.479 -0.951 60 HD13 LEU 107 HD13 LEU 107 23.749 -3.714 -2.674 61 HD21 LEU 107 HD21 LEU 107 21.641 -5.512 -2.484 62 HD22 LEU 107 HD22 LEU 107 20.218 -4.475 -2.386 63 HD23 LEU 107 HD23 LEU 107 20.777 -5.345 -0.956 64 H PHE 108 HN PHE 108 23.931 -1.585 -1.593 65 HA PHE 108 HA PHE 108 23.938 -0.100 -3.322 66 HB2 PHE 108 HB2 PHE 108 21.303 0.900 -2.227 67 HB3 PHE 108 HB1 PHE 108 21.977 1.259 -3.809 68 HD1 PHE 108 HD1 PHE 108 22.729 -1.036 -5.063 69 HD2 PHE 108 HD2 PHE 108 19.604 -0.554 -2.225 70 HE1 PHE 108 HE1 PHE 108 21.593 -3.009 -5.988 71 HE2 PHE 108 HE2 PHE 108 18.457 -2.526 -3.145 72 HZ PHE 108 HZ PHE 108 19.464 -3.740 -5.019 73 H GLY 109 HN GLY 109 25.369 0.443 -1.006 74 HA2 GLY 109 HA2 GLY 109 26.304 2.951 -1.298 75 HA3 GLY 109 HA1 GLY 109 24.909 3.206 -0.263 76 H LYS 110 HN LYS 110 25.252 0.646 1.137 77 HA LYS 110 HA LYS 110 26.802 1.508 3.282 78 HB2 LYS 110 HB2 LYS 110 26.644 -0.784 4.131 79 HB3 LYS 110 HB1 LYS 110 25.098 -0.212 3.522 80 HG2 LYS 110 HG2 LYS 110 25.421 -1.476 1.469 81 HG3 LYS 110 HG1 LYS 110 26.996 -2.025 2.046 82 HD2 LYS 110 HD2 LYS 110 25.924 -3.150 3.926 83 HD3 LYS 110 HD1 LYS 110 24.348 -2.576 3.382 84 HE2 LYS 110 HE2 LYS 110 24.718 -4.895 2.717 85 HE3 LYS 110 HE1 LYS 110 24.601 -3.842 1.307 86 HZ1 LYS 110 HZ1 LYS 110 27.023 -3.836 1.174 87 HZ2 LYS 110 HZ2 LYS 110 26.409 -5.407 1.062 88 HZ3 LYS 110 HZ3 LYS 110 27.115 -4.876 2.505 89 H GLY 111 HN GLY 111 27.752 0.002 0.342 90 HA2 GLY 111 HA2 GLY 111 30.532 0.304 1.024 91 HA3 GLY 111 HA1 GLY 111 30.034 -1.376 0.892 92 H GLY 112 HN GLY 112 28.307 -1.346 -1.216 93 HA2 GLY 112 HA2 GLY 112 30.133 -0.675 -3.419 94 HA3 GLY 112 HA1 GLY 112 28.846 -1.869 -3.484 Start of MODEL 2 1 H1 ASP 98 HT1 ASP 98 11.402 -4.077 -4.198 2 H2 ASP 98 HT2 ASP 98 12.768 -3.739 -3.214 3 H3 ASP 98 HT3 ASP 98 11.387 -2.723 -3.147 4 HA ASP 98 HA ASP 98 10.120 -4.721 -2.426 5 HB2 ASP 98 HB2 ASP 98 12.960 -5.685 -1.997 6 HB3 ASP 98 HB1 ASP 98 11.514 -6.489 -1.393 7 H ARG 99 HN ARG 99 13.242 -3.603 -1.103 8 HA ARG 99 HA ARG 99 11.961 -3.085 1.457 9 HB2 ARG 99 HB2 ARG 99 14.074 -4.253 1.538 10 HB3 ARG 99 HB1 ARG 99 14.854 -2.983 0.611 11 HG2 ARG 99 HG2 ARG 99 15.457 -2.812 2.943 12 HG3 ARG 99 HG1 ARG 99 14.486 -1.419 2.467 13 HD2 ARG 99 HD2 ARG 99 13.395 -3.863 3.860 14 HD3 ARG 99 HD1 ARG 99 13.885 -2.382 4.689 15 HE ARG 99 HE ARG 99 11.428 -2.842 3.376 16 HH11 ARG 99 HH11 ARG 99 13.816 -0.354 3.915 17 HH12 ARG 99 HH12 ARG 99 12.701 0.946 3.664 18 HH21 ARG 99 HH21 ARG 99 9.959 -1.134 3.051 19 HH22 ARG 99 HH22 ARG 99 10.510 0.503 3.177 20 H GLY 100 HN GLY 100 14.592 -1.168 0.188 21 HA2 GLY 100 HA2 GLY 100 14.060 1.030 -0.891 22 HA3 GLY 100 HA1 GLY 100 12.840 1.209 0.365 23 H TRP 101 HN TRP 101 16.282 0.348 0.215 24 HA TRP 101 HA TRP 101 16.907 1.441 2.738 25 HB2 TRP 101 HB2 TRP 101 18.752 0.836 0.427 26 HB3 TRP 101 HB1 TRP 101 19.226 1.035 2.112 27 HD1 TRP 101 HD1 TRP 101 17.848 -0.865 3.780 28 HE1 TRP 101 HE1 TRP 101 17.562 -3.385 3.295 29 HE3 TRP 101 HE3 TRP 101 18.651 -0.743 -1.189 30 HZ2 TRP 101 HZ2 TRP 101 17.661 -5.083 1.024 31 HZ3 TRP 101 HZ3 TRP 101 18.545 -2.827 -2.492 32 HH2 TRP 101 HH2 TRP 101 18.067 -4.961 -1.406 33 H GLY 102 HN GLY 102 18.942 2.587 0.170 34 HA2 GLY 102 HA2 GLY 102 19.216 4.749 -0.696 35 HA3 GLY 102 HA1 GLY 102 17.881 5.298 0.318 36 H ASN 103 HN ASN 103 18.827 4.136 2.710 37 HA ASN 103 HA ASN 103 20.539 6.174 3.674 38 HB2 ASN 103 HB2 ASN 103 20.449 4.863 5.788 39 HB3 ASN 103 HB1 ASN 103 18.865 5.219 5.119 40 HD21 ASN 103 HD21 ASN 103 20.068 2.811 3.164 41 HD22 ASN 103 HD22 ASN 103 19.428 1.448 3.989 42 H GLY 104 HN GLY 104 21.250 3.472 1.877 43 HA2 GLY 104 HA2 GLY 104 23.166 2.326 1.434 44 HA3 GLY 104 HA1 GLY 104 24.018 3.697 2.137 45 H CYS 105 HN CYS 105 21.764 1.403 3.598 46 HA CYS 105 HA CYS 105 23.868 0.669 5.522 47 HB2 CYS 105 HB2 CYS 105 21.989 1.853 6.562 48 HB3 CYS 105 HB1 CYS 105 20.863 0.682 5.887 49 HG CYS 105 HG CYS 105 21.366 -0.880 7.720 50 H GLY 106 HN GLY 106 21.373 -0.473 3.349 51 HA2 GLY 106 HA2 GLY 106 22.256 -3.241 3.895 52 HA3 GLY 106 HA1 GLY 106 20.633 -2.821 3.362 53 H LEU 107 HN LEU 107 21.831 -0.768 1.521 54 HA LEU 107 HA LEU 107 23.555 -1.842 -0.332 55 HB2 LEU 107 HB2 LEU 107 22.001 -3.638 -0.698 56 HB3 LEU 107 HB1 LEU 107 20.675 -2.515 -0.885 57 HG LEU 107 HG LEU 107 21.611 -1.723 -2.994 58 HD11 LEU 107 HD11 LEU 107 23.609 -3.896 -3.111 59 HD12 LEU 107 HD12 LEU 107 24.012 -2.508 -2.103 60 HD13 LEU 107 HD13 LEU 107 23.647 -2.279 -3.813 61 HD21 LEU 107 HD21 LEU 107 20.148 -3.362 -3.539 62 HD22 LEU 107 HD22 LEU 107 20.950 -4.567 -2.533 63 HD23 LEU 107 HD23 LEU 107 21.623 -4.144 -4.108 64 H PHE 108 HN PHE 108 23.813 -0.521 -2.173 65 HA PHE 108 HA PHE 108 23.674 1.371 -3.438 66 HB2 PHE 108 HB2 PHE 108 21.003 1.836 -2.099 67 HB3 PHE 108 HB1 PHE 108 21.607 2.662 -3.528 68 HD1 PHE 108 HD1 PHE 108 22.455 0.901 -5.391 69 HD2 PHE 108 HD2 PHE 108 19.451 0.263 -2.455 70 HE1 PHE 108 HE1 PHE 108 21.443 -0.830 -6.812 71 HE2 PHE 108 HE2 PHE 108 18.428 -1.469 -3.870 72 HZ PHE 108 HZ PHE 108 19.435 -2.003 -6.038 73 H GLY 109 HN GLY 109 25.261 1.484 -1.293 74 HA2 GLY 109 HA2 GLY 109 25.978 3.983 -0.820 75 HA3 GLY 109 HA1 GLY 109 24.591 3.872 0.252 76 H LYS 110 HN LYS 110 25.173 1.013 0.831 77 HA LYS 110 HA LYS 110 26.666 1.354 3.165 78 HB2 LYS 110 HB2 LYS 110 26.693 -1.093 3.315 79 HB3 LYS 110 HB1 LYS 110 25.099 -0.488 2.886 80 HG2 LYS 110 HG2 LYS 110 25.490 -1.067 0.555 81 HG3 LYS 110 HG1 LYS 110 27.107 -1.642 0.963 82 HD2 LYS 110 HD2 LYS 110 26.138 -3.341 2.426 83 HD3 LYS 110 HD1 LYS 110 24.520 -2.757 2.037 84 HE2 LYS 110 HE2 LYS 110 25.084 -4.751 0.739 85 HE3 LYS 110 HE1 LYS 110 24.856 -3.349 -0.304 86 HZ1 LYS 110 HZ1 LYS 110 27.576 -3.664 0.533 87 HZ2 LYS 110 HZ2 LYS 110 26.943 -3.485 -1.025 88 HZ3 LYS 110 HZ3 LYS 110 27.008 -5.017 -0.311 89 H GLY 111 HN GLY 111 27.669 0.757 -0.077 90 HA2 GLY 111 HA2 GLY 111 30.234 1.493 0.029 91 HA3 GLY 111 HA1 GLY 111 30.326 -0.131 0.696 92 H GLY 112 HN GLY 112 29.181 -1.834 -0.695 93 HA2 GLY 112 HA2 GLY 112 28.522 -2.512 -2.915 94 HA3 GLY 112 HA1 GLY 112 29.521 -1.217 -3.556 Start of MODEL 3 1 H1 ASP 98 HT1 ASP 98 10.176 -6.078 -0.521 2 H2 ASP 98 HT2 ASP 98 11.645 -6.613 0.187 3 H3 ASP 98 HT3 ASP 98 11.302 -6.971 -1.456 4 HA ASP 98 HA ASP 98 12.889 -5.220 -1.274 5 HB2 ASP 98 HB2 ASP 98 10.145 -4.358 -2.223 6 HB3 ASP 98 HB1 ASP 98 11.665 -3.607 -2.698 7 H ARG 99 HN ARG 99 13.691 -3.630 -0.066 8 HA ARG 99 HA ARG 99 12.015 -2.473 2.013 9 HB2 ARG 99 HB2 ARG 99 14.115 -3.403 2.750 10 HB3 ARG 99 HB1 ARG 99 15.001 -2.431 1.587 11 HG2 ARG 99 HG2 ARG 99 15.251 -1.497 3.790 12 HG3 ARG 99 HG1 ARG 99 14.303 -0.398 2.790 13 HD2 ARG 99 HD2 ARG 99 13.132 -2.378 4.743 14 HD3 ARG 99 HD1 ARG 99 13.428 -0.675 5.105 15 HE ARG 99 HE ARG 99 11.207 -1.742 3.726 16 HH11 ARG 99 HH11 ARG 99 13.375 0.995 3.710 17 HH12 ARG 99 HH12 ARG 99 12.244 2.044 2.923 18 HH21 ARG 99 HH21 ARG 99 9.718 -0.361 2.697 19 HH22 ARG 99 HH22 ARG 99 10.168 1.276 2.351 20 H GLY 100 HN GLY 100 14.760 -0.853 0.585 21 HA2 GLY 100 HA2 GLY 100 14.181 0.864 -1.225 22 HA3 GLY 100 HA1 GLY 100 12.991 1.420 -0.055 23 H TRP 101 HN TRP 101 16.336 0.355 0.342 24 HA TRP 101 HA TRP 101 16.997 2.287 2.254 25 HB2 TRP 101 HB2 TRP 101 18.834 0.735 0.430 26 HB3 TRP 101 HB1 TRP 101 19.297 1.532 1.931 27 HD1 TRP 101 HD1 TRP 101 17.821 0.501 4.153 28 HE1 TRP 101 HE1 TRP 101 17.319 -1.984 4.644 29 HE3 TRP 101 HE3 TRP 101 18.532 -1.311 -0.488 30 HZ2 TRP 101 HZ2 TRP 101 17.232 -4.410 3.175 31 HZ3 TRP 101 HZ3 TRP 101 18.229 -3.715 -0.919 32 HH2 TRP 101 HH2 TRP 101 17.596 -5.240 0.880 33 H GLY 102 HN GLY 102 19.168 2.246 -0.457 34 HA2 GLY 102 HA2 GLY 102 19.649 3.911 -2.038 35 HA3 GLY 102 HA1 GLY 102 18.349 4.892 -1.363 36 H ASN 103 HN ASN 103 19.149 4.623 1.334 37 HA ASN 103 HA ASN 103 21.018 6.739 1.564 38 HB2 ASN 103 HB2 ASN 103 20.772 6.315 4.007 39 HB3 ASN 103 HB1 ASN 103 19.241 6.531 3.173 40 HD21 ASN 103 HD21 ASN 103 20.243 3.476 2.309 41 HD22 ASN 103 HD22 ASN 103 19.455 2.576 3.541 42 H GLY 104 HN GLY 104 21.514 3.515 0.931 43 HA2 GLY 104 HA2 GLY 104 23.331 2.147 1.029 44 HA3 GLY 104 HA1 GLY 104 24.285 3.612 1.228 45 H CYS 105 HN CYS 105 21.801 2.256 3.334 46 HA CYS 105 HA CYS 105 23.808 2.094 5.480 47 HB2 CYS 105 HB2 CYS 105 22.036 3.731 5.924 48 HB3 CYS 105 HB1 CYS 105 20.813 2.491 5.677 49 HG CYS 105 HG CYS 105 21.761 3.078 8.281 50 H GLY 106 HN GLY 106 21.268 0.429 3.746 51 HA2 GLY 106 HA2 GLY 106 21.875 -1.997 5.325 52 HA3 GLY 106 HA1 GLY 106 20.302 -1.674 4.607 53 H LEU 107 HN LEU 107 21.700 -0.567 2.183 54 HA LEU 107 HA LEU 107 23.329 -2.401 0.939 55 HB2 LEU 107 HB2 LEU 107 21.612 -4.062 1.212 56 HB3 LEU 107 HB1 LEU 107 20.401 -2.985 0.556 57 HG LEU 107 HG LEU 107 21.430 -3.137 -1.652 58 HD11 LEU 107 HD11 LEU 107 23.204 -5.360 -0.850 59 HD12 LEU 107 HD12 LEU 107 23.734 -3.734 -0.417 60 HD13 LEU 107 HD13 LEU 107 23.411 -4.137 -2.104 61 HD21 LEU 107 HD21 LEU 107 20.404 -5.081 -2.160 62 HD22 LEU 107 HD22 LEU 107 19.865 -4.974 -0.485 63 HD23 LEU 107 HD23 LEU 107 21.250 -5.983 -0.902 64 H PHE 108 HN PHE 108 23.696 -1.922 -1.270 65 HA PHE 108 HA PHE 108 23.741 -0.648 -3.157 66 HB2 PHE 108 HB2 PHE 108 21.139 0.542 -2.181 67 HB3 PHE 108 HB1 PHE 108 21.814 0.704 -3.795 68 HD1 PHE 108 HD1 PHE 108 22.480 -1.717 -4.811 69 HD2 PHE 108 HD2 PHE 108 19.423 -0.879 -1.982 70 HE1 PHE 108 HE1 PHE 108 21.290 -3.751 -5.507 71 HE2 PHE 108 HE2 PHE 108 18.221 -2.910 -2.673 72 HZ PHE 108 HZ PHE 108 19.166 -4.332 -4.430 73 H GLY 109 HN GLY 109 25.224 0.118 -0.966 74 HA2 GLY 109 HA2 GLY 109 26.215 2.551 -1.532 75 HA3 GLY 109 HA1 GLY 109 24.839 2.957 -0.521 76 H LYS 110 HN LYS 110 25.145 0.527 1.124 77 HA LYS 110 HA LYS 110 26.738 1.576 3.160 78 HB2 LYS 110 HB2 LYS 110 26.513 -0.606 4.250 79 HB3 LYS 110 HB1 LYS 110 24.979 -0.053 3.593 80 HG2 LYS 110 HG2 LYS 110 25.247 -1.534 1.682 81 HG3 LYS 110 HG1 LYS 110 26.807 -2.071 2.308 82 HD2 LYS 110 HD2 LYS 110 25.708 -2.953 4.302 83 HD3 LYS 110 HD1 LYS 110 24.149 -2.395 3.696 84 HE2 LYS 110 HE2 LYS 110 24.456 -4.783 3.285 85 HE3 LYS 110 HE1 LYS 110 24.358 -3.883 1.772 86 HZ1 LYS 110 HZ1 LYS 110 26.995 -4.431 2.947 87 HZ2 LYS 110 HZ2 LYS 110 26.568 -4.218 1.325 88 HZ3 LYS 110 HZ3 LYS 110 26.194 -5.666 2.113 89 H GLY 111 HN GLY 111 27.603 -0.242 0.380 90 HA2 GLY 111 HA2 GLY 111 30.386 0.093 0.881 91 HA3 GLY 111 HA1 GLY 111 29.900 -1.572 1.156 92 H GLY 112 HN GLY 112 28.454 0.530 -1.257 93 HA2 GLY 112 HA2 GLY 112 29.607 0.454 -3.541 94 HA3 GLY 112 HA1 GLY 112 29.503 -1.288 -3.328 Start of MODEL 4 1 H1 ASP 98 HT1 ASP 98 9.855 -5.924 -0.619 2 H2 ASP 98 HT2 ASP 98 10.334 -6.325 -2.218 3 H3 ASP 98 HT3 ASP 98 9.618 -4.799 -1.891 4 HA ASP 98 HA ASP 98 12.248 -5.791 -1.031 5 HB2 ASP 98 HB2 ASP 98 11.349 -3.484 -2.776 6 HB3 ASP 98 HB1 ASP 98 13.020 -3.843 -2.349 7 H ARG 99 HN ARG 99 13.461 -3.554 -0.379 8 HA ARG 99 HA ARG 99 11.940 -2.574 1.920 9 HB2 ARG 99 HB2 ARG 99 14.035 -3.630 2.494 10 HB3 ARG 99 HB1 ARG 99 14.906 -2.602 1.370 11 HG2 ARG 99 HG2 ARG 99 15.272 -1.853 3.630 12 HG3 ARG 99 HG1 ARG 99 14.338 -0.645 2.748 13 HD2 ARG 99 HD2 ARG 99 13.149 -2.719 4.590 14 HD3 ARG 99 HD1 ARG 99 13.530 -1.061 5.067 15 HE ARG 99 HE ARG 99 11.221 -1.930 3.690 16 HH11 ARG 99 HH11 ARG 99 13.503 0.710 3.805 17 HH12 ARG 99 HH12 ARG 99 12.393 1.862 3.143 18 HH21 ARG 99 HH21 ARG 99 9.760 -0.413 2.827 19 HH22 ARG 99 HH22 ARG 99 10.267 1.226 2.591 20 H GLY 100 HN GLY 100 14.686 -0.950 0.494 21 HA2 GLY 100 HA2 GLY 100 14.154 0.908 -1.158 22 HA3 GLY 100 HA1 GLY 100 12.957 1.398 0.035 23 H TRP 101 HN TRP 101 16.331 0.339 0.260 24 HA TRP 101 HA TRP 101 16.987 2.093 2.355 25 HB2 TRP 101 HB2 TRP 101 18.829 0.724 0.393 26 HB3 TRP 101 HB1 TRP 101 19.286 1.385 1.962 27 HD1 TRP 101 HD1 TRP 101 17.796 0.140 4.073 28 HE1 TRP 101 HE1 TRP 101 17.336 -2.387 4.334 29 HE3 TRP 101 HE3 TRP 101 18.589 -1.237 -0.701 30 HZ2 TRP 101 HZ2 TRP 101 17.312 -4.675 2.655 31 HZ3 TRP 101 HZ3 TRP 101 18.337 -3.598 -1.349 32 HH2 TRP 101 HH2 TRP 101 17.716 -5.290 0.300 33 H GLY 102 HN GLY 102 19.154 2.313 -0.347 34 HA2 GLY 102 HA2 GLY 102 19.607 4.105 -1.787 35 HA3 GLY 102 HA1 GLY 102 18.286 5.006 -1.042 36 H ASN 103 HN ASN 103 19.080 4.537 1.631 37 HA ASN 103 HA ASN 103 20.902 6.662 2.040 38 HB2 ASN 103 HB2 ASN 103 20.684 6.018 4.439 39 HB3 ASN 103 HB1 ASN 103 19.146 6.280 3.634 40 HD21 ASN 103 HD21 ASN 103 20.192 3.331 2.500 41 HD22 ASN 103 HD22 ASN 103 19.426 2.314 3.653 42 H GLY 104 HN GLY 104 21.465 3.509 1.140 43 HA2 GLY 104 HA2 GLY 104 23.319 2.189 1.100 44 HA3 GLY 104 HA1 GLY 104 24.237 3.658 1.410 45 H CYS 105 HN CYS 105 21.805 2.153 3.464 46 HA CYS 105 HA CYS 105 23.862 1.816 5.538 47 HB2 CYS 105 HB2 CYS 105 22.080 3.390 6.147 48 HB3 CYS 105 HB1 CYS 105 20.866 2.156 5.827 49 HG CYS 105 HG CYS 105 21.119 1.876 8.281 50 H GLY 106 HN GLY 106 21.320 0.264 3.714 51 HA2 GLY 106 HA2 GLY 106 21.963 -2.273 5.090 52 HA3 GLY 106 HA1 GLY 106 20.386 -1.911 4.402 53 H LEU 107 HN LEU 107 21.763 -0.606 2.066 54 HA LEU 107 HA LEU 107 23.408 -2.337 0.685 55 HB2 LEU 107 HB2 LEU 107 21.678 -4.006 0.832 56 HB3 LEU 107 HB1 LEU 107 20.480 -2.879 0.242 57 HG LEU 107 HG LEU 107 21.537 -2.877 -1.959 58 HD11 LEU 107 HD11 LEU 107 23.284 -5.163 -1.261 59 HD12 LEU 107 HD12 LEU 107 23.825 -3.557 -0.774 60 HD13 LEU 107 HD13 LEU 107 23.500 -3.901 -2.472 61 HD21 LEU 107 HD21 LEU 107 19.952 -4.456 -2.134 62 HD22 LEU 107 HD22 LEU 107 20.473 -5.288 -0.669 63 HD23 LEU 107 HD23 LEU 107 21.324 -5.562 -2.189 64 H PHE 108 HN PHE 108 23.747 -1.701 -1.502 65 HA PHE 108 HA PHE 108 23.781 -0.283 -3.284 66 HB2 PHE 108 HB2 PHE 108 21.218 0.874 -2.173 67 HB3 PHE 108 HB1 PHE 108 21.871 1.144 -3.782 68 HD1 PHE 108 HD1 PHE 108 22.500 -1.239 -4.951 69 HD2 PHE 108 HD2 PHE 108 19.448 -0.490 -2.090 70 HE1 PHE 108 HE1 PHE 108 21.255 -3.191 -5.776 71 HE2 PHE 108 HE2 PHE 108 18.194 -2.440 -2.909 72 HZ PHE 108 HZ PHE 108 19.111 -3.777 -4.747 73 H GLY 109 HN GLY 109 25.231 0.281 -0.941 74 HA2 GLY 109 HA2 GLY 109 26.285 2.738 -1.375 75 HA3 GLY 109 HA1 GLY 109 24.923 3.086 -0.324 76 H LYS 110 HN LYS 110 25.174 0.593 1.188 77 HA LYS 110 HA LYS 110 26.823 1.469 3.250 78 HB2 LYS 110 HB2 LYS 110 26.573 -0.768 4.214 79 HB3 LYS 110 HB1 LYS 110 25.042 -0.148 3.613 80 HG2 LYS 110 HG2 LYS 110 25.242 -1.524 1.623 81 HG3 LYS 110 HG1 LYS 110 26.809 -2.118 2.179 82 HD2 LYS 110 HD2 LYS 110 25.750 -3.104 4.141 83 HD3 LYS 110 HD1 LYS 110 24.185 -2.481 3.620 84 HE2 LYS 110 HE2 LYS 110 24.423 -4.842 3.053 85 HE3 LYS 110 HE1 LYS 110 24.306 -3.850 1.601 86 HZ1 LYS 110 HZ1 LYS 110 26.235 -5.699 2.127 87 HZ2 LYS 110 HZ2 LYS 110 27.012 -4.231 2.450 88 HZ3 LYS 110 HZ3 LYS 110 26.310 -4.500 0.935 89 H GLY 111 HN GLY 111 27.621 -0.222 0.367 90 HA2 GLY 111 HA2 GLY 111 30.429 -0.254 1.200 91 HA3 GLY 111 HA1 GLY 111 29.721 -1.763 0.645 92 H GLY 112 HN GLY 112 28.461 -1.433 -1.536 93 HA2 GLY 112 HA2 GLY 112 30.113 0.269 -3.296 94 HA3 GLY 112 HA1 GLY 112 29.757 -1.401 -3.711 Start of MODEL 5 1 H1 ASP 98 HT1 ASP 98 12.937 -5.405 -3.623 2 H2 ASP 98 HT2 ASP 98 13.549 -6.094 -2.175 3 H3 ASP 98 HT3 ASP 98 13.684 -4.405 -2.449 4 HA ASP 98 HA ASP 98 11.205 -4.380 -2.565 5 HB2 ASP 98 HB2 ASP 98 11.683 -7.068 -1.253 6 HB3 ASP 98 HB1 ASP 98 10.125 -6.252 -1.360 7 H ARG 99 HN ARG 99 12.487 -2.677 -1.380 8 HA ARG 99 HA ARG 99 11.734 -2.720 1.378 9 HB2 ARG 99 HB2 ARG 99 13.828 -3.917 1.575 10 HB3 ARG 99 HB1 ARG 99 14.663 -2.679 0.652 11 HG2 ARG 99 HG2 ARG 99 15.163 -2.459 3.005 12 HG3 ARG 99 HG1 ARG 99 14.236 -1.065 2.450 13 HD2 ARG 99 HD2 ARG 99 13.041 -3.458 3.844 14 HD3 ARG 99 HD1 ARG 99 13.523 -1.970 4.667 15 HE ARG 99 HE ARG 99 11.117 -2.410 3.254 16 HH11 ARG 99 HH11 ARG 99 13.529 0.045 3.843 17 HH12 ARG 99 HH12 ARG 99 12.449 1.358 3.519 18 HH21 ARG 99 HH21 ARG 99 9.696 -0.683 2.835 19 HH22 ARG 99 HH22 ARG 99 10.273 0.946 2.950 20 H GLY 100 HN GLY 100 14.438 -0.895 0.113 21 HA2 GLY 100 HA2 GLY 100 13.952 1.274 -1.056 22 HA3 GLY 100 HA1 GLY 100 12.739 1.523 0.193 23 H TRP 101 HN TRP 101 16.150 0.538 0.113 24 HA TRP 101 HA TRP 101 16.787 1.752 2.579 25 HB2 TRP 101 HB2 TRP 101 18.640 0.929 0.343 26 HB3 TRP 101 HB1 TRP 101 19.092 1.204 2.024 27 HD1 TRP 101 HD1 TRP 101 17.605 -0.542 3.767 28 HE1 TRP 101 HE1 TRP 101 17.221 -3.071 3.415 29 HE3 TRP 101 HE3 TRP 101 18.498 -0.727 -1.183 30 HZ2 TRP 101 HZ2 TRP 101 17.290 -4.896 1.243 31 HZ3 TRP 101 HZ3 TRP 101 18.329 -2.873 -2.373 32 HH2 TRP 101 HH2 TRP 101 17.742 -4.924 -1.183 33 H GLY 102 HN GLY 102 18.938 2.649 0.012 34 HA2 GLY 102 HA2 GLY 102 19.331 4.736 -0.982 35 HA3 GLY 102 HA1 GLY 102 17.988 5.404 -0.053 36 H ASN 103 HN ASN 103 18.809 4.350 2.440 37 HA ASN 103 HA ASN 103 20.571 6.375 3.336 38 HB2 ASN 103 HB2 ASN 103 20.378 5.188 5.520 39 HB3 ASN 103 HB1 ASN 103 18.829 5.579 4.790 40 HD21 ASN 103 HD21 ASN 103 19.963 3.011 3.007 41 HD22 ASN 103 HD22 ASN 103 19.237 1.728 3.890 42 H GLY 104 HN GLY 104 21.220 3.535 1.731 43 HA2 GLY 104 HA2 GLY 104 23.108 2.308 1.398 44 HA3 GLY 104 HA1 GLY 104 23.989 3.690 2.038 45 H CYS 105 HN CYS 105 21.610 1.655 3.659 46 HA CYS 105 HA CYS 105 23.674 0.924 5.623 47 HB2 CYS 105 HB2 CYS 105 21.843 2.255 6.567 48 HB3 CYS 105 HB1 CYS 105 20.670 1.092 5.961 49 HG CYS 105 HG CYS 105 22.469 -0.396 7.765 50 H GLY 106 HN GLY 106 21.164 -0.242 3.489 51 HA2 GLY 106 HA2 GLY 106 21.900 -3.008 4.231 52 HA3 GLY 106 HA1 GLY 106 20.310 -2.546 3.639 53 H LEU 107 HN LEU 107 21.667 -0.680 1.693 54 HA LEU 107 HA LEU 107 23.349 -1.988 -0.052 55 HB2 LEU 107 HB2 LEU 107 21.665 -3.685 -0.329 56 HB3 LEU 107 HB1 LEU 107 20.436 -2.480 -0.632 57 HG LEU 107 HG LEU 107 21.481 -1.913 -2.762 58 HD11 LEU 107 HD11 LEU 107 23.794 -2.796 -1.760 59 HD12 LEU 107 HD12 LEU 107 23.481 -2.698 -3.491 60 HD13 LEU 107 HD13 LEU 107 23.308 -4.237 -2.649 61 HD21 LEU 107 HD21 LEU 107 20.489 -4.590 -2.099 62 HD22 LEU 107 HD22 LEU 107 21.369 -4.484 -3.623 63 HD23 LEU 107 HD23 LEU 107 19.963 -3.457 -3.343 64 H PHE 108 HN PHE 108 23.704 -0.817 -1.990 65 HA PHE 108 HA PHE 108 23.712 0.994 -3.373 66 HB2 PHE 108 HB2 PHE 108 21.086 1.754 -2.080 67 HB3 PHE 108 HB1 PHE 108 21.754 2.433 -3.557 68 HD1 PHE 108 HD1 PHE 108 22.485 0.456 -5.271 69 HD2 PHE 108 HD2 PHE 108 19.388 0.324 -2.366 70 HE1 PHE 108 HE1 PHE 108 21.338 -1.279 -6.582 71 HE2 PHE 108 HE2 PHE 108 18.232 -1.411 -3.670 72 HZ PHE 108 HZ PHE 108 19.219 -2.200 -5.768 73 H GLY 109 HN GLY 109 25.214 1.069 -1.086 74 HA2 GLY 109 HA2 GLY 109 26.151 3.559 -0.830 75 HA3 GLY 109 HA1 GLY 109 24.758 3.620 0.235 76 H LYS 110 HN LYS 110 25.059 0.834 1.105 77 HA LYS 110 HA LYS 110 26.621 1.232 3.374 78 HB2 LYS 110 HB2 LYS 110 26.423 -1.176 3.761 79 HB3 LYS 110 HB1 LYS 110 24.888 -0.480 3.263 80 HG2 LYS 110 HG2 LYS 110 25.200 -1.328 1.014 81 HG3 LYS 110 HG1 LYS 110 26.783 -1.971 1.460 82 HD2 LYS 110 HD2 LYS 110 25.736 -3.452 3.086 83 HD3 LYS 110 HD1 LYS 110 24.151 -2.791 2.682 84 HE2 LYS 110 HE2 LYS 110 24.523 -4.929 1.565 85 HE3 LYS 110 HE1 LYS 110 24.387 -3.618 0.395 86 HZ1 LYS 110 HZ1 LYS 110 27.073 -4.258 1.309 87 HZ2 LYS 110 HZ2 LYS 110 26.526 -3.839 -0.236 88 HZ3 LYS 110 HZ3 LYS 110 26.324 -5.419 0.332 89 H GLY 111 HN GLY 111 27.508 0.169 0.209 90 HA2 GLY 111 HA2 GLY 111 30.065 0.693 0.035 91 HA3 GLY 111 HA1 GLY 111 30.157 -0.677 1.132 92 H GLY 112 HN GLY 112 29.910 0.332 -2.114 93 HA2 GLY 112 HA2 GLY 112 29.775 -2.494 -2.948 94 HA3 GLY 112 HA1 GLY 112 28.835 -1.268 -3.784 Start of MODEL 6 1 H1 ASP 98 HT1 ASP 98 10.428 -4.300 -0.422 2 H2 ASP 98 HT2 ASP 98 11.143 -5.859 -0.466 3 H3 ASP 98 HT3 ASP 98 12.123 -4.470 -0.236 4 HA ASP 98 HA ASP 98 10.051 -5.457 1.607 5 HB2 ASP 98 HB2 ASP 98 13.077 -5.530 1.738 6 HB3 ASP 98 HB1 ASP 98 11.991 -6.048 3.023 7 H ARG 99 HN ARG 99 13.014 -3.468 1.526 8 HA ARG 99 HA ARG 99 11.685 -1.553 3.298 9 HB2 ARG 99 HB2 ARG 99 13.747 -2.436 4.194 10 HB3 ARG 99 HB1 ARG 99 14.611 -2.013 2.725 11 HG2 ARG 99 HG2 ARG 99 15.140 -0.445 4.476 12 HG3 ARG 99 HG1 ARG 99 14.227 0.367 3.205 13 HD2 ARG 99 HD2 ARG 99 13.027 -0.695 5.762 14 HD3 ARG 99 HD1 ARG 99 13.526 0.982 5.514 15 HE ARG 99 HE ARG 99 11.101 -0.196 4.672 16 HH11 ARG 99 HH11 ARG 99 13.529 2.094 3.647 17 HH12 ARG 99 HH12 ARG 99 12.449 2.960 2.605 18 HH21 ARG 99 HH21 ARG 99 9.681 0.945 3.307 19 HH22 ARG 99 HH22 ARG 99 10.266 2.310 2.414 20 H GLY 100 HN GLY 100 14.430 -0.852 1.254 21 HA2 GLY 100 HA2 GLY 100 13.922 0.219 -0.990 22 HA3 GLY 100 HA1 GLY 100 12.804 1.225 -0.078 23 H TRP 101 HN TRP 101 16.137 0.137 0.459 24 HA TRP 101 HA TRP 101 16.972 2.537 1.663 25 HB2 TRP 101 HB2 TRP 101 18.652 0.391 0.366 26 HB3 TRP 101 HB1 TRP 101 19.214 1.592 1.527 27 HD1 TRP 101 HD1 TRP 101 17.763 1.384 3.996 28 HE1 TRP 101 HE1 TRP 101 17.206 -0.797 5.259 29 HE3 TRP 101 HE3 TRP 101 18.284 -1.827 0.156 30 HZ2 TRP 101 HZ2 TRP 101 17.007 -3.559 4.638 31 HZ3 TRP 101 HZ3 TRP 101 17.900 -4.231 0.515 32 HH2 TRP 101 HH2 TRP 101 17.281 -5.085 2.718 33 H GLY 102 HN GLY 102 19.015 1.529 -0.954 34 HA2 GLY 102 HA2 GLY 102 19.479 2.566 -3.004 35 HA3 GLY 102 HA1 GLY 102 18.238 3.769 -2.648 36 H ASN 103 HN ASN 103 19.142 4.352 -0.034 37 HA ASN 103 HA ASN 103 21.079 6.350 -0.558 38 HB2 ASN 103 HB2 ASN 103 20.936 6.738 1.900 39 HB3 ASN 103 HB1 ASN 103 19.376 6.742 1.094 40 HD21 ASN 103 HD21 ASN 103 20.241 3.531 1.219 41 HD22 ASN 103 HD22 ASN 103 19.485 3.107 2.702 42 H GLY 104 HN GLY 104 21.453 3.074 -0.133 43 HA2 GLY 104 HA2 GLY 104 23.234 1.735 0.334 44 HA3 GLY 104 HA1 GLY 104 24.237 3.144 0.009 45 H CYS 105 HN CYS 105 21.825 2.662 2.537 46 HA CYS 105 HA CYS 105 23.937 3.099 4.539 47 HB2 CYS 105 HB2 CYS 105 22.254 4.881 4.497 48 HB3 CYS 105 HB1 CYS 105 20.974 3.693 4.715 49 HG CYS 105 HG CYS 105 22.929 3.619 7.017 50 H GLY 106 HN GLY 106 21.240 1.107 3.547 51 HA2 GLY 106 HA2 GLY 106 21.834 -0.711 5.802 52 HA3 GLY 106 HA1 GLY 106 20.246 -0.562 5.060 53 H LEU 107 HN LEU 107 21.605 -0.360 2.376 54 HA LEU 107 HA LEU 107 23.105 -2.580 1.752 55 HB2 LEU 107 HB2 LEU 107 21.327 -3.972 2.575 56 HB3 LEU 107 HB1 LEU 107 20.143 -3.097 1.635 57 HG LEU 107 HG LEU 107 21.081 -3.996 -0.430 58 HD11 LEU 107 HD11 LEU 107 23.403 -4.286 0.866 59 HD12 LEU 107 HD12 LEU 107 22.993 -5.205 -0.582 60 HD13 LEU 107 HD13 LEU 107 22.788 -5.933 1.012 61 HD21 LEU 107 HD21 LEU 107 19.431 -5.432 0.098 62 HD22 LEU 107 HD22 LEU 107 20.035 -5.689 1.735 63 HD23 LEU 107 HD23 LEU 107 20.768 -6.546 0.379 64 H PHE 108 HN PHE 108 23.427 -2.832 -0.498 65 HA PHE 108 HA PHE 108 23.456 -2.226 -2.694 66 HB2 PHE 108 HB2 PHE 108 20.939 -0.659 -2.099 67 HB3 PHE 108 HB1 PHE 108 21.566 -1.054 -3.691 68 HD1 PHE 108 HD1 PHE 108 22.101 -3.706 -3.884 69 HD2 PHE 108 HD2 PHE 108 19.168 -1.853 -1.431 70 HE1 PHE 108 HE1 PHE 108 20.805 -5.793 -3.868 71 HE2 PHE 108 HE2 PHE 108 17.862 -3.936 -1.410 72 HZ PHE 108 HZ PHE 108 18.693 -5.892 -2.628 73 H GLY 109 HN GLY 109 25.099 -0.911 -0.975 74 HA2 GLY 109 HA2 GLY 109 26.160 1.163 -2.268 75 HA3 GLY 109 HA1 GLY 109 24.830 1.951 -1.438 76 H LYS 110 HN LYS 110 25.072 0.168 0.910 77 HA LYS 110 HA LYS 110 26.735 1.751 2.488 78 HB2 LYS 110 HB2 LYS 110 26.472 0.038 4.219 79 HB3 LYS 110 HB1 LYS 110 24.943 0.406 3.436 80 HG2 LYS 110 HG2 LYS 110 25.136 -1.616 2.087 81 HG3 LYS 110 HG1 LYS 110 26.683 -1.982 2.856 82 HD2 LYS 110 HD2 LYS 110 25.576 -2.135 5.026 83 HD3 LYS 110 HD1 LYS 110 24.031 -1.743 4.271 84 HE2 LYS 110 HE2 LYS 110 24.238 -4.144 4.647 85 HE3 LYS 110 HE1 LYS 110 24.168 -3.776 2.924 86 HZ1 LYS 110 HZ1 LYS 110 26.429 -4.211 2.666 87 HZ2 LYS 110 HZ2 LYS 110 25.901 -5.443 3.698 88 HZ3 LYS 110 HZ3 LYS 110 26.748 -4.120 4.325 89 H GLY 111 HN GLY 111 27.504 -0.892 0.434 90 HA2 GLY 111 HA2 GLY 111 30.122 -1.267 1.702 91 HA3 GLY 111 HA1 GLY 111 29.418 -2.301 0.470 92 H GLY 112 HN GLY 112 29.403 1.173 0.153 93 HA2 GLY 112 HA2 GLY 112 31.030 2.506 -0.979 94 HA3 GLY 112 HA1 GLY 112 31.681 1.041 -1.699 Start of MODEL 7 1 H1 ASP 98 HT1 ASP 98 11.088 -3.529 -4.738 2 H2 ASP 98 HT2 ASP 98 12.327 -2.686 -3.901 3 H3 ASP 98 HT3 ASP 98 10.698 -2.567 -3.373 4 HA ASP 98 HA ASP 98 10.792 -5.038 -3.071 5 HB2 ASP 98 HB2 ASP 98 13.739 -4.351 -3.211 6 HB3 ASP 98 HB1 ASP 98 13.081 -5.897 -2.683 7 H ARG 99 HN ARG 99 13.423 -3.023 -1.754 8 HA ARG 99 HA ARG 99 12.132 -3.228 0.875 9 HB2 ARG 99 HB2 ARG 99 14.298 -4.302 0.836 10 HB3 ARG 99 HB1 ARG 99 15.040 -2.860 0.165 11 HG2 ARG 99 HG2 ARG 99 15.567 -3.055 2.510 12 HG3 ARG 99 HG1 ARG 99 14.539 -1.650 2.242 13 HD2 ARG 99 HD2 ARG 99 13.546 -4.344 3.170 14 HD3 ARG 99 HD1 ARG 99 13.929 -2.999 4.248 15 HE ARG 99 HE ARG 99 11.537 -3.359 2.787 16 HH11 ARG 99 HH11 ARG 99 13.766 -0.875 3.814 17 HH12 ARG 99 HH12 ARG 99 12.583 0.388 3.744 18 HH21 ARG 99 HH21 ARG 99 9.983 -1.700 2.701 19 HH22 ARG 99 HH22 ARG 99 10.436 -0.080 3.116 20 H GLY 100 HN GLY 100 14.699 -1.018 0.011 21 HA2 GLY 100 HA2 GLY 100 14.019 1.302 -0.723 22 HA3 GLY 100 HA1 GLY 100 12.857 1.218 0.595 23 H TRP 101 HN TRP 101 16.305 0.451 0.232 24 HA TRP 101 HA TRP 101 16.976 1.245 2.855 25 HB2 TRP 101 HB2 TRP 101 18.783 0.921 0.458 26 HB3 TRP 101 HB1 TRP 101 19.283 0.922 2.147 27 HD1 TRP 101 HD1 TRP 101 17.943 -1.173 3.599 28 HE1 TRP 101 HE1 TRP 101 17.661 -3.619 2.819 29 HE3 TRP 101 HE3 TRP 101 18.657 -0.449 -1.331 30 HZ2 TRP 101 HZ2 TRP 101 17.731 -5.032 0.359 31 HZ3 TRP 101 HZ3 TRP 101 18.541 -2.362 -2.875 32 HH2 TRP 101 HH2 TRP 101 18.093 -4.615 -2.045 33 H GLY 102 HN GLY 102 18.983 2.686 0.420 34 HA2 GLY 102 HA2 GLY 102 19.259 4.930 -0.193 35 HA3 GLY 102 HA1 GLY 102 17.916 5.359 0.867 36 H ASN 103 HN ASN 103 18.845 3.945 3.126 37 HA ASN 103 HA ASN 103 20.539 5.864 4.322 38 HB2 ASN 103 HB2 ASN 103 20.485 4.297 6.263 39 HB3 ASN 103 HB1 ASN 103 18.896 4.737 5.660 40 HD21 ASN 103 HD21 ASN 103 20.070 2.582 3.415 41 HD22 ASN 103 HD22 ASN 103 19.431 1.129 4.076 42 H GLY 104 HN GLY 104 21.275 3.375 2.233 43 HA2 GLY 104 HA2 GLY 104 23.217 2.352 1.632 44 HA3 GLY 104 HA1 GLY 104 24.042 3.648 2.490 45 H CYS 105 HN CYS 105 21.820 1.309 3.878 46 HA CYS 105 HA CYS 105 24.012 0.324 5.570 47 HB2 CYS 105 HB2 CYS 105 22.177 1.385 6.804 48 HB3 CYS 105 HB1 CYS 105 21.023 0.289 6.052 49 HG CYS 105 HG CYS 105 22.227 -1.669 7.394 50 H GLY 106 HN GLY 106 21.502 -0.572 3.322 51 HA2 GLY 106 HA2 GLY 106 22.359 -3.391 3.577 52 HA3 GLY 106 HA1 GLY 106 20.732 -2.910 3.120 53 H LEU 107 HN LEU 107 21.931 -0.691 1.462 54 HA LEU 107 HA LEU 107 23.599 -1.623 -0.526 55 HB2 LEU 107 HB2 LEU 107 21.965 -3.328 -1.011 56 HB3 LEU 107 HB1 LEU 107 20.687 -2.140 -1.092 57 HG LEU 107 HG LEU 107 21.658 -1.207 -3.132 58 HD11 LEU 107 HD11 LEU 107 23.702 -1.694 -3.906 59 HD12 LEU 107 HD12 LEU 107 23.509 -3.420 -3.597 60 HD13 LEU 107 HD13 LEU 107 24.004 -2.341 -2.294 61 HD21 LEU 107 HD21 LEU 107 20.354 -3.648 -2.851 62 HD22 LEU 107 HD22 LEU 107 21.646 -3.954 -4.012 63 HD23 LEU 107 HD23 LEU 107 20.476 -2.670 -4.312 64 H PHE 108 HN PHE 108 23.781 -0.162 -2.307 65 HA PHE 108 HA PHE 108 23.655 1.844 -3.378 66 HB2 PHE 108 HB2 PHE 108 21.100 2.296 -1.828 67 HB3 PHE 108 HB1 PHE 108 21.653 3.224 -3.212 68 HD1 PHE 108 HD1 PHE 108 22.347 1.534 -5.247 69 HD2 PHE 108 HD2 PHE 108 19.397 0.909 -2.253 70 HE1 PHE 108 HE1 PHE 108 21.160 -0.008 -6.747 71 HE2 PHE 108 HE2 PHE 108 18.202 -0.637 -3.746 72 HZ PHE 108 HZ PHE 108 19.096 -1.085 -5.982 73 H GLY 109 HN GLY 109 25.128 1.493 -0.957 74 HA2 GLY 109 HA2 GLY 109 26.053 4.009 -0.444 75 HA3 GLY 109 HA1 GLY 109 24.738 3.810 0.699 76 H LYS 110 HN LYS 110 25.161 0.989 1.165 77 HA LYS 110 HA LYS 110 26.918 1.097 3.310 78 HB2 LYS 110 HB2 LYS 110 26.804 -1.347 3.360 79 HB3 LYS 110 HB1 LYS 110 25.218 -0.636 3.107 80 HG2 LYS 110 HG2 LYS 110 25.332 -1.151 0.743 81 HG3 LYS 110 HG1 LYS 110 26.960 -1.803 0.947 82 HD2 LYS 110 HD2 LYS 110 26.097 -3.529 2.432 83 HD3 LYS 110 HD1 LYS 110 24.470 -2.865 2.280 84 HE2 LYS 110 HE2 LYS 110 24.759 -4.810 0.837 85 HE3 LYS 110 HE1 LYS 110 24.494 -3.351 -0.116 86 HZ1 LYS 110 HZ1 LYS 110 26.392 -3.719 -1.165 87 HZ2 LYS 110 HZ2 LYS 110 26.620 -5.144 -0.284 88 HZ3 LYS 110 HZ3 LYS 110 27.254 -3.685 0.291 89 H GLY 111 HN GLY 111 27.575 0.635 -0.037 90 HA2 GLY 111 HA2 GLY 111 30.200 1.191 -0.094 91 HA3 GLY 111 HA1 GLY 111 30.210 -0.495 0.402 92 H GLY 112 HN GLY 112 29.499 -2.096 -1.056 93 HA2 GLY 112 HA2 GLY 112 29.863 -1.326 -3.838 94 HA3 GLY 112 HA1 GLY 112 29.795 -2.966 -3.209 Start of MODEL 8 1 H1 ASP 98 HT1 ASP 98 11.759 -3.794 -4.446 2 H2 ASP 98 HT2 ASP 98 12.957 -4.086 -3.252 3 H3 ASP 98 HT3 ASP 98 12.189 -2.554 -3.345 4 HA ASP 98 HA ASP 98 10.060 -3.786 -2.944 5 HB2 ASP 98 HB2 ASP 98 12.100 -5.835 -2.043 6 HB3 ASP 98 HB1 ASP 98 10.368 -5.923 -1.737 7 H ARG 99 HN ARG 99 13.113 -3.929 -1.111 8 HA ARG 99 HA ARG 99 11.940 -3.268 1.370 9 HB2 ARG 99 HB2 ARG 99 14.064 -4.417 1.280 10 HB3 ARG 99 HB1 ARG 99 14.798 -3.073 0.424 11 HG2 ARG 99 HG2 ARG 99 15.489 -3.073 2.736 12 HG3 ARG 99 HG1 ARG 99 14.494 -1.657 2.406 13 HD2 ARG 99 HD2 ARG 99 13.472 -4.208 3.652 14 HD3 ARG 99 HD1 ARG 99 13.985 -2.788 4.570 15 HE ARG 99 HE ARG 99 11.481 -3.171 3.319 16 HH11 ARG 99 HH11 ARG 99 13.873 -0.708 3.953 17 HH12 ARG 99 HH12 ARG 99 12.739 0.595 3.848 18 HH21 ARG 99 HH21 ARG 99 9.988 -1.458 3.189 19 HH22 ARG 99 HH22 ARG 99 10.534 0.170 3.418 20 H GLY 100 HN GLY 100 14.503 -1.235 0.135 21 HA2 GLY 100 HA2 GLY 100 13.921 1.030 -0.751 22 HA3 GLY 100 HA1 GLY 100 12.738 1.103 0.549 23 H TRP 101 HN TRP 101 16.195 0.355 0.190 24 HA TRP 101 HA TRP 101 16.876 1.261 2.782 25 HB2 TRP 101 HB2 TRP 101 18.670 0.843 0.392 26 HB3 TRP 101 HB1 TRP 101 19.176 0.921 2.078 27 HD1 TRP 101 HD1 TRP 101 17.826 -1.117 3.617 28 HE1 TRP 101 HE1 TRP 101 17.574 -3.597 2.945 29 HE3 TRP 101 HE3 TRP 101 18.595 -0.609 -1.331 30 HZ2 TRP 101 HZ2 TRP 101 17.686 -5.118 0.553 31 HZ3 TRP 101 HZ3 TRP 101 18.515 -2.591 -2.788 32 HH2 TRP 101 HH2 TRP 101 18.075 -4.808 -1.863 33 H GLY 102 HN GLY 102 18.866 2.606 0.284 34 HA2 GLY 102 HA2 GLY 102 19.100 4.821 -0.445 35 HA3 GLY 102 HA1 GLY 102 17.758 5.283 0.601 36 H ASN 103 HN ASN 103 18.734 3.973 2.911 37 HA ASN 103 HA ASN 103 20.405 5.975 4.009 38 HB2 ASN 103 HB2 ASN 103 20.370 4.507 6.024 39 HB3 ASN 103 HB1 ASN 103 18.772 4.885 5.399 40 HD21 ASN 103 HD21 ASN 103 19.988 2.649 3.261 41 HD22 ASN 103 HD22 ASN 103 19.381 1.217 3.991 42 H GLY 104 HN GLY 104 21.160 3.410 2.029 43 HA2 GLY 104 HA2 GLY 104 23.103 2.361 1.479 44 HA3 GLY 104 HA1 GLY 104 23.924 3.703 2.266 45 H CYS 105 HN CYS 105 21.738 1.323 3.676 46 HA CYS 105 HA CYS 105 23.917 0.483 5.465 47 HB2 CYS 105 HB2 CYS 105 22.046 1.560 6.632 48 HB3 CYS 105 HB1 CYS 105 20.923 0.411 5.913 49 HG CYS 105 HG CYS 105 23.117 -0.615 7.856 50 H GLY 106 HN GLY 106 21.402 -0.560 3.275 51 HA2 GLY 106 HA2 GLY 106 22.333 -3.345 3.626 52 HA3 GLY 106 HA1 GLY 106 20.695 -2.916 3.149 53 H LEU 107 HN LEU 107 21.858 -0.730 1.423 54 HA LEU 107 HA LEU 107 23.549 -1.688 -0.529 55 HB2 LEU 107 HB2 LEU 107 21.969 -3.445 -0.977 56 HB3 LEU 107 HB1 LEU 107 20.653 -2.299 -1.075 57 HG LEU 107 HG LEU 107 21.564 -1.388 -3.145 58 HD11 LEU 107 HD11 LEU 107 23.546 -3.563 -3.421 59 HD12 LEU 107 HD12 LEU 107 23.973 -2.238 -2.339 60 HD13 LEU 107 HD13 LEU 107 23.586 -1.907 -4.027 61 HD21 LEU 107 HD21 LEU 107 20.296 -3.791 -2.826 62 HD22 LEU 107 HD22 LEU 107 21.671 -4.219 -3.844 63 HD23 LEU 107 HD23 LEU 107 20.548 -2.961 -4.361 64 H PHE 108 HN PHE 108 23.768 -0.253 -2.295 65 HA PHE 108 HA PHE 108 23.611 1.715 -3.433 66 HB2 PHE 108 HB2 PHE 108 20.991 2.128 -1.981 67 HB3 PHE 108 HB1 PHE 108 21.563 3.033 -3.375 68 HD1 PHE 108 HD1 PHE 108 22.354 1.342 -5.350 69 HD2 PHE 108 HD2 PHE 108 19.376 0.638 -2.402 70 HE1 PHE 108 HE1 PHE 108 21.272 -0.284 -6.842 71 HE2 PHE 108 HE2 PHE 108 18.285 -0.991 -3.888 72 HZ PHE 108 HZ PHE 108 19.245 -1.439 -6.096 73 H GLY 109 HN GLY 109 25.197 1.603 -1.213 74 HA2 GLY 109 HA2 GLY 109 25.982 4.093 -0.655 75 HA3 GLY 109 HA1 GLY 109 24.627 3.922 0.449 76 H LYS 110 HN LYS 110 25.136 1.074 0.936 77 HA LYS 110 HA LYS 110 26.746 1.276 3.194 78 HB2 LYS 110 HB2 LYS 110 26.724 -1.171 3.256 79 HB3 LYS 110 HB1 LYS 110 25.129 -0.523 2.899 80 HG2 LYS 110 HG2 LYS 110 25.422 -1.038 0.546 81 HG3 LYS 110 HG1 LYS 110 27.053 -1.634 0.866 82 HD2 LYS 110 HD2 LYS 110 26.145 -3.380 2.303 83 HD3 LYS 110 HD1 LYS 110 24.512 -2.773 2.024 84 HE2 LYS 110 HE2 LYS 110 24.976 -4.716 0.624 85 HE3 LYS 110 HE1 LYS 110 24.731 -3.273 -0.358 86 HZ1 LYS 110 HZ1 LYS 110 27.016 -3.105 -0.788 87 HZ2 LYS 110 HZ2 LYS 110 26.659 -4.746 -0.985 88 HZ3 LYS 110 HZ3 LYS 110 27.427 -4.212 0.424 89 H GLY 111 HN GLY 111 27.610 0.776 -0.105 90 HA2 GLY 111 HA2 GLY 111 30.156 1.474 -0.158 91 HA3 GLY 111 HA1 GLY 111 30.305 -0.109 0.590 92 H GLY 112 HN GLY 112 31.044 -1.510 -0.859 93 HA2 GLY 112 HA2 GLY 112 30.151 -1.256 -3.650 94 HA3 GLY 112 HA1 GLY 112 31.588 -2.112 -3.113 Start of MODEL 9 1 H1 ASP 98 HT1 ASP 98 8.689 -4.782 0.647 2 H2 ASP 98 HT2 ASP 98 9.186 -5.510 2.120 3 H3 ASP 98 HT3 ASP 98 9.329 -6.372 0.642 4 HA ASP 98 HA ASP 98 11.436 -5.568 1.352 5 HB2 ASP 98 HB2 ASP 98 10.278 -4.113 -1.039 6 HB3 ASP 98 HB1 ASP 98 11.995 -4.367 -0.738 7 H ARG 99 HN ARG 99 12.857 -3.715 1.620 8 HA ARG 99 HA ARG 99 11.584 -1.650 3.177 9 HB2 ARG 99 HB2 ARG 99 13.613 -2.638 4.038 10 HB3 ARG 99 HB1 ARG 99 14.486 -2.214 2.575 11 HG2 ARG 99 HG2 ARG 99 15.082 -0.714 4.366 12 HG3 ARG 99 HG1 ARG 99 14.205 0.166 3.115 13 HD2 ARG 99 HD2 ARG 99 12.958 -0.907 5.644 14 HD3 ARG 99 HD1 ARG 99 13.530 0.752 5.441 15 HE ARG 99 HE ARG 99 11.058 -0.295 4.566 16 HH11 ARG 99 HH11 ARG 99 13.586 1.914 3.605 17 HH12 ARG 99 HH12 ARG 99 12.548 2.851 2.585 18 HH21 ARG 99 HH21 ARG 99 9.694 0.943 3.230 19 HH22 ARG 99 HH22 ARG 99 10.339 2.303 2.375 20 H GLY 100 HN GLY 100 14.349 -0.996 1.142 21 HA2 GLY 100 HA2 GLY 100 13.938 0.149 -1.063 22 HA3 GLY 100 HA1 GLY 100 12.768 1.124 -0.182 23 H TRP 101 HN TRP 101 16.118 0.080 0.360 24 HA TRP 101 HA TRP 101 16.877 2.429 1.713 25 HB2 TRP 101 HB2 TRP 101 18.627 0.399 0.323 26 HB3 TRP 101 HB1 TRP 101 19.142 1.547 1.557 27 HD1 TRP 101 HD1 TRP 101 17.651 1.170 3.984 28 HE1 TRP 101 HE1 TRP 101 17.134 -1.090 5.119 29 HE3 TRP 101 HE3 TRP 101 18.337 -1.818 -0.008 30 HZ2 TRP 101 HZ2 TRP 101 17.029 -3.819 4.351 31 HZ3 TRP 101 HZ3 TRP 101 18.019 -4.247 0.219 32 HH2 TRP 101 HH2 TRP 101 17.383 -5.233 2.361 33 H GLY 102 HN GLY 102 18.970 1.612 -0.933 34 HA2 GLY 102 HA2 GLY 102 19.426 2.771 -2.920 35 HA3 GLY 102 HA1 GLY 102 18.155 3.923 -2.510 36 H ASN 103 HN ASN 103 19.021 4.392 0.137 37 HA ASN 103 HA ASN 103 20.915 6.457 -0.262 38 HB2 ASN 103 HB2 ASN 103 20.743 6.712 2.210 39 HB3 ASN 103 HB1 ASN 103 19.187 6.713 1.395 40 HD21 ASN 103 HD21 ASN 103 20.140 3.527 1.352 41 HD22 ASN 103 HD22 ASN 103 19.394 3.002 2.808 42 H GLY 104 HN GLY 104 21.364 3.173 -0.010 43 HA2 GLY 104 HA2 GLY 104 23.170 1.852 0.404 44 HA3 GLY 104 HA1 GLY 104 24.146 3.297 0.163 45 H CYS 105 HN CYS 105 21.725 2.594 2.634 46 HA CYS 105 HA CYS 105 23.801 2.995 4.682 47 HB2 CYS 105 HB2 CYS 105 22.062 4.724 4.718 48 HB3 CYS 105 HB1 CYS 105 20.818 3.486 4.853 49 HG CYS 105 HG CYS 105 21.850 2.931 7.251 50 H GLY 106 HN GLY 106 21.168 0.981 3.558 51 HA2 GLY 106 HA2 GLY 106 21.803 -0.942 5.713 52 HA3 GLY 106 HA1 GLY 106 20.216 -0.798 4.969 53 H LEU 107 HN LEU 107 21.578 -0.407 2.310 54 HA LEU 107 HA LEU 107 23.152 -2.541 1.576 55 HB2 LEU 107 HB2 LEU 107 21.419 -4.033 2.307 56 HB3 LEU 107 HB1 LEU 107 20.209 -3.144 1.413 57 HG LEU 107 HG LEU 107 21.178 -3.893 -0.695 58 HD11 LEU 107 HD11 LEU 107 23.136 -5.009 -0.912 59 HD12 LEU 107 HD12 LEU 107 22.948 -5.857 0.622 60 HD13 LEU 107 HD13 LEU 107 23.507 -4.185 0.601 61 HD21 LEU 107 HD21 LEU 107 19.572 -5.407 -0.239 62 HD22 LEU 107 HD22 LEU 107 20.204 -5.753 1.370 63 HD23 LEU 107 HD23 LEU 107 20.949 -6.492 -0.046 64 H PHE 108 HN PHE 108 23.502 -2.651 -0.679 65 HA PHE 108 HA PHE 108 23.527 -1.923 -2.838 66 HB2 PHE 108 HB2 PHE 108 20.950 -0.485 -2.183 67 HB3 PHE 108 HB1 PHE 108 21.603 -0.769 -3.788 68 HD1 PHE 108 HD1 PHE 108 22.230 -3.381 -4.132 69 HD2 PHE 108 HD2 PHE 108 19.226 -1.781 -1.587 70 HE1 PHE 108 HE1 PHE 108 21.011 -5.511 -4.243 71 HE2 PHE 108 HE2 PHE 108 17.996 -3.909 -1.694 72 HZ PHE 108 HZ PHE 108 18.902 -5.759 -3.021 73 H GLY 109 HN GLY 109 25.139 -0.661 -1.089 74 HA2 GLY 109 HA2 GLY 109 26.123 1.522 -2.230 75 HA3 GLY 109 HA1 GLY 109 24.758 2.218 -1.373 76 H LYS 110 HN LYS 110 25.060 0.285 0.862 77 HA LYS 110 HA LYS 110 26.635 1.842 2.558 78 HB2 LYS 110 HB2 LYS 110 26.428 0.012 4.175 79 HB3 LYS 110 HB1 LYS 110 24.892 0.369 3.398 80 HG2 LYS 110 HG2 LYS 110 25.183 -1.552 1.924 81 HG3 LYS 110 HG1 LYS 110 26.731 -1.908 2.693 82 HD2 LYS 110 HD2 LYS 110 25.598 -2.240 4.830 83 HD3 LYS 110 HD1 LYS 110 24.050 -1.860 4.074 84 HE2 LYS 110 HE2 LYS 110 24.347 -4.271 4.300 85 HE3 LYS 110 HE1 LYS 110 24.289 -3.798 2.604 86 HZ1 LYS 110 HZ1 LYS 110 26.746 -4.399 4.161 87 HZ2 LYS 110 HZ2 LYS 110 26.713 -3.907 2.544 88 HZ3 LYS 110 HZ3 LYS 110 26.043 -5.395 2.988 89 H GLY 111 HN GLY 111 27.539 -0.621 0.344 90 HA2 GLY 111 HA2 GLY 111 30.018 -1.316 1.622 91 HA3 GLY 111 HA1 GLY 111 29.521 -1.764 -0.002 92 H GLY 112 HN GLY 112 30.123 -0.499 -1.741 93 HA2 GLY 112 HA2 GLY 112 31.060 1.392 -2.792 94 HA3 GLY 112 HA1 GLY 112 31.596 1.971 -1.223 Start of MODEL 10 1 H1 ASP 98 HT1 ASP 98 11.013 -2.915 -5.165 2 H2 ASP 98 HT2 ASP 98 11.464 -1.941 -3.826 3 H3 ASP 98 HT3 ASP 98 10.193 -3.084 -3.670 4 HA ASP 98 HA ASP 98 11.723 -4.866 -4.029 5 HB2 ASP 98 HB2 ASP 98 13.764 -2.628 -4.090 6 HB3 ASP 98 HB1 ASP 98 14.142 -4.348 -4.085 7 H ARG 99 HN ARG 99 12.893 -2.016 -2.224 8 HA ARG 99 HA ARG 99 12.182 -3.279 0.278 9 HB2 ARG 99 HB2 ARG 99 14.384 -4.206 -0.089 10 HB3 ARG 99 HB1 ARG 99 15.042 -2.611 -0.414 11 HG2 ARG 99 HG2 ARG 99 15.674 -3.340 1.796 12 HG3 ARG 99 HG1 ARG 99 14.579 -1.964 1.911 13 HD2 ARG 99 HD2 ARG 99 13.731 -4.846 2.180 14 HD3 ARG 99 HD1 ARG 99 14.110 -3.789 3.545 15 HE ARG 99 HE ARG 99 11.673 -3.894 2.121 16 HH11 ARG 99 HH11 ARG 99 13.851 -1.631 3.648 17 HH12 ARG 99 HH12 ARG 99 12.620 -0.446 3.928 18 HH21 ARG 99 HH21 ARG 99 10.055 -2.338 2.495 19 HH22 ARG 99 HH22 ARG 99 10.465 -0.847 3.276 20 H GLY 100 HN GLY 100 14.620 -0.805 -0.114 21 HA2 GLY 100 HA2 GLY 100 13.804 1.589 -0.240 22 HA3 GLY 100 HA1 GLY 100 12.732 1.131 1.076 23 H TRP 101 HN TRP 101 16.170 0.601 0.383 24 HA TRP 101 HA TRP 101 16.972 0.795 3.075 25 HB2 TRP 101 HB2 TRP 101 18.640 1.121 0.581 26 HB3 TRP 101 HB1 TRP 101 19.242 0.747 2.195 27 HD1 TRP 101 HD1 TRP 101 18.076 -1.691 3.176 28 HE1 TRP 101 HE1 TRP 101 17.817 -3.893 1.853 29 HE3 TRP 101 HE3 TRP 101 18.417 0.212 -1.471 30 HZ2 TRP 101 HZ2 TRP 101 17.754 -4.679 -0.874 31 HZ3 TRP 101 HZ3 TRP 101 18.250 -1.285 -3.418 32 HH2 TRP 101 HH2 TRP 101 17.933 -3.689 -3.126 33 H GLY 102 HN GLY 102 18.792 2.851 0.958 34 HA2 GLY 102 HA2 GLY 102 18.955 5.188 0.875 35 HA3 GLY 102 HA1 GLY 102 17.675 5.295 2.086 36 H ASN 103 HN ASN 103 18.796 3.428 3.881 37 HA ASN 103 HA ASN 103 20.516 5.081 5.396 38 HB2 ASN 103 HB2 ASN 103 20.627 3.103 6.913 39 HB3 ASN 103 HB1 ASN 103 18.992 3.608 6.524 40 HD21 ASN 103 HD21 ASN 103 20.067 2.087 3.769 41 HD22 ASN 103 HD22 ASN 103 19.510 0.496 4.104 42 H GLY 104 HN GLY 104 21.171 3.185 2.737 43 HA2 GLY 104 HA2 GLY 104 23.091 2.401 1.799 44 HA3 GLY 104 HA1 GLY 104 23.940 3.491 2.886 45 H CYS 105 HN CYS 105 21.872 0.800 3.797 46 HA CYS 105 HA CYS 105 24.190 -0.461 5.090 47 HB2 CYS 105 HB2 CYS 105 22.405 0.202 6.637 48 HB3 CYS 105 HB1 CYS 105 21.240 -0.738 5.711 49 HG CYS 105 HG CYS 105 22.184 -2.006 7.887 50 H GLY 106 HN GLY 106 21.554 -0.914 2.851 51 HA2 GLY 106 HA2 GLY 106 22.510 -3.672 2.371 52 HA3 GLY 106 HA1 GLY 106 20.843 -3.164 2.134 53 H LEU 107 HN LEU 107 21.877 -0.567 0.995 54 HA LEU 107 HA LEU 107 23.439 -0.932 -1.251 55 HB2 LEU 107 HB2 LEU 107 21.810 -2.532 -2.035 56 HB3 LEU 107 HB1 LEU 107 20.508 -1.400 -1.762 57 HG LEU 107 HG LEU 107 21.338 0.019 -3.571 58 HD11 LEU 107 HD11 LEU 107 23.253 -2.070 -4.454 59 HD12 LEU 107 HD12 LEU 107 23.760 -0.978 -3.166 60 HD13 LEU 107 HD13 LEU 107 23.271 -0.329 -4.730 61 HD21 LEU 107 HD21 LEU 107 19.833 -1.264 -4.617 62 HD22 LEU 107 HD22 LEU 107 20.469 -2.752 -3.917 63 HD23 LEU 107 HD23 LEU 107 21.236 -2.050 -5.341 64 H PHE 108 HN PHE 108 23.465 0.919 -2.639 65 HA PHE 108 HA PHE 108 23.224 3.118 -3.184 66 HB2 PHE 108 HB2 PHE 108 20.767 3.085 -1.424 67 HB3 PHE 108 HB1 PHE 108 21.207 4.341 -2.570 68 HD1 PHE 108 HD1 PHE 108 21.804 3.223 -4.992 69 HD2 PHE 108 HD2 PHE 108 19.074 1.775 -2.075 70 HE1 PHE 108 HE1 PHE 108 20.557 2.045 -6.752 71 HE2 PHE 108 HE2 PHE 108 17.820 0.592 -3.828 72 HZ PHE 108 HZ PHE 108 18.574 0.735 -6.154 73 H GLY 109 HN GLY 109 24.882 2.276 -1.036 74 HA2 GLY 109 HA2 GLY 109 25.784 4.616 0.018 75 HA3 GLY 109 HA1 GLY 109 24.542 4.119 1.153 76 H LYS 110 HN LYS 110 25.034 1.281 0.916 77 HA LYS 110 HA LYS 110 26.915 0.933 2.929 78 HB2 LYS 110 HB2 LYS 110 26.832 -1.457 2.417 79 HB3 LYS 110 HB1 LYS 110 25.222 -0.748 2.415 80 HG2 LYS 110 HG2 LYS 110 25.194 -0.711 0.005 81 HG3 LYS 110 HG1 LYS 110 26.860 -1.293 -0.051 82 HD2 LYS 110 HD2 LYS 110 26.188 -3.373 1.011 83 HD3 LYS 110 HD1 LYS 110 24.527 -2.791 1.134 84 HE2 LYS 110 HE2 LYS 110 24.787 -4.310 -0.758 85 HE3 LYS 110 HE1 LYS 110 24.383 -2.683 -1.304 86 HZ1 LYS 110 HZ1 LYS 110 26.744 -2.318 -1.771 87 HZ2 LYS 110 HZ2 LYS 110 26.124 -3.615 -2.663 88 HZ3 LYS 110 HZ3 LYS 110 27.088 -3.909 -1.305 89 H GLY 111 HN GLY 111 27.279 0.817 -0.538 90 HA2 GLY 111 HA2 GLY 111 29.503 1.638 -1.324 91 HA3 GLY 111 HA1 GLY 111 30.193 0.510 -0.168 92 H GLY 112 HN GLY 112 29.771 -1.800 -0.525 93 HA2 GLY 112 HA2 GLY 112 28.654 -3.200 -2.447 94 HA3 GLY 112 HA1 GLY 112 29.889 -2.380 -3.392 Start of MODEL 11 1 H1 ASP 98 HT1 ASP 98 10.951 -4.237 -0.040 2 H2 ASP 98 HT2 ASP 98 11.106 -5.925 -0.314 3 H3 ASP 98 HT3 ASP 98 12.500 -4.971 -0.001 4 HA ASP 98 HA ASP 98 10.356 -5.785 1.820 5 HB2 ASP 98 HB2 ASP 98 13.381 -5.915 1.895 6 HB3 ASP 98 HB1 ASP 98 12.306 -6.528 3.149 7 H ARG 99 HN ARG 99 12.678 -3.284 1.076 8 HA ARG 99 HA ARG 99 11.625 -1.707 3.300 9 HB2 ARG 99 HB2 ARG 99 13.725 -2.583 4.112 10 HB3 ARG 99 HB1 ARG 99 14.549 -2.070 2.650 11 HG2 ARG 99 HG2 ARG 99 15.077 -0.575 4.463 12 HG3 ARG 99 HG1 ARG 99 14.119 0.276 3.252 13 HD2 ARG 99 HD2 ARG 99 13.000 -0.939 5.779 14 HD3 ARG 99 HD1 ARG 99 13.453 0.760 5.604 15 HE ARG 99 HE ARG 99 11.039 -0.436 4.753 16 HH11 ARG 99 HH11 ARG 99 13.389 1.961 3.793 17 HH12 ARG 99 HH12 ARG 99 12.267 2.849 2.818 18 HH21 ARG 99 HH21 ARG 99 9.564 0.735 3.475 19 HH22 ARG 99 HH22 ARG 99 10.096 2.156 2.640 20 H GLY 100 HN GLY 100 14.312 -0.846 1.239 21 HA2 GLY 100 HA2 GLY 100 13.719 0.320 -0.942 22 HA3 GLY 100 HA1 GLY 100 12.622 1.267 0.055 23 H TRP 101 HN TRP 101 15.972 0.187 0.466 24 HA TRP 101 HA TRP 101 16.820 2.539 1.748 25 HB2 TRP 101 HB2 TRP 101 18.481 0.462 0.322 26 HB3 TRP 101 HB1 TRP 101 19.065 1.617 1.516 27 HD1 TRP 101 HD1 TRP 101 17.678 1.301 4.010 28 HE1 TRP 101 HE1 TRP 101 17.163 -0.935 5.196 29 HE3 TRP 101 HE3 TRP 101 18.120 -1.749 0.031 30 HZ2 TRP 101 HZ2 TRP 101 16.962 -3.670 4.467 31 HZ3 TRP 101 HZ3 TRP 101 17.758 -4.168 0.302 32 HH2 TRP 101 HH2 TRP 101 17.195 -5.115 2.481 33 H GLY 102 HN GLY 102 18.803 1.655 -0.960 34 HA2 GLY 102 HA2 GLY 102 19.218 2.784 -2.971 35 HA3 GLY 102 HA1 GLY 102 17.977 3.961 -2.537 36 H ASN 103 HN ASN 103 18.936 4.437 0.081 37 HA ASN 103 HA ASN 103 20.846 6.472 -0.401 38 HB2 ASN 103 HB2 ASN 103 20.756 6.753 2.073 39 HB3 ASN 103 HB1 ASN 103 19.178 6.779 1.304 40 HD21 ASN 103 HD21 ASN 103 20.071 3.573 1.272 41 HD22 ASN 103 HD22 ASN 103 19.353 3.079 2.752 42 H GLY 104 HN GLY 104 21.253 3.184 -0.125 43 HA2 GLY 104 HA2 GLY 104 23.055 1.842 0.242 44 HA3 GLY 104 HA1 GLY 104 24.040 3.272 -0.040 45 H CYS 105 HN CYS 105 21.684 2.654 2.513 46 HA CYS 105 HA CYS 105 23.833 3.019 4.488 47 HB2 CYS 105 HB2 CYS 105 22.136 4.789 4.560 48 HB3 CYS 105 HB1 CYS 105 20.870 3.581 4.752 49 HG CYS 105 HG CYS 105 23.014 4.063 6.957 50 H GLY 106 HN GLY 106 21.138 1.045 3.460 51 HA2 GLY 106 HA2 GLY 106 21.792 -0.861 5.624 52 HA3 GLY 106 HA1 GLY 106 20.188 -0.695 4.924 53 H LEU 107 HN LEU 107 21.468 -0.370 2.220 54 HA LEU 107 HA LEU 107 22.980 -2.543 1.467 55 HB2 LEU 107 HB2 LEU 107 21.241 -3.990 2.277 56 HB3 LEU 107 HB1 LEU 107 20.021 -3.092 1.407 57 HG LEU 107 HG LEU 107 20.911 -3.894 -0.718 58 HD11 LEU 107 HD11 LEU 107 23.271 -4.211 0.511 59 HD12 LEU 107 HD12 LEU 107 22.837 -5.056 -0.974 60 HD13 LEU 107 HD13 LEU 107 22.681 -5.871 0.583 61 HD21 LEU 107 HD21 LEU 107 19.407 -5.291 1.038 62 HD22 LEU 107 HD22 LEU 107 20.724 -6.429 0.754 63 HD23 LEU 107 HD23 LEU 107 19.771 -5.827 -0.601 64 H PHE 108 HN PHE 108 23.242 -2.702 -0.799 65 HA PHE 108 HA PHE 108 23.206 -2.009 -2.970 66 HB2 PHE 108 HB2 PHE 108 20.693 -0.492 -2.244 67 HB3 PHE 108 HB1 PHE 108 21.278 -0.817 -3.868 68 HD1 PHE 108 HD1 PHE 108 21.832 -3.452 -4.183 69 HD2 PHE 108 HD2 PHE 108 18.952 -1.731 -1.576 70 HE1 PHE 108 HE1 PHE 108 20.556 -5.552 -4.218 71 HE2 PHE 108 HE2 PHE 108 17.665 -3.827 -1.606 72 HZ PHE 108 HZ PHE 108 18.480 -5.723 -2.926 73 H GLY 109 HN GLY 109 24.864 -0.739 -1.209 74 HA2 GLY 109 HA2 GLY 109 25.874 1.398 -2.457 75 HA3 GLY 109 HA1 GLY 109 24.562 2.133 -1.551 76 H LYS 110 HN LYS 110 24.890 0.257 0.707 77 HA LYS 110 HA LYS 110 26.593 1.783 2.300 78 HB2 LYS 110 HB2 LYS 110 26.389 -0.002 3.966 79 HB3 LYS 110 HB1 LYS 110 24.835 0.390 3.245 80 HG2 LYS 110 HG2 LYS 110 24.993 -1.573 1.811 81 HG3 LYS 110 HG1 LYS 110 26.565 -1.962 2.512 82 HD2 LYS 110 HD2 LYS 110 25.531 -2.212 4.708 83 HD3 LYS 110 HD1 LYS 110 23.960 -1.796 4.022 84 HE2 LYS 110 HE2 LYS 110 24.190 -4.211 4.289 85 HE3 LYS 110 HE1 LYS 110 24.059 -3.771 2.587 86 HZ1 LYS 110 HZ1 LYS 110 25.896 -5.427 3.473 87 HZ2 LYS 110 HZ2 LYS 110 26.746 -3.983 3.709 88 HZ3 LYS 110 HZ3 LYS 110 26.182 -4.390 2.167 89 H GLY 111 HN GLY 111 27.310 -0.768 0.115 90 HA2 GLY 111 HA2 GLY 111 29.919 -1.295 1.306 91 HA3 GLY 111 HA1 GLY 111 29.224 -2.119 -0.082 92 H GLY 112 HN GLY 112 31.833 -0.575 0.565 93 HA2 GLY 112 HA2 GLY 112 33.306 0.200 -1.137 94 HA3 GLY 112 HA1 GLY 112 31.914 0.774 -2.041 Start of MODEL 12 1 H1 ASP 98 HT1 ASP 98 12.506 -4.014 -4.560 2 H2 ASP 98 HT2 ASP 98 13.184 -4.684 -3.133 3 H3 ASP 98 HT3 ASP 98 13.159 -2.982 -3.357 4 HA ASP 98 HA ASP 98 10.686 -3.196 -3.478 5 HB2 ASP 98 HB2 ASP 98 11.432 -5.849 -2.222 6 HB3 ASP 98 HB1 ASP 98 9.800 -5.190 -2.307 7 H ARG 99 HN ARG 99 13.308 -3.921 -1.287 8 HA ARG 99 HA ARG 99 12.080 -3.292 1.139 9 HB2 ARG 99 HB2 ARG 99 14.227 -4.399 1.070 10 HB3 ARG 99 HB1 ARG 99 14.961 -3.007 0.292 11 HG2 ARG 99 HG2 ARG 99 15.583 -3.088 2.620 12 HG3 ARG 99 HG1 ARG 99 14.567 -1.680 2.320 13 HD2 ARG 99 HD2 ARG 99 13.570 -4.303 3.431 14 HD3 ARG 99 HD1 ARG 99 14.020 -2.909 4.419 15 HE ARG 99 HE ARG 99 11.564 -3.301 3.077 16 HH11 ARG 99 HH11 ARG 99 13.873 -0.810 3.883 17 HH12 ARG 99 HH12 ARG 99 12.711 0.469 3.796 18 HH21 ARG 99 HH21 ARG 99 10.033 -1.618 2.969 19 HH22 ARG 99 HH22 ARG 99 10.531 0.011 3.281 20 H GLY 100 HN GLY 100 14.640 -1.166 0.074 21 HA2 GLY 100 HA2 GLY 100 14.013 1.126 -0.741 22 HA3 GLY 100 HA1 GLY 100 12.832 1.123 0.562 23 H TRP 101 HN TRP 101 16.288 0.375 0.220 24 HA TRP 101 HA TRP 101 16.954 1.214 2.832 25 HB2 TRP 101 HB2 TRP 101 18.757 0.877 0.437 26 HB3 TRP 101 HB1 TRP 101 19.261 0.909 2.125 27 HD1 TRP 101 HD1 TRP 101 17.944 -1.181 3.609 28 HE1 TRP 101 HE1 TRP 101 17.694 -3.640 2.865 29 HE3 TRP 101 HE3 TRP 101 18.656 -0.522 -1.330 30 HZ2 TRP 101 HZ2 TRP 101 17.786 -5.090 0.427 31 HZ3 TRP 101 HZ3 TRP 101 18.566 -2.459 -2.845 32 HH2 TRP 101 HH2 TRP 101 18.145 -4.704 -1.983 33 H GLY 102 HN GLY 102 18.939 2.645 0.377 34 HA2 GLY 102 HA2 GLY 102 19.167 4.884 -0.280 35 HA3 GLY 102 HA1 GLY 102 17.827 5.307 0.789 36 H ASN 103 HN ASN 103 18.808 3.935 3.053 37 HA ASN 103 HA ASN 103 20.485 5.899 4.206 38 HB2 ASN 103 HB2 ASN 103 20.460 4.367 6.173 39 HB3 ASN 103 HB1 ASN 103 18.860 4.767 5.570 40 HD21 ASN 103 HD21 ASN 103 20.062 2.596 3.355 41 HD22 ASN 103 HD22 ASN 103 19.457 1.144 4.044 42 H GLY 104 HN GLY 104 21.234 3.396 2.143 43 HA2 GLY 104 HA2 GLY 104 23.176 2.370 1.551 44 HA3 GLY 104 HA1 GLY 104 23.998 3.689 2.376 45 H CYS 105 HN CYS 105 21.819 1.286 3.748 46 HA CYS 105 HA CYS 105 24.015 0.385 5.485 47 HB2 CYS 105 HB2 CYS 105 22.151 1.420 6.697 48 HB3 CYS 105 HB1 CYS 105 21.025 0.292 5.950 49 HG CYS 105 HG CYS 105 21.862 -1.564 7.445 50 H GLY 106 HN GLY 106 21.497 -0.594 3.271 51 HA2 GLY 106 HA2 GLY 106 22.431 -3.387 3.536 52 HA3 GLY 106 HA1 GLY 106 20.791 -2.947 3.079 53 H LEU 107 HN LEU 107 21.926 -0.713 1.407 54 HA LEU 107 HA LEU 107 23.617 -1.613 -0.577 55 HB2 LEU 107 HB2 LEU 107 22.030 -3.358 -1.059 56 HB3 LEU 107 HB1 LEU 107 20.718 -2.208 -1.130 57 HG LEU 107 HG LEU 107 21.635 -1.251 -3.179 58 HD11 LEU 107 HD11 LEU 107 23.604 -3.438 -3.490 59 HD12 LEU 107 HD12 LEU 107 24.039 -2.119 -2.402 60 HD13 LEU 107 HD13 LEU 107 23.646 -1.779 -4.087 61 HD21 LEU 107 HD21 LEU 107 20.361 -3.665 -2.908 62 HD22 LEU 107 HD22 LEU 107 21.721 -4.056 -3.960 63 HD23 LEU 107 HD23 LEU 107 20.589 -2.783 -4.418 64 H PHE 108 HN PHE 108 23.799 -0.141 -2.331 65 HA PHE 108 HA PHE 108 23.627 1.855 -3.415 66 HB2 PHE 108 HB2 PHE 108 21.041 2.245 -1.901 67 HB3 PHE 108 HB1 PHE 108 21.588 3.180 -3.282 68 HD1 PHE 108 HD1 PHE 108 22.342 1.518 -5.307 69 HD2 PHE 108 HD2 PHE 108 19.395 0.792 -2.333 70 HE1 PHE 108 HE1 PHE 108 21.217 -0.063 -6.815 71 HE2 PHE 108 HE2 PHE 108 18.263 -0.793 -3.834 72 HZ PHE 108 HZ PHE 108 19.185 -1.208 -6.064 73 H GLY 109 HN GLY 109 25.188 1.623 -1.124 74 HA2 GLY 109 HA2 GLY 109 26.016 4.122 -0.559 75 HA3 GLY 109 HA1 GLY 109 24.684 3.922 0.566 76 H LYS 110 HN LYS 110 25.178 1.077 0.999 77 HA LYS 110 HA LYS 110 26.858 1.225 3.209 78 HB2 LYS 110 HB2 LYS 110 26.808 -1.220 3.240 79 HB3 LYS 110 HB1 LYS 110 25.211 -0.552 2.939 80 HG2 LYS 110 HG2 LYS 110 25.411 -1.047 0.579 81 HG3 LYS 110 HG1 LYS 110 27.057 -1.641 0.825 82 HD2 LYS 110 HD2 LYS 110 26.217 -3.412 2.267 83 HD3 LYS 110 HD1 LYS 110 24.573 -2.807 2.074 84 HE2 LYS 110 HE2 LYS 110 24.978 -4.727 0.623 85 HE3 LYS 110 HE1 LYS 110 24.681 -3.269 -0.323 86 HZ1 LYS 110 HZ1 LYS 110 26.812 -4.969 -0.576 87 HZ2 LYS 110 HZ2 LYS 110 27.458 -3.626 0.225 88 HZ3 LYS 110 HZ3 LYS 110 26.672 -3.428 -1.261 89 H GLY 111 HN GLY 111 27.599 0.701 -0.123 90 HA2 GLY 111 HA2 GLY 111 30.101 1.394 -0.371 91 HA3 GLY 111 HA1 GLY 111 30.345 -0.097 0.525 92 H GLY 112 HN GLY 112 29.147 -2.039 -0.475 93 HA2 GLY 112 HA2 GLY 112 30.201 -2.466 -3.055 94 HA3 GLY 112 HA1 GLY 112 29.064 -3.520 -2.227 Start of MODEL 13 1 H1 ASP 98 HT1 ASP 98 12.084 -4.675 -1.025 2 H2 ASP 98 HT2 ASP 98 10.722 -3.739 -1.488 3 H3 ASP 98 HT3 ASP 98 10.736 -5.433 -1.764 4 HA ASP 98 HA ASP 98 9.379 -5.019 0.073 5 HB2 ASP 98 HB2 ASP 98 12.111 -6.027 0.901 6 HB3 ASP 98 HB1 ASP 98 10.612 -6.320 1.778 7 H ARG 99 HN ARG 99 12.625 -3.668 0.618 8 HA ARG 99 HA ARG 99 11.531 -1.981 2.739 9 HB2 ARG 99 HB2 ARG 99 13.493 -3.243 3.368 10 HB3 ARG 99 HB1 ARG 99 14.382 -2.621 1.989 11 HG2 ARG 99 HG2 ARG 99 15.086 -1.512 4.015 12 HG3 ARG 99 HG1 ARG 99 14.276 -0.366 2.948 13 HD2 ARG 99 HD2 ARG 99 12.945 -1.776 5.259 14 HD3 ARG 99 HD1 ARG 99 13.644 -0.157 5.352 15 HE ARG 99 HE ARG 99 11.103 -0.838 4.324 16 HH11 ARG 99 HH11 ARG 99 13.797 1.308 3.755 17 HH12 ARG 99 HH12 ARG 99 12.841 2.493 2.933 18 HH21 ARG 99 HH21 ARG 99 9.844 0.724 3.248 19 HH22 ARG 99 HH22 ARG 99 10.596 2.163 2.647 20 H GLY 100 HN GLY 100 14.317 -1.167 0.792 21 HA2 GLY 100 HA2 GLY 100 14.053 0.366 -1.151 22 HA3 GLY 100 HA1 GLY 100 12.842 1.203 -0.187 23 H TRP 101 HN TRP 101 16.212 0.120 0.130 24 HA TRP 101 HA TRP 101 16.911 2.147 1.982 25 HB2 TRP 101 HB2 TRP 101 18.717 0.458 0.253 26 HB3 TRP 101 HB1 TRP 101 19.183 1.330 1.713 27 HD1 TRP 101 HD1 TRP 101 17.582 0.444 3.950 28 HE1 TRP 101 HE1 TRP 101 17.098 -2.011 4.580 29 HE3 TRP 101 HE3 TRP 101 18.554 -1.656 -0.519 30 HZ2 TRP 101 HZ2 TRP 101 17.129 -4.532 3.278 31 HZ3 TRP 101 HZ3 TRP 101 18.316 -4.089 -0.801 32 HH2 TRP 101 HH2 TRP 101 17.623 -5.504 1.065 33 H GLY 102 HN GLY 102 19.085 1.906 -0.706 34 HA2 GLY 102 HA2 GLY 102 19.562 3.433 -2.418 35 HA3 GLY 102 HA1 GLY 102 18.243 4.454 -1.841 36 H ASN 103 HN ASN 103 19.022 4.416 0.879 37 HA ASN 103 HA ASN 103 20.852 6.572 0.954 38 HB2 ASN 103 HB2 ASN 103 20.618 6.322 3.423 39 HB3 ASN 103 HB1 ASN 103 19.083 6.448 2.579 40 HD21 ASN 103 HD21 ASN 103 20.130 3.360 1.930 41 HD22 ASN 103 HD22 ASN 103 19.366 2.535 3.229 42 H GLY 104 HN GLY 104 21.404 3.313 0.575 43 HA2 GLY 104 HA2 GLY 104 23.251 1.996 0.759 44 HA3 GLY 104 HA1 GLY 104 24.177 3.490 0.835 45 H CYS 105 HN CYS 105 21.727 2.310 3.078 46 HA CYS 105 HA CYS 105 23.764 2.319 5.200 47 HB2 CYS 105 HB2 CYS 105 21.982 3.969 5.538 48 HB3 CYS 105 HB1 CYS 105 20.768 2.702 5.406 49 HG CYS 105 HG CYS 105 21.099 2.146 7.770 50 H GLY 106 HN GLY 106 21.227 0.500 3.631 51 HA2 GLY 106 HA2 GLY 106 21.861 -1.789 5.391 52 HA3 GLY 106 HA1 GLY 106 20.288 -1.540 4.645 53 H LEU 107 HN LEU 107 21.701 -0.610 2.149 54 HA LEU 107 HA LEU 107 23.344 -2.537 1.064 55 HB2 LEU 107 HB2 LEU 107 21.609 -4.162 1.442 56 HB3 LEU 107 HB1 LEU 107 20.418 -3.132 0.684 57 HG LEU 107 HG LEU 107 21.478 -3.461 -1.487 58 HD11 LEU 107 HD11 LEU 107 23.456 -4.518 -1.834 59 HD12 LEU 107 HD12 LEU 107 23.235 -5.613 -0.471 60 HD13 LEU 107 HD13 LEU 107 23.764 -3.955 -0.192 61 HD21 LEU 107 HD21 LEU 107 21.290 -6.163 -1.288 62 HD22 LEU 107 HD22 LEU 107 19.917 -5.068 -1.451 63 HD23 LEU 107 HD23 LEU 107 20.401 -5.644 0.145 64 H PHE 108 HN PHE 108 23.737 -2.217 -1.171 65 HA PHE 108 HA PHE 108 23.800 -1.085 -3.147 66 HB2 PHE 108 HB2 PHE 108 21.203 0.198 -2.280 67 HB3 PHE 108 HB1 PHE 108 21.891 0.230 -3.896 68 HD1 PHE 108 HD1 PHE 108 22.557 -2.283 -4.696 69 HD2 PHE 108 HD2 PHE 108 19.455 -1.174 -2.013 70 HE1 PHE 108 HE1 PHE 108 21.351 -4.352 -5.245 71 HE2 PHE 108 HE2 PHE 108 18.239 -3.240 -2.556 72 HZ PHE 108 HZ PHE 108 19.199 -4.815 -4.167 73 H GLY 109 HN GLY 109 25.276 -0.171 -1.000 74 HA2 GLY 109 HA2 GLY 109 26.297 2.199 -1.740 75 HA3 GLY 109 HA1 GLY 109 24.910 2.700 -0.786 76 H LYS 110 HN LYS 110 25.146 0.452 1.086 77 HA LYS 110 HA LYS 110 26.725 1.650 3.038 78 HB2 LYS 110 HB2 LYS 110 26.475 -0.424 4.314 79 HB3 LYS 110 HB1 LYS 110 24.954 0.073 3.588 80 HG2 LYS 110 HG2 LYS 110 25.235 -1.576 1.825 81 HG3 LYS 110 HG1 LYS 110 26.789 -2.058 2.512 82 HD2 LYS 110 HD2 LYS 110 25.673 -2.758 4.565 83 HD3 LYS 110 HD1 LYS 110 24.120 -2.247 3.904 84 HE2 LYS 110 HE2 LYS 110 24.409 -4.661 3.705 85 HE3 LYS 110 HE1 LYS 110 24.332 -3.899 2.118 86 HZ1 LYS 110 HZ1 LYS 110 26.759 -3.996 2.017 87 HZ2 LYS 110 HZ2 LYS 110 26.084 -5.538 2.185 88 HZ3 LYS 110 HZ3 LYS 110 26.800 -4.779 3.517 89 H GLY 111 HN GLY 111 27.622 -0.433 0.457 90 HA2 GLY 111 HA2 GLY 111 30.287 -0.832 1.658 91 HA3 GLY 111 HA1 GLY 111 29.594 -1.844 0.401 92 H GLY 112 HN GLY 112 29.924 -1.333 -1.706 93 HA2 GLY 112 HA2 GLY 112 31.692 0.960 -2.201 94 HA3 GLY 112 HA1 GLY 112 31.505 -0.438 -3.250 Start of MODEL 14 1 H1 ASP 98 HT1 ASP 98 11.563 -4.270 -4.045 2 H2 ASP 98 HT2 ASP 98 12.893 -3.963 -3.002 3 H3 ASP 98 HT3 ASP 98 11.564 -2.877 -3.046 4 HA ASP 98 HA ASP 98 10.152 -4.750 -2.304 5 HB2 ASP 98 HB2 ASP 98 12.893 -5.914 -1.752 6 HB3 ASP 98 HB1 ASP 98 11.369 -6.594 -1.188 7 H ARG 99 HN ARG 99 13.227 -3.476 -1.086 8 HA ARG 99 HA ARG 99 11.968 -2.961 1.503 9 HB2 ARG 99 HB2 ARG 99 14.061 -4.164 1.629 10 HB3 ARG 99 HB1 ARG 99 14.867 -2.934 0.670 11 HG2 ARG 99 HG2 ARG 99 15.459 -2.707 3.000 12 HG3 ARG 99 HG1 ARG 99 14.519 -1.311 2.477 13 HD2 ARG 99 HD2 ARG 99 13.374 -3.691 3.937 14 HD3 ARG 99 HD1 ARG 99 13.886 -2.195 4.722 15 HE ARG 99 HE ARG 99 11.429 -2.651 3.408 16 HH11 ARG 99 HH11 ARG 99 13.859 -0.189 3.882 17 HH12 ARG 99 HH12 ARG 99 12.764 1.121 3.593 18 HH21 ARG 99 HH21 ARG 99 9.990 -0.928 3.034 19 HH22 ARG 99 HH22 ARG 99 10.568 0.703 3.115 20 H GLY 100 HN GLY 100 14.633 -1.134 0.165 21 HA2 GLY 100 HA2 GLY 100 14.134 1.036 -0.983 22 HA3 GLY 100 HA1 GLY 100 12.924 1.277 0.271 23 H TRP 101 HN TRP 101 16.361 0.382 0.110 24 HA TRP 101 HA TRP 101 16.999 1.567 2.597 25 HB2 TRP 101 HB2 TRP 101 18.845 0.808 0.334 26 HB3 TRP 101 HB1 TRP 101 19.305 1.069 2.016 27 HD1 TRP 101 HD1 TRP 101 17.842 -0.726 3.740 28 HE1 TRP 101 HE1 TRP 101 17.516 -3.258 3.356 29 HE3 TRP 101 HE3 TRP 101 18.761 -0.834 -1.208 30 HZ2 TRP 101 HZ2 TRP 101 17.636 -5.056 1.165 31 HZ3 TRP 101 HZ3 TRP 101 18.647 -2.972 -2.423 32 HH2 TRP 101 HH2 TRP 101 18.102 -5.047 -1.259 33 H GLY 102 HN GLY 102 19.105 2.537 0.022 34 HA2 GLY 102 HA2 GLY 102 19.454 4.639 -0.950 35 HA3 GLY 102 HA1 GLY 102 18.093 5.268 -0.018 36 H ASN 103 HN ASN 103 18.939 4.217 2.469 37 HA ASN 103 HA ASN 103 20.644 6.279 3.384 38 HB2 ASN 103 HB2 ASN 103 20.492 5.062 5.556 39 HB3 ASN 103 HB1 ASN 103 18.931 5.417 4.834 40 HD21 ASN 103 HD21 ASN 103 20.124 2.903 3.017 41 HD22 ASN 103 HD22 ASN 103 19.441 1.590 3.888 42 H GLY 104 HN GLY 104 21.372 3.466 1.757 43 HA2 GLY 104 HA2 GLY 104 23.300 2.311 1.400 44 HA3 GLY 104 HA1 GLY 104 24.136 3.709 2.063 45 H CYS 105 HN CYS 105 21.814 1.619 3.684 46 HA CYS 105 HA CYS 105 23.909 0.902 5.618 47 HB2 CYS 105 HB2 CYS 105 22.052 2.178 6.588 48 HB3 CYS 105 HB1 CYS 105 20.904 0.994 5.974 49 HG CYS 105 HG CYS 105 21.476 -0.567 7.823 50 H GLY 106 HN GLY 106 21.435 -0.300 3.467 51 HA2 GLY 106 HA2 GLY 106 22.231 -3.055 4.186 52 HA3 GLY 106 HA1 GLY 106 20.630 -2.625 3.601 53 H LEU 107 HN LEU 107 21.922 -0.716 1.661 54 HA LEU 107 HA LEU 107 23.640 -1.973 -0.095 55 HB2 LEU 107 HB2 LEU 107 21.993 -3.710 -0.369 56 HB3 LEU 107 HB1 LEU 107 20.738 -2.533 -0.675 57 HG LEU 107 HG LEU 107 21.779 -1.942 -2.802 58 HD11 LEU 107 HD11 LEU 107 23.629 -4.217 -2.814 59 HD12 LEU 107 HD12 LEU 107 24.093 -2.899 -1.739 60 HD13 LEU 107 HD13 LEU 107 23.830 -2.586 -3.455 61 HD21 LEU 107 HD21 LEU 107 20.295 -3.511 -3.396 62 HD22 LEU 107 HD22 LEU 107 20.826 -4.632 -2.142 63 HD23 LEU 107 HD23 LEU 107 21.718 -4.519 -3.659 64 H PHE 108 HN PHE 108 23.938 -0.799 -2.049 65 HA PHE 108 HA PHE 108 23.891 1.015 -3.428 66 HB2 PHE 108 HB2 PHE 108 21.275 1.726 -2.091 67 HB3 PHE 108 HB1 PHE 108 21.906 2.420 -3.576 68 HD1 PHE 108 HD1 PHE 108 22.654 0.443 -5.296 69 HD2 PHE 108 HD2 PHE 108 19.585 0.286 -2.363 70 HE1 PHE 108 HE1 PHE 108 21.516 -1.308 -6.591 71 HE2 PHE 108 HE2 PHE 108 18.436 -1.466 -3.650 72 HZ PHE 108 HZ PHE 108 19.414 -2.250 -5.756 73 H GLY 109 HN GLY 109 25.326 1.065 -1.014 74 HA2 GLY 109 HA2 GLY 109 26.246 3.602 -0.823 75 HA3 GLY 109 HA1 GLY 109 24.872 3.614 0.268 76 H LYS 110 HN LYS 110 25.255 0.848 1.137 77 HA LYS 110 HA LYS 110 26.868 1.281 3.361 78 HB2 LYS 110 HB2 LYS 110 26.730 -1.132 3.757 79 HB3 LYS 110 HB1 LYS 110 25.168 -0.464 3.307 80 HG2 LYS 110 HG2 LYS 110 25.428 -1.311 1.049 81 HG3 LYS 110 HG1 LYS 110 27.030 -1.936 1.454 82 HD2 LYS 110 HD2 LYS 110 26.042 -3.423 3.112 83 HD3 LYS 110 HD1 LYS 110 24.441 -2.779 2.751 84 HE2 LYS 110 HE2 LYS 110 24.802 -4.917 1.629 85 HE3 LYS 110 HE1 LYS 110 24.618 -3.610 0.460 86 HZ1 LYS 110 HZ1 LYS 110 27.200 -4.786 1.340 87 HZ2 LYS 110 HZ2 LYS 110 27.019 -3.541 0.210 88 HZ3 LYS 110 HZ3 LYS 110 26.431 -5.089 -0.137 89 H GLY 111 HN GLY 111 27.732 0.370 0.161 90 HA2 GLY 111 HA2 GLY 111 30.459 0.798 0.502 91 HA3 GLY 111 HA1 GLY 111 30.190 -0.927 0.711 92 H GLY 112 HN GLY 112 28.184 -1.370 -1.155 93 HA2 GLY 112 HA2 GLY 112 28.742 -0.255 -3.699 94 HA3 GLY 112 HA1 GLY 112 29.626 -1.761 -3.503 Start of MODEL 15 1 H1 ASP 98 HT1 ASP 98 12.418 -4.043 -4.443 2 H2 ASP 98 HT2 ASP 98 13.579 -3.399 -3.355 3 H3 ASP 98 HT3 ASP 98 11.936 -2.914 -3.246 4 HA ASP 98 HA ASP 98 11.402 -5.291 -2.824 5 HB2 ASP 98 HB2 ASP 98 14.396 -5.313 -2.364 6 HB3 ASP 98 HB1 ASP 98 13.294 -6.619 -1.937 7 H ARG 99 HN ARG 99 13.688 -3.007 -1.391 8 HA ARG 99 HA ARG 99 12.192 -3.203 1.131 9 HB2 ARG 99 HB2 ARG 99 14.400 -4.144 1.438 10 HB3 ARG 99 HB1 ARG 99 15.143 -2.716 0.739 11 HG2 ARG 99 HG2 ARG 99 15.414 -2.642 3.112 12 HG3 ARG 99 HG1 ARG 99 14.269 -1.387 2.643 13 HD2 ARG 99 HD2 ARG 99 13.477 -4.107 3.677 14 HD3 ARG 99 HD1 ARG 99 13.633 -2.669 4.690 15 HE ARG 99 HE ARG 99 11.896 -2.029 2.622 16 HH11 ARG 99 HH11 ARG 99 12.011 -4.240 5.315 17 HH12 ARG 99 HH12 ARG 99 10.294 -4.252 5.538 18 HH21 ARG 99 HH21 ARG 99 9.638 -2.043 2.911 19 HH22 ARG 99 HH22 ARG 99 8.947 -3.005 4.174 20 H GLY 100 HN GLY 100 14.713 -0.972 0.144 21 HA2 GLY 100 HA2 GLY 100 13.933 1.241 -0.810 22 HA3 GLY 100 HA1 GLY 100 12.794 1.242 0.532 23 H TRP 101 HN TRP 101 16.222 0.401 0.330 24 HA TRP 101 HA TRP 101 16.886 1.564 2.800 25 HB2 TRP 101 HB2 TRP 101 18.702 0.871 0.490 26 HB3 TRP 101 HB1 TRP 101 19.195 1.110 2.166 27 HD1 TRP 101 HD1 TRP 101 17.855 -0.735 3.903 28 HE1 TRP 101 HE1 TRP 101 17.521 -3.262 3.485 29 HE3 TRP 101 HE3 TRP 101 18.498 -0.734 -1.089 30 HZ2 TRP 101 HZ2 TRP 101 17.524 -5.011 1.250 31 HZ3 TRP 101 HZ3 TRP 101 18.322 -2.845 -2.342 32 HH2 TRP 101 HH2 TRP 101 17.852 -4.948 -1.193 33 H GLY 102 HN GLY 102 18.920 2.611 0.189 34 HA2 GLY 102 HA2 GLY 102 19.243 4.744 -0.724 35 HA3 GLY 102 HA1 GLY 102 17.911 5.343 0.266 36 H ASN 103 HN ASN 103 18.827 4.218 2.694 37 HA ASN 103 HA ASN 103 20.565 6.253 3.615 38 HB2 ASN 103 HB2 ASN 103 20.458 4.985 5.760 39 HB3 ASN 103 HB1 ASN 103 18.884 5.374 5.088 40 HD21 ASN 103 HD21 ASN 103 20.020 2.885 3.187 41 HD22 ASN 103 HD22 ASN 103 19.335 1.562 4.043 42 H GLY 104 HN GLY 104 21.241 3.494 1.888 43 HA2 GLY 104 HA2 GLY 104 23.151 2.326 1.467 44 HA3 GLY 104 HA1 GLY 104 24.011 3.703 2.141 45 H CYS 105 HN CYS 105 21.715 1.570 3.749 46 HA CYS 105 HA CYS 105 23.846 0.805 5.627 47 HB2 CYS 105 HB2 CYS 105 22.019 2.068 6.668 48 HB3 CYS 105 HB1 CYS 105 20.850 0.906 6.050 49 HG CYS 105 HG CYS 105 22.697 -0.635 7.740 50 H GLY 106 HN GLY 106 21.302 -0.333 3.516 51 HA2 GLY 106 HA2 GLY 106 22.106 -3.108 4.146 52 HA3 GLY 106 HA1 GLY 106 20.492 -2.656 3.613 53 H LEU 107 HN LEU 107 21.755 -0.705 1.692 54 HA LEU 107 HA LEU 107 23.415 -1.921 -0.140 55 HB2 LEU 107 HB2 LEU 107 21.761 -3.648 -0.421 56 HB3 LEU 107 HB1 LEU 107 20.498 -2.463 -0.653 57 HG LEU 107 HG LEU 107 21.472 -1.808 -2.792 58 HD11 LEU 107 HD11 LEU 107 23.829 -2.667 -1.891 59 HD12 LEU 107 HD12 LEU 107 23.458 -2.545 -3.611 60 HD13 LEU 107 HD13 LEU 107 23.343 -4.103 -2.792 61 HD21 LEU 107 HD21 LEU 107 19.954 -3.359 -3.361 62 HD22 LEU 107 HD22 LEU 107 20.559 -4.531 -2.190 63 HD23 LEU 107 HD23 LEU 107 21.370 -4.338 -3.744 64 H PHE 108 HN PHE 108 23.681 -0.689 -2.058 65 HA PHE 108 HA PHE 108 23.606 1.161 -3.386 66 HB2 PHE 108 HB2 PHE 108 21.012 1.829 -1.988 67 HB3 PHE 108 HB1 PHE 108 21.617 2.564 -3.463 68 HD1 PHE 108 HD1 PHE 108 22.332 0.647 -5.256 69 HD2 PHE 108 HD2 PHE 108 19.327 0.381 -2.263 70 HE1 PHE 108 HE1 PHE 108 21.174 -1.070 -6.579 71 HE2 PHE 108 HE2 PHE 108 18.160 -1.337 -3.580 72 HZ PHE 108 HZ PHE 108 19.096 -2.050 -5.728 73 H GLY 109 HN GLY 109 25.148 1.179 -1.094 74 HA2 GLY 109 HA2 GLY 109 26.050 3.695 -0.817 75 HA3 GLY 109 HA1 GLY 109 24.695 3.684 0.300 76 H LYS 110 HN LYS 110 25.099 0.879 1.063 77 HA LYS 110 HA LYS 110 26.725 1.243 3.288 78 HB2 LYS 110 HB2 LYS 110 26.612 -1.184 3.593 79 HB3 LYS 110 HB1 LYS 110 25.040 -0.512 3.181 80 HG2 LYS 110 HG2 LYS 110 25.303 -1.265 0.884 81 HG3 LYS 110 HG1 LYS 110 26.902 -1.910 1.270 82 HD2 LYS 110 HD2 LYS 110 25.903 -3.450 2.876 83 HD3 LYS 110 HD1 LYS 110 24.305 -2.791 2.526 84 HE2 LYS 110 HE2 LYS 110 24.667 -4.889 1.337 85 HE3 LYS 110 HE1 LYS 110 24.498 -3.545 0.209 86 HZ1 LYS 110 HZ1 LYS 110 26.408 -5.291 -0.050 87 HZ2 LYS 110 HZ2 LYS 110 27.192 -4.303 1.075 88 HZ3 LYS 110 HZ3 LYS 110 26.677 -3.658 -0.402 89 H GLY 111 HN GLY 111 27.574 0.461 0.050 90 HA2 GLY 111 HA2 GLY 111 30.273 0.946 0.303 91 HA3 GLY 111 HA1 GLY 111 30.090 -0.776 0.603 92 H GLY 112 HN GLY 112 28.098 -1.445 -1.182 93 HA2 GLY 112 HA2 GLY 112 27.591 -1.654 -3.448 94 HA3 GLY 112 HA1 GLY 112 28.824 -0.456 -3.810 Start of MODEL 16 1 H1 ASP 98 HT1 ASP 98 10.772 -6.752 0.379 2 H2 ASP 98 HT2 ASP 98 12.474 -6.916 0.230 3 H3 ASP 98 HT3 ASP 98 11.455 -7.268 -1.106 4 HA ASP 98 HA ASP 98 12.548 -5.164 -1.350 5 HB2 ASP 98 HB2 ASP 98 9.561 -5.037 -0.864 6 HB3 ASP 98 HB1 ASP 98 10.484 -3.885 -1.824 7 H ARG 99 HN ARG 99 12.543 -2.880 -0.714 8 HA ARG 99 HA ARG 99 11.683 -2.186 1.932 9 HB2 ARG 99 HB2 ARG 99 13.713 -3.370 2.500 10 HB3 ARG 99 HB1 ARG 99 14.627 -2.436 1.328 11 HG2 ARG 99 HG2 ARG 99 15.076 -1.647 3.565 12 HG3 ARG 99 HG1 ARG 99 14.226 -0.407 2.646 13 HD2 ARG 99 HD2 ARG 99 12.893 -2.325 4.553 14 HD3 ARG 99 HD1 ARG 99 13.418 -0.695 4.991 15 HE ARG 99 HE ARG 99 11.032 -1.394 3.652 16 HH11 ARG 99 HH11 ARG 99 13.531 1.043 3.685 17 HH12 ARG 99 HH12 ARG 99 12.518 2.269 3.002 18 HH21 ARG 99 HH21 ARG 99 9.697 0.220 2.760 19 HH22 ARG 99 HH22 ARG 99 10.341 1.804 2.480 20 H GLY 100 HN GLY 100 14.496 -0.839 0.352 21 HA2 GLY 100 HA2 GLY 100 14.123 0.982 -1.347 22 HA3 GLY 100 HA1 GLY 100 12.910 1.589 -0.226 23 H TRP 101 HN TRP 101 16.267 0.458 0.033 24 HA TRP 101 HA TRP 101 16.933 2.232 2.123 25 HB2 TRP 101 HB2 TRP 101 18.769 0.773 0.224 26 HB3 TRP 101 HB1 TRP 101 19.212 1.450 1.789 27 HD1 TRP 101 HD1 TRP 101 17.605 0.290 3.881 28 HE1 TRP 101 HE1 TRP 101 17.093 -2.221 4.181 29 HE3 TRP 101 HE3 TRP 101 18.565 -1.214 -0.825 30 HZ2 TRP 101 HZ2 TRP 101 17.098 -4.549 2.557 31 HZ3 TRP 101 HZ3 TRP 101 18.301 -3.586 -1.426 32 HH2 TRP 101 HH2 TRP 101 17.587 -5.227 0.236 33 H GLY 102 HN GLY 102 19.157 2.334 -0.536 34 HA2 GLY 102 HA2 GLY 102 19.681 4.074 -2.013 35 HA3 GLY 102 HA1 GLY 102 18.360 5.022 -1.327 36 H ASN 103 HN ASN 103 19.079 4.615 1.377 37 HA ASN 103 HA ASN 103 20.927 6.718 1.776 38 HB2 ASN 103 HB2 ASN 103 20.646 6.136 4.185 39 HB3 ASN 103 HB1 ASN 103 19.131 6.401 3.339 40 HD21 ASN 103 HD21 ASN 103 20.150 3.412 2.298 41 HD22 ASN 103 HD22 ASN 103 19.347 2.433 3.460 42 H GLY 104 HN GLY 104 21.458 3.531 0.974 43 HA2 GLY 104 HA2 GLY 104 23.293 2.185 1.004 44 HA3 GLY 104 HA1 GLY 104 24.227 3.646 1.300 45 H CYS 105 HN CYS 105 21.725 2.252 3.344 46 HA CYS 105 HA CYS 105 23.734 1.925 5.465 47 HB2 CYS 105 HB2 CYS 105 21.967 3.541 6.000 48 HB3 CYS 105 HB1 CYS 105 20.740 2.320 5.683 49 HG CYS 105 HG CYS 105 21.318 1.154 7.858 50 H GLY 106 HN GLY 106 21.217 0.365 3.619 51 HA2 GLY 106 HA2 GLY 106 21.786 -2.144 5.075 52 HA3 GLY 106 HA1 GLY 106 20.230 -1.777 4.342 53 H LEU 107 HN LEU 107 21.678 -0.554 2.005 54 HA LEU 107 HA LEU 107 23.327 -2.347 0.709 55 HB2 LEU 107 HB2 LEU 107 21.564 -3.983 0.855 56 HB3 LEU 107 HB1 LEU 107 20.401 -2.852 0.207 57 HG LEU 107 HG LEU 107 21.508 -2.923 -1.967 58 HD11 LEU 107 HD11 LEU 107 23.187 -5.236 -1.322 59 HD12 LEU 107 HD12 LEU 107 23.732 -3.718 -0.610 60 HD13 LEU 107 HD13 LEU 107 23.516 -3.846 -2.355 61 HD21 LEU 107 HD21 LEU 107 19.944 -4.877 -0.837 62 HD22 LEU 107 HD22 LEU 107 21.282 -5.792 -1.530 63 HD23 LEU 107 HD23 LEU 107 20.325 -4.720 -2.552 64 H PHE 108 HN PHE 108 23.732 -1.771 -1.482 65 HA PHE 108 HA PHE 108 23.834 -0.401 -3.299 66 HB2 PHE 108 HB2 PHE 108 21.270 0.835 -2.280 67 HB3 PHE 108 HB1 PHE 108 21.966 1.050 -3.878 68 HD1 PHE 108 HD1 PHE 108 22.576 -1.375 -4.969 69 HD2 PHE 108 HD2 PHE 108 19.471 -0.491 -2.207 70 HE1 PHE 108 HE1 PHE 108 21.314 -3.325 -5.774 71 HE2 PHE 108 HE2 PHE 108 18.199 -2.440 -3.005 72 HZ PHE 108 HZ PHE 108 19.134 -3.842 -4.782 73 H GLY 109 HN GLY 109 25.224 0.194 -0.915 74 HA2 GLY 109 HA2 GLY 109 26.342 2.619 -1.395 75 HA3 GLY 109 HA1 GLY 109 24.966 3.017 -0.382 76 H LYS 110 HN LYS 110 25.120 0.582 1.212 77 HA LYS 110 HA LYS 110 26.756 1.473 3.276 78 HB2 LYS 110 HB2 LYS 110 26.428 -0.727 4.302 79 HB3 LYS 110 HB1 LYS 110 24.926 -0.087 3.652 80 HG2 LYS 110 HG2 LYS 110 25.121 -1.532 1.713 81 HG3 LYS 110 HG1 LYS 110 26.668 -2.143 2.308 82 HD2 LYS 110 HD2 LYS 110 25.564 -3.048 4.283 83 HD3 LYS 110 HD1 LYS 110 24.019 -2.404 3.728 84 HE2 LYS 110 HE2 LYS 110 24.205 -4.784 3.231 85 HE3 LYS 110 HE1 LYS 110 24.130 -3.833 1.749 86 HZ1 LYS 110 HZ1 LYS 110 26.222 -4.390 1.180 87 HZ2 LYS 110 HZ2 LYS 110 25.937 -5.727 2.177 88 HZ3 LYS 110 HZ3 LYS 110 26.792 -4.395 2.774 89 H GLY 111 HN GLY 111 27.558 -0.338 0.465 90 HA2 GLY 111 HA2 GLY 111 30.351 -0.413 1.351 91 HA3 GLY 111 HA1 GLY 111 29.613 -1.920 0.828 92 H GLY 112 HN GLY 112 28.357 -1.561 -1.382 93 HA2 GLY 112 HA2 GLY 112 30.414 -0.747 -3.252 94 HA3 GLY 112 HA1 GLY 112 28.895 -1.536 -3.647 Start of MODEL 17 1 H1 ASP 98 HT1 ASP 98 9.407 -5.754 -1.225 2 H2 ASP 98 HT2 ASP 98 9.299 -5.702 -2.936 3 H3 ASP 98 HT3 ASP 98 8.541 -4.488 -1.990 4 HA ASP 98 HA ASP 98 11.407 -4.962 -2.412 5 HB2 ASP 98 HB2 ASP 98 9.565 -2.604 -2.881 6 HB3 ASP 98 HB1 ASP 98 11.296 -2.620 -3.205 7 H ARG 99 HN ARG 99 12.782 -3.333 -1.328 8 HA ARG 99 HA ARG 99 11.857 -2.920 1.416 9 HB2 ARG 99 HB2 ARG 99 13.873 -4.241 1.230 10 HB3 ARG 99 HB1 ARG 99 14.642 -2.999 0.257 11 HG2 ARG 99 HG2 ARG 99 15.499 -2.961 2.517 12 HG3 ARG 99 HG1 ARG 99 14.608 -1.478 2.176 13 HD2 ARG 99 HD2 ARG 99 13.457 -3.861 3.623 14 HD3 ARG 99 HD1 ARG 99 14.163 -2.456 4.429 15 HE ARG 99 HE ARG 99 11.550 -2.657 3.376 16 HH11 ARG 99 HH11 ARG 99 14.198 -0.405 3.704 17 HH12 ARG 99 HH12 ARG 99 13.181 0.994 3.613 18 HH21 ARG 99 HH21 ARG 99 10.214 -0.817 3.264 19 HH22 ARG 99 HH22 ARG 99 10.921 0.761 3.366 20 H GLY 100 HN GLY 100 14.481 -1.147 -0.061 21 HA2 GLY 100 HA2 GLY 100 14.123 1.107 -1.003 22 HA3 GLY 100 HA1 GLY 100 12.879 1.323 0.221 23 H TRP 101 HN TRP 101 16.325 0.505 -0.028 24 HA TRP 101 HA TRP 101 16.950 1.386 2.594 25 HB2 TRP 101 HB2 TRP 101 18.799 0.949 0.249 26 HB3 TRP 101 HB1 TRP 101 19.262 1.012 1.949 27 HD1 TRP 101 HD1 TRP 101 17.837 -1.005 3.445 28 HE1 TRP 101 HE1 TRP 101 17.558 -3.478 2.758 29 HE3 TRP 101 HE3 TRP 101 18.752 -0.500 -1.480 30 HZ2 TRP 101 HZ2 TRP 101 17.709 -4.997 0.368 31 HZ3 TRP 101 HZ3 TRP 101 18.675 -2.478 -2.943 32 HH2 TRP 101 HH2 TRP 101 18.171 -4.689 -2.036 33 H GLY 102 HN GLY 102 19.013 2.710 0.144 34 HA2 GLY 102 HA2 GLY 102 19.285 4.922 -0.580 35 HA3 GLY 102 HA1 GLY 102 17.928 5.398 0.441 36 H ASN 103 HN ASN 103 18.845 4.076 2.769 37 HA ASN 103 HA ASN 103 20.518 6.058 3.900 38 HB2 ASN 103 HB2 ASN 103 20.425 4.593 5.913 39 HB3 ASN 103 HB1 ASN 103 18.844 4.984 5.256 40 HD21 ASN 103 HD21 ASN 103 20.083 2.737 3.141 41 HD22 ASN 103 HD22 ASN 103 19.451 1.311 3.859 42 H GLY 104 HN GLY 104 21.279 3.488 1.931 43 HA2 GLY 104 HA2 GLY 104 23.218 2.414 1.418 44 HA3 GLY 104 HA1 GLY 104 24.042 3.745 2.223 45 H CYS 105 HN CYS 105 21.802 1.371 3.565 46 HA CYS 105 HA CYS 105 23.927 0.512 5.409 47 HB2 CYS 105 HB2 CYS 105 20.923 0.453 5.787 48 HB3 CYS 105 HB1 CYS 105 22.108 -0.123 6.955 49 HG CYS 105 HG CYS 105 21.825 2.884 6.200 50 H GLY 106 HN GLY 106 21.445 -0.506 3.165 51 HA2 GLY 106 HA2 GLY 106 22.347 -3.298 3.526 52 HA3 GLY 106 HA1 GLY 106 20.723 -2.854 3.015 53 H LEU 107 HN LEU 107 21.935 -0.674 1.321 54 HA LEU 107 HA LEU 107 23.662 -1.638 -0.595 55 HB2 LEU 107 HB2 LEU 107 22.081 -3.381 -1.085 56 HB3 LEU 107 HB1 LEU 107 20.774 -2.228 -1.204 57 HG LEU 107 HG LEU 107 21.729 -1.314 -3.251 58 HD11 LEU 107 HD11 LEU 107 24.115 -2.256 -2.379 59 HD12 LEU 107 HD12 LEU 107 23.784 -1.780 -4.043 60 HD13 LEU 107 HD13 LEU 107 23.691 -3.478 -3.577 61 HD21 LEU 107 HD21 LEU 107 20.751 -2.885 -4.509 62 HD22 LEU 107 HD22 LEU 107 20.426 -3.691 -2.974 63 HD23 LEU 107 HD23 LEU 107 21.830 -4.155 -3.935 64 H PHE 108 HN PHE 108 23.935 -0.198 -2.347 65 HA PHE 108 HA PHE 108 23.821 1.775 -3.481 66 HB2 PHE 108 HB2 PHE 108 21.169 2.203 -2.094 67 HB3 PHE 108 HB1 PHE 108 21.781 3.105 -3.472 68 HD1 PHE 108 HD1 PHE 108 22.605 1.416 -5.432 69 HD2 PHE 108 HD2 PHE 108 19.556 0.721 -2.555 70 HE1 PHE 108 HE1 PHE 108 21.548 -0.200 -6.952 71 HE2 PHE 108 HE2 PHE 108 18.489 -0.896 -4.070 72 HZ PHE 108 HZ PHE 108 19.496 -1.345 -6.257 73 H GLY 109 HN GLY 109 25.373 1.663 -1.259 74 HA2 GLY 109 HA2 GLY 109 26.153 4.135 -0.658 75 HA3 GLY 109 HA1 GLY 109 24.770 3.973 0.411 76 H LYS 110 HN LYS 110 25.253 1.111 0.885 77 HA LYS 110 HA LYS 110 26.800 1.290 3.191 78 HB2 LYS 110 HB2 LYS 110 26.763 -1.157 3.235 79 HB3 LYS 110 HB1 LYS 110 25.181 -0.497 2.841 80 HG2 LYS 110 HG2 LYS 110 25.533 -0.996 0.492 81 HG3 LYS 110 HG1 LYS 110 27.151 -1.604 0.850 82 HD2 LYS 110 HD2 LYS 110 26.195 -3.355 2.248 83 HD3 LYS 110 HD1 LYS 110 24.574 -2.736 1.931 84 HE2 LYS 110 HE2 LYS 110 25.065 -4.671 0.528 85 HE3 LYS 110 HE1 LYS 110 24.852 -3.218 -0.448 86 HZ1 LYS 110 HZ1 LYS 110 26.816 -4.770 -0.949 87 HZ2 LYS 110 HZ2 LYS 110 27.544 -4.064 0.405 88 HZ3 LYS 110 HZ3 LYS 110 27.099 -3.102 -0.912 89 H GLY 111 HN GLY 111 27.744 0.778 -0.088 90 HA2 GLY 111 HA2 GLY 111 30.283 1.472 -0.106 91 HA3 GLY 111 HA1 GLY 111 30.425 -0.089 0.688 92 H GLY 112 HN GLY 112 30.684 -1.831 -0.557 93 HA2 GLY 112 HA2 GLY 112 29.779 -1.698 -3.355 94 HA3 GLY 112 HA1 GLY 112 31.439 -2.146 -2.999 Start of MODEL 18 1 H1 ASP 98 HT1 ASP 98 9.406 -5.809 0.545 2 H2 ASP 98 HT2 ASP 98 10.177 -4.320 0.180 3 H3 ASP 98 HT3 ASP 98 8.950 -4.382 1.378 4 HA ASP 98 HA ASP 98 10.357 -5.893 2.657 5 HB2 ASP 98 HB2 ASP 98 12.377 -5.055 0.562 6 HB3 ASP 98 HB1 ASP 98 12.747 -5.968 2.022 7 H ARG 99 HN ARG 99 11.964 -3.132 1.069 8 HA ARG 99 HA ARG 99 11.449 -1.444 3.352 9 HB2 ARG 99 HB2 ARG 99 13.426 -2.608 4.114 10 HB3 ARG 99 HB1 ARG 99 14.256 -2.258 2.608 11 HG2 ARG 99 HG2 ARG 99 15.059 -0.817 4.372 12 HG3 ARG 99 HG1 ARG 99 14.216 0.132 3.150 13 HD2 ARG 99 HD2 ARG 99 12.969 -0.818 5.726 14 HD3 ARG 99 HD1 ARG 99 13.691 0.778 5.503 15 HE ARG 99 HE ARG 99 11.100 -0.022 4.714 16 HH11 ARG 99 HH11 ARG 99 13.797 1.930 3.662 17 HH12 ARG 99 HH12 ARG 99 12.820 2.970 2.681 18 HH21 ARG 99 HH21 ARG 99 9.816 1.349 3.430 19 HH22 ARG 99 HH22 ARG 99 10.561 2.643 2.551 20 H GLY 100 HN GLY 100 14.148 -1.055 1.164 21 HA2 GLY 100 HA2 GLY 100 13.810 0.109 -1.010 22 HA3 GLY 100 HA1 GLY 100 12.658 1.131 -0.160 23 H TRP 101 HN TRP 101 16.025 0.052 0.200 24 HA TRP 101 HA TRP 101 16.836 2.369 1.616 25 HB2 TRP 101 HB2 TRP 101 18.538 0.351 0.153 26 HB3 TRP 101 HB1 TRP 101 19.081 1.465 1.407 27 HD1 TRP 101 HD1 TRP 101 17.568 1.038 3.833 28 HE1 TRP 101 HE1 TRP 101 17.082 -1.250 4.922 29 HE3 TRP 101 HE3 TRP 101 18.316 -1.863 -0.211 30 HZ2 TRP 101 HZ2 TRP 101 17.024 -3.967 4.104 31 HZ3 TRP 101 HZ3 TRP 101 18.037 -4.303 -0.031 32 HH2 TRP 101 HH2 TRP 101 17.409 -5.339 2.090 33 H GLY 102 HN GLY 102 18.885 1.591 -1.068 34 HA2 GLY 102 HA2 GLY 102 19.306 2.765 -3.052 35 HA3 GLY 102 HA1 GLY 102 18.028 3.903 -2.621 36 H ASN 103 HN ASN 103 18.923 4.352 0.025 37 HA ASN 103 HA ASN 103 20.782 6.446 -0.374 38 HB2 ASN 103 HB2 ASN 103 20.658 6.656 2.106 39 HB3 ASN 103 HB1 ASN 103 19.088 6.658 1.320 40 HD21 ASN 103 HD21 ASN 103 20.062 3.482 1.205 41 HD22 ASN 103 HD22 ASN 103 19.349 2.926 2.666 42 H GLY 104 HN GLY 104 21.275 3.160 -0.165 43 HA2 GLY 104 HA2 GLY 104 23.112 1.863 0.174 44 HA3 GLY 104 HA1 GLY 104 24.059 3.327 -0.064 45 H CYS 105 HN CYS 105 21.701 2.647 2.462 46 HA CYS 105 HA CYS 105 23.836 2.992 4.455 47 HB2 CYS 105 HB2 CYS 105 22.093 4.714 4.562 48 HB3 CYS 105 HB1 CYS 105 20.858 3.469 4.717 49 HG CYS 105 HG CYS 105 22.415 4.641 6.977 50 H GLY 106 HN GLY 106 21.203 0.973 3.361 51 HA2 GLY 106 HA2 GLY 106 21.887 -0.968 5.484 52 HA3 GLY 106 HA1 GLY 106 20.285 -0.826 4.771 53 H LEU 107 HN LEU 107 21.596 -0.405 2.088 54 HA LEU 107 HA LEU 107 23.162 -2.536 1.313 55 HB2 LEU 107 HB2 LEU 107 21.421 -4.022 2.057 56 HB3 LEU 107 HB1 LEU 107 20.213 -3.124 1.170 57 HG LEU 107 HG LEU 107 21.171 -3.872 -0.945 58 HD11 LEU 107 HD11 LEU 107 23.488 -4.249 0.450 59 HD12 LEU 107 HD12 LEU 107 23.164 -4.876 -1.165 60 HD13 LEU 107 HD13 LEU 107 22.910 -5.902 0.246 61 HD21 LEU 107 HD21 LEU 107 21.003 -6.467 0.366 62 HD22 LEU 107 HD22 LEU 107 19.973 -5.753 -0.875 63 HD23 LEU 107 HD23 LEU 107 19.702 -5.369 0.825 64 H PHE 108 HN PHE 108 23.456 -2.647 -0.957 65 HA PHE 108 HA PHE 108 23.447 -1.903 -3.110 66 HB2 PHE 108 HB2 PHE 108 20.921 -0.408 -2.388 67 HB3 PHE 108 HB1 PHE 108 21.532 -0.695 -4.008 68 HD1 PHE 108 HD1 PHE 108 22.113 -3.334 -4.346 69 HD2 PHE 108 HD2 PHE 108 19.154 -1.651 -1.804 70 HE1 PHE 108 HE1 PHE 108 20.841 -5.434 -4.448 71 HE2 PHE 108 HE2 PHE 108 17.872 -3.747 -1.899 72 HZ PHE 108 HZ PHE 108 18.728 -5.623 -3.220 73 H GLY 109 HN GLY 109 25.022 -0.643 -1.206 74 HA2 GLY 109 HA2 GLY 109 26.061 1.519 -2.425 75 HA3 GLY 109 HA1 GLY 109 24.731 2.223 -1.523 76 H LYS 110 HN LYS 110 25.001 0.372 0.730 77 HA LYS 110 HA LYS 110 26.703 1.859 2.349 78 HB2 LYS 110 HB2 LYS 110 26.465 0.072 4.006 79 HB3 LYS 110 HB1 LYS 110 24.922 0.474 3.263 80 HG2 LYS 110 HG2 LYS 110 25.074 -1.488 1.839 81 HG3 LYS 110 HG1 LYS 110 26.650 -1.881 2.531 82 HD2 LYS 110 HD2 LYS 110 25.630 -2.146 4.730 83 HD3 LYS 110 HD1 LYS 110 24.056 -1.717 4.060 84 HE2 LYS 110 HE2 LYS 110 24.276 -4.134 4.308 85 HE3 LYS 110 HE1 LYS 110 24.133 -3.683 2.611 86 HZ1 LYS 110 HZ1 LYS 110 26.539 -3.888 2.400 87 HZ2 LYS 110 HZ2 LYS 110 25.848 -5.342 2.923 88 HZ3 LYS 110 HZ3 LYS 110 26.659 -4.347 4.025 89 H GLY 111 HN GLY 111 27.423 -0.706 0.177 90 HA2 GLY 111 HA2 GLY 111 29.973 -1.346 1.398 91 HA3 GLY 111 HA1 GLY 111 29.333 -2.017 -0.094 92 H GLY 112 HN GLY 112 32.005 -0.910 0.566 93 HA2 GLY 112 HA2 GLY 112 33.620 0.208 -0.637 94 HA3 GLY 112 HA1 GLY 112 32.405 0.523 -1.866 Start of MODEL 19 1 H1 ASP 98 HT1 ASP 98 13.379 -5.045 -1.798 2 H2 ASP 98 HT2 ASP 98 12.636 -3.614 -2.388 3 H3 ASP 98 HT3 ASP 98 12.359 -5.115 -3.174 4 HA ASP 98 HA ASP 98 10.469 -4.768 -1.968 5 HB2 ASP 98 HB2 ASP 98 12.358 -6.445 -0.295 6 HB3 ASP 98 HB1 ASP 98 10.600 -6.507 -0.213 7 H ARG 99 HN ARG 99 13.337 -3.940 -0.101 8 HA ARG 99 HA ARG 99 11.821 -2.820 2.071 9 HB2 ARG 99 HB2 ARG 99 13.954 -3.844 2.559 10 HB3 ARG 99 HB1 ARG 99 14.771 -2.767 1.439 11 HG2 ARG 99 HG2 ARG 99 15.183 -2.068 3.708 12 HG3 ARG 99 HG1 ARG 99 14.198 -0.860 2.883 13 HD2 ARG 99 HD2 ARG 99 13.106 -3.007 4.700 14 HD3 ARG 99 HD1 ARG 99 13.466 -1.354 5.212 15 HE ARG 99 HE ARG 99 11.138 -2.235 3.875 16 HH11 ARG 99 HH11 ARG 99 13.366 0.450 4.006 17 HH12 ARG 99 HH12 ARG 99 12.214 1.595 3.407 18 HH21 ARG 99 HH21 ARG 99 9.623 -0.728 3.094 19 HH22 ARG 99 HH22 ARG 99 10.088 0.929 2.892 20 H GLY 100 HN GLY 100 14.487 -1.104 0.600 21 HA2 GLY 100 HA2 GLY 100 13.875 0.785 -0.981 22 HA3 GLY 100 HA1 GLY 100 12.695 1.218 0.250 23 H TRP 101 HN TRP 101 16.099 0.239 0.357 24 HA TRP 101 HA TRP 101 16.765 1.945 2.489 25 HB2 TRP 101 HB2 TRP 101 18.589 0.682 0.443 26 HB3 TRP 101 HB1 TRP 101 19.070 1.306 2.019 27 HD1 TRP 101 HD1 TRP 101 17.658 -0.040 4.126 28 HE1 TRP 101 HE1 TRP 101 17.269 -2.585 4.319 29 HE3 TRP 101 HE3 TRP 101 18.379 -1.251 -0.706 30 HZ2 TRP 101 HZ2 TRP 101 17.265 -4.820 2.570 31 HZ3 TRP 101 HZ3 TRP 101 18.172 -3.597 -1.420 32 HH2 TRP 101 HH2 TRP 101 17.632 -5.353 0.189 33 H GLY 102 HN GLY 102 18.865 2.299 -0.249 34 HA2 GLY 102 HA2 GLY 102 19.235 4.143 -1.650 35 HA3 GLY 102 HA1 GLY 102 17.915 4.990 -0.843 36 H ASN 103 HN ASN 103 18.800 4.449 1.790 37 HA ASN 103 HA ASN 103 20.588 6.604 2.217 38 HB2 ASN 103 HB2 ASN 103 20.429 5.896 4.600 39 HB3 ASN 103 HB1 ASN 103 18.867 6.137 3.834 40 HD21 ASN 103 HD21 ASN 103 19.962 3.248 2.598 41 HD22 ASN 103 HD22 ASN 103 19.248 2.180 3.738 42 H GLY 104 HN GLY 104 21.191 3.497 1.206 43 HA2 GLY 104 HA2 GLY 104 23.060 2.201 1.107 44 HA3 GLY 104 HA1 GLY 104 23.964 3.674 1.438 45 H CYS 105 HN CYS 105 21.604 1.974 3.440 46 HA CYS 105 HA CYS 105 23.681 1.665 5.502 47 HB2 CYS 105 HB2 CYS 105 21.870 3.175 6.175 48 HB3 CYS 105 HB1 CYS 105 20.682 1.924 5.829 49 HG CYS 105 HG CYS 105 20.943 1.406 8.213 50 H GLY 106 HN GLY 106 21.118 0.113 3.694 51 HA2 GLY 106 HA2 GLY 106 21.858 -2.451 4.965 52 HA3 GLY 106 HA1 GLY 106 20.260 -2.107 4.315 53 H LEU 107 HN LEU 107 21.599 -0.678 2.020 54 HA LEU 107 HA LEU 107 23.253 -2.304 0.543 55 HB2 LEU 107 HB2 LEU 107 21.588 -4.035 0.632 56 HB3 LEU 107 HB1 LEU 107 20.336 -2.924 0.131 57 HG LEU 107 HG LEU 107 21.326 -2.771 -2.092 58 HD11 LEU 107 HD11 LEU 107 23.326 -3.642 -2.697 59 HD12 LEU 107 HD12 LEU 107 23.185 -5.013 -1.596 60 HD13 LEU 107 HD13 LEU 107 23.671 -3.433 -0.982 61 HD21 LEU 107 HD21 LEU 107 21.210 -5.425 -2.491 62 HD22 LEU 107 HD22 LEU 107 19.786 -4.408 -2.263 63 HD23 LEU 107 HD23 LEU 107 20.446 -5.320 -0.904 64 H PHE 108 HN PHE 108 23.593 -1.526 -1.577 65 HA PHE 108 HA PHE 108 23.570 -0.027 -3.293 66 HB2 PHE 108 HB2 PHE 108 20.930 0.926 -2.168 67 HB3 PHE 108 HB1 PHE 108 21.585 1.313 -3.752 68 HD1 PHE 108 HD1 PHE 108 22.336 -0.932 -5.065 69 HD2 PHE 108 HD2 PHE 108 19.277 -0.582 -2.136 70 HE1 PHE 108 HE1 PHE 108 21.222 -2.912 -6.001 71 HE2 PHE 108 HE2 PHE 108 18.153 -2.561 -3.067 72 HZ PHE 108 HZ PHE 108 19.137 -3.712 -4.992 73 H GLY 109 HN GLY 109 25.168 0.557 -1.243 74 HA2 GLY 109 HA2 GLY 109 26.031 3.044 -1.425 75 HA3 GLY 109 HA1 GLY 109 24.637 3.303 -0.389 76 H LYS 110 HN LYS 110 25.040 0.671 0.938 77 HA LYS 110 HA LYS 110 26.534 1.531 3.130 78 HB2 LYS 110 HB2 LYS 110 26.420 -0.787 3.918 79 HB3 LYS 110 HB1 LYS 110 24.868 -0.233 3.307 80 HG2 LYS 110 HG2 LYS 110 25.262 -1.422 1.212 81 HG3 LYS 110 HG1 LYS 110 26.823 -1.977 1.822 82 HD2 LYS 110 HD2 LYS 110 25.697 -3.152 3.644 83 HD3 LYS 110 HD1 LYS 110 24.136 -2.585 3.050 84 HE2 LYS 110 HE2 LYS 110 24.561 -4.883 2.348 85 HE3 LYS 110 HE1 LYS 110 24.485 -3.800 0.959 86 HZ1 LYS 110 HZ1 LYS 110 27.012 -4.696 2.233 87 HZ2 LYS 110 HZ2 LYS 110 26.855 -3.813 0.800 88 HZ3 LYS 110 HZ3 LYS 110 26.329 -5.420 0.864 89 H GLY 111 HN GLY 111 27.559 0.151 0.158 90 HA2 GLY 111 HA2 GLY 111 30.305 0.572 0.775 91 HA3 GLY 111 HA1 GLY 111 29.914 -1.140 0.819 92 H GLY 112 HN GLY 112 31.762 -0.411 -0.959 93 HA2 GLY 112 HA2 GLY 112 30.626 0.274 -3.512 94 HA3 GLY 112 HA1 GLY 112 32.286 -0.212 -3.205 Start of MODEL 20 1 H1 ASP 98 HT1 ASP 98 12.687 -3.845 -1.992 2 H2 ASP 98 HT2 ASP 98 12.280 -5.374 -2.657 3 H3 ASP 98 HT3 ASP 98 13.236 -5.281 -1.234 4 HA ASP 98 HA ASP 98 10.386 -4.717 -1.599 5 HB2 ASP 98 HB2 ASP 98 11.995 -6.416 0.325 6 HB3 ASP 98 HB1 ASP 98 10.238 -6.283 0.311 7 H ARG 99 HN ARG 99 13.257 -3.895 0.221 8 HA ARG 99 HA ARG 99 11.806 -2.508 2.282 9 HB2 ARG 99 HB2 ARG 99 13.890 -3.584 2.863 10 HB3 ARG 99 HB1 ARG 99 14.753 -2.655 1.650 11 HG2 ARG 99 HG2 ARG 99 15.203 -1.773 3.848 12 HG3 ARG 99 HG1 ARG 99 14.281 -0.599 2.910 13 HD2 ARG 99 HD2 ARG 99 13.080 -2.511 4.913 14 HD3 ARG 99 HD1 ARG 99 13.526 -0.840 5.273 15 HE ARG 99 HE ARG 99 11.156 -1.715 4.012 16 HH11 ARG 99 HH11 ARG 99 13.521 0.851 3.908 17 HH12 ARG 99 HH12 ARG 99 12.430 1.995 3.203 18 HH21 ARG 99 HH21 ARG 99 9.720 -0.207 3.091 19 HH22 ARG 99 HH22 ARG 99 10.273 1.397 2.742 20 H GLY 100 HN GLY 100 14.545 -1.072 0.654 21 HA2 GLY 100 HA2 GLY 100 14.045 0.688 -1.093 22 HA3 GLY 100 HA1 GLY 100 12.856 1.280 0.060 23 H TRP 101 HN TRP 101 16.240 0.230 0.275 24 HA TRP 101 HA TRP 101 16.921 2.090 2.278 25 HB2 TRP 101 HB2 TRP 101 18.739 0.610 0.377 26 HB3 TRP 101 HB1 TRP 101 19.212 1.352 1.904 27 HD1 TRP 101 HD1 TRP 101 17.709 0.226 4.084 28 HE1 TRP 101 HE1 TRP 101 17.260 -2.285 4.483 29 HE3 TRP 101 HE3 TRP 101 18.527 -1.411 -0.604 30 HZ2 TRP 101 HZ2 TRP 101 17.251 -4.662 2.933 31 HZ3 TRP 101 HZ3 TRP 101 18.288 -3.805 -1.120 32 HH2 TRP 101 HH2 TRP 101 17.668 -5.405 0.618 33 H GLY 102 HN GLY 102 19.070 2.154 -0.445 34 HA2 GLY 102 HA2 GLY 102 19.514 3.859 -1.991 35 HA3 GLY 102 HA1 GLY 102 18.194 4.800 -1.294 36 H ASN 103 HN ASN 103 19.003 4.485 1.397 37 HA ASN 103 HA ASN 103 20.822 6.634 1.678 38 HB2 ASN 103 HB2 ASN 103 20.604 6.134 4.109 39 HB3 ASN 103 HB1 ASN 103 19.063 6.337 3.292 40 HD21 ASN 103 HD21 ASN 103 20.126 3.335 2.330 41 HD22 ASN 103 HD22 ASN 103 19.370 2.380 3.542 42 H GLY 104 HN GLY 104 21.390 3.438 0.957 43 HA2 GLY 104 HA2 GLY 104 23.245 2.117 1.000 44 HA3 GLY 104 HA1 GLY 104 24.164 3.601 1.227 45 H CYS 105 HN CYS 105 21.733 2.151 3.333 46 HA CYS 105 HA CYS 105 23.774 1.966 5.443 47 HB2 CYS 105 HB2 CYS 105 21.985 3.563 5.954 48 HB3 CYS 105 HB1 CYS 105 20.777 2.309 5.697 49 HG CYS 105 HG CYS 105 21.074 2.333 8.204 50 H GLY 106 HN GLY 106 21.224 0.309 3.717 51 HA2 GLY 106 HA2 GLY 106 21.882 -2.148 5.225 52 HA3 GLY 106 HA1 GLY 106 20.304 -1.830 4.516 53 H LEU 107 HN LEU 107 21.704 -0.640 2.126 54 HA LEU 107 HA LEU 107 23.350 -2.429 0.835 55 HB2 LEU 107 HB2 LEU 107 21.637 -4.103 1.052 56 HB3 LEU 107 HB1 LEU 107 20.427 -3.014 0.420 57 HG LEU 107 HG LEU 107 21.469 -3.098 -1.784 58 HD11 LEU 107 HD11 LEU 107 23.454 -4.086 -2.258 59 HD12 LEU 107 HD12 LEU 107 23.252 -5.330 -1.025 60 HD13 LEU 107 HD13 LEU 107 23.771 -3.709 -0.565 61 HD21 LEU 107 HD21 LEU 107 20.464 -5.479 -0.383 62 HD22 LEU 107 HD22 LEU 107 21.293 -5.787 -1.909 63 HD23 LEU 107 HD23 LEU 107 19.901 -4.706 -1.865 64 H PHE 108 HN PHE 108 23.726 -1.873 -1.354 65 HA PHE 108 HA PHE 108 23.765 -0.540 -3.202 66 HB2 PHE 108 HB2 PHE 108 21.155 0.607 -2.194 67 HB3 PHE 108 HB1 PHE 108 21.832 0.819 -3.801 68 HD1 PHE 108 HD1 PHE 108 22.523 -1.578 -4.873 69 HD2 PHE 108 HD2 PHE 108 19.435 -0.818 -2.057 70 HE1 PHE 108 HE1 PHE 108 21.344 -3.596 -5.632 71 HE2 PHE 108 HE2 PHE 108 18.245 -2.834 -2.809 72 HZ PHE 108 HZ PHE 108 19.212 -4.210 -4.591 73 H GLY 109 HN GLY 109 25.272 0.165 -1.030 74 HA2 GLY 109 HA2 GLY 109 26.251 2.608 -1.501 75 HA3 GLY 109 HA1 GLY 109 24.862 2.995 -0.500 76 H LYS 110 HN LYS 110 25.149 0.533 1.104 77 HA LYS 110 HA LYS 110 26.702 1.545 3.185 78 HB2 LYS 110 HB2 LYS 110 26.490 -0.665 4.219 79 HB3 LYS 110 HB1 LYS 110 24.960 -0.116 3.552 80 HG2 LYS 110 HG2 LYS 110 25.276 -1.549 1.610 81 HG3 LYS 110 HG1 LYS 110 26.832 -2.084 2.251 82 HD2 LYS 110 HD2 LYS 110 25.712 -3.022 4.205 83 HD3 LYS 110 HD1 LYS 110 24.156 -2.465 3.590 84 HE2 LYS 110 HE2 LYS 110 24.482 -4.837 3.125 85 HE3 LYS 110 HE1 LYS 110 24.410 -3.904 1.632 86 HZ1 LYS 110 HZ1 LYS 110 26.907 -4.829 2.950 87 HZ2 LYS 110 HZ2 LYS 110 26.807 -3.985 1.487 88 HZ3 LYS 110 HZ3 LYS 110 26.188 -5.555 1.600 89 H GLY 111 HN GLY 111 27.640 -0.207 0.382 90 HA2 GLY 111 HA2 GLY 111 30.399 0.189 0.880 91 HA3 GLY 111 HA1 GLY 111 29.967 -1.479 1.222 92 H GLY 112 HN GLY 112 29.678 1.006 -1.306 93 HA2 GLY 112 HA2 GLY 112 30.453 0.682 -3.527 94 HA3 GLY 112 HA1 GLY 112 30.340 -1.055 -3.284