NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
589290 | 2mo5 | 19921 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign ( resid -4 and name HA ) ( resid -4 and name HB3 ) 2.99 1.39 0 !#SUP 1.55 HIS HIS assign ( resid -4 and name HA ) ( resid -3 and name QQG ) 4.91 3.31 0 !#SUP 2.6 HIS VAL assign ( resid -4 and name HB2 ) ( resid -3 and name HB ) 4.73 3.13 0 !#SUP 2.38 HIS VAL assign ( resid -4 and name HB3 ) ( resid -3 and name HB ) 4.87 3.27 0 !#SUP 2.43 HIS VAL assign ( resid -3 and name HA ) ( resid -3 and name QQG ) 3.38 1.78 0 !#SUP 3.62 VAL VAL assign ( resid -3 and name HN ) ( resid -3 and name HB ) 3.33 1.73 0 !#SUP 2.91 VAL VAL assign ( resid -3 and name HN ) ( resid -3 and name QQG ) 3.38 1.78 0 !#SUP 3.65 VAL VAL assign ( resid -3 and name HA ) ( resid -2 and name HN ) 2.61 1.01 0 !#SUP 3.08 VAL GLY assign ( resid -3 and name HB ) ( resid -2 and name HN ) 4.03 2.43 0 !#SUP 3.75 VAL GLY assign ( resid -3 and name QQG ) ( resid -2 and name HN ) 3.75 2.15 0 !#SUP 5.32 VAL GLY assign ( resid -3 and name QQG ) ( resid -2 and name HA2 ) 5.5 3.9 0 !#SUP 4.62 VAL GLY assign ( resid -3 and name QQG ) ( resid -1 and name HN ) 4.6 3 0 !#SUP 6.41 VAL THR assign ( resid -3 and name QQG ) ( resid -1 and name HB ) 4.65 3.05 0 !#SUP 3.67 VAL THR assign ( resid -3 and name QQG ) ( resid -1 and name HG2* ) 4.89 3.29 0 !#SUP 4.86 VAL THR assign ( resid -3 and name QQG ) ( resid 0 and name HN ) 5.41 3.81 0 !#SUP 3.94 VAL GLN assign ( resid -3 and name QQG ) ( resid 0 and name HE21 ) 5.5 3.9 0 !#SUP 1.7 VAL GLN assign ( resid -2 and name HA2 ) ( resid -1 and name HG2* ) 4.85 3.25 0 !#SUP 3.86 GLY THR assign ( resid -2 and name HA3 ) ( resid -1 and name HN ) 3.38 1.78 0 !#SUP 5.18 GLY THR assign ( resid -2 and name HA3 ) ( resid -1 and name HG2* ) 5.5 3.9 0 !#SUP 4.31 GLY THR assign ( resid -2 and name HN ) ( resid -1 and name HA ) 5.4 3.8 0 !#SUP 2.38 GLY THR assign ( resid -2 and name HN ) ( resid -1 and name HN ) 3.91 2.31 0 !#SUP 5.54 GLY THR assign ( resid -1 and name HA ) ( resid -1 and name HG2* ) 3.34 1.74 0 !#SUP 5.5 THR THR assign ( resid -1 and name HN ) ( resid -1 and name HG2* ) 3.42 1.82 0 !#SUP 6.55 THR THR assign ( resid -1 and name HA ) ( resid 0 and name HN ) 2.92 1.32 0 !#SUP 6.67 THR GLN assign ( resid -1 and name HA ) ( resid 0 and name HG* ) 4.81 3.21 0 !#SUP 5.96 THR GLN assign ( resid -1 and name HA ) ( resid 0 and name HB2 ) 5.5 3.9 0 !#SUP 5.41 THR GLN assign ( resid -1 and name HB ) ( resid 0 and name HN ) 4.5 2.9 0 !#SUP 5.12 THR GLN assign ( resid -1 and name HG2* ) ( resid 0 and name HG* ) 5.5 3.9 0 !#SUP 5.49 THR GLN assign ( resid -1 and name HG2* ) ( resid 0 and name HN ) 4.09 2.49 0 !#SUP 6.3 THR GLN assign ( resid -1 and name HN ) ( resid 0 and name HG* ) 4.79 3.19 0 !#SUP 5.94 THR GLN assign ( resid -1 and name HN ) ( resid 0 and name HN ) 3.24 1.64 0 !#SUP 6.9 THR GLN assign ( resid -1 and name HA ) ( resid 3 and name HB3 ) 4.88 3.28 0 !#SUP 2.46 THR ASP assign ( resid -1 and name HG2* ) ( resid 3 and name HB3 ) 5.5 3.9 0 !#SUP 1.5 THR ASP assign ( resid 0 and name HA ) ( resid 0 and name HE21 ) 4.75 3.15 0 !#SUP 6.03 GLN GLN assign ( resid 0 and name HA ) ( resid 0 and name HG* ) 3.33 1.73 0 !#SUP 6.79 GLN GLN assign ( resid 0 and name HB2 ) ( resid 0 and name HE21 ) 4.11 2.51 0 !#SUP 6.78 GLN GLN assign ( resid 0 and name HB2 ) ( resid 0 and name HE22 ) 4.55 2.95 0 !#SUP 5.27 GLN GLN assign ( resid 0 and name HB2 ) ( resid 0 and name HG* ) 2.99 1.39 0 !#SUP 8.04 GLN GLN assign ( resid 0 and name HB3 ) ( resid 0 and name HE21 ) 4.1 2.5 0 !#SUP 6.49 GLN GLN assign ( resid 0 and name HB3 ) ( resid 0 and name HE22 ) 4.68 3.08 0 !#SUP 5.17 GLN GLN assign ( resid 0 and name HB3 ) ( resid 0 and name HG* ) 2.95 1.35 0 !#SUP 7.26 GLN GLN assign ( resid 0 and name HG* ) ( resid 0 and name HE21 ) 3.66 2.06 0 !#SUP 7.18 GLN GLN assign ( resid 0 and name HN ) ( resid 0 and name HE22 ) 5.5 3.9 0 !#SUP 6.12 GLN GLN assign ( resid 0 and name HN ) ( resid 0 and name HE21 ) 5.41 3.81 0 !#SUP 7.55 GLN GLN assign ( resid 0 and name HN ) ( resid 0 and name HG* ) 3.43 1.83 0 !#SUP 9.01 GLN GLN assign ( resid 0 and name HN ) ( resid 0 and name HB2 ) 3.29 1.69 0 !#SUP 8.31 GLN GLN assign ( resid 0 and name HN ) ( resid 0 and name HB3 ) 3.83 2.23 0 !#SUP 7.79 GLN GLN assign ( resid 0 and name HA ) ( resid 1 and name HN ) 2.97 1.37 0 !#SUP 6.14 GLN ALA assign ( resid 0 and name HA ) ( resid 1 and name HB* ) 4.96 3.36 0 !#SUP 4.21 GLN ALA assign ( resid 0 and name HB2 ) ( resid 1 and name HN ) 4.04 2.44 0 !#SUP 6.1 GLN ALA assign ( resid 0 and name HB3 ) ( resid 1 and name HN ) 3.69 2.09 0 !#SUP 7.35 GLN ALA assign ( resid 0 and name HB3 ) ( resid 1 and name HA ) 5.5 3.9 0 !#SUP 5.56 GLN ALA assign ( resid 0 and name HE21 ) ( resid 1 and name HN ) 5.5 3.9 0 !#SUP 5.66 GLN ALA assign ( resid 0 and name HG* ) ( resid 1 and name HN ) 4.14 2.54 0 !#SUP 6.1 GLN ALA assign ( resid 0 and name HA ) ( resid 2 and name HN ) 4.56 2.96 0 !#SUP 5.69 GLN PHE assign ( resid 0 and name HB2 ) ( resid 2 and name HN ) 5.26 3.66 0 !#SUP 5.17 GLN PHE assign ( resid 0 and name HB3 ) ( resid 2 and name HN ) 5.08 3.48 0 !#SUP 6.95 GLN PHE assign ( resid 0 and name HB3 ) ( resid 2 and name HB* ) 5.5 3.9 0 !#SUP 2.94 GLN PHE assign ( resid 0 and name HG* ) ( resid 2 and name HN ) 5.5 3.9 0 !#SUP 3.7 GLN PHE assign ( resid 0 and name HA ) ( resid 3 and name HN ) 5.28 3.68 0 !#SUP 6.16 GLN ASP assign ( resid 0 and name HB2 ) ( resid 3 and name HN ) 5.41 3.81 0 !#SUP 7.87 GLN ASP assign ( resid 0 and name HB2 ) ( resid 3 and name HA ) 5.24 3.64 0 !#SUP 2.31 GLN ASP assign ( resid 0 and name HB3 ) ( resid 3 and name HN ) 5.11 3.51 0 !#SUP 8.54 GLN ASP assign ( resid 0 and name HE21 ) ( resid 3 and name HN ) 4.38 2.78 0 !#SUP 6.24 GLN ASP assign ( resid 0 and name HE21 ) ( resid 3 and name HA ) 5.5 3.9 0 !#SUP 2 GLN ASP assign ( resid 0 and name HE22 ) ( resid 3 and name HN ) 5.23 3.63 0 !#SUP 3.37 GLN ASP assign ( resid 0 and name HN ) ( resid 3 and name HB3 ) 5.46 3.86 0 !#SUP 1.63 GLN ASP assign ( resid 0 and name HE21 ) ( resid 42 and name HB2 ) 5.06 3.46 0 !#SUP 0.75 GLN GLN assign ( resid 0 and name HE22 ) ( resid 42 and name HN ) 5.5 3.9 0 !#SUP 1.74 GLN GLN assign ( resid 0 and name HE22 ) ( resid 42 and name HG2 ) 5.5 3.9 0 !#SUP 1.73 GLN GLN assign ( resid 0 and name HE22 ) ( resid 42 and name HB2 ) 4.78 3.18 0 !#SUP 3.87 GLN GLN assign ( resid 0 and name HE22 ) ( resid 42 and name HB3 ) 4.97 3.37 0 !#SUP 3.87 GLN GLN assign ( resid 0 and name HG* ) ( resid 42 and name HB3 ) 5.26 3.66 0 !#SUP 1.27 GLN GLN assign ( resid 0 and name HG* ) ( resid 42 and name HE22 ) 5.5 3.9 0 !#SUP 0.24 GLN GLN assign ( resid 1 and name HN ) ( resid 1 and name HB* ) 3.02 1.42 0 !#SUP 7.22 ALA ALA assign ( resid 1 and name HA ) ( resid 2 and name HA ) 5.1 3.5 0 !#SUP 4.89 ALA PHE assign ( resid 1 and name HB* ) ( resid 2 and name HN ) 3.96 2.36 0 !#SUP 7.71 ALA PHE assign ( resid 1 and name HB* ) ( resid 2 and name HA ) 5.49 3.89 0 !#SUP 6.28 ALA PHE assign ( resid 1 and name HB* ) ( resid 2 and name HE* ) 5.5 3.9 0 !#SUP 4.12 ALA PHE assign ( resid 1 and name HB* ) ( resid 2 and name HB* ) 5.48 3.88 0 !#SUP 5.44 ALA PHE assign ( resid 1 and name HB* ) ( resid 2 and name HD* ) 3.55 1.95 0 !#SUP 6.41 ALA PHE assign ( resid 1 and name HN ) ( resid 2 and name HA ) 5.5 3.9 0 !#SUP 5.36 ALA PHE assign ( resid 1 and name HN ) ( resid 2 and name HD* ) 5.4 3.8 0 !#SUP 5.44 ALA PHE assign ( resid 1 and name HN ) ( resid 2 and name HE* ) 5.5 3.9 0 !#SUP 4.43 ALA PHE assign ( resid 1 and name HA ) ( resid 3 and name HN ) 4.27 2.67 0 !#SUP 6.52 ALA ASP assign ( resid 1 and name HB* ) ( resid 3 and name HN ) 4.63 3.03 0 !#SUP 8.67 ALA ASP assign ( resid 1 and name HN ) ( resid 3 and name HN ) 4.88 3.28 0 !#SUP 9.9 ALA ASP assign ( resid 1 and name HB* ) ( resid 108 and name HD1* ) 5.23 3.63 0 !#SUP 4.73 ALA ILE assign ( resid 1 and name HB* ) ( resid 108 and name HB ) 4.78 3.18 0 !#SUP 2 ALA ILE assign ( resid 2 and name HA ) ( resid 2 and name HD* ) 3.96 2.36 0 !#SUP 5.76 PHE PHE assign ( resid 2 and name HN ) ( resid 2 and name HD* ) 4 2.4 0 !#SUP 5.39 PHE PHE assign ( resid 2 and name HN ) ( resid 2 and name HB* ) 3.4 1.8 0 !#SUP 4.62 PHE PHE assign ( resid 2 and name HB* ) ( resid 3 and name HN ) 3.87 2.27 0 !#SUP 6.07 PHE ASP assign ( resid 2 and name HD* ) ( resid 3 and name HN ) 5.25 3.65 0 !#SUP 7.43 PHE ASP assign ( resid 2 and name HN ) ( resid 3 and name HN ) 3.14 1.54 0 !#SUP 7.2 PHE ASP assign ( resid 2 and name HN ) ( resid 3 and name HB3 ) 5.5 3.9 0 !#SUP 3.17 PHE ASP assign ( resid 2 and name HA ) ( resid 6 and name HE1 ) 4.39 2.79 0 !#SUP 0.99 PHE TRP assign ( resid 2 and name HD* ) ( resid 6 and name HE1 ) 5.5 3.9 0 !#SUP 0.99 PHE TRP assign ( resid 2 and name HB* ) ( resid 40 and name HB ) 5.24 3.64 0 !#SUP 2.24 PHE ILE assign ( resid 2 and name HB* ) ( resid 40 and name HG2* ) 3.67 2.07 0 !#SUP 3.29 PHE ILE assign ( resid 2 and name HB* ) ( resid 40 and name HD1* ) 3.87 2.27 0 !#SUP 3.09 PHE ILE assign ( resid 2 and name HD* ) ( resid 40 and name HD1* ) 5.32 3.72 0 !#SUP 0.85 PHE ILE assign ( resid 2 and name HB* ) ( resid 106 and name HD3 ) 5.35 3.75 0 !#SUP 0.98 PHE ARG assign ( resid 2 and name HD* ) ( resid 106 and name HD3 ) 5.13 3.53 0 !#SUP 1.5 PHE ARG assign ( resid 2 and name HE* ) ( resid 106 and name HD3 ) 5.37 3.77 0 !#SUP 2.04 PHE ARG assign ( resid 2 and name HE* ) ( resid 107 and name HN ) 5.5 3.9 0 !#SUP 3.04 PHE GLU assign ( resid 2 and name HE* ) ( resid 107 and name HA ) 4.25 2.65 0 !#SUP 3.13 PHE GLU assign ( resid 2 and name HA ) ( resid 108 and name HB ) 5.5 3.9 0 !#SUP 1.98 PHE ILE assign ( resid 2 and name HA ) ( resid 108 and name HD1* ) 4.48 2.88 0 !#SUP 4.31 PHE ILE assign ( resid 2 and name HD* ) ( resid 108 and name HD1* ) 3.87 2.27 0 !#SUP 3 PHE ILE assign ( resid 2 and name HE* ) ( resid 108 and name HN ) 5.09 3.49 0 !#SUP 3.23 PHE ILE assign ( resid 2 and name HE* ) ( resid 108 and name HG12 ) 5.14 3.54 0 !#SUP 2.61 PHE ILE assign ( resid 2 and name HE* ) ( resid 108 and name HG2* ) 4.41 2.81 0 !#SUP 3.22 PHE ILE assign ( resid 2 and name HE* ) ( resid 108 and name HD1* ) 4.28 2.68 0 !#SUP 6.35 PHE ILE assign ( resid 2 and name HN ) ( resid 108 and name HD1* ) 5.45 3.85 0 !#SUP 2.62 PHE ILE assign ( resid 2 and name HB* ) ( resid 113 and name HD1* ) 4.52 2.92 0 !#SUP 2.06 PHE LEU assign ( resid 2 and name HD* ) ( resid 113 and name HG ) 4.8 3.2 0 !#SUP 3.76 PHE LEU assign ( resid 2 and name HD* ) ( resid 113 and name HD2* ) 4.16 2.56 0 !#SUP 2.62 PHE LEU assign ( resid 2 and name HD* ) ( resid 113 and name HD1* ) 3.52 1.92 0 !#SUP 4 PHE LEU assign ( resid 2 and name HE* ) ( resid 113 and name HD1* ) 3.76 2.16 0 !#SUP 3 PHE LEU assign ( resid 3 and name HN ) ( resid 3 and name HB3 ) 3.25 1.65 0 !#SUP 5.47 ASP ASP assign ( resid 3 and name HN ) ( resid 3 and name HB2 ) 3.48 1.88 0 !#SUP 4.7 ASP ASP assign ( resid 3 and name HA ) ( resid 4 and name HN ) 3 1.4 0 !#SUP 4.67 ASP SER assign ( resid 3 and name HA ) ( resid 4 and name HA ) 5.5 3.9 0 !#SUP 3.78 ASP SER assign ( resid 3 and name HB2 ) ( resid 4 and name HN ) 4.43 2.83 0 !#SUP 4.17 ASP SER assign ( resid 3 and name HB3 ) ( resid 4 and name HN ) 4.81 3.21 0 !#SUP 4.75 ASP SER assign ( resid 3 and name HB3 ) ( resid 4 and name HA ) 5.5 3.9 0 !#SUP 3.78 ASP SER assign ( resid 3 and name HN ) ( resid 4 and name HN ) 4.42 2.82 0 !#SUP 4.17 ASP SER assign ( resid 3 and name HA ) ( resid 6 and name HE1 ) 5.16 3.56 0 !#SUP 2.69 ASP TRP assign ( resid 3 and name HN ) ( resid 6 and name HZ2 ) 4.87 3.27 0 !#SUP 0.57 ASP TRP assign ( resid 3 and name HA ) ( resid 40 and name HB ) 3.83 2.23 0 !#SUP 4.6 ASP ILE assign ( resid 3 and name HA ) ( resid 40 and name HG13 ) 5.5 3.9 0 !#SUP 2.56 ASP ILE assign ( resid 3 and name HA ) ( resid 40 and name HG2* ) 4.81 3.21 0 !#SUP 5.84 ASP ILE assign ( resid 3 and name HA ) ( resid 40 and name HN ) 4.87 3.27 0 !#SUP 5.53 ASP ILE assign ( resid 3 and name HN ) ( resid 40 and name HG2* ) 5.31 3.71 0 !#SUP 2.25 ASP ILE assign ( resid 3 and name HB2 ) ( resid 41 and name HA ) 5.5 3.9 0 !#SUP 2.96 ASP THR assign ( resid 3 and name HB3 ) ( resid 41 and name HA ) 4.84 3.24 0 !#SUP 2.96 ASP THR assign ( resid 3 and name HB2 ) ( resid 42 and name HN ) 5.5 3.9 0 !#SUP 2 ASP GLN assign ( resid 3 and name HB3 ) ( resid 42 and name HN ) 5.5 3.9 0 !#SUP 2 ASP GLN assign ( resid 4 and name HN ) ( resid 4 and name HB3 ) 3.94 2.34 0 !#SUP 4.5 SER SER assign ( resid 4 and name HA ) ( resid 5 and name HN ) 2.98 1.38 0 !#SUP 5.9 SER THR assign ( resid 4 and name HA ) ( resid 5 and name HB ) 5.13 3.53 0 !#SUP 3.92 SER THR assign ( resid 4 and name HB2 ) ( resid 5 and name HN ) 3.62 2.02 0 !#SUP 5.82 SER THR assign ( resid 4 and name HB3 ) ( resid 5 and name HN ) 3.61 2.01 0 !#SUP 6.86 SER THR assign ( resid 4 and name HN ) ( resid 5 and name HN ) 4.7 3.1 0 !#SUP 5.8 SER THR assign ( resid 4 and name HA ) ( resid 6 and name HE1 ) 5.44 3.84 0 !#SUP 4.78 SER TRP assign ( resid 4 and name HB2 ) ( resid 6 and name HE1 ) 4.29 2.69 0 !#SUP 4.8 SER TRP assign ( resid 4 and name HB2 ) ( resid 6 and name HZ2 ) 4.12 2.52 0 !#SUP 2.88 SER TRP assign ( resid 4 and name HB3 ) ( resid 6 and name HD1 ) 5.45 3.85 0 !#SUP 4.94 SER TRP assign ( resid 4 and name HB3 ) ( resid 6 and name HE1 ) 4.06 2.46 0 !#SUP 6.53 SER TRP assign ( resid 4 and name HB3 ) ( resid 6 and name HZ2 ) 4.36 2.76 0 !#SUP 3.94 SER TRP assign ( resid 4 and name HB3 ) ( resid 6 and name HA ) 5.5 3.9 0 !#SUP 3.16 SER TRP assign ( resid 4 and name HN ) ( resid 6 and name HE1 ) 3.93 2.33 0 !#SUP 5.26 SER TRP assign ( resid 4 and name HN ) ( resid 6 and name HD1 ) 4.41 2.81 0 !#SUP 3.65 SER TRP assign ( resid 4 and name HN ) ( resid 39 and name HA ) 4.71 3.11 0 !#SUP 5.78 SER THR assign ( resid 4 and name HN ) ( resid 39 and name HG2* ) 4.98 3.38 0 !#SUP 4.14 SER THR assign ( resid 4 and name HA ) ( resid 40 and name HN ) 5.5 3.9 0 !#SUP 2.51 SER ILE assign ( resid 4 and name HN ) ( resid 40 and name HG12 ) 5.15 3.55 0 !#SUP 4.54 SER ILE assign ( resid 4 and name HN ) ( resid 40 and name HN ) 3.78 2.18 0 !#SUP 9.56 SER ILE assign ( resid 4 and name HN ) ( resid 40 and name HB ) 3.42 1.82 0 !#SUP 7.11 SER ILE assign ( resid 4 and name HN ) ( resid 40 and name HG2* ) 4.58 2.98 0 !#SUP 7.78 SER ILE assign ( resid 4 and name HN ) ( resid 40 and name HD1* ) 4.95 3.35 0 !#SUP 5.93 SER ILE assign ( resid 4 and name HN ) ( resid 40 and name HA ) 4.65 3.05 0 !#SUP 4.54 SER ILE assign ( resid 4 and name HA ) ( resid 41 and name HG2* ) 5.02 3.42 0 !#SUP 0.24 SER THR assign ( resid 4 and name HN ) ( resid 41 and name HA ) 5.11 3.51 0 !#SUP 4.37 SER THR assign ( resid 4 and name HB2 ) ( resid 130 and name HE2 ) 5.5 3.9 0 !#SUP 4.75 SER LYS assign ( resid 4 and name HB2 ) ( resid 130 and name HD2 ) 5.5 3.9 0 !#SUP 5.91 SER LYS assign ( resid 4 and name HB2 ) ( resid 130 and name HD3 ) 5.5 3.9 0 !#SUP 4.75 SER LYS assign ( resid 4 and name HB2 ) ( resid 130 and name HG2 ) 5.5 3.9 0 !#SUP 4.75 SER LYS assign ( resid 4 and name HB2 ) ( resid 130 and name HG3 ) 5.04 3.44 0 !#SUP 5.9 SER LYS assign ( resid 4 and name HB3 ) ( resid 130 and name HD3 ) 5.5 3.9 0 !#SUP 4.75 SER LYS assign ( resid 4 and name HB3 ) ( resid 130 and name HD2 ) 5.5 3.9 0 !#SUP 5.91 SER LYS assign ( resid 4 and name HB3 ) ( resid 130 and name HG3 ) 4.98 3.38 0 !#SUP 5.91 SER LYS assign ( resid 4 and name HB3 ) ( resid 130 and name HE2 ) 4.52 2.92 0 !#SUP 4.75 SER LYS assign ( resid 4 and name HB3 ) ( resid 130 and name HG2 ) 5.5 3.9 0 !#SUP 4.75 SER LYS assign ( resid 5 and name HA ) ( resid 5 and name HG2* ) 3.73 2.13 0 !#SUP 4.11 THR THR assign ( resid 5 and name HN ) ( resid 5 and name HB ) 3.22 1.62 0 !#SUP 5.55 THR THR assign ( resid 5 and name HN ) ( resid 5 and name HG2* ) 4.05 2.45 0 !#SUP 5 THR THR assign ( resid 5 and name HA ) ( resid 6 and name HN ) 3.25 1.65 0 !#SUP 6.3 THR TRP assign ( resid 5 and name HA ) ( resid 6 and name HA ) 4.48 2.88 0 !#SUP 5.24 THR TRP assign ( resid 5 and name HA ) ( resid 6 and name HD1 ) 4.1 2.5 0 !#SUP 5.65 THR TRP assign ( resid 5 and name HB ) ( resid 6 and name HN ) 4.83 3.23 0 !#SUP 5.14 THR TRP assign ( resid 5 and name HG2* ) ( resid 6 and name HN ) 3.52 1.92 0 !#SUP 6.17 THR TRP assign ( resid 5 and name HN ) ( resid 6 and name HD1 ) 5.5 3.9 0 !#SUP 6.77 THR TRP assign ( resid 5 and name HN ) ( resid 6 and name HN ) 4.65 3.05 0 !#SUP 6.87 THR TRP assign ( resid 5 and name HN ) ( resid 6 and name HA ) 5.24 3.64 0 !#SUP 6.04 THR TRP assign ( resid 5 and name HG2* ) ( resid 7 and name HN ) 5.5 3.9 0 !#SUP 2.99 THR LYS assign ( resid 5 and name HA ) ( resid 39 and name HA ) 3.4 1.8 0 !#SUP 5.96 THR THR assign ( resid 5 and name HB ) ( resid 39 and name HA ) 5.16 3.56 0 !#SUP 2.62 THR THR assign ( resid 5 and name HA ) ( resid 40 and name HN ) 4.29 2.69 0 !#SUP 5.6 THR ILE assign ( resid 5 and name HG2* ) ( resid 130 and name HA ) 5.5 3.9 0 !#SUP 6.39 THR LYS assign ( resid 5 and name HN ) ( resid 130 and name HG3 ) 5.47 3.87 0 !#SUP 2.96 THR LYS assign ( resid 5 and name HN ) ( resid 130 and name HD2 ) 5.5 3.9 0 !#SUP 3.52 THR LYS assign ( resid 5 and name HA ) ( resid 131 and name HN ) 5.5 3.9 0 !#SUP 3.41 THR ASP assign ( resid 5 and name HB ) ( resid 131 and name HN ) 4.29 2.69 0 !#SUP 4.75 THR ASP assign ( resid 5 and name HB ) ( resid 131 and name HB3 ) 4.14 2.54 0 !#SUP 3.25 THR ASP assign ( resid 5 and name HG2* ) ( resid 131 and name HN ) 4.57 2.97 0 !#SUP 8 THR ASP assign ( resid 5 and name HG2* ) ( resid 131 and name HB2 ) 4.06 2.46 0 !#SUP 3.75 THR ASP assign ( resid 5 and name HG2* ) ( resid 131 and name HB3 ) 3.64 2.04 0 !#SUP 6.2 THR ASP assign ( resid 5 and name HG2* ) ( resid 131 and name HA ) 4.58 2.98 0 !#SUP 2.96 THR ASP assign ( resid 6 and name HA ) ( resid 6 and name HD1 ) 5.5 3.9 0 !#SUP 6.35 TRP TRP assign ( resid 6 and name HA ) ( resid 6 and name HE3 ) 4.08 2.48 0 !#SUP 5.4 TRP TRP assign ( resid 6 and name HB2 ) ( resid 6 and name HD1 ) 3.88 2.28 0 !#SUP 4.84 TRP TRP assign ( resid 6 and name HB2 ) ( resid 6 and name HE3 ) 3.44 1.84 0 !#SUP 4.02 TRP TRP add 0.5 assign ( resid 6 and name HB3 ) ( resid 6 and name HD1 ) 3.35 1.75 0 !#SUP 5.45 TRP TRP assign ( resid 6 and name HB3 ) ( resid 6 and name HE3 ) 4.16 2.56 0 !#SUP 5.07 TRP TRP assign ( resid 6 and name HN ) ( resid 6 and name HE3 ) 5.37 3.77 0 !#SUP 6.45 TRP TRP assign ( resid 6 and name HN ) ( resid 6 and name HB3 ) 3.93 2.33 0 !#SUP 7.03 TRP TRP assign ( resid 6 and name HN ) ( resid 6 and name HD1 ) 3.54 1.94 0 !#SUP 7 TRP TRP assign ( resid 6 and name HA ) ( resid 7 and name HG* ) 5.5 3.9 0 !#SUP 4.22 TRP LYS assign ( resid 6 and name HA ) ( resid 7 and name HN ) 3.1 1.5 0 !#SUP 6.42 TRP LYS assign ( resid 6 and name HB2 ) ( resid 7 and name HN ) 4.11 2.51 0 !#SUP 6.23 TRP LYS assign ( resid 6 and name HB3 ) ( resid 7 and name HN ) 4.62 3.02 0 !#SUP 6.42 TRP LYS assign ( resid 6 and name HB3 ) ( resid 7 and name HA ) 5.5 3.9 0 !#SUP 4.69 TRP LYS assign ( resid 6 and name HN ) ( resid 7 and name HN ) 4.96 3.36 0 !#SUP 6.24 TRP LYS assign ( resid 6 and name HB2 ) ( resid 38 and name HN ) 5.35 3.75 0 !#SUP 5.77 TRP LEU assign ( resid 6 and name HB3 ) ( resid 38 and name HN ) 4.2 2.6 0 !#SUP 6.15 TRP LEU assign ( resid 6 and name HB3 ) ( resid 38 and name HB3 ) 4.44 2.84 0 !#SUP 4.86 TRP LEU assign ( resid 6 and name HB3 ) ( resid 38 and name HB2 ) 4.91 3.31 0 !#SUP 4.52 TRP LEU assign ( resid 6 and name HD1 ) ( resid 38 and name HN ) 5.5 3.9 0 !#SUP 7.32 TRP LEU assign ( resid 6 and name HD1 ) ( resid 38 and name HB2 ) 5.43 3.83 0 !#SUP 5.84 TRP LEU assign ( resid 6 and name HD1 ) ( resid 38 and name HD2* ) 5.23 3.63 0 !#SUP 4.15 TRP LEU assign ( resid 6 and name HD1 ) ( resid 38 and name HB3 ) 3.69 2.09 0 !#SUP 6.19 TRP LEU assign ( resid 6 and name HN ) ( resid 38 and name HD2* ) 5.5 3.9 0 !#SUP 4.94 TRP LEU assign ( resid 6 and name HN ) ( resid 38 and name HA ) 5.02 3.42 0 !#SUP 3.17 TRP LEU assign ( resid 6 and name HN ) ( resid 38 and name HB3 ) 5.04 3.44 0 !#SUP 7.08 TRP LEU assign ( resid 6 and name HN ) ( resid 38 and name HN ) 4.28 2.68 0 !#SUP 8.68 TRP LEU assign ( resid 6 and name HD1 ) ( resid 39 and name HA ) 5.28 3.68 0 !#SUP 7.59 TRP THR assign ( resid 6 and name HN ) ( resid 39 and name HA ) 4.33 2.73 0 !#SUP 7.28 TRP THR assign ( resid 6 and name HD1 ) ( resid 40 and name HB ) 5.5 3.9 0 !#SUP 5.4 TRP ILE assign ( resid 6 and name HD1 ) ( resid 40 and name HN ) 3.82 2.22 0 !#SUP 6.98 TRP ILE assign ( resid 6 and name HD1 ) ( resid 40 and name HG12 ) 3.44 1.84 0 !#SUP 2.49 TRP ILE assign ( resid 6 and name HD1 ) ( resid 40 and name HD1* ) 3.07 1.47 0 !#SUP 4.15 TRP ILE assign ( resid 6 and name HE1 ) ( resid 40 and name HN ) 5.34 3.74 0 !#SUP 3.89 TRP ILE assign ( resid 6 and name HE1 ) ( resid 40 and name HB ) 4.02 2.42 0 !#SUP 3.09 TRP ILE assign ( resid 6 and name HE1 ) ( resid 40 and name HD1* ) 4.09 2.49 0 !#SUP 2.96 TRP ILE assign ( resid 6 and name HN ) ( resid 40 and name HN ) 4.91 3.31 0 !#SUP 3.84 TRP ILE assign ( resid 6 and name HH2 ) ( resid 108 and name HD1* ) 3.69 2.09 0 !#SUP 1.89 TRP ILE assign ( resid 6 and name HZ2 ) ( resid 108 and name HD1* ) 3.94 2.34 0 !#SUP 0.75 TRP ILE assign ( resid 6 and name HE3 ) ( resid 112 and name HA ) 5.39 3.79 0 !#SUP 3.35 TRP GLU assign ( resid 6 and name HZ3 ) ( resid 112 and name HN ) 5.31 3.71 0 !#SUP 1.22 TRP GLU assign ( resid 6 and name HZ3 ) ( resid 112 and name HA ) 3.95 2.35 0 !#SUP 3.25 TRP GLU assign ( resid 6 and name HB2 ) ( resid 113 and name HN ) 4.66 3.06 0 !#SUP 5.24 TRP LEU assign ( resid 6 and name HB2 ) ( resid 113 and name HB2 ) 4.43 2.83 0 !#SUP 4.28 TRP LEU assign ( resid 6 and name HB2 ) ( resid 113 and name HB3 ) 4.63 3.03 0 !#SUP 5.27 TRP LEU assign ( resid 6 and name HB2 ) ( resid 113 and name HD2* ) 4.85 3.25 0 !#SUP 5.92 TRP LEU assign ( resid 6 and name HB3 ) ( resid 113 and name HD2* ) 5.13 3.53 0 !#SUP 1.24 TRP LEU assign ( resid 6 and name HE1 ) ( resid 113 and name HD1* ) 5.16 3.56 0 !#SUP 0.83 TRP LEU assign ( resid 6 and name HE3 ) ( resid 113 and name HN ) 4.29 2.69 0 !#SUP 5.97 TRP LEU assign ( resid 6 and name HE3 ) ( resid 113 and name HB3 ) 5.18 3.58 0 !#SUP 5.63 TRP LEU assign ( resid 6 and name HE3 ) ( resid 113 and name HA ) 5.5 3.9 0 !#SUP 2.77 TRP LEU assign ( resid 6 and name HZ2 ) ( resid 113 and name HD1* ) 4.38 2.78 0 !#SUP 0.83 TRP LEU assign ( resid 6 and name HZ3 ) ( resid 113 and name HN ) 4.15 2.55 0 !#SUP 3.52 TRP LEU assign ( resid 6 and name HZ3 ) ( resid 113 and name HB3 ) 5.5 3.9 0 !#SUP 3.17 TRP LEU assign ( resid 6 and name HB3 ) ( resid 128 and name HD* ) 4.31 2.71 0 !#SUP 2.28 TRP PHE assign ( resid 6 and name HA ) ( resid 129 and name HN ) 4.65 3.05 0 !#SUP 4.45 TRP LYS assign ( resid 6 and name HE3 ) ( resid 129 and name HA ) 4.34 2.74 0 !#SUP 4.14 TRP LYS assign ( resid 6 and name HZ3 ) ( resid 129 and name HA ) 4.25 2.65 0 !#SUP 3.44 TRP LYS assign ( resid 6 and name HA ) ( resid 130 and name HN ) 5.41 3.81 0 !#SUP 5.9 TRP LYS assign ( resid 6 and name HA ) ( resid 130 and name HA ) 3.61 2.01 0 !#SUP 8.05 TRP LYS assign ( resid 6 and name HE3 ) ( resid 130 and name HB3 ) 5.45 3.85 0 !#SUP 3.4 TRP LYS assign ( resid 6 and name HE3 ) ( resid 130 and name HB2 ) 5.47 3.87 0 !#SUP 5.21 TRP LYS assign ( resid 6 and name HE3 ) ( resid 130 and name HG2 ) 5.07 3.47 0 !#SUP 5.21 TRP LYS assign ( resid 6 and name HE3 ) ( resid 130 and name HA ) 4.36 2.76 0 !#SUP 8.83 TRP LYS assign ( resid 6 and name HE3 ) ( resid 130 and name HN ) 3.69 2.09 0 !#SUP 8.25 TRP LYS assign ( resid 6 and name HH2 ) ( resid 130 and name HE2 ) 4.5 2.9 0 !#SUP 1.5 TRP LYS assign ( resid 6 and name HH2 ) ( resid 130 and name HD2 ) 5.5 3.9 0 !#SUP 3.44 TRP LYS assign ( resid 6 and name HH2 ) ( resid 130 and name HE3 ) 4.24 2.64 0 !#SUP 1.49 TRP LYS assign ( resid 6 and name HN ) ( resid 130 and name HA ) 5.5 3.9 0 !#SUP 6.11 TRP LYS assign ( resid 6 and name HZ3 ) ( resid 130 and name HN ) 4.41 2.81 0 !#SUP 5.79 TRP LYS assign ( resid 6 and name HZ3 ) ( resid 130 and name HB2 ) 5.45 3.85 0 !#SUP 5.14 TRP LYS assign ( resid 6 and name HZ3 ) ( resid 130 and name HD2 ) 5.5 3.9 0 !#SUP 5.06 TRP LYS assign ( resid 6 and name HZ3 ) ( resid 130 and name HA ) 5.43 3.83 0 !#SUP 7 TRP LYS assign ( resid 6 and name HZ3 ) ( resid 130 and name HG2 ) 4.2 2.6 0 !#SUP 5.14 TRP LYS assign ( resid 6 and name HA ) ( resid 131 and name HN ) 3.69 2.09 0 !#SUP 10 TRP ASP assign ( resid 6 and name HA ) ( resid 131 and name HB3 ) 5.5 3.9 0 !#SUP 6.77 TRP ASP assign ( resid 6 and name HA ) ( resid 131 and name HB2 ) 5.5 3.9 0 !#SUP 6.06 TRP ASP assign ( resid 6 and name HB2 ) ( resid 131 and name HN ) 5.5 3.9 0 !#SUP 3.77 TRP ASP assign ( resid 6 and name HN ) ( resid 131 and name HN ) 5.46 3.86 0 !#SUP 8.89 TRP ASP assign ( resid 7 and name HA ) ( resid 7 and name HD* ) 4.54 2.94 0 !#SUP 5.47 LYS LYS assign ( resid 7 and name HA ) ( resid 7 and name HG* ) 3.48 1.88 0 !#SUP 6.72 LYS LYS assign ( resid 7 and name HB2 ) ( resid 7 and name HD* ) 3.22 1.62 0 !#SUP 4.3 LYS LYS assign ( resid 7 and name HB3 ) ( resid 7 and name HD* ) 3.06 1.46 0 !#SUP 4.27 LYS LYS assign ( resid 7 and name HG* ) ( resid 7 and name HD* ) 2.96 1.36 0 !#SUP 5.09 LYS LYS assign ( resid 7 and name HN ) ( resid 7 and name HB3 ) 3.63 2.03 0 !#SUP 6.21 LYS LYS assign ( resid 7 and name HN ) ( resid 7 and name HB2 ) 3.68 2.08 0 !#SUP 5.98 LYS LYS assign ( resid 7 and name HN ) ( resid 7 and name HG* ) 4.11 2.51 0 !#SUP 7.1 LYS LYS assign ( resid 7 and name HA ) ( resid 8 and name HB ) 4.56 2.96 0 !#SUP 4.71 LYS VAL assign ( resid 7 and name HA ) ( resid 8 and name HN ) 3.06 1.46 0 !#SUP 7.96 LYS VAL assign ( resid 7 and name HA ) ( resid 8 and name HA ) 5.38 3.78 0 !#SUP 4.92 LYS VAL assign ( resid 7 and name HB2 ) ( resid 8 and name HN ) 4.26 2.66 0 !#SUP 6.63 LYS VAL assign ( resid 7 and name HB3 ) ( resid 8 and name HN ) 4.12 2.52 0 !#SUP 6.66 LYS VAL assign ( resid 7 and name HD* ) ( resid 8 and name HN ) 4.71 3.11 0 !#SUP 6.07 LYS VAL assign ( resid 7 and name HG* ) ( resid 8 and name HN ) 4.01 2.41 0 !#SUP 7.9 LYS VAL assign ( resid 7 and name HG* ) ( resid 8 and name HG2* ) 5.5 3.9 0 !#SUP 5.21 LYS VAL assign ( resid 7 and name HN ) ( resid 8 and name HN ) 5.06 3.46 0 !#SUP 6.26 LYS VAL assign ( resid 7 and name HG* ) ( resid 9 and name HB2 ) 4.3 2.7 0 !#SUP 2.85 LYS ASP assign ( resid 7 and name HG* ) ( resid 9 and name HB3 ) 4.86 3.26 0 !#SUP 2.14 LYS ASP assign ( resid 7 and name HD* ) ( resid 35 and name HA ) 5.5 3.9 0 !#SUP 1.17 LYS ASN assign ( resid 7 and name HA ) ( resid 37 and name HN ) 5.5 3.9 0 !#SUP 1.9 LYS LYS assign ( resid 7 and name HA ) ( resid 37 and name HG3 ) 4.81 3.21 0 !#SUP 2.11 LYS LYS assign ( resid 7 and name HA ) ( resid 37 and name HA ) 3.42 1.82 0 !#SUP 7.25 LYS LYS assign ( resid 7 and name HB2 ) ( resid 37 and name HA ) 3.53 1.93 0 !#SUP 4.02 LYS LYS assign ( resid 7 and name HG* ) ( resid 37 and name HA ) 5.01 3.41 0 !#SUP 4.97 LYS LYS assign ( resid 7 and name HA ) ( resid 38 and name HN ) 4.22 2.62 0 !#SUP 6.83 LYS LEU assign ( resid 7 and name HG* ) ( resid 38 and name HN ) 5.5 3.9 0 !#SUP 3.94 LYS LEU assign ( resid 7 and name HA ) ( resid 128 and name HD* ) 4.38 2.78 0 !#SUP 4.56 LYS PHE assign ( resid 7 and name HN ) ( resid 128 and name HB2 ) 5.5 3.9 0 !#SUP 2.18 LYS PHE assign ( resid 7 and name HG* ) ( resid 129 and name HN ) 4.24 2.64 0 !#SUP 5.97 LYS LYS assign ( resid 7 and name HG* ) ( resid 129 and name HE2 ) 3.61 2.01 0 !#SUP 1.35 LYS LYS assign ( resid 7 and name HN ) ( resid 129 and name HN ) 3.88 2.28 0 !#SUP 7.43 LYS LYS assign ( resid 7 and name HN ) ( resid 130 and name HN ) 5.27 3.67 0 !#SUP 6.46 LYS LYS assign ( resid 7 and name HN ) ( resid 130 and name HA ) 4.15 2.55 0 !#SUP 8.96 LYS LYS assign ( resid 7 and name HB2 ) ( resid 131 and name HB2 ) 3.98 2.38 0 !#SUP 5.27 LYS ASP assign ( resid 7 and name HB2 ) ( resid 131 and name HB3 ) 4.76 3.16 0 !#SUP 4.56 LYS ASP assign ( resid 7 and name HB2 ) ( resid 131 and name HA ) 5.16 3.56 0 !#SUP 5.85 LYS ASP assign ( resid 7 and name HD* ) ( resid 131 and name HB2 ) 4.14 2.54 0 !#SUP 4.75 LYS ASP assign ( resid 7 and name HD* ) ( resid 131 and name HB3 ) 4.81 3.21 0 !#SUP 4.02 LYS ASP assign ( resid 7 and name HD* ) ( resid 131 and name HA ) 4.48 2.88 0 !#SUP 5.27 LYS ASP assign ( resid 7 and name HG* ) ( resid 131 and name HB2 ) 5.2 3.6 0 !#SUP 5.66 LYS ASP assign ( resid 7 and name HG* ) ( resid 131 and name HN ) 5.5 3.9 0 !#SUP 4.85 LYS ASP assign ( resid 7 and name HG* ) ( resid 131 and name HA ) 4.55 2.95 0 !#SUP 5.85 LYS ASP assign ( resid 7 and name HN ) ( resid 131 and name HN ) 4.27 2.67 0 !#SUP 9.74 LYS ASP assign ( resid 7 and name HN ) ( resid 131 and name HA ) 5.5 3.9 0 !#SUP 7.54 LYS ASP assign ( resid 7 and name HN ) ( resid 131 and name HB3 ) 4.82 3.22 0 !#SUP 7.75 LYS ASP assign ( resid 7 and name HN ) ( resid 131 and name HB2 ) 4.71 3.11 0 !#SUP 7.69 LYS ASP assign ( resid 8 and name HA ) ( resid 8 and name HG1* ) 3.33 1.73 0 !#SUP 5.55 VAL VAL assign ( resid 8 and name HN ) ( resid 8 and name HB ) 3.16 1.56 0 !#SUP 6.93 VAL VAL assign ( resid 8 and name HN ) ( resid 8 and name HG1* ) 3.93 2.33 0 !#SUP 6.33 VAL VAL assign ( resid 8 and name HN ) ( resid 8 and name HG2* ) 3.35 1.75 0 !#SUP 7.19 VAL VAL assign ( resid 8 and name HA ) ( resid 9 and name HB3 ) 5.47 3.87 0 !#SUP 6 VAL ASP assign ( resid 8 and name HA ) ( resid 9 and name HA ) 5.5 3.9 0 !#SUP 5.68 VAL ASP assign ( resid 8 and name HA ) ( resid 9 and name HN ) 3.15 1.55 0 !#SUP 7.98 VAL ASP assign ( resid 8 and name HA ) ( resid 9 and name HB2 ) 4.83 3.23 0 !#SUP 6.54 VAL ASP assign ( resid 8 and name HB ) ( resid 9 and name HN ) 5.28 3.68 0 !#SUP 5.3 VAL ASP assign ( resid 8 and name HG1* ) ( resid 9 and name HN ) 4.16 2.56 0 !#SUP 6.52 VAL ASP assign ( resid 8 and name HG2* ) ( resid 9 and name HB2 ) 5.5 3.9 0 !#SUP 6.17 VAL ASP assign ( resid 8 and name HG2* ) ( resid 9 and name HN ) 4.91 3.31 0 !#SUP 6.84 VAL ASP assign ( resid 8 and name HN ) ( resid 9 and name HN ) 5.13 3.53 0 !#SUP 5.3 VAL ASP assign ( resid 8 and name HA ) ( resid 10 and name HN ) 3.9 2.3 0 !#SUP 5.74 VAL ARG assign ( resid 8 and name HG1* ) ( resid 10 and name HN ) 3.86 2.26 0 !#SUP 5.77 VAL ARG assign ( resid 8 and name HG2* ) ( resid 10 and name HA ) 5.32 3.72 0 !#SUP 2.84 VAL ARG assign ( resid 8 and name HG1* ) ( resid 11 and name HN ) 5.5 3.9 0 !#SUP 2.56 VAL SER assign ( resid 8 and name HG2* ) ( resid 34 and name HN ) 5.44 3.84 0 !#SUP 1.5 VAL ASP assign ( resid 8 and name HG2* ) ( resid 35 and name HA ) 4.1 2.5 0 !#SUP 4.59 VAL ASN assign ( resid 8 and name HG2* ) ( resid 35 and name HN ) 4.17 2.57 0 !#SUP 4.59 VAL ASN assign ( resid 8 and name HB ) ( resid 36 and name HD2* ) 4.96 3.36 0 !#SUP 2.34 VAL LEU assign ( resid 8 and name HG1* ) ( resid 36 and name HN ) 5.15 3.55 0 !#SUP 3.45 VAL LEU assign ( resid 8 and name HG1* ) ( resid 36 and name HB2 ) 5.5 3.9 0 !#SUP 3.53 VAL LEU assign ( resid 8 and name HG1* ) ( resid 36 and name HD2* ) 4.87 3.27 0 !#SUP 4.36 VAL LEU assign ( resid 8 and name HG2* ) ( resid 36 and name HB2 ) 4.04 2.44 0 !#SUP 6.99 VAL LEU assign ( resid 8 and name HG2* ) ( resid 36 and name HD2* ) 5.01 3.41 0 !#SUP 8.01 VAL LEU assign ( resid 8 and name HG2* ) ( resid 36 and name HB3 ) 3.14 1.54 0 !#SUP 6.5 VAL LEU assign ( resid 8 and name HG2* ) ( resid 36 and name HN ) 3.45 1.85 0 !#SUP 8.35 VAL LEU assign ( resid 8 and name HG2* ) ( resid 36 and name HA ) 5.5 3.9 0 !#SUP 4.8 VAL LEU assign ( resid 8 and name HN ) ( resid 36 and name HN ) 4.97 3.37 0 !#SUP 4.01 VAL LEU assign ( resid 8 and name HN ) ( resid 36 and name HD2* ) 5.5 3.9 0 !#SUP 4.97 VAL LEU assign ( resid 8 and name HN ) ( resid 37 and name HA ) 4.07 2.47 0 !#SUP 6.24 VAL LYS assign ( resid 8 and name HN ) ( resid 38 and name HD1* ) 5.26 3.66 0 !#SUP 0.84 VAL LEU assign ( resid 8 and name HB ) ( resid 126 and name HD3 ) 5.42 3.82 0 !#SUP 1.5 VAL ARG assign ( resid 8 and name HG1* ) ( resid 126 and name HB3 ) 5.13 3.53 0 !#SUP 2.78 VAL ARG assign ( resid 8 and name HG1* ) ( resid 126 and name HD3 ) 5.13 3.53 0 !#SUP 6.16 VAL ARG assign ( resid 8 and name HG1* ) ( resid 126 and name HE ) 4.39 2.79 0 !#SUP 2.68 VAL ARG assign ( resid 8 and name HG1* ) ( resid 126 and name HA ) 4.86 3.26 0 !#SUP 5.42 VAL ARG assign ( resid 8 and name HG1* ) ( resid 126 and name HD2 ) 4.53 2.93 0 !#SUP 4.9 VAL ARG assign ( resid 8 and name HG2* ) ( resid 126 and name HD3 ) 5.5 3.9 0 !#SUP 2.37 VAL ARG assign ( resid 8 and name HA ) ( resid 127 and name HN ) 5.5 3.9 0 !#SUP 2.92 VAL ILE assign ( resid 8 and name HG1* ) ( resid 127 and name HN ) 4.59 2.99 0 !#SUP 4.45 VAL ILE assign ( resid 8 and name HA ) ( resid 128 and name HB3 ) 4.71 3.11 0 !#SUP 5.5 VAL PHE assign ( resid 8 and name HA ) ( resid 128 and name HD* ) 4.06 2.46 0 !#SUP 9.94 VAL PHE assign ( resid 8 and name HA ) ( resid 128 and name HA ) 3.34 1.74 0 !#SUP 8.57 VAL PHE assign ( resid 8 and name HB ) ( resid 128 and name HD* ) 4.17 2.57 0 !#SUP 4.66 VAL PHE assign ( resid 8 and name HG1* ) ( resid 128 and name HA ) 4.33 2.73 0 !#SUP 6.35 VAL PHE assign ( resid 8 and name HG1* ) ( resid 128 and name HD* ) 4.18 2.58 0 !#SUP 8.27 VAL PHE assign ( resid 8 and name HG2* ) ( resid 128 and name HD* ) 4.93 3.33 0 !#SUP 5.2 VAL PHE assign ( resid 8 and name HN ) ( resid 128 and name HB3 ) 5.5 3.9 0 !#SUP 4.75 VAL PHE assign ( resid 8 and name HN ) ( resid 128 and name HA ) 5.34 3.74 0 !#SUP 6.75 VAL PHE assign ( resid 8 and name HN ) ( resid 128 and name HD* ) 3.7 2.1 0 !#SUP 8.42 VAL PHE assign ( resid 8 and name HA ) ( resid 129 and name HN ) 3.85 2.25 0 !#SUP 8.52 VAL LYS assign ( resid 8 and name HG1* ) ( resid 129 and name HN ) 5.5 3.9 0 !#SUP 6.4 VAL LYS assign ( resid 9 and name HN ) ( resid 9 and name HB2 ) 3.79 2.19 0 !#SUP 6.27 ASP ASP assign ( resid 9 and name HN ) ( resid 9 and name HB3 ) 3.84 2.24 0 !#SUP 6.05 ASP ASP assign ( resid 9 and name HA ) ( resid 10 and name HD2 ) 5.5 3.9 0 !#SUP 3.94 ASP ARG assign ( resid 9 and name HB2 ) ( resid 10 and name HN ) 3.75 2.15 0 !#SUP 6.55 ASP ARG assign ( resid 9 and name HB2 ) ( resid 10 and name HD2 ) 5.5 3.9 0 !#SUP 3.84 ASP ARG assign ( resid 9 and name HB3 ) ( resid 10 and name HN ) 3.52 1.92 0 !#SUP 7.26 ASP ARG assign ( resid 9 and name HB3 ) ( resid 10 and name HB* ) 5.5 3.9 0 !#SUP 5.09 ASP ARG assign ( resid 9 and name HB3 ) ( resid 10 and name HG3 ) 5.5 3.9 0 !#SUP 4.83 ASP ARG assign ( resid 9 and name HN ) ( resid 10 and name HN ) 3.2 1.6 0 !#SUP 6.91 ASP ARG assign ( resid 9 and name HB2 ) ( resid 127 and name HG2* ) 5.5 3.9 0 !#SUP 2.93 ASP ILE assign ( resid 9 and name HB3 ) ( resid 127 and name HG2* ) 5.5 3.9 0 !#SUP 4.18 ASP ILE assign ( resid 9 and name HB3 ) ( resid 127 and name HB ) 5.27 3.67 0 !#SUP 3.96 ASP ILE assign ( resid 9 and name HN ) ( resid 127 and name HB ) 5.5 3.9 0 !#SUP 4.51 ASP ILE assign ( resid 9 and name HB2 ) ( resid 128 and name HA ) 5.01 3.41 0 !#SUP 8.29 ASP PHE assign ( resid 9 and name HB3 ) ( resid 128 and name HA ) 4.89 3.29 0 !#SUP 6.81 ASP PHE assign ( resid 9 and name HN ) ( resid 128 and name HD* ) 5.23 3.63 0 !#SUP 8.64 ASP PHE assign ( resid 9 and name HN ) ( resid 128 and name HB3 ) 5.24 3.64 0 !#SUP 5.68 ASP PHE assign ( resid 9 and name HN ) ( resid 128 and name HA ) 3.65 2.05 0 !#SUP 9.51 ASP PHE assign ( resid 9 and name HB2 ) ( resid 129 and name HE3 ) 5.5 3.9 0 !#SUP 3.37 ASP LYS assign ( resid 9 and name HB2 ) ( resid 129 and name HE2 ) 5.5 3.9 0 !#SUP 3.58 ASP LYS assign ( resid 9 and name HB2 ) ( resid 129 and name HB3 ) 4.8 3.2 0 !#SUP 4.91 ASP LYS assign ( resid 9 and name HB2 ) ( resid 129 and name HN ) 4.42 2.82 0 !#SUP 9.21 ASP LYS assign ( resid 9 and name HB3 ) ( resid 129 and name HN ) 4.63 3.03 0 !#SUP 6.9 ASP LYS assign ( resid 9 and name HN ) ( resid 129 and name HN ) 4.23 2.63 0 !#SUP 8.18 ASP LYS assign ( resid 10 and name HA ) ( resid 10 and name HE ) 5.5 3.9 0 !#SUP 4.26 ARG ARG assign ( resid 10 and name HA ) ( resid 10 and name HG2 ) 3.86 2.26 0 !#SUP 5.62 ARG ARG assign ( resid 10 and name HB* ) ( resid 10 and name HE ) 5.11 3.51 0 !#SUP 6.37 ARG ARG assign ( resid 10 and name HB* ) ( resid 10 and name HD2 ) 3.79 2.19 0 !#SUP 5.45 ARG ARG assign ( resid 10 and name HN ) ( resid 10 and name HB* ) 3.98 2.38 0 !#SUP 7.44 ARG ARG assign ( resid 10 and name HN ) ( resid 10 and name HG3 ) 4.54 2.94 0 !#SUP 7.12 ARG ARG assign ( resid 10 and name HN ) ( resid 10 and name HG2 ) 4.36 2.76 0 !#SUP 6.96 ARG ARG assign ( resid 10 and name HA ) ( resid 11 and name HN ) 2.96 1.36 0 !#SUP 5.45 ARG SER assign ( resid 10 and name HB* ) ( resid 11 and name HN ) 3.27 1.67 0 !#SUP 6.3 ARG SER assign ( resid 10 and name HG2 ) ( resid 11 and name HN ) 4.61 3.01 0 !#SUP 6.51 ARG SER assign ( resid 10 and name HG2 ) ( resid 11 and name HA ) 4.64 3.04 0 !#SUP 4.55 ARG SER assign ( resid 10 and name HG3 ) ( resid 11 and name HN ) 4.54 2.94 0 !#SUP 5.91 ARG SER assign ( resid 10 and name HN ) ( resid 11 and name HN ) 4.6 3 0 !#SUP 5.15 ARG SER assign ( resid 10 and name HD2 ) ( resid 127 and name HB ) 5.5 3.9 0 !#SUP 3.34 ARG ILE assign ( resid 10 and name HD2 ) ( resid 127 and name HD1* ) 5.3 3.7 0 !#SUP 3.87 ARG ILE assign ( resid 10 and name HE ) ( resid 127 and name HG2* ) 5.5 3.9 0 !#SUP 2.77 ARG ILE assign ( resid 10 and name HE ) ( resid 127 and name HB ) 5.5 3.9 0 !#SUP 4.44 ARG ILE assign ( resid 10 and name HE ) ( resid 127 and name HD1* ) 3.99 2.39 0 !#SUP 4.74 ARG ILE assign ( resid 10 and name HG2 ) ( resid 127 and name HD1* ) 5.06 3.46 0 !#SUP 6.44 ARG ILE assign ( resid 10 and name HN ) ( resid 127 and name HN ) 4.26 2.66 0 !#SUP 4.46 ARG ILE assign ( resid 10 and name HN ) ( resid 127 and name HD1* ) 5.2 3.6 0 !#SUP 6.41 ARG ILE assign ( resid 10 and name HN ) ( resid 127 and name HG2* ) 4.34 2.74 0 !#SUP 6.37 ARG ILE assign ( resid 10 and name HN ) ( resid 127 and name HB ) 4.34 2.74 0 !#SUP 6.51 ARG ILE assign ( resid 10 and name HN ) ( resid 128 and name HA ) 4.34 2.74 0 !#SUP 4.13 ARG PHE assign ( resid 10 and name HD2 ) ( resid 129 and name HB2 ) 5.5 3.9 0 !#SUP 0.75 ARG LYS assign ( resid 10 and name HD2 ) ( resid 129 and name HG3 ) 5.4 3.8 0 !#SUP 2.02 ARG LYS assign ( resid 10 and name HD3 ) ( resid 129 and name HB3 ) 5.5 3.9 0 !#SUP 0.33 ARG LYS assign ( resid 10 and name HG2 ) ( resid 129 and name HN ) 5.13 3.53 0 !#SUP 1.1 ARG LYS assign ( resid 11 and name HN ) ( resid 11 and name HB2 ) 3.89 2.29 0 !#SUP 4.62 SER SER assign ( resid 11 and name HN ) ( resid 11 and name HB3 ) 4.14 2.54 0 !#SUP 4.62 SER SER assign ( resid 11 and name HA ) ( resid 12 and name HN ) 3.24 1.64 0 !#SUP 7.63 SER GLU assign ( resid 11 and name HA ) ( resid 12 and name HG2 ) 5.44 3.84 0 !#SUP 5.33 SER GLU assign ( resid 11 and name HA ) ( resid 12 and name HG3 ) 5 3.4 0 !#SUP 5.88 SER GLU assign ( resid 11 and name HA ) ( resid 12 and name HB2 ) 5.15 3.55 0 !#SUP 5.38 SER GLU assign ( resid 11 and name HB2 ) ( resid 12 and name HN ) 3.93 2.33 0 !#SUP 4.86 SER GLU assign ( resid 11 and name HB3 ) ( resid 12 and name HN ) 3.72 2.12 0 !#SUP 4.86 SER GLU assign ( resid 11 and name HN ) ( resid 12 and name HN ) 4.73 3.13 0 !#SUP 4.86 SER GLU assign ( resid 11 and name HA ) ( resid 14 and name HN ) 5.5 3.9 0 !#SUP 6 SER TYR assign ( resid 11 and name HA ) ( resid 14 and name HB3 ) 5.2 3.6 0 !#SUP 4.56 SER TYR assign ( resid 11 and name HB2 ) ( resid 14 and name HB2 ) 4.77 3.17 0 !#SUP 3.87 SER TYR assign ( resid 11 and name HB2 ) ( resid 14 and name HD* ) 5.5 3.9 0 !#SUP 4.97 SER TYR assign ( resid 11 and name HB2 ) ( resid 14 and name HB3 ) 4.27 2.67 0 !#SUP 6.47 SER TYR assign ( resid 11 and name HB2 ) ( resid 14 and name HN ) 5.17 3.57 0 !#SUP 6.46 SER TYR assign ( resid 11 and name HB3 ) ( resid 14 and name HN ) 4.52 2.92 0 !#SUP 6.46 SER TYR assign ( resid 11 and name HB3 ) ( resid 14 and name HB2 ) 4.43 2.83 0 !#SUP 3.87 SER TYR assign ( resid 11 and name HB3 ) ( resid 14 and name HD* ) 5.5 3.9 0 !#SUP 4.97 SER TYR assign ( resid 11 and name HB3 ) ( resid 14 and name HB3 ) 4.39 2.79 0 !#SUP 6.47 SER TYR assign ( resid 11 and name HA ) ( resid 126 and name HN ) 5.5 3.9 0 !#SUP 1.31 SER ARG assign ( resid 11 and name HA ) ( resid 126 and name HA ) 3.49 1.89 0 !#SUP 4.6 SER ARG assign ( resid 11 and name HB2 ) ( resid 126 and name HG2 ) 5.38 3.78 0 !#SUP 2.94 SER ARG assign ( resid 11 and name HB2 ) ( resid 126 and name HG3 ) 5.05 3.45 0 !#SUP 4.75 SER ARG assign ( resid 11 and name HB2 ) ( resid 126 and name HE ) 5.5 3.9 0 !#SUP 4.01 SER ARG assign ( resid 11 and name HB2 ) ( resid 126 and name HA ) 3.68 2.08 0 !#SUP 5.4 SER ARG assign ( resid 11 and name HB2 ) ( resid 126 and name HD3 ) 5.5 3.9 0 !#SUP 2.94 SER ARG assign ( resid 11 and name HB3 ) ( resid 126 and name HG3 ) 5.29 3.69 0 !#SUP 1.42 SER ARG assign ( resid 11 and name HA ) ( resid 127 and name HN ) 4.13 2.53 0 !#SUP 2.97 SER ILE assign ( resid 11 and name HA ) ( resid 127 and name HD1* ) 4.97 3.37 0 !#SUP 7.64 SER ILE assign ( resid 11 and name HN ) ( resid 127 and name HD1* ) 5.5 3.9 0 !#SUP 5.18 SER ILE assign ( resid 12 and name HA ) ( resid 12 and name HG3 ) 3.91 2.31 0 !#SUP 5.31 GLU GLU assign ( resid 12 and name HA ) ( resid 12 and name HG2 ) 4.22 2.62 0 !#SUP 5.25 GLU GLU assign ( resid 12 and name HB3 ) ( resid 12 and name HG3 ) 2.96 1.36 0 !#SUP 6.32 GLU GLU assign ( resid 12 and name HN ) ( resid 12 and name HB2 ) 3.72 2.12 0 !#SUP 7.37 GLU GLU assign ( resid 12 and name HN ) ( resid 12 and name HG3 ) 4.32 2.72 0 !#SUP 7.09 GLU GLU assign ( resid 12 and name HN ) ( resid 12 and name HG2 ) 4.5 2.9 0 !#SUP 6.93 GLU GLU assign ( resid 12 and name HN ) ( resid 12 and name HB3 ) 4.16 2.56 0 !#SUP 7.55 GLU GLU assign ( resid 12 and name HA ) ( resid 13 and name HN ) 2.71 1.11 0 !#SUP 7.54 GLU ASN assign ( resid 12 and name HB2 ) ( resid 13 and name HB3 ) 5.5 3.9 0 !#SUP 5.24 GLU ASN assign ( resid 12 and name HB2 ) ( resid 13 and name HN ) 4.98 3.38 0 !#SUP 8.57 GLU ASN assign ( resid 12 and name HB3 ) ( resid 13 and name HN ) 3.98 2.38 0 !#SUP 7.86 GLU ASN assign ( resid 12 and name HB3 ) ( resid 13 and name HB3 ) 5.03 3.43 0 !#SUP 5.67 GLU ASN assign ( resid 12 and name HB3 ) ( resid 13 and name HB2 ) 4.99 3.39 0 !#SUP 4.76 GLU ASN assign ( resid 12 and name HG2 ) ( resid 13 and name HN ) 4.57 2.97 0 !#SUP 6.72 GLU ASN assign ( resid 12 and name HG3 ) ( resid 13 and name HN ) 4.77 3.17 0 !#SUP 6.97 GLU ASN assign ( resid 12 and name HN ) ( resid 13 and name HN ) 4.12 2.52 0 !#SUP 8.95 GLU ASN assign ( resid 12 and name HA ) ( resid 14 and name HB3 ) 4.95 3.35 0 !#SUP 3.67 GLU TYR assign ( resid 12 and name HB2 ) ( resid 14 and name HN ) 5.5 3.9 0 !#SUP 4.75 GLU TYR assign ( resid 12 and name HN ) ( resid 14 and name HD* ) 5.5 3.9 0 !#SUP 4.41 GLU TYR assign ( resid 12 and name HN ) ( resid 14 and name HB3 ) 5.17 3.57 0 !#SUP 6.9 GLU TYR assign ( resid 12 and name HN ) ( resid 14 and name HN ) 4.72 3.12 0 !#SUP 8 GLU TYR assign ( resid 12 and name HB2 ) ( resid 124 and name HA ) 4.75 3.15 0 !#SUP 4.51 GLU ALA assign ( resid 12 and name HB3 ) ( resid 124 and name HB* ) 5.5 3.9 0 !#SUP 5.64 GLU ALA assign ( resid 12 and name HB3 ) ( resid 124 and name HA ) 5.25 3.65 0 !#SUP 6.38 GLU ALA assign ( resid 12 and name HA ) ( resid 125 and name HN ) 5.07 3.47 0 !#SUP 3.35 GLU LYS assign ( resid 12 and name HB2 ) ( resid 125 and name HB3 ) 4.68 3.08 0 !#SUP 3.72 GLU LYS assign ( resid 12 and name HB2 ) ( resid 125 and name HB2 ) 4.22 2.62 0 !#SUP 4.81 GLU LYS assign ( resid 12 and name HB2 ) ( resid 125 and name HN ) 3.86 2.26 0 !#SUP 8.73 GLU LYS assign ( resid 12 and name HB3 ) ( resid 125 and name HN ) 4.31 2.71 0 !#SUP 10 GLU LYS assign ( resid 12 and name HB3 ) ( resid 125 and name HB3 ) 4.6 3 0 !#SUP 4.35 GLU LYS assign ( resid 12 and name HB3 ) ( resid 125 and name HB2 ) 4.7 3.1 0 !#SUP 5.49 GLU LYS assign ( resid 12 and name HN ) ( resid 125 and name HA ) 5.5 3.9 0 !#SUP 3.81 GLU LYS assign ( resid 12 and name HN ) ( resid 125 and name HN ) 3.57 1.97 0 !#SUP 6.66 GLU LYS assign ( resid 12 and name HN ) ( resid 125 and name HB2 ) 5.5 3.9 0 !#SUP 4.15 GLU LYS assign ( resid 12 and name HB2 ) ( resid 127 and name HD1* ) 4.67 3.07 0 !#SUP 2.32 GLU ILE assign ( resid 12 and name HG3 ) ( resid 127 and name HB ) 5.37 3.77 0 !#SUP 0.02 GLU ILE assign ( resid 12 and name HN ) ( resid 127 and name HD1* ) 5.5 3.9 0 !#SUP 4.04 GLU ILE assign ( resid 13 and name HB2 ) ( resid 13 and name HD22 ) 4 2.4 0 !#SUP 3.5 ASN ASN add 0.5 assign ( resid 13 and name HB3 ) ( resid 13 and name HD22 ) 3.69 2.09 0 !#SUP 4.09 ASN ASN assign ( resid 13 and name HB3 ) ( resid 13 and name HD21 ) 3.79 2.19 0 !#SUP 3.73 ASN ASN assign ( resid 13 and name HN ) ( resid 13 and name HB3 ) 3.96 2.36 0 !#SUP 7.06 ASN ASN assign ( resid 13 and name HA ) ( resid 14 and name HN ) 3.54 1.94 0 !#SUP 5.69 ASN TYR assign ( resid 13 and name HD22 ) ( resid 14 and name HA ) 5.5 3.9 0 !#SUP 3.32 ASN TYR assign ( resid 13 and name HN ) ( resid 14 and name HB2 ) 5.5 3.9 0 !#SUP 4.53 ASN TYR assign ( resid 13 and name HN ) ( resid 14 and name HN ) 3.68 2.08 0 !#SUP 7.91 ASN TYR assign ( resid 13 and name HA ) ( resid 15 and name HN ) 4.18 2.58 0 !#SUP 4.45 ASN ASP assign ( resid 13 and name HN ) ( resid 15 and name HN ) 4.84 3.24 0 !#SUP 3.93 ASN ASP assign ( resid 13 and name HA ) ( resid 16 and name HN ) 4.55 2.95 0 !#SUP 3.42 ASN LYS assign ( resid 13 and name HD21 ) ( resid 16 and name HN ) 5.38 3.78 0 !#SUP 3.86 ASN LYS assign ( resid 13 and name HD21 ) ( resid 16 and name HB3 ) 5.07 3.47 0 !#SUP 4.75 ASN LYS assign ( resid 13 and name HD21 ) ( resid 16 and name HB2 ) 4.23 2.63 0 !#SUP 4.75 ASN LYS assign ( resid 13 and name HD21 ) ( resid 16 and name HG3 ) 5.49 3.89 0 !#SUP 4.6 ASN LYS assign ( resid 13 and name HD21 ) ( resid 16 and name HG2 ) 5.5 3.9 0 !#SUP 4.11 ASN LYS assign ( resid 13 and name HD22 ) ( resid 16 and name HB3 ) 5.38 3.78 0 !#SUP 3.86 ASN LYS assign ( resid 13 and name HD22 ) ( resid 16 and name HB2 ) 5.5 3.9 0 !#SUP 3.85 ASN LYS assign ( resid 13 and name HD22 ) ( resid 16 and name HG2 ) 5.5 3.9 0 !#SUP 3.86 ASN LYS assign ( resid 13 and name HD22 ) ( resid 16 and name HG3 ) 5.5 3.9 0 !#SUP 3.85 ASN LYS assign ( resid 13 and name HA ) ( resid 17 and name HN ) 5.37 3.77 0 !#SUP 1.42 ASN PHE assign ( resid 13 and name HB2 ) ( resid 122 and name QQG ) 5.5 3.9 0 !#SUP 1.74 ASN VAL assign ( resid 13 and name HD21 ) ( resid 122 and name HA ) 5.21 3.61 0 !#SUP 2 ASN VAL assign ( resid 13 and name HD21 ) ( resid 122 and name QQG ) 3.48 1.88 0 !#SUP 3.25 ASN VAL assign ( resid 13 and name HD22 ) ( resid 122 and name QQG ) 4.57 2.97 0 !#SUP 4.97 ASN VAL assign ( resid 13 and name HD22 ) ( resid 122 and name HA ) 5.5 3.9 0 !#SUP 2.96 ASN VAL assign ( resid 13 and name HD22 ) ( resid 123 and name HN ) 5.12 3.52 0 !#SUP 1.74 ASN GLU assign ( resid 13 and name HB2 ) ( resid 124 and name HB* ) 3.93 2.33 0 !#SUP 6.05 ASN ALA assign ( resid 13 and name HB2 ) ( resid 124 and name HA ) 3.39 1.79 0 !#SUP 5.27 ASN ALA assign ( resid 13 and name HB3 ) ( resid 124 and name HB* ) 4.52 2.92 0 !#SUP 6.05 ASN ALA assign ( resid 13 and name HB3 ) ( resid 124 and name HA ) 3.53 1.93 0 !#SUP 5.91 ASN ALA assign ( resid 13 and name HD22 ) ( resid 124 and name HA ) 4.77 3.17 0 !#SUP 3.9 ASN ALA assign ( resid 13 and name HB2 ) ( resid 125 and name HN ) 4.38 2.78 0 !#SUP 7.5 ASN LYS assign ( resid 13 and name HB3 ) ( resid 125 and name HN ) 4.57 2.97 0 !#SUP 8.32 ASN LYS assign ( resid 14 and name HA ) ( resid 14 and name HE* ) 5.5 3.9 0 !#SUP 3.71 TYR TYR assign ( resid 14 and name HA ) ( resid 14 and name HD* ) 3.12 1.52 0 !#SUP 5.31 TYR TYR assign ( resid 14 and name HN ) ( resid 14 and name HD* ) 4.12 2.52 0 !#SUP 5.85 TYR TYR assign ( resid 14 and name HN ) ( resid 14 and name HB2 ) 3.34 1.74 0 !#SUP 6.28 TYR TYR assign ( resid 14 and name HN ) ( resid 14 and name HB3 ) 3.36 1.76 0 !#SUP 5.71 TYR TYR assign ( resid 14 and name HB2 ) ( resid 15 and name HN ) 3.9 2.3 0 !#SUP 6.7 TYR ASP assign ( resid 14 and name HB2 ) ( resid 15 and name HA ) 5.23 3.63 0 !#SUP 3.14 TYR ASP assign ( resid 14 and name HB3 ) ( resid 15 and name HN ) 4.08 2.48 0 !#SUP 5.88 TYR ASP assign ( resid 14 and name HD* ) ( resid 15 and name HN ) 4.75 3.15 0 !#SUP 6.79 TYR ASP assign ( resid 14 and name HN ) ( resid 15 and name HN ) 3.35 1.75 0 !#SUP 8.4 TYR ASP assign ( resid 14 and name HN ) ( resid 15 and name HB* ) 4.82 3.22 0 !#SUP 4.32 TYR ASP assign ( resid 14 and name HN ) ( resid 16 and name HN ) 5.41 3.81 0 !#SUP 4.27 TYR LYS assign ( resid 14 and name HA ) ( resid 17 and name HN ) 4.1 2.5 0 !#SUP 3.41 TYR PHE assign ( resid 14 and name HA ) ( resid 17 and name HB3 ) 5.12 3.52 0 !#SUP 3.87 TYR PHE assign ( resid 14 and name HA ) ( resid 17 and name HB2 ) 3.65 2.05 0 !#SUP 3.79 TYR PHE assign ( resid 14 and name HD* ) ( resid 17 and name HB3 ) 4.01 2.41 0 !#SUP 2.51 TYR PHE assign ( resid 14 and name HA ) ( resid 18 and name HN ) 4.81 3.21 0 !#SUP 4.38 TYR MET assign ( resid 14 and name HB2 ) ( resid 18 and name HE* ) 4.79 3.19 0 !#SUP 3.57 TYR MET assign ( resid 14 and name HD* ) ( resid 18 and name HG3 ) 4.67 3.07 0 !#SUP 1.44 TYR MET assign ( resid 14 and name HD* ) ( resid 18 and name HE* ) 3.68 2.08 0 !#SUP 5.67 TYR MET assign ( resid 14 and name HE* ) ( resid 18 and name HN ) 5.5 3.9 0 !#SUP 3.89 TYR MET assign ( resid 14 and name HE* ) ( resid 18 and name HE* ) 3.91 2.31 0 !#SUP 4.07 TYR MET assign ( resid 14 and name HN ) ( resid 18 and name HE* ) 5.5 3.9 0 !#SUP 3.61 TYR MET assign ( resid 14 and name HE* ) ( resid 31 and name HB* ) 3.61 2.01 0 !#SUP 1.74 TYR ALA assign ( resid 14 and name HD* ) ( resid 32 and name HB* ) 4.65 3.05 0 !#SUP 2 TYR ALA assign ( resid 14 and name HD* ) ( resid 32 and name HA ) 4.17 2.57 0 !#SUP 2 TYR ALA assign ( resid 14 and name HE* ) ( resid 32 and name HA ) 4.17 2.57 0 !#SUP 3.37 TYR ALA assign ( resid 14 and name HE* ) ( resid 32 and name HB* ) 3.9 2.3 0 !#SUP 3.87 TYR ALA assign ( resid 14 and name HE* ) ( resid 32 and name HN ) 4.3 2.7 0 !#SUP 2.25 TYR ALA assign ( resid 14 and name HA ) ( resid 124 and name HB* ) 3.59 1.99 0 !#SUP 4.1 TYR ALA assign ( resid 14 and name HB2 ) ( resid 124 and name HB* ) 5.32 3.72 0 !#SUP 3.81 TYR ALA assign ( resid 14 and name HB3 ) ( resid 124 and name HB* ) 5.06 3.46 0 !#SUP 4.1 TYR ALA assign ( resid 14 and name HD* ) ( resid 124 and name HB* ) 3.59 1.99 0 !#SUP 6.22 TYR ALA assign ( resid 14 and name HN ) ( resid 124 and name HB* ) 4.47 2.87 0 !#SUP 3.81 TYR ALA assign ( resid 14 and name HD* ) ( resid 125 and name HN ) 5.5 3.9 0 !#SUP 3.41 TYR LYS assign ( resid 14 and name HD* ) ( resid 126 and name HD2 ) 5.5 3.9 0 !#SUP 1.81 TYR ARG assign ( resid 14 and name HD* ) ( resid 126 and name HD3 ) 4.99 3.39 0 !#SUP 1.81 TYR ARG assign ( resid 14 and name HD* ) ( resid 126 and name HG3 ) 5.5 3.9 0 !#SUP 1.81 TYR ARG assign ( resid 15 and name HN ) ( resid 15 and name HB* ) 2.87 1.27 0 !#SUP 4.77 ASP ASP assign ( resid 15 and name HB* ) ( resid 16 and name HN ) 3.29 1.69 0 !#SUP 6.31 ASP LYS assign ( resid 15 and name HB* ) ( resid 16 and name HB2 ) 4.92 3.32 0 !#SUP 3.71 ASP LYS assign ( resid 15 and name HN ) ( resid 16 and name HN ) 3.48 1.88 0 !#SUP 4.87 ASP LYS assign ( resid 15 and name HB* ) ( resid 17 and name HN ) 5.09 3.49 0 !#SUP 3.5 ASP PHE assign ( resid 15 and name HA ) ( resid 18 and name HN ) 4.17 2.57 0 !#SUP 2.54 ASP MET assign ( resid 15 and name HA ) ( resid 18 and name HB3 ) 4.18 2.58 0 !#SUP 1.5 ASP MET assign ( resid 15 and name HA ) ( resid 18 and name HE* ) 3.09 1.49 0 !#SUP 6.1 ASP MET assign ( resid 15 and name HB* ) ( resid 18 and name HE* ) 4.56 2.96 0 !#SUP 4.26 ASP MET assign ( resid 15 and name HN ) ( resid 18 and name HE* ) 4.77 3.17 0 !#SUP 4.09 ASP MET assign ( resid 16 and name HA ) ( resid 16 and name HG3 ) 4.13 2.53 0 !#SUP 3.93 LYS LYS assign ( resid 16 and name HA ) ( resid 16 and name HG2 ) 3.85 2.25 0 !#SUP 3.46 LYS LYS assign ( resid 16 and name HB3 ) ( resid 16 and name HG2 ) 2.81 1.21 0 !#SUP 2.72 LYS LYS assign ( resid 16 and name HN ) ( resid 16 and name HB2 ) 3.13 1.53 0 !#SUP 5.91 LYS LYS assign ( resid 16 and name HN ) ( resid 16 and name HB3 ) 3.33 1.73 0 !#SUP 5.41 LYS LYS assign ( resid 16 and name HN ) ( resid 16 and name HG3 ) 4.1 2.5 0 !#SUP 4.21 LYS LYS assign ( resid 16 and name HB2 ) ( resid 17 and name HN ) 3.81 2.21 0 !#SUP 5.74 LYS PHE assign ( resid 16 and name HB3 ) ( resid 17 and name HN ) 3.87 2.27 0 !#SUP 4.93 LYS PHE assign ( resid 16 and name HN ) ( resid 17 and name HN ) 3.28 1.68 0 !#SUP 5.55 LYS PHE assign ( resid 16 and name HA ) ( resid 19 and name HN ) 3.72 2.12 0 !#SUP 5.83 LYS GLU assign ( resid 16 and name HA ) ( resid 19 and name HG2 ) 4.64 3.04 0 !#SUP 3.08 LYS GLU assign ( resid 16 and name HA ) ( resid 19 and name HG3 ) 4.51 2.91 0 !#SUP 3.08 LYS GLU assign ( resid 16 and name HA ) ( resid 19 and name HB2 ) 3.3 1.7 0 !#SUP 6.01 LYS GLU assign ( resid 16 and name HA ) ( resid 19 and name HB3 ) 3.13 1.53 0 !#SUP 3.53 LYS GLU assign ( resid 16 and name HG2 ) ( resid 19 and name HB2 ) 5.5 3.9 0 !#SUP 2.26 LYS GLU assign ( resid 16 and name HG3 ) ( resid 19 and name HN ) 5.5 3.9 0 !#SUP 0.95 LYS GLU assign ( resid 16 and name HB3 ) ( resid 20 and name HE2 ) 5.2 3.6 0 !#SUP 1.25 LYS LYS assign ( resid 16 and name HG2 ) ( resid 20 and name HE2 ) 4.31 2.71 0 !#SUP 1.25 LYS LYS assign ( resid 16 and name HA ) ( resid 122 and name QQG ) 5.5 3.9 0 !#SUP 3.81 LYS VAL assign ( resid 16 and name HB2 ) ( resid 122 and name QQG ) 4.85 3.25 0 !#SUP 4.22 LYS VAL assign ( resid 16 and name HG3 ) ( resid 122 and name QQG ) 4.69 3.09 0 !#SUP 3.37 LYS VAL assign ( resid 16 and name HN ) ( resid 122 and name QQG ) 5.26 3.66 0 !#SUP 3.78 LYS VAL assign ( resid 16 and name HN ) ( resid 124 and name HB* ) 5.5 3.9 0 !#SUP 1.91 LYS ALA assign ( resid 17 and name HA ) ( resid 17 and name HD* ) 3.84 2.24 0 !#SUP 3.91 PHE PHE assign ( resid 17 and name HN ) ( resid 17 and name HB2 ) 3.3 1.7 0 !#SUP 5.02 PHE PHE assign ( resid 17 and name HN ) ( resid 17 and name HB3 ) 3.35 1.75 0 !#SUP 5.14 PHE PHE assign ( resid 17 and name HB2 ) ( resid 18 and name HN ) 4.46 2.86 0 !#SUP 5.74 PHE MET assign ( resid 17 and name HB3 ) ( resid 18 and name HN ) 3.95 2.35 0 !#SUP 6.23 PHE MET assign ( resid 17 and name HB3 ) ( resid 18 and name HG3 ) 5.5 3.9 0 !#SUP 4.32 PHE MET assign ( resid 17 and name HD* ) ( resid 18 and name HG2 ) 4.75 3.15 0 !#SUP 3.81 PHE MET assign ( resid 17 and name HD* ) ( resid 18 and name HA ) 4.78 3.18 0 !#SUP 3.25 PHE MET assign ( resid 17 and name HN ) ( resid 18 and name HN ) 3.53 1.93 0 !#SUP 6.49 PHE MET assign ( resid 17 and name HN ) ( resid 19 and name HN ) 4.7 3.1 0 !#SUP 3.52 PHE GLU assign ( resid 17 and name HA ) ( resid 20 and name HN ) 4.38 2.78 0 !#SUP 2.9 PHE LYS assign ( resid 17 and name HA ) ( resid 20 and name HB2 ) 4.99 3.39 0 !#SUP 2.16 PHE LYS assign ( resid 17 and name HA ) ( resid 21 and name HN ) 5.5 3.9 0 !#SUP 2.86 PHE MET assign ( resid 17 and name HD* ) ( resid 21 and name HG3 ) 4.86 3.26 0 !#SUP 2 PHE MET assign ( resid 17 and name HD* ) ( resid 21 and name HE* ) 4.22 2.62 0 !#SUP 2.95 PHE MET assign ( resid 17 and name HE* ) ( resid 21 and name HE* ) 4.26 2.66 0 !#SUP 0.99 PHE MET assign ( resid 17 and name HD* ) ( resid 102 and name HD1* ) 3.75 2.15 0 !#SUP 2 PHE LEU assign ( resid 17 and name HE* ) ( resid 102 and name HD1* ) 3.38 1.78 0 !#SUP 2.83 PHE LEU assign ( resid 17 and name HE* ) ( resid 102 and name HD2* ) 3.82 2.22 0 !#SUP 1.4 PHE LEU assign ( resid 17 and name HD* ) ( resid 117 and name HB2 ) 5.21 3.61 0 !#SUP 2 PHE TYR assign ( resid 17 and name HD* ) ( resid 117 and name HB3 ) 4.39 2.79 0 !#SUP 1.77 PHE TYR assign ( resid 17 and name HE* ) ( resid 117 and name HB2 ) 3.84 2.24 0 !#SUP 2 PHE TYR assign ( resid 17 and name HA ) ( resid 122 and name HB ) 4.39 2.79 0 !#SUP 2 PHE VAL assign ( resid 17 and name HA ) ( resid 122 and name QQG ) 3.3 1.7 0 !#SUP 6.21 PHE VAL assign ( resid 17 and name HB2 ) ( resid 122 and name QQG ) 5.5 3.9 0 !#SUP 3.95 PHE VAL assign ( resid 17 and name HB3 ) ( resid 122 and name QQG ) 4.89 3.29 0 !#SUP 3.95 PHE VAL assign ( resid 17 and name HD* ) ( resid 122 and name HB ) 5.16 3.56 0 !#SUP 0.75 PHE VAL assign ( resid 17 and name HN ) ( resid 122 and name QQG ) 4.09 2.49 0 !#SUP 5.49 PHE VAL assign ( resid 17 and name HA ) ( resid 124 and name HB* ) 4.83 3.23 0 !#SUP 2.65 PHE ALA assign ( resid 17 and name HB2 ) ( resid 124 and name HB* ) 3.66 2.06 0 !#SUP 2.65 PHE ALA assign ( resid 17 and name HB3 ) ( resid 124 and name HB* ) 3.54 1.94 0 !#SUP 2.65 PHE ALA assign ( resid 17 and name HN ) ( resid 124 and name HB* ) 4 2.4 0 !#SUP 3.17 PHE ALA assign ( resid 18 and name HA ) ( resid 18 and name HG3 ) 4.02 2.42 0 !#SUP 5.59 MET MET assign ( resid 18 and name HA ) ( resid 18 and name HG2 ) 3.73 2.13 0 !#SUP 5.44 MET MET assign ( resid 18 and name HB3 ) ( resid 18 and name HE* ) 3.54 1.94 0 !#SUP 3.69 MET MET assign ( resid 18 and name HN ) ( resid 18 and name HB3 ) 3.5 1.9 0 !#SUP 8.71 MET MET assign ( resid 18 and name HN ) ( resid 18 and name HG2 ) 4.01 2.41 0 !#SUP 7.85 MET MET assign ( resid 18 and name HN ) ( resid 18 and name HB2 ) 3.73 2.13 0 !#SUP 7.93 MET MET assign ( resid 18 and name HN ) ( resid 18 and name HG3 ) 4.3 2.7 0 !#SUP 8.74 MET MET assign ( resid 18 and name HN ) ( resid 18 and name HE* ) 4.24 2.64 0 !#SUP 5.82 MET MET assign ( resid 18 and name HB2 ) ( resid 19 and name HN ) 4.28 2.68 0 !#SUP 6.75 MET GLU assign ( resid 18 and name HB3 ) ( resid 19 and name HN ) 3.05 1.45 0 !#SUP 7.37 MET GLU assign ( resid 18 and name HB3 ) ( resid 19 and name HB3 ) 4.82 3.22 0 !#SUP 5.21 MET GLU assign ( resid 18 and name HG3 ) ( resid 19 and name HN ) 5.5 3.9 0 !#SUP 6.48 MET GLU assign ( resid 18 and name HN ) ( resid 19 and name HN ) 3.75 2.15 0 !#SUP 8.84 MET GLU assign ( resid 18 and name HN ) ( resid 19 and name HA ) 5.21 3.61 0 !#SUP 5.82 MET GLU assign ( resid 18 and name HN ) ( resid 19 and name HB3 ) 4.48 2.88 0 !#SUP 6.31 MET GLU assign ( resid 18 and name HA ) ( resid 20 and name HN ) 4.95 3.35 0 !#SUP 5.98 MET LYS assign ( resid 18 and name HA ) ( resid 21 and name HN ) 4.04 2.44 0 !#SUP 9.12 MET MET assign ( resid 18 and name HA ) ( resid 21 and name HG2 ) 5.44 3.84 0 !#SUP 5.15 MET MET assign ( resid 18 and name HA ) ( resid 21 and name HB3 ) 4.84 3.24 0 !#SUP 5.06 MET MET assign ( resid 18 and name HA ) ( resid 21 and name HB2 ) 3.75 2.15 0 !#SUP 6.63 MET MET assign ( resid 18 and name HA ) ( resid 21 and name HG3 ) 5.03 3.43 0 !#SUP 7.21 MET MET assign ( resid 18 and name HA ) ( resid 21 and name HE* ) 4.62 3.02 0 !#SUP 6.98 MET MET assign ( resid 18 and name HA ) ( resid 22 and name HN ) 4.66 3.06 0 !#SUP 9.5 MET GLY assign ( resid 18 and name HA ) ( resid 23 and name HN ) 4.78 3.18 0 !#SUP 6.22 MET VAL assign ( resid 18 and name HA ) ( resid 23 and name HB ) 5.5 3.9 0 !#SUP 4.37 MET VAL assign ( resid 18 and name HA ) ( resid 23 and name HG2* ) 4.13 2.53 0 !#SUP 10 MET VAL assign ( resid 18 and name HB2 ) ( resid 23 and name HN ) 5.5 3.9 0 !#SUP 3.37 MET VAL assign ( resid 18 and name HB2 ) ( resid 23 and name HG2* ) 5.25 3.65 0 !#SUP 6.74 MET VAL assign ( resid 18 and name HB3 ) ( resid 23 and name HN ) 5.5 3.9 0 !#SUP 4.44 MET VAL assign ( resid 18 and name HB3 ) ( resid 23 and name HB ) 4.37 2.77 0 !#SUP 2.96 MET VAL assign ( resid 18 and name HB3 ) ( resid 23 and name HG2* ) 4.39 2.79 0 !#SUP 8.59 MET VAL assign ( resid 18 and name HE* ) ( resid 23 and name HG2* ) 5.5 3.9 0 !#SUP 3.79 MET VAL assign ( resid 18 and name HG2 ) ( resid 23 and name HG2* ) 5.5 3.9 0 !#SUP 4.74 MET VAL assign ( resid 18 and name HG3 ) ( resid 23 and name HG2* ) 5.5 3.9 0 !#SUP 5.25 MET VAL assign ( resid 18 and name HN ) ( resid 23 and name HG2* ) 5.36 3.76 0 !#SUP 5.25 MET VAL assign ( resid 18 and name HB2 ) ( resid 28 and name HE ) 5.5 3.9 0 !#SUP 2.53 MET ARG assign ( resid 18 and name HB2 ) ( resid 28 and name HD2 ) 5.26 3.66 0 !#SUP 4.98 MET ARG assign ( resid 18 and name HB3 ) ( resid 28 and name HD2 ) 4.19 2.59 0 !#SUP 10 MET ARG assign ( resid 18 and name HB3 ) ( resid 28 and name HD3 ) 4.77 3.17 0 !#SUP 8.01 MET ARG assign ( resid 18 and name HB3 ) ( resid 28 and name HB3 ) 4.68 3.08 0 !#SUP 3.5 MET ARG assign ( resid 18 and name HB3 ) ( resid 28 and name HG2 ) 5.5 3.9 0 !#SUP 5.07 MET ARG assign ( resid 18 and name HB3 ) ( resid 28 and name HA ) 4.68 3.08 0 !#SUP 4.96 MET ARG assign ( resid 18 and name HE* ) ( resid 28 and name HB2 ) 4.53 2.93 0 !#SUP 3.35 MET ARG assign ( resid 18 and name HE* ) ( resid 28 and name HA ) 3.98 2.38 0 !#SUP 5.16 MET ARG assign ( resid 18 and name HE* ) ( resid 28 and name HD2 ) 4.67 3.07 0 !#SUP 7.62 MET ARG assign ( resid 18 and name HE* ) ( resid 28 and name HD3 ) 4.87 3.27 0 !#SUP 6.78 MET ARG assign ( resid 18 and name HE* ) ( resid 28 and name HG3 ) 3.15 1.55 0 !#SUP 3.18 MET ARG assign ( resid 18 and name HN ) ( resid 122 and name QQG ) 5.47 3.87 0 !#SUP 3.75 MET VAL assign ( resid 19 and name HA ) ( resid 19 and name HG2 ) 3.82 2.22 0 !#SUP 4.83 GLU GLU assign ( resid 19 and name HA ) ( resid 19 and name HG3 ) 3.67 2.07 0 !#SUP 4.75 GLU GLU assign ( resid 19 and name HN ) ( resid 19 and name HB3 ) 3.24 1.64 0 !#SUP 8.05 GLU GLU assign ( resid 19 and name HN ) ( resid 19 and name HG2 ) 4.05 2.45 0 !#SUP 6.4 GLU GLU assign ( resid 19 and name HN ) ( resid 19 and name HG3 ) 4.29 2.69 0 !#SUP 6.29 GLU GLU assign ( resid 19 and name HN ) ( resid 19 and name HB2 ) 3.58 1.98 0 !#SUP 6.8 GLU GLU assign ( resid 19 and name HB2 ) ( resid 20 and name HN ) 3.87 2.27 0 !#SUP 6.1 GLU LYS assign ( resid 19 and name HB3 ) ( resid 20 and name HN ) 4.18 2.58 0 !#SUP 6.63 GLU LYS assign ( resid 19 and name HN ) ( resid 20 and name HN ) 3.68 2.08 0 !#SUP 8.18 GLU LYS assign ( resid 19 and name HA ) ( resid 21 and name HN ) 4.98 3.38 0 !#SUP 4.63 GLU MET assign ( resid 19 and name HN ) ( resid 21 and name HN ) 5.11 3.51 0 !#SUP 5.14 GLU MET assign ( resid 19 and name HA ) ( resid 22 and name HN ) 4.07 2.47 0 !#SUP 4.44 GLU GLY assign ( resid 19 and name HN ) ( resid 22 and name HN ) 5.5 3.9 0 !#SUP 4.97 GLU GLY assign ( resid 19 and name HA ) ( resid 23 and name HN ) 4.18 2.58 0 !#SUP 1.94 GLU VAL assign ( resid 19 and name HN ) ( resid 23 and name HG2* ) 5.5 3.9 0 !#SUP 6.12 GLU VAL assign ( resid 19 and name HA ) ( resid 28 and name HE ) 5.5 3.9 0 !#SUP 4.1 GLU ARG assign ( resid 19 and name HA ) ( resid 28 and name HD2 ) 4.67 3.07 0 !#SUP 6.59 GLU ARG assign ( resid 19 and name HA ) ( resid 28 and name HD3 ) 4.19 2.59 0 !#SUP 6.62 GLU ARG assign ( resid 19 and name HA ) ( resid 28 and name HG2 ) 4.92 3.32 0 !#SUP 4.23 GLU ARG assign ( resid 19 and name HB2 ) ( resid 28 and name HD3 ) 5.5 3.9 0 !#SUP 2.72 GLU ARG assign ( resid 19 and name HB3 ) ( resid 28 and name HD2 ) 4.03 2.43 0 !#SUP 3.29 GLU ARG assign ( resid 19 and name HG2 ) ( resid 28 and name HG2 ) 5.5 3.9 0 !#SUP 3.06 GLU ARG assign ( resid 19 and name HG2 ) ( resid 28 and name HD3 ) 5.5 3.9 0 !#SUP 5.3 GLU ARG assign ( resid 19 and name HN ) ( resid 28 and name HD2 ) 4.3 2.7 0 !#SUP 5.99 GLU ARG assign ( resid 19 and name HN ) ( resid 28 and name HD3 ) 4.5 2.9 0 !#SUP 5 GLU ARG assign ( resid 19 and name HN ) ( resid 122 and name QQG ) 5.48 3.88 0 !#SUP 3.36 GLU VAL assign ( resid 20 and name HA ) ( resid 20 and name HE3 ) 5.22 3.62 0 !#SUP 5.69 LYS LYS assign ( resid 20 and name HA ) ( resid 20 and name HD2 ) 3.41 1.81 0 !#SUP 6.9 LYS LYS assign ( resid 20 and name HA ) ( resid 20 and name HB3 ) 2.95 1.35 0 !#SUP 6.84 LYS LYS assign ( resid 20 and name HA ) ( resid 20 and name HG2 ) 3.26 1.66 0 !#SUP 6.76 LYS LYS assign ( resid 20 and name HN ) ( resid 20 and name HB3 ) 3.67 2.07 0 !#SUP 8.83 LYS LYS assign ( resid 20 and name HN ) ( resid 20 and name HD3 ) 4.24 2.64 0 !#SUP 8.47 LYS LYS assign ( resid 20 and name HN ) ( resid 20 and name HB2 ) 3.33 1.73 0 !#SUP 8.78 LYS LYS assign ( resid 20 and name HN ) ( resid 20 and name HG2 ) 4.99 3.39 0 !#SUP 8.54 LYS LYS assign ( resid 20 and name HN ) ( resid 20 and name HD2 ) 5.2 3.6 0 !#SUP 8.75 LYS LYS assign ( resid 20 and name HN ) ( resid 20 and name HG3 ) 5.5 3.9 0 !#SUP 9.44 LYS LYS assign ( resid 20 and name HB2 ) ( resid 21 and name HN ) 3.97 2.37 0 !#SUP 7.81 LYS MET assign ( resid 20 and name HB3 ) ( resid 21 and name HN ) 5.35 3.75 0 !#SUP 7.45 LYS MET assign ( resid 20 and name HG3 ) ( resid 21 and name HN ) 5.49 3.89 0 !#SUP 8.74 LYS MET assign ( resid 20 and name HN ) ( resid 21 and name HA ) 5.5 3.9 0 !#SUP 6.71 LYS MET assign ( resid 20 and name HN ) ( resid 21 and name HN ) 3.57 1.97 0 !#SUP 10 LYS MET assign ( resid 20 and name HN ) ( resid 22 and name HN ) 4.75 3.15 0 !#SUP 4.54 LYS GLY assign ( resid 20 and name HB2 ) ( resid 119 and name HD* ) 4.53 2.93 0 !#SUP 7.15 LYS TYR assign ( resid 20 and name HB2 ) ( resid 119 and name HE* ) 4.54 2.94 0 !#SUP 6.4 LYS TYR assign ( resid 20 and name HB3 ) ( resid 119 and name HD* ) 4.87 3.27 0 !#SUP 5.05 LYS TYR assign ( resid 20 and name HD2 ) ( resid 119 and name HD* ) 5.07 3.47 0 !#SUP 7.08 LYS TYR assign ( resid 20 and name HD2 ) ( resid 119 and name HE* ) 5.5 3.9 0 !#SUP 6.4 LYS TYR assign ( resid 20 and name HE2 ) ( resid 119 and name HE* ) 5.39 3.79 0 !#SUP 9.08 LYS TYR assign ( resid 20 and name HE2 ) ( resid 119 and name HD* ) 4.35 2.75 0 !#SUP 8.19 LYS TYR assign ( resid 20 and name HG2 ) ( resid 119 and name HE* ) 4.93 3.33 0 !#SUP 6.55 LYS TYR assign ( resid 20 and name HG2 ) ( resid 119 and name HD* ) 4.57 2.97 0 !#SUP 7.08 LYS TYR assign ( resid 20 and name HG3 ) ( resid 119 and name HD* ) 4.67 3.07 0 !#SUP 7.66 LYS TYR assign ( resid 20 and name HG3 ) ( resid 119 and name HE* ) 5.36 3.76 0 !#SUP 6.91 LYS TYR assign ( resid 20 and name HN ) ( resid 119 and name HD* ) 5.17 3.57 0 !#SUP 5.5 LYS TYR assign ( resid 20 and name HE2 ) ( resid 120 and name HB2 ) 3.73 2.13 0 !#SUP 6.47 LYS GLU assign ( resid 20 and name HE2 ) ( resid 120 and name HG2 ) 4.96 3.36 0 !#SUP 5.57 LYS GLU assign ( resid 20 and name HE3 ) ( resid 120 and name HB2 ) 3.92 2.32 0 !#SUP 3.78 LYS GLU assign ( resid 20 and name HE3 ) ( resid 120 and name HG2 ) 4.07 2.47 0 !#SUP 3.54 LYS GLU assign ( resid 20 and name HE3 ) ( resid 120 and name HN ) 5.5 3.9 0 !#SUP 2.17 LYS GLU assign ( resid 20 and name HE2 ) ( resid 121 and name HN ) 5.5 3.9 0 !#SUP 3.41 LYS GLY assign ( resid 20 and name HB3 ) ( resid 122 and name QQG ) 4.45 2.85 0 !#SUP 4.98 LYS VAL assign ( resid 20 and name HD2 ) ( resid 122 and name QQG ) 4.72 3.12 0 !#SUP 5.49 LYS VAL assign ( resid 20 and name HD3 ) ( resid 122 and name QQG ) 3.55 1.95 0 !#SUP 7.59 LYS VAL assign ( resid 20 and name HE2 ) ( resid 122 and name HN ) 5.48 3.88 0 !#SUP 2.63 LYS VAL assign ( resid 20 and name HE2 ) ( resid 122 and name QQG ) 3.95 2.35 0 !#SUP 6.85 LYS VAL assign ( resid 20 and name HE3 ) ( resid 122 and name QQG ) 4.21 2.61 0 !#SUP 4.69 LYS VAL assign ( resid 20 and name HG2 ) ( resid 122 and name QQG ) 5.29 3.69 0 !#SUP 5.48 LYS VAL assign ( resid 20 and name HG3 ) ( resid 122 and name QQG ) 4.75 3.15 0 !#SUP 6.9 LYS VAL assign ( resid 20 and name HN ) ( resid 122 and name QQG ) 4.85 3.25 0 !#SUP 5.17 LYS VAL assign ( resid 21 and name HA ) ( resid 21 and name HG3 ) 3.98 2.38 0 !#SUP 5.63 MET MET assign ( resid 21 and name HA ) ( resid 21 and name HE* ) 4.63 3.03 0 !#SUP 5.11 MET MET assign ( resid 21 and name HB2 ) ( resid 21 and name HE* ) 3.55 1.95 0 !#SUP 4.7 MET MET assign ( resid 21 and name HN ) ( resid 21 and name HB2 ) 3.55 1.95 0 !#SUP 7.66 MET MET assign ( resid 21 and name HN ) ( resid 21 and name HG3 ) 4.07 2.47 0 !#SUP 6.86 MET MET assign ( resid 21 and name HN ) ( resid 21 and name HB3 ) 3.75 2.15 0 !#SUP 6.95 MET MET assign ( resid 21 and name HN ) ( resid 21 and name HG2 ) 4.19 2.59 0 !#SUP 6.86 MET MET assign ( resid 21 and name HN ) ( resid 21 and name HE* ) 4.56 2.96 0 !#SUP 6.2 MET MET assign ( resid 21 and name HB2 ) ( resid 22 and name HN ) 4.39 2.79 0 !#SUP 7.07 MET GLY assign ( resid 21 and name HB3 ) ( resid 22 and name HN ) 4.78 3.18 0 !#SUP 6.28 MET GLY assign ( resid 21 and name HN ) ( resid 22 and name HN ) 3.59 1.99 0 !#SUP 6.94 MET GLY assign ( resid 21 and name HB2 ) ( resid 23 and name HN ) 4.93 3.33 0 !#SUP 2.79 MET VAL assign ( resid 21 and name HB2 ) ( resid 23 and name HG2* ) 3.97 2.37 0 !#SUP 4.26 MET VAL assign ( resid 21 and name HB3 ) ( resid 23 and name HG2* ) 3.75 2.15 0 !#SUP 3.85 MET VAL assign ( resid 21 and name HN ) ( resid 23 and name HG2* ) 4.75 3.15 0 !#SUP 3.08 MET VAL assign ( resid 21 and name HE* ) ( resid 95 and name HE ) 5.5 3.9 0 !#SUP 1.02 MET ARG assign ( resid 21 and name HE* ) ( resid 95 and name HD3 ) 4.51 2.91 0 !#SUP 1.13 MET ARG assign ( resid 21 and name HA ) ( resid 119 and name HD* ) 4.81 3.21 0 !#SUP 4.72 MET TYR assign ( resid 21 and name HA ) ( resid 119 and name HE* ) 3.73 2.13 0 !#SUP 6.38 MET TYR assign ( resid 21 and name HE* ) ( resid 119 and name HE* ) 5.38 3.78 0 !#SUP 3.89 MET TYR assign ( resid 21 and name HG3 ) ( resid 119 and name HB3 ) 5.5 3.9 0 !#SUP 0.24 MET TYR assign ( resid 21 and name HG3 ) ( resid 119 and name HE* ) 5.5 3.9 0 !#SUP 4.8 MET TYR assign ( resid 21 and name HN ) ( resid 119 and name HD* ) 5.5 3.9 0 !#SUP 6.45 MET TYR assign ( resid 21 and name HN ) ( resid 119 and name HE* ) 5.36 3.76 0 !#SUP 7.46 MET TYR assign ( resid 22 and name HA2 ) ( resid 23 and name HB ) 5.28 3.68 0 !#SUP 3.69 GLY VAL assign ( resid 22 and name HA3 ) ( resid 23 and name HG2* ) 5.5 3.9 0 !#SUP 4.51 GLY VAL assign ( resid 22 and name HN ) ( resid 23 and name HN ) 3.15 1.55 0 !#SUP 6.39 GLY VAL assign ( resid 22 and name HN ) ( resid 23 and name HB ) 4.44 2.84 0 !#SUP 4.79 GLY VAL assign ( resid 22 and name HN ) ( resid 23 and name HA ) 5.5 3.9 0 !#SUP 4.95 GLY VAL assign ( resid 22 and name HN ) ( resid 23 and name HG2* ) 4.32 2.72 0 !#SUP 7.6 GLY VAL assign ( resid 22 and name HN ) ( resid 119 and name HE* ) 5.5 3.9 0 !#SUP 1.97 GLY TYR assign ( resid 23 and name HA ) ( resid 23 and name HG1* ) 3.44 1.84 0 !#SUP 5.99 VAL VAL assign ( resid 23 and name HA ) ( resid 23 and name HG2* ) 3.22 1.62 0 !#SUP 6.35 VAL VAL assign ( resid 23 and name HN ) ( resid 23 and name HB ) 3.2 1.6 0 !#SUP 6.5 VAL VAL assign ( resid 23 and name HN ) ( resid 23 and name HG1* ) 4.22 2.62 0 !#SUP 5.82 VAL VAL assign ( resid 23 and name HN ) ( resid 23 and name HG2* ) 3.1 1.5 0 !#SUP 6.59 VAL VAL assign ( resid 23 and name HA ) ( resid 24 and name HN ) 2.8 1.2 0 !#SUP 7.31 VAL ASN assign ( resid 23 and name HA ) ( resid 24 and name HB2 ) 4.49 2.89 0 !#SUP 5.86 VAL ASN assign ( resid 23 and name HA ) ( resid 24 and name HB3 ) 4.7 3.1 0 !#SUP 6.2 VAL ASN assign ( resid 23 and name HA ) ( resid 24 and name HA ) 4.38 2.78 0 !#SUP 5.49 VAL ASN assign ( resid 23 and name HB ) ( resid 24 and name HN ) 4.77 3.17 0 !#SUP 5.6 VAL ASN assign ( resid 23 and name HG1* ) ( resid 24 and name HB3 ) 5.26 3.66 0 !#SUP 4.91 VAL ASN assign ( resid 23 and name HG1* ) ( resid 24 and name HN ) 3.57 1.97 0 !#SUP 6.18 VAL ASN assign ( resid 23 and name HG2* ) ( resid 24 and name HN ) 4.01 2.41 0 !#SUP 5.6 VAL ASN assign ( resid 23 and name HN ) ( resid 24 and name HN ) 4.56 2.96 0 !#SUP 5.85 VAL ASN assign ( resid 23 and name HA ) ( resid 27 and name HB3 ) 5.5 3.9 0 !#SUP 4.46 VAL LYS assign ( resid 23 and name HA ) ( resid 27 and name HG2 ) 5.31 3.71 0 !#SUP 6.46 VAL LYS assign ( resid 23 and name HA ) ( resid 27 and name HB2 ) 5.22 3.62 0 !#SUP 6.79 VAL LYS assign ( resid 23 and name HG1* ) ( resid 27 and name HB3 ) 4.29 2.69 0 !#SUP 9.12 VAL LYS assign ( resid 23 and name HG1* ) ( resid 27 and name HG3 ) 4.45 2.85 0 !#SUP 6.83 VAL LYS assign ( resid 23 and name HG1* ) ( resid 27 and name HB2 ) 4.16 2.56 0 !#SUP 10 VAL LYS assign ( resid 23 and name HG1* ) ( resid 27 and name HN ) 4.38 2.78 0 !#SUP 10 VAL LYS assign ( resid 23 and name HG1* ) ( resid 27 and name HA ) 5.5 3.9 0 !#SUP 8.04 VAL LYS assign ( resid 23 and name HB ) ( resid 28 and name HD3 ) 5.11 3.51 0 !#SUP 2.25 VAL ARG assign ( resid 23 and name HB ) ( resid 28 and name HG3 ) 4.7 3.1 0 !#SUP 3.62 VAL ARG assign ( resid 23 and name HB ) ( resid 28 and name HN ) 5.5 3.9 0 !#SUP 4.03 VAL ARG assign ( resid 23 and name HB ) ( resid 28 and name HD2 ) 5.49 3.89 0 !#SUP 4.31 VAL ARG assign ( resid 23 and name HG1* ) ( resid 28 and name HE ) 5.5 3.9 0 !#SUP 5.33 VAL ARG assign ( resid 23 and name HG1* ) ( resid 28 and name HD2 ) 5.5 3.9 0 !#SUP 9.99 VAL ARG assign ( resid 23 and name HG1* ) ( resid 28 and name HB3 ) 5.5 3.9 0 !#SUP 6.08 VAL ARG assign ( resid 23 and name HG1* ) ( resid 28 and name HB2 ) 4.57 2.97 0 !#SUP 6.19 VAL ARG assign ( resid 23 and name HG1* ) ( resid 28 and name HA ) 4.54 2.94 0 !#SUP 6.6 VAL ARG assign ( resid 23 and name HG1* ) ( resid 28 and name HN ) 3.81 2.21 0 !#SUP 10 VAL ARG assign ( resid 23 and name HG1* ) ( resid 28 and name HG2 ) 3.45 1.85 0 !#SUP 7.97 VAL ARG assign ( resid 23 and name HG1* ) ( resid 28 and name HG3 ) 4.45 2.85 0 !#SUP 8.57 VAL ARG assign ( resid 23 and name HN ) ( resid 28 and name HD2 ) 5.5 3.9 0 !#SUP 1.5 VAL ARG assign ( resid 24 and name HA ) ( resid 24 and name HD21 ) 5.27 3.67 0 !#SUP 6.46 ASN ASN assign ( resid 24 and name HA ) ( resid 24 and name HD22 ) 4.5 2.9 0 !#SUP 6.92 ASN ASN assign ( resid 24 and name HB2 ) ( resid 24 and name HD22 ) 4.06 2.46 0 !#SUP 6.63 ASN ASN assign ( resid 24 and name HB3 ) ( resid 24 and name HD22 ) 4.05 2.45 0 !#SUP 6.92 ASN ASN assign ( resid 24 and name HN ) ( resid 24 and name HD22 ) 5.5 3.9 0 !#SUP 7.1 ASN ASN assign ( resid 24 and name HN ) ( resid 24 and name HB2 ) 3.28 1.68 0 !#SUP 7.81 ASN ASN assign ( resid 24 and name HN ) ( resid 24 and name HB3 ) 3.3 1.7 0 !#SUP 8.07 ASN ASN assign ( resid 24 and name HA ) ( resid 25 and name HA ) 4.69 3.09 0 !#SUP 6.82 ASN ILE assign ( resid 24 and name HA ) ( resid 25 and name HG2* ) 3.97 2.37 0 !#SUP 8.52 ASN ILE assign ( resid 24 and name HA ) ( resid 25 and name HN ) 2.84 1.24 0 !#SUP 8.76 ASN ILE assign ( resid 24 and name HB2 ) ( resid 25 and name HN ) 4 2.4 0 !#SUP 8.08 ASN ILE assign ( resid 24 and name HB2 ) ( resid 25 and name HG2* ) 5.23 3.63 0 !#SUP 7.84 ASN ILE assign ( resid 24 and name HB3 ) ( resid 25 and name HN ) 3.94 2.34 0 !#SUP 8.08 ASN ILE assign ( resid 24 and name HB3 ) ( resid 25 and name HG2* ) 5.5 3.9 0 !#SUP 7.84 ASN ILE assign ( resid 24 and name HD21 ) ( resid 25 and name HN ) 5.43 3.83 0 !#SUP 9.31 ASN ILE assign ( resid 24 and name HD21 ) ( resid 25 and name HG2* ) 4.92 3.32 0 !#SUP 9.45 ASN ILE assign ( resid 24 and name HD22 ) ( resid 25 and name HG2* ) 5.38 3.78 0 !#SUP 6.98 ASN ILE assign ( resid 24 and name HD22 ) ( resid 25 and name HN ) 5.06 3.46 0 !#SUP 7.35 ASN ILE assign ( resid 24 and name HN ) ( resid 25 and name HN ) 4.66 3.06 0 !#SUP 5.89 ASN ILE assign ( resid 24 and name HA ) ( resid 26 and name HN ) 4.46 2.86 0 !#SUP 7.13 ASN VAL assign ( resid 24 and name HB2 ) ( resid 26 and name HN ) 4.54 2.94 0 !#SUP 7.29 ASN VAL assign ( resid 24 and name HB3 ) ( resid 26 and name HN ) 4.66 3.06 0 !#SUP 8.1 ASN VAL assign ( resid 24 and name HD21 ) ( resid 26 and name HN ) 5.23 3.63 0 !#SUP 9.74 ASN VAL assign ( resid 24 and name HD21 ) ( resid 26 and name HA ) 5.5 3.9 0 !#SUP 5.24 ASN VAL assign ( resid 24 and name HD21 ) ( resid 26 and name HB ) 5.5 3.9 0 !#SUP 6.49 ASN VAL assign ( resid 24 and name HD21 ) ( resid 26 and name HG1* ) 5.06 3.46 0 !#SUP 2.89 ASN VAL assign ( resid 24 and name HA ) ( resid 27 and name HN ) 5.5 3.9 0 !#SUP 4.26 ASN LYS assign ( resid 24 and name HB2 ) ( resid 27 and name HN ) 4.92 3.32 0 !#SUP 6.3 ASN LYS assign ( resid 24 and name HB2 ) ( resid 27 and name HB2 ) 4.59 2.99 0 !#SUP 6.7 ASN LYS assign ( resid 24 and name HB2 ) ( resid 27 and name HG2 ) 5.06 3.46 0 !#SUP 7.19 ASN LYS assign ( resid 24 and name HB3 ) ( resid 27 and name HN ) 4.35 2.75 0 !#SUP 8 ASN LYS assign ( resid 24 and name HB3 ) ( resid 27 and name HB2 ) 4.28 2.68 0 !#SUP 8.41 ASN LYS assign ( resid 24 and name HB3 ) ( resid 27 and name HG2 ) 4.31 2.71 0 !#SUP 8.31 ASN LYS assign ( resid 24 and name HB3 ) ( resid 27 and name HA ) 4.98 3.38 0 !#SUP 4.26 ASN LYS assign ( resid 24 and name HD21 ) ( resid 27 and name HN ) 4.7 3.1 0 !#SUP 7.12 ASN LYS assign ( resid 24 and name HD21 ) ( resid 27 and name HG2 ) 5.23 3.63 0 !#SUP 5.77 ASN LYS assign ( resid 24 and name HD22 ) ( resid 27 and name HB2 ) 5.5 3.9 0 !#SUP 5.55 ASN LYS assign ( resid 24 and name HD22 ) ( resid 27 and name HG3 ) 5.5 3.9 0 !#SUP 2.01 ASN LYS assign ( resid 24 and name HD22 ) ( resid 27 and name HG2 ) 5.43 3.83 0 !#SUP 6.02 ASN LYS assign ( resid 24 and name HN ) ( resid 27 and name HB2 ) 4.52 2.92 0 !#SUP 7.06 ASN LYS assign ( resid 24 and name HN ) ( resid 27 and name HG2 ) 5.04 3.44 0 !#SUP 6.67 ASN LYS assign ( resid 24 and name HN ) ( resid 27 and name HB3 ) 5.23 3.63 0 !#SUP 4.97 ASN LYS assign ( resid 24 and name HN ) ( resid 28 and name HN ) 5.5 3.9 0 !#SUP 3.91 ASN ARG assign ( resid 25 and name HA ) ( resid 25 and name HG13 ) 3.61 2.01 0 !#SUP 6.6 ILE ILE assign ( resid 25 and name HA ) ( resid 25 and name HG12 ) 3.84 2.24 0 !#SUP 6.08 ILE ILE assign ( resid 25 and name HA ) ( resid 25 and name HB ) 2.89 1.29 0 !#SUP 6.77 ILE ILE assign ( resid 25 and name HA ) ( resid 25 and name HG2* ) 3.38 1.78 0 !#SUP 8.47 ILE ILE assign ( resid 25 and name HA ) ( resid 25 and name HD1* ) 3.77 2.17 0 !#SUP 4.54 ILE ILE assign ( resid 25 and name HB ) ( resid 25 and name HD1* ) 3.4 1.8 0 !#SUP 4.43 ILE ILE assign ( resid 25 and name HG2* ) ( resid 25 and name HG13 ) 3.72 2.12 0 !#SUP 7.61 ILE ILE assign ( resid 25 and name HG2* ) ( resid 25 and name HG12 ) 3.11 1.51 0 !#SUP 7.17 ILE ILE assign ( resid 25 and name HN ) ( resid 25 and name HG13 ) 4.33 2.73 0 !#SUP 7.65 ILE ILE assign ( resid 25 and name HN ) ( resid 25 and name HB ) 3.02 1.42 0 !#SUP 8.02 ILE ILE assign ( resid 25 and name HN ) ( resid 25 and name HG2* ) 3.07 1.47 0 !#SUP 10 ILE ILE assign ( resid 25 and name HB ) ( resid 26 and name HN ) 3.83 2.23 0 !#SUP 8.06 ILE VAL assign ( resid 25 and name HG12 ) ( resid 26 and name HN ) 5.5 3.9 0 !#SUP 7.78 ILE VAL assign ( resid 25 and name HG13 ) ( resid 26 and name HN ) 5.05 3.45 0 !#SUP 8.06 ILE VAL assign ( resid 25 and name HG2* ) ( resid 26 and name HN ) 2.99 1.39 0 !#SUP 10 ILE VAL assign ( resid 25 and name HG2* ) ( resid 26 and name HB ) 4.31 2.71 0 !#SUP 5.93 ILE VAL assign ( resid 25 and name HN ) ( resid 26 and name HB ) 5.5 3.9 0 !#SUP 5.11 ILE VAL assign ( resid 25 and name HN ) ( resid 26 and name HN ) 3.58 1.98 0 !#SUP 9.71 ILE VAL assign ( resid 25 and name HA ) ( resid 28 and name HN ) 3.69 2.09 0 !#SUP 5.58 ILE ARG assign ( resid 25 and name HA ) ( resid 28 and name HE ) 5.07 3.47 0 !#SUP 6.28 ILE ARG assign ( resid 25 and name HA ) ( resid 28 and name HB3 ) 3.9 2.3 0 !#SUP 4.74 ILE ARG assign ( resid 25 and name HA ) ( resid 28 and name HB2 ) 3.89 2.29 0 !#SUP 5.08 ILE ARG assign ( resid 25 and name HA ) ( resid 28 and name HG2 ) 4.81 3.21 0 !#SUP 4.74 ILE ARG assign ( resid 25 and name HA ) ( resid 28 and name HD2 ) 5.43 3.83 0 !#SUP 4.2 ILE ARG assign ( resid 25 and name HA ) ( resid 28 and name HD3 ) 4.56 2.96 0 !#SUP 7.93 ILE ARG assign ( resid 25 and name HB ) ( resid 28 and name HD3 ) 5.5 3.9 0 !#SUP 2.58 ILE ARG assign ( resid 25 and name HD1* ) ( resid 28 and name HD3 ) 5.23 3.63 0 !#SUP 3.21 ILE ARG assign ( resid 25 and name HD1* ) ( resid 29 and name HD* ) 4.69 3.09 0 !#SUP 2.68 ILE LYS assign ( resid 25 and name HG12 ) ( resid 29 and name HN ) 5.5 3.9 0 !#SUP 1.56 ILE LYS assign ( resid 25 and name HG13 ) ( resid 29 and name HN ) 5.3 3.7 0 !#SUP 3.36 ILE LYS assign ( resid 25 and name HG2* ) ( resid 29 and name HD* ) 5.13 3.53 0 !#SUP 1.16 ILE LYS assign ( resid 26 and name HA ) ( resid 26 and name HG1* ) 2.89 1.29 0 !#SUP 3.96 VAL VAL assign ( resid 26 and name HA ) ( resid 26 and name HG2* ) 3.13 1.53 0 !#SUP 5.27 VAL VAL assign ( resid 26 and name HN ) ( resid 26 and name HB ) 2.91 1.31 0 !#SUP 6.39 VAL VAL assign ( resid 26 and name HN ) ( resid 26 and name HG2* ) 3.57 1.97 0 !#SUP 4.85 VAL VAL assign ( resid 26 and name HA ) ( resid 27 and name HA ) 5.5 3.9 0 !#SUP 5.22 VAL LYS assign ( resid 26 and name HB ) ( resid 27 and name HN ) 3.29 1.69 0 !#SUP 5.46 VAL LYS assign ( resid 26 and name HB ) ( resid 27 and name HG3 ) 5.37 3.77 0 !#SUP 3.9 VAL LYS assign ( resid 26 and name HG1* ) ( resid 27 and name HA ) 5.28 3.68 0 !#SUP 3.56 VAL LYS assign ( resid 26 and name HG2* ) ( resid 27 and name HN ) 3.93 2.33 0 !#SUP 5.03 VAL LYS assign ( resid 26 and name HG2* ) ( resid 27 and name HA ) 5.5 3.9 0 !#SUP 4.54 VAL LYS assign ( resid 26 and name HA ) ( resid 29 and name HN ) 3.87 2.27 0 !#SUP 5.14 VAL LYS assign ( resid 26 and name HA ) ( resid 29 and name HB* ) 3.68 2.08 0 !#SUP 5.21 VAL LYS assign ( resid 26 and name HA ) ( resid 29 and name HG2 ) 5.23 3.63 0 !#SUP 4.19 VAL LYS assign ( resid 26 and name HG2* ) ( resid 29 and name HB* ) 5.5 3.9 0 !#SUP 0.75 VAL LYS assign ( resid 26 and name HA ) ( resid 30 and name HN ) 4.75 3.15 0 !#SUP 6.82 VAL LEU assign ( resid 26 and name HA ) ( resid 30 and name HD1* ) 5.48 3.88 0 !#SUP 4.7 VAL LEU assign ( resid 26 and name HG1* ) ( resid 30 and name HD1* ) 4.27 2.67 0 !#SUP 2.95 VAL LEU assign ( resid 26 and name HG1* ) ( resid 30 and name HD2* ) 4.01 2.41 0 !#SUP 0.75 VAL LEU assign ( resid 27 and name HA ) ( resid 27 and name HG2 ) 3.92 2.32 0 !#SUP 5.59 LYS LYS assign ( resid 27 and name HA ) ( resid 27 and name HG3 ) 3.8 2.2 0 !#SUP 6.52 LYS LYS assign ( resid 27 and name HN ) ( resid 27 and name HB2 ) 3.22 1.62 0 !#SUP 5.53 LYS LYS assign ( resid 27 and name HN ) ( resid 27 and name HG2 ) 3.4 1.8 0 !#SUP 5.65 LYS LYS assign ( resid 27 and name HN ) ( resid 27 and name HG3 ) 3.89 2.29 0 !#SUP 6.92 LYS LYS assign ( resid 27 and name HN ) ( resid 27 and name HB3 ) 3.67 2.07 0 !#SUP 6.46 LYS LYS assign ( resid 27 and name HB3 ) ( resid 28 and name HN ) 4.29 2.69 0 !#SUP 6.08 LYS ARG assign ( resid 27 and name HG3 ) ( resid 28 and name HN ) 5.5 3.9 0 !#SUP 6.14 LYS ARG assign ( resid 27 and name HN ) ( resid 28 and name HN ) 3.14 1.54 0 !#SUP 7.13 LYS ARG assign ( resid 27 and name HN ) ( resid 28 and name HA ) 5.17 3.57 0 !#SUP 5.67 LYS ARG assign ( resid 27 and name HA ) ( resid 30 and name HD1* ) 5.45 3.85 0 !#SUP 3.76 LYS LEU assign ( resid 27 and name HA ) ( resid 30 and name HN ) 3.91 2.31 0 !#SUP 6.07 LYS LEU assign ( resid 27 and name HA ) ( resid 30 and name HB3 ) 3.07 1.47 0 !#SUP 1.5 LYS LEU assign ( resid 27 and name HB3 ) ( resid 30 and name HN ) 5.5 3.9 0 !#SUP 3.22 LYS LEU assign ( resid 27 and name HN ) ( resid 30 and name HN ) 5.35 3.75 0 !#SUP 3.75 LYS LEU assign ( resid 28 and name HA ) ( resid 28 and name HG2 ) 3.7 2.1 0 !#SUP 7.39 ARG ARG assign ( resid 28 and name HA ) ( resid 28 and name HG3 ) 3.32 1.72 0 !#SUP 7.83 ARG ARG assign ( resid 28 and name HA ) ( resid 28 and name HD3 ) 5.04 3.44 0 !#SUP 7.4 ARG ARG assign ( resid 28 and name HA ) ( resid 28 and name HD2 ) 5.47 3.87 0 !#SUP 7.07 ARG ARG assign ( resid 28 and name HB2 ) ( resid 28 and name HE ) 4.29 2.69 0 !#SUP 6.5 ARG ARG assign ( resid 28 and name HB3 ) ( resid 28 and name HE ) 4.59 2.99 0 !#SUP 5.88 ARG ARG assign ( resid 28 and name HN ) ( resid 28 and name HB3 ) 3.63 2.03 0 !#SUP 6.95 ARG ARG assign ( resid 28 and name HN ) ( resid 28 and name HB2 ) 3.35 1.75 0 !#SUP 8.57 ARG ARG assign ( resid 28 and name HN ) ( resid 28 and name HD3 ) 5.5 3.9 0 !#SUP 7.85 ARG ARG assign ( resid 28 and name HN ) ( resid 28 and name HG2 ) 4.17 2.57 0 !#SUP 7.86 ARG ARG assign ( resid 28 and name HB2 ) ( resid 29 and name HA ) 4.8 3.2 0 !#SUP 5.02 ARG LYS assign ( resid 28 and name HB2 ) ( resid 29 and name HN ) 4.42 2.82 0 !#SUP 7.16 ARG LYS assign ( resid 28 and name HG3 ) ( resid 29 and name HN ) 5.02 3.42 0 !#SUP 6.41 ARG LYS assign ( resid 28 and name HN ) ( resid 29 and name HN ) 3.36 1.76 0 !#SUP 7.21 ARG LYS assign ( resid 28 and name HN ) ( resid 29 and name HB* ) 5.43 3.83 0 !#SUP 5.84 ARG LYS assign ( resid 28 and name HA ) ( resid 30 and name HN ) 4.69 3.09 0 !#SUP 6.11 ARG LEU assign ( resid 28 and name HN ) ( resid 30 and name HN ) 4.86 3.26 0 !#SUP 6.18 ARG LEU assign ( resid 28 and name HA ) ( resid 31 and name HN ) 4.17 2.57 0 !#SUP 4.23 ARG ALA assign ( resid 28 and name HA ) ( resid 31 and name HB* ) 3.66 2.06 0 !#SUP 1.84 ARG ALA assign ( resid 28 and name HA ) ( resid 32 and name HN ) 5.02 3.42 0 !#SUP 2.02 ARG ALA assign ( resid 29 and name HA ) ( resid 29 and name HB* ) 2.8 1.2 0 !#SUP 4.97 LYS LYS assign ( resid 29 and name HA ) ( resid 29 and name HG2 ) 3.47 1.87 0 !#SUP 4.64 LYS LYS assign ( resid 29 and name HA ) ( resid 29 and name HG3 ) 3.3 1.7 0 !#SUP 3.98 LYS LYS assign ( resid 29 and name HG3 ) ( resid 29 and name HD* ) 2.72 1.12 0 !#SUP 2.79 LYS LYS assign ( resid 29 and name HN ) ( resid 29 and name HB* ) 2.78 1.18 0 !#SUP 6.98 LYS LYS assign ( resid 29 and name HN ) ( resid 29 and name HG2 ) 3.34 1.74 0 !#SUP 5.94 LYS LYS assign ( resid 29 and name HN ) ( resid 29 and name HG3 ) 3.81 2.21 0 !#SUP 5.68 LYS LYS assign ( resid 29 and name HB* ) ( resid 30 and name HN ) 3.12 1.52 0 !#SUP 7.19 LYS LEU assign ( resid 29 and name HG2 ) ( resid 30 and name HN ) 5.5 3.9 0 !#SUP 6.22 LYS LEU assign ( resid 29 and name HN ) ( resid 30 and name HN ) 3.19 1.59 0 !#SUP 9.86 LYS LEU assign ( resid 29 and name HN ) ( resid 30 and name HB3 ) 5.13 3.53 0 !#SUP 6.02 LYS LEU assign ( resid 29 and name HN ) ( resid 30 and name HG ) 5.5 3.9 0 !#SUP 5.69 LYS LEU assign ( resid 29 and name HA ) ( resid 31 and name HN ) 4.79 3.19 0 !#SUP 5.04 LYS ALA assign ( resid 29 and name HN ) ( resid 31 and name HN ) 5.41 3.81 0 !#SUP 5.97 LYS ALA assign ( resid 29 and name HA ) ( resid 32 and name HN ) 4.05 2.45 0 !#SUP 3.71 LYS ALA assign ( resid 29 and name HA ) ( resid 33 and name HD2 ) 3.57 1.97 0 !#SUP 2.28 LYS HIS assign ( resid 29 and name HB* ) ( resid 33 and name HB3 ) 4.59 2.99 0 !#SUP 1.81 LYS HIS assign ( resid 29 and name HB* ) ( resid 33 and name HB2 ) 5.5 3.9 0 !#SUP 1.89 LYS HIS assign ( resid 29 and name HN ) ( resid 33 and name HD2 ) 5.5 3.9 0 !#SUP 1.4 LYS HIS assign ( resid 30 and name HA ) ( resid 30 and name HD1* ) 3.29 1.69 0 !#SUP 5.31 LEU LEU assign ( resid 30 and name HA ) ( resid 30 and name HD2* ) 3.73 2.13 0 !#SUP 6 LEU LEU assign ( resid 30 and name HB2 ) ( resid 30 and name HD1* ) 3.54 1.94 0 !#SUP 5.4 LEU LEU assign ( resid 30 and name HB2 ) ( resid 30 and name HD2* ) 3.62 2.02 0 !#SUP 5.98 LEU LEU assign ( resid 30 and name HB3 ) ( resid 30 and name HD2* ) 4.15 2.55 0 !#SUP 6.31 LEU LEU assign ( resid 30 and name HN ) ( resid 30 and name HB2 ) 3.46 1.86 0 !#SUP 7.51 LEU LEU assign ( resid 30 and name HN ) ( resid 30 and name HD2* ) 4.52 2.92 0 !#SUP 7.44 LEU LEU assign ( resid 30 and name HN ) ( resid 30 and name HB3 ) 3.36 1.76 0 !#SUP 8.04 LEU LEU assign ( resid 30 and name HN ) ( resid 30 and name HG ) 3.73 2.13 0 !#SUP 7.95 LEU LEU assign ( resid 30 and name HN ) ( resid 30 and name HD1* ) 3.93 2.33 0 !#SUP 6.83 LEU LEU assign ( resid 30 and name HB2 ) ( resid 31 and name HN ) 3.81 2.21 0 !#SUP 7.97 LEU ALA assign ( resid 30 and name HB3 ) ( resid 31 and name HN ) 3.96 2.36 0 !#SUP 8.47 LEU ALA assign ( resid 30 and name HD2* ) ( resid 31 and name HN ) 5.37 3.77 0 !#SUP 6.48 LEU ALA assign ( resid 30 and name HG ) ( resid 31 and name HN ) 5.18 3.58 0 !#SUP 7.27 LEU ALA assign ( resid 30 and name HN ) ( resid 31 and name HN ) 3.13 1.53 0 !#SUP 9.31 LEU ALA assign ( resid 30 and name HB2 ) ( resid 32 and name HN ) 4.74 3.14 0 !#SUP 4.32 LEU ALA assign ( resid 30 and name HB3 ) ( resid 32 and name HN ) 4.82 3.22 0 !#SUP 5.61 LEU ALA assign ( resid 30 and name HD1* ) ( resid 32 and name HN ) 5.5 3.9 0 !#SUP 5.49 LEU ALA assign ( resid 30 and name HN ) ( resid 32 and name HN ) 3.99 2.39 0 !#SUP 5.2 LEU ALA assign ( resid 30 and name HA ) ( resid 33 and name HB2 ) 5.37 3.77 0 !#SUP 2.5 LEU HIS assign ( resid 30 and name HA ) ( resid 33 and name HB3 ) 4.72 3.12 0 !#SUP 3.5 LEU HIS assign ( resid 30 and name HA ) ( resid 33 and name HN ) 4.97 3.37 0 !#SUP 5.76 LEU HIS assign ( resid 30 and name HB3 ) ( resid 33 and name HN ) 5.38 3.78 0 !#SUP 4.46 LEU HIS assign ( resid 30 and name HD1* ) ( resid 33 and name HN ) 5.5 3.9 0 !#SUP 4.88 LEU HIS assign ( resid 30 and name HD1* ) ( resid 33 and name HB3 ) 5.5 3.9 0 !#SUP 2.63 LEU HIS assign ( resid 30 and name HD2* ) ( resid 34 and name HB2 ) 5.5 3.9 0 !#SUP 0.98 LEU ASP assign ( resid 30 and name HD1* ) ( resid 54 and name HB* ) 4.39 2.79 0 !#SUP 1.5 LEU ALA assign ( resid 30 and name HD1* ) ( resid 55 and name HN ) 5.5 3.9 0 !#SUP 2.55 LEU PHE assign ( resid 30 and name HD1* ) ( resid 55 and name HB2 ) 5.25 3.65 0 !#SUP 2.49 LEU PHE assign ( resid 30 and name HD1* ) ( resid 55 and name HB3 ) 5.5 3.9 0 !#SUP 2.58 LEU PHE assign ( resid 30 and name HD1* ) ( resid 55 and name HD* ) 3.98 2.38 0 !#SUP 2.05 LEU PHE assign ( resid 30 and name HD2* ) ( resid 55 and name HA ) 5.5 3.9 0 !#SUP 0.02 LEU PHE assign ( resid 31 and name HN ) ( resid 31 and name HB* ) 3.09 1.49 0 !#SUP 5.44 ALA ALA assign ( resid 31 and name HB* ) ( resid 32 and name HN ) 3.6 2 0 !#SUP 5.58 ALA ALA assign ( resid 31 and name HB* ) ( resid 32 and name HB* ) 4.23 2.63 0 !#SUP 3.85 ALA ALA assign ( resid 31 and name HN ) ( resid 32 and name HN ) 3.51 1.91 0 !#SUP 8.19 ALA ALA assign ( resid 31 and name HN ) ( resid 32 and name HB* ) 4.36 2.76 0 !#SUP 4.39 ALA ALA assign ( resid 31 and name HN ) ( resid 32 and name HA ) 5.36 3.76 0 !#SUP 3.77 ALA ALA assign ( resid 31 and name HA ) ( resid 33 and name HN ) 5.5 3.9 0 !#SUP 5.88 ALA HIS assign ( resid 31 and name HB* ) ( resid 33 and name HN ) 5.11 3.51 0 !#SUP 5.81 ALA HIS assign ( resid 31 and name HN ) ( resid 33 and name HN ) 5.49 3.89 0 !#SUP 6.89 ALA HIS assign ( resid 31 and name HA ) ( resid 34 and name HB2 ) 3.46 1.86 0 !#SUP 2.53 ALA ASP assign ( resid 31 and name HB* ) ( resid 34 and name HB2 ) 5.5 3.9 0 !#SUP 2.85 ALA ASP assign ( resid 31 and name HB* ) ( resid 34 and name HB3 ) 5.5 3.9 0 !#SUP 0.99 ALA ASP assign ( resid 31 and name HA ) ( resid 55 and name HZ ) 4.01 2.41 0 !#SUP 0.75 ALA PHE assign ( resid 31 and name HB* ) ( resid 55 and name HZ ) 3.84 2.24 0 !#SUP 0.75 ALA PHE assign ( resid 32 and name HN ) ( resid 32 and name HB* ) 2.92 1.32 0 !#SUP 5.63 ALA ALA assign ( resid 32 and name HA ) ( resid 33 and name HA ) 5.16 3.56 0 !#SUP 4.81 ALA HIS assign ( resid 32 and name HB* ) ( resid 33 and name HB3 ) 4.75 3.15 0 !#SUP 4.62 ALA HIS assign ( resid 32 and name HB* ) ( resid 33 and name HN ) 3.72 2.12 0 !#SUP 7.99 ALA HIS assign ( resid 32 and name HB* ) ( resid 33 and name HA ) 5.39 3.79 0 !#SUP 5.44 ALA HIS assign ( resid 32 and name HN ) ( resid 33 and name HN ) 3.22 1.62 0 !#SUP 6.87 ALA HIS assign ( resid 32 and name HN ) ( resid 33 and name HA ) 5.21 3.61 0 !#SUP 3.87 ALA HIS assign ( resid 32 and name HB* ) ( resid 34 and name HN ) 5.32 3.72 0 !#SUP 4.5 ALA ASP assign ( resid 33 and name HB3 ) ( resid 33 and name HD2 ) 3.25 1.65 0 !#SUP 3.4 HIS HIS assign ( resid 33 and name HN ) ( resid 33 and name HB3 ) 3.5 1.9 0 !#SUP 5.84 HIS HIS assign ( resid 33 and name HN ) ( resid 33 and name HB2 ) 3.86 2.26 0 !#SUP 5.27 HIS HIS assign ( resid 33 and name HN ) ( resid 33 and name HD2 ) 4.01 2.41 0 !#SUP 4.41 HIS HIS assign ( resid 33 and name HA ) ( resid 34 and name HN ) 3.13 1.53 0 !#SUP 8.41 HIS ASP assign ( resid 33 and name HA ) ( resid 34 and name HA ) 5.3 3.7 0 !#SUP 4.59 HIS ASP assign ( resid 33 and name HB2 ) ( resid 34 and name HN ) 4.43 2.83 0 !#SUP 7.2 HIS ASP assign ( resid 33 and name HB3 ) ( resid 34 and name HN ) 5.5 3.9 0 !#SUP 5.51 HIS ASP assign ( resid 33 and name HN ) ( resid 34 and name HN ) 3.33 1.73 0 !#SUP 7.2 HIS ASP assign ( resid 33 and name HA ) ( resid 35 and name HD22 ) 5.5 3.9 0 !#SUP 2.88 HIS ASN assign ( resid 33 and name HA ) ( resid 35 and name HN ) 3.8 2.2 0 !#SUP 5.78 HIS ASN assign ( resid 33 and name HB2 ) ( resid 35 and name HD22 ) 5.5 3.9 0 !#SUP 2.95 HIS ASN assign ( resid 33 and name HB2 ) ( resid 35 and name HD21 ) 5.5 3.9 0 !#SUP 2.81 HIS ASN assign ( resid 33 and name HB2 ) ( resid 35 and name HN ) 5.5 3.9 0 !#SUP 4.75 HIS ASN assign ( resid 33 and name HN ) ( resid 35 and name HN ) 4.96 3.36 0 !#SUP 3.21 HIS ASN assign ( resid 34 and name HN ) ( resid 34 and name HB2 ) 3.34 1.74 0 !#SUP 4.87 ASP ASP assign ( resid 34 and name HN ) ( resid 34 and name HB3 ) 3.91 2.31 0 !#SUP 4.54 ASP ASP assign ( resid 34 and name HN ) ( resid 35 and name HN ) 3.16 1.56 0 !#SUP 9.07 ASP ASN assign ( resid 34 and name HN ) ( resid 35 and name HD21 ) 4.82 3.22 0 !#SUP 5.73 ASP ASN assign ( resid 34 and name HN ) ( resid 35 and name HA ) 4.91 3.31 0 !#SUP 6.02 ASP ASN assign ( resid 34 and name HA ) ( resid 36 and name HN ) 5.23 3.63 0 !#SUP 4.37 ASP LEU assign ( resid 34 and name HB3 ) ( resid 36 and name HN ) 5.21 3.61 0 !#SUP 4.95 ASP LEU assign ( resid 34 and name HN ) ( resid 36 and name HN ) 4.84 3.24 0 !#SUP 8.02 ASP LEU assign ( resid 34 and name HN ) ( resid 36 and name HB2 ) 5.5 3.9 0 !#SUP 2.26 ASP LEU assign ( resid 34 and name HB3 ) ( resid 53 and name HB2 ) 4.49 2.89 0 !#SUP 3 ASP SER assign ( resid 34 and name HB3 ) ( resid 53 and name HB3 ) 3.88 2.28 0 !#SUP 3.46 ASP SER assign ( resid 34 and name HB3 ) ( resid 53 and name HA ) 4.88 3.28 0 !#SUP 6.12 ASP SER assign ( resid 34 and name HA ) ( resid 54 and name HN ) 3.87 2.27 0 !#SUP 5.3 ASP ALA assign ( resid 34 and name HA ) ( resid 54 and name HB* ) 3.6 2 0 !#SUP 6.08 ASP ALA assign ( resid 34 and name HB2 ) ( resid 54 and name HN ) 4.39 2.79 0 !#SUP 4.26 ASP ALA assign ( resid 34 and name HB2 ) ( resid 54 and name HB* ) 4.13 2.53 0 !#SUP 5.28 ASP ALA assign ( resid 34 and name HB3 ) ( resid 54 and name HN ) 4.43 2.83 0 !#SUP 7.41 ASP ALA assign ( resid 34 and name HB3 ) ( resid 54 and name HB* ) 4.28 2.68 0 !#SUP 7.88 ASP ALA assign ( resid 34 and name HN ) ( resid 54 and name HB* ) 5.45 3.85 0 !#SUP 5.91 ASP ALA assign ( resid 34 and name HN ) ( resid 54 and name HN ) 5.27 3.67 0 !#SUP 4.69 ASP ALA assign ( resid 35 and name HA ) ( resid 35 and name HD22 ) 5.29 3.69 0 !#SUP 3.75 ASN ASN assign ( resid 35 and name HB2 ) ( resid 35 and name HD22 ) 4.09 2.49 0 !#SUP 3.59 ASN ASN assign ( resid 35 and name HB3 ) ( resid 35 and name HD22 ) 3.55 1.95 0 !#SUP 3.74 ASN ASN assign ( resid 35 and name HB3 ) ( resid 35 and name HD21 ) 4.04 2.44 0 !#SUP 4.07 ASN ASN assign ( resid 35 and name HN ) ( resid 35 and name HA ) 2.85 1.25 0 !#SUP 5.72 ASN ASN assign ( resid 35 and name HN ) ( resid 35 and name HB2 ) 4.12 2.52 0 !#SUP 5.6 ASN ASN assign ( resid 35 and name HN ) ( resid 35 and name HD21 ) 5.44 3.84 0 !#SUP 5.16 ASN ASN assign ( resid 35 and name HN ) ( resid 35 and name HB3 ) 3.87 2.27 0 !#SUP 5.74 ASN ASN assign ( resid 35 and name HA ) ( resid 36 and name HN ) 3.49 1.89 0 !#SUP 6.9 ASN LEU assign ( resid 35 and name HB2 ) ( resid 36 and name HN ) 4.43 2.83 0 !#SUP 6.77 ASN LEU assign ( resid 35 and name HB3 ) ( resid 36 and name HN ) 4.74 3.14 0 !#SUP 6.92 ASN LEU assign ( resid 35 and name HN ) ( resid 36 and name HN ) 3.5 1.9 0 !#SUP 8 ASN LEU assign ( resid 35 and name HB2 ) ( resid 53 and name HA ) 5.41 3.81 0 !#SUP 5.28 ASN SER assign ( resid 35 and name HB3 ) ( resid 53 and name HA ) 4.87 3.27 0 !#SUP 6.8 ASN SER assign ( resid 35 and name HB2 ) ( resid 54 and name HB* ) 5.5 3.9 0 !#SUP 5.06 ASN ALA assign ( resid 35 and name HB3 ) ( resid 54 and name HN ) 4.4 2.8 0 !#SUP 3.39 ASN ALA assign ( resid 35 and name HB3 ) ( resid 54 and name HB* ) 4.3 2.7 0 !#SUP 6.28 ASN ALA assign ( resid 35 and name HD21 ) ( resid 54 and name HB* ) 5.39 3.79 0 !#SUP 3.8 ASN ALA assign ( resid 35 and name HD22 ) ( resid 54 and name HB* ) 5.11 3.51 0 !#SUP 4.64 ASN ALA assign ( resid 36 and name HA ) ( resid 36 and name HD2* ) 4.68 3.08 0 !#SUP 5.04 LEU LEU assign ( resid 36 and name HA ) ( resid 36 and name HD1* ) 3.24 1.64 0 !#SUP 7.26 LEU LEU assign ( resid 36 and name HA ) ( resid 36 and name HG ) 3.98 2.38 0 !#SUP 5.69 LEU LEU assign ( resid 36 and name HB2 ) ( resid 36 and name HD2* ) 3.74 2.14 0 !#SUP 4.55 LEU LEU assign ( resid 36 and name HB2 ) ( resid 36 and name HD1* ) 3.76 2.16 0 !#SUP 6.04 LEU LEU assign ( resid 36 and name HB3 ) ( resid 36 and name HD2* ) 4.12 2.52 0 !#SUP 5.38 LEU LEU assign ( resid 36 and name HN ) ( resid 36 and name HB3 ) 3.24 1.64 0 !#SUP 6.36 LEU LEU assign ( resid 36 and name HN ) ( resid 36 and name HD1* ) 4.33 2.73 0 !#SUP 6.96 LEU LEU assign ( resid 36 and name HN ) ( resid 36 and name HB2 ) 3.39 1.79 0 !#SUP 5.59 LEU LEU assign ( resid 36 and name HA ) ( resid 37 and name HB2 ) 5.48 3.88 0 !#SUP 4.46 LEU LYS assign ( resid 36 and name HA ) ( resid 37 and name HN ) 3.12 1.52 0 !#SUP 7.29 LEU LYS assign ( resid 36 and name HB3 ) ( resid 37 and name HN ) 5.02 3.42 0 !#SUP 5.8 LEU LYS assign ( resid 36 and name HD1* ) ( resid 37 and name HN ) 3.86 2.26 0 !#SUP 8.71 LEU LYS assign ( resid 36 and name HD1* ) ( resid 37 and name HB2 ) 5.5 3.9 0 !#SUP 6.61 LEU LYS assign ( resid 36 and name HD1* ) ( resid 37 and name HA ) 5.5 3.9 0 !#SUP 7.29 LEU LYS assign ( resid 36 and name HG ) ( resid 37 and name HN ) 5.02 3.42 0 !#SUP 5.11 LEU LYS assign ( resid 36 and name HN ) ( resid 37 and name HN ) 4.5 2.9 0 !#SUP 4.93 LEU LYS assign ( resid 36 and name HA ) ( resid 38 and name HD1* ) 5.42 3.82 0 !#SUP 3.11 LEU LEU assign ( resid 36 and name HD1* ) ( resid 38 and name HD1* ) 3.27 1.67 0 !#SUP 6.19 LEU LEU assign ( resid 36 and name HD1* ) ( resid 38 and name HA ) 5.22 3.62 0 !#SUP 2.9 LEU LEU assign ( resid 36 and name HD1* ) ( resid 38 and name HD2* ) 5.5 3.9 0 !#SUP 4.74 LEU LEU assign ( resid 36 and name HD2* ) ( resid 38 and name HN ) 5.5 3.9 0 !#SUP 3.8 LEU LEU assign ( resid 36 and name HD2* ) ( resid 38 and name HD2* ) 4.59 2.99 0 !#SUP 2.94 LEU LEU assign ( resid 36 and name HD1* ) ( resid 51 and name HG2 ) 4.65 3.05 0 !#SUP 3.65 LEU GLU assign ( resid 36 and name HD1* ) ( resid 51 and name HG3 ) 3.84 2.24 0 !#SUP 2.48 LEU GLU assign ( resid 36 and name HD1* ) ( resid 51 and name HA ) 3.97 2.37 0 !#SUP 2.76 LEU GLU assign ( resid 36 and name HG ) ( resid 51 and name HB3 ) 5.5 3.9 0 !#SUP 0.75 LEU GLU assign ( resid 36 and name HG ) ( resid 51 and name HG2 ) 4.09 2.49 0 !#SUP 2 LEU GLU assign ( resid 36 and name HD1* ) ( resid 52 and name HB2 ) 5.5 3.9 0 !#SUP 5.58 LEU SER assign ( resid 36 and name HD1* ) ( resid 52 and name HN ) 3.98 2.38 0 !#SUP 7.07 LEU SER assign ( resid 36 and name HA ) ( resid 53 and name HB3 ) 4.13 2.53 0 !#SUP 2.95 LEU SER assign ( resid 36 and name HA ) ( resid 53 and name HA ) 4.04 2.44 0 !#SUP 4.81 LEU SER assign ( resid 36 and name HD1* ) ( resid 53 and name HB3 ) 3.8 2.2 0 !#SUP 3.75 LEU SER assign ( resid 36 and name HD1* ) ( resid 53 and name HA ) 4.26 2.66 0 !#SUP 6.29 LEU SER assign ( resid 36 and name HN ) ( resid 53 and name HA ) 4.87 3.27 0 !#SUP 4.57 LEU SER assign ( resid 37 and name HA ) ( resid 37 and name HG3 ) 3.84 2.24 0 !#SUP 4.52 LYS LYS assign ( resid 37 and name HN ) ( resid 37 and name HB3 ) 3.86 2.26 0 !#SUP 4.9 LYS LYS assign ( resid 37 and name HN ) ( resid 37 and name HB2 ) 3.8 2.2 0 !#SUP 5.71 LYS LYS assign ( resid 37 and name HA ) ( resid 38 and name HN ) 2.98 1.38 0 !#SUP 8.09 LYS LEU assign ( resid 37 and name HA ) ( resid 38 and name HD1* ) 5.43 3.83 0 !#SUP 6.95 LYS LEU assign ( resid 37 and name HB3 ) ( resid 38 and name HN ) 4.82 3.22 0 !#SUP 6.58 LYS LEU assign ( resid 37 and name HG2 ) ( resid 38 and name HN ) 4.24 2.64 0 !#SUP 5.92 LYS LEU assign ( resid 37 and name HG3 ) ( resid 38 and name HN ) 4.63 3.03 0 !#SUP 5.92 LYS LEU assign ( resid 37 and name HN ) ( resid 38 and name HD1* ) 5.5 3.9 0 !#SUP 6.12 LYS LEU assign ( resid 37 and name HB2 ) ( resid 52 and name HN ) 4.79 3.19 0 !#SUP 5.38 LYS SER assign ( resid 37 and name HB2 ) ( resid 52 and name HB2 ) 4.1 2.5 0 !#SUP 3.75 LYS SER assign ( resid 37 and name HB2 ) ( resid 52 and name HB3 ) 3.79 2.19 0 !#SUP 2.96 LYS SER assign ( resid 37 and name HB3 ) ( resid 52 and name HN ) 5.27 3.67 0 !#SUP 2.6 LYS SER assign ( resid 37 and name HN ) ( resid 52 and name HN ) 4.5 2.9 0 !#SUP 7.17 LYS SER assign ( resid 37 and name HN ) ( resid 52 and name HB2 ) 4.77 3.17 0 !#SUP 5.26 LYS SER assign ( resid 37 and name HN ) ( resid 52 and name HB3 ) 4.9 3.3 0 !#SUP 3.64 LYS SER assign ( resid 37 and name HN ) ( resid 53 and name HB3 ) 5.5 3.9 0 !#SUP 4.08 LYS SER assign ( resid 37 and name HN ) ( resid 53 and name HA ) 4.27 2.67 0 !#SUP 5.48 LYS SER assign ( resid 37 and name HA ) ( resid 128 and name HD* ) 5.5 3.9 0 !#SUP 3.49 LYS PHE assign ( resid 38 and name HA ) ( resid 38 and name HD2* ) 4.75 3.15 0 !#SUP 6.24 LEU LEU assign ( resid 38 and name HA ) ( resid 38 and name HD1* ) 3.39 1.79 0 !#SUP 6.8 LEU LEU assign ( resid 38 and name HB2 ) ( resid 38 and name HD2* ) 3.45 1.85 0 !#SUP 6.18 LEU LEU assign ( resid 38 and name HB3 ) ( resid 38 and name HD2* ) 3.48 1.88 0 !#SUP 6.27 LEU LEU assign ( resid 38 and name HB3 ) ( resid 38 and name HD1* ) 3.71 2.11 0 !#SUP 6.78 LEU LEU assign ( resid 38 and name HN ) ( resid 38 and name HB3 ) 4.07 2.47 0 !#SUP 8.23 LEU LEU assign ( resid 38 and name HN ) ( resid 38 and name HD1* ) 5 3.4 0 !#SUP 8.78 LEU LEU assign ( resid 38 and name HN ) ( resid 38 and name HB2 ) 3.9 2.3 0 !#SUP 8.38 LEU LEU assign ( resid 38 and name HN ) ( resid 38 and name HG ) 4.32 2.72 0 !#SUP 7.83 LEU LEU assign ( resid 38 and name HN ) ( resid 38 and name HD2* ) 4.58 2.98 0 !#SUP 7.9 LEU LEU assign ( resid 38 and name HA ) ( resid 39 and name HN ) 3.23 1.63 0 !#SUP 7.73 LEU THR assign ( resid 38 and name HA ) ( resid 39 and name HB ) 5.42 3.82 0 !#SUP 4.98 LEU THR assign ( resid 38 and name HB2 ) ( resid 39 and name HN ) 4.17 2.57 0 !#SUP 7.03 LEU THR assign ( resid 38 and name HB3 ) ( resid 39 and name HN ) 4.82 3.22 0 !#SUP 7.65 LEU THR assign ( resid 38 and name HD1* ) ( resid 39 and name HN ) 4.19 2.59 0 !#SUP 6.99 LEU THR assign ( resid 38 and name HD2* ) ( resid 39 and name HN ) 5.17 3.57 0 !#SUP 7.4 LEU THR assign ( resid 38 and name HG ) ( resid 39 and name HN ) 5.5 3.9 0 !#SUP 6.94 LEU THR assign ( resid 38 and name HN ) ( resid 39 and name HN ) 4.63 3.03 0 !#SUP 7.56 LEU THR assign ( resid 38 and name HN ) ( resid 39 and name HA ) 5.5 3.9 0 !#SUP 4.11 LEU THR assign ( resid 38 and name HA ) ( resid 49 and name HG2* ) 5.37 3.77 0 !#SUP 2.71 LEU VAL assign ( resid 38 and name HB3 ) ( resid 49 and name HG2* ) 4.93 3.33 0 !#SUP 2.16 LEU VAL assign ( resid 38 and name HD2* ) ( resid 49 and name HG2* ) 5.37 3.77 0 !#SUP 2.88 LEU VAL assign ( resid 38 and name HG ) ( resid 49 and name HG2* ) 4.91 3.31 0 !#SUP 2.25 LEU VAL assign ( resid 38 and name HA ) ( resid 51 and name HA ) 4.54 2.94 0 !#SUP 3.13 LEU GLU assign ( resid 38 and name HB2 ) ( resid 51 and name HA ) 5.5 3.9 0 !#SUP 1.83 LEU GLU assign ( resid 38 and name HD1* ) ( resid 51 and name HN ) 5.5 3.9 0 !#SUP 2.14 LEU GLU assign ( resid 38 and name HD1* ) ( resid 51 and name HB2 ) 4.23 2.63 0 !#SUP 4.06 LEU GLU assign ( resid 38 and name HD1* ) ( resid 51 and name HA ) 3.59 1.99 0 !#SUP 6.19 LEU GLU assign ( resid 38 and name HD1* ) ( resid 51 and name HG3 ) 4.44 2.84 0 !#SUP 4.14 LEU GLU assign ( resid 38 and name HG ) ( resid 51 and name HG3 ) 5.5 3.9 0 !#SUP 0.75 LEU GLU assign ( resid 38 and name HD1* ) ( resid 52 and name HN ) 4.04 2.44 0 !#SUP 4.79 LEU SER assign ( resid 38 and name HB3 ) ( resid 128 and name HD* ) 5.5 3.9 0 !#SUP 5.4 LEU PHE assign ( resid 38 and name HD1* ) ( resid 128 and name HD* ) 5.2 3.6 0 !#SUP 4.4 LEU PHE assign ( resid 38 and name HD2* ) ( resid 128 and name HD* ) 4.26 2.66 0 !#SUP 3.99 LEU PHE assign ( resid 38 and name HG ) ( resid 128 and name HD* ) 5.45 3.85 0 !#SUP 3.86 LEU PHE assign ( resid 38 and name HN ) ( resid 128 and name HD* ) 5.4 3.8 0 !#SUP 6.37 LEU PHE assign ( resid 39 and name HA ) ( resid 39 and name HG2* ) 3.47 1.87 0 !#SUP 3.66 THR THR assign ( resid 39 and name HN ) ( resid 39 and name HB ) 4.18 2.58 0 !#SUP 6.72 THR THR assign ( resid 39 and name HN ) ( resid 39 and name HG2* ) 4.1 2.5 0 !#SUP 5.38 THR THR assign ( resid 39 and name HA ) ( resid 40 and name HB ) 4.75 3.15 0 !#SUP 4.64 THR ILE assign ( resid 39 and name HA ) ( resid 40 and name HN ) 3.18 1.58 0 !#SUP 6.06 THR ILE assign ( resid 39 and name HB ) ( resid 40 and name HN ) 5.35 3.75 0 !#SUP 5.11 THR ILE assign ( resid 39 and name HG2* ) ( resid 40 and name HN ) 3.68 2.08 0 !#SUP 5.04 THR ILE assign ( resid 39 and name HN ) ( resid 40 and name HN ) 4.94 3.34 0 !#SUP 5.34 THR ILE assign ( resid 39 and name HB ) ( resid 49 and name HA ) 4.02 2.42 0 !#SUP 3.71 THR VAL assign ( resid 39 and name HB ) ( resid 50 and name HB2 ) 3.28 1.68 0 !#SUP 4.33 THR LYS assign ( resid 39 and name HB ) ( resid 50 and name HB3 ) 3.54 1.94 0 !#SUP 5.69 THR LYS assign ( resid 39 and name HB ) ( resid 50 and name HN ) 3.7 2.1 0 !#SUP 6.17 THR LYS assign ( resid 39 and name HB ) ( resid 50 and name HG3 ) 5.43 3.83 0 !#SUP 4.24 THR LYS assign ( resid 39 and name HB ) ( resid 50 and name HA ) 5.05 3.45 0 !#SUP 3.66 THR LYS assign ( resid 39 and name HG2* ) ( resid 50 and name HN ) 5.17 3.57 0 !#SUP 2.48 THR LYS assign ( resid 39 and name HG2* ) ( resid 50 and name HB3 ) 4.59 2.99 0 !#SUP 2.45 THR LYS assign ( resid 40 and name HA ) ( resid 40 and name HG2* ) 3.46 1.86 0 !#SUP 6.07 ILE ILE assign ( resid 40 and name HA ) ( resid 40 and name HD1* ) 4.78 3.18 0 !#SUP 6.14 ILE ILE assign ( resid 40 and name HB ) ( resid 40 and name HD1* ) 3.6 2 0 !#SUP 6.44 ILE ILE assign ( resid 40 and name HG2* ) ( resid 40 and name HD1* ) 3.45 1.85 0 !#SUP 5.89 ILE ILE assign ( resid 40 and name HN ) ( resid 40 and name HG13 ) 4.55 2.95 0 !#SUP 6.6 ILE ILE assign ( resid 40 and name HN ) ( resid 40 and name HB ) 3.7 2.1 0 !#SUP 7.59 ILE ILE assign ( resid 40 and name HN ) ( resid 40 and name HG2* ) 4.56 2.96 0 !#SUP 7.09 ILE ILE assign ( resid 40 and name HN ) ( resid 40 and name HG12 ) 3.54 1.94 0 !#SUP 6.6 ILE ILE assign ( resid 40 and name HN ) ( resid 40 and name HD1* ) 4.49 2.89 0 !#SUP 6.93 ILE ILE assign ( resid 40 and name HA ) ( resid 41 and name HN ) 3.1 1.5 0 !#SUP 4.88 ILE THR assign ( resid 40 and name HB ) ( resid 41 and name HN ) 4.83 3.23 0 !#SUP 5.52 ILE THR assign ( resid 40 and name HD1* ) ( resid 41 and name HN ) 5.43 3.83 0 !#SUP 5.42 ILE THR assign ( resid 40 and name HG2* ) ( resid 41 and name HN ) 3.72 2.12 0 !#SUP 5.39 ILE THR assign ( resid 40 and name HG2* ) ( resid 47 and name HA ) 5.5 3.9 0 !#SUP 2.06 ILE PHE assign ( resid 40 and name HG2* ) ( resid 47 and name HD* ) 3.69 2.09 0 !#SUP 2.3 ILE PHE assign ( resid 40 and name HG2* ) ( resid 48 and name HN ) 4.58 2.98 0 !#SUP 3.53 ILE THR assign ( resid 40 and name HA ) ( resid 49 and name HN ) 5.5 3.9 0 !#SUP 3.87 ILE VAL assign ( resid 40 and name HA ) ( resid 49 and name HG2* ) 4.58 2.98 0 !#SUP 1.93 ILE VAL assign ( resid 40 and name HA ) ( resid 49 and name HG1* ) 3.93 2.33 0 !#SUP 3.64 ILE VAL assign ( resid 40 and name HD1* ) ( resid 49 and name HA ) 4.76 3.16 0 !#SUP 1.57 ILE VAL assign ( resid 40 and name HA ) ( resid 50 and name HN ) 4.35 2.75 0 !#SUP 4.43 ILE LYS assign ( resid 40 and name HD1* ) ( resid 113 and name HD1* ) 5.41 3.81 0 !#SUP 0.75 ILE LEU assign ( resid 40 and name HD1* ) ( resid 113 and name HD2* ) 4.34 2.74 0 !#SUP 0.75 ILE LEU assign ( resid 41 and name HA ) ( resid 41 and name HG2* ) 3.42 1.82 0 !#SUP 3.62 THR THR assign ( resid 41 and name HN ) ( resid 41 and name HB ) 3.72 2.12 0 !#SUP 4.73 THR THR assign ( resid 41 and name HN ) ( resid 41 and name HG2* ) 4.25 2.65 0 !#SUP 4.73 THR THR assign ( resid 41 and name HA ) ( resid 42 and name HB2 ) 5.5 3.9 0 !#SUP 5.17 THR GLN assign ( resid 41 and name HA ) ( resid 42 and name HB3 ) 4.84 3.24 0 !#SUP 4.42 THR GLN assign ( resid 41 and name HA ) ( resid 42 and name HN ) 3.12 1.52 0 !#SUP 5.89 THR GLN assign ( resid 41 and name HB ) ( resid 42 and name HN ) 4.1 2.5 0 !#SUP 4.71 THR GLN assign ( resid 41 and name HG2* ) ( resid 42 and name HN ) 3.75 2.15 0 !#SUP 4.71 THR GLN assign ( resid 41 and name HN ) ( resid 42 and name HN ) 4.42 2.82 0 !#SUP 5.71 THR GLN assign ( resid 41 and name HN ) ( resid 42 and name HB2 ) 4.64 3.04 0 !#SUP 4.46 THR GLN assign ( resid 41 and name HN ) ( resid 47 and name HD* ) 5.47 3.87 0 !#SUP 3.57 THR PHE assign ( resid 41 and name HB ) ( resid 48 and name HN ) 4.63 3.03 0 !#SUP 2.19 THR THR assign ( resid 41 and name HN ) ( resid 48 and name HN ) 4.01 2.41 0 !#SUP 6.98 THR THR assign ( resid 41 and name HN ) ( resid 49 and name HN ) 5.5 3.9 0 !#SUP 4.65 THR VAL assign ( resid 41 and name HN ) ( resid 49 and name HA ) 4.45 2.85 0 !#SUP 5.37 THR VAL assign ( resid 41 and name HN ) ( resid 49 and name HG1* ) 4.63 3.03 0 !#SUP 4.19 THR VAL assign ( resid 41 and name HN ) ( resid 50 and name HN ) 5.5 3.9 0 !#SUP 3.69 THR LYS assign ( resid 42 and name HA ) ( resid 42 and name HG2 ) 3.96 2.36 0 !#SUP 5.42 GLN GLN assign ( resid 42 and name HB2 ) ( resid 42 and name HE21 ) 5.5 3.9 0 !#SUP 6.31 GLN GLN assign ( resid 42 and name HB3 ) ( resid 42 and name HE21 ) 5.5 3.9 0 !#SUP 5.66 GLN GLN assign ( resid 42 and name HG2 ) ( resid 42 and name HE21 ) 4.07 2.47 0 !#SUP 5.43 GLN GLN assign ( resid 42 and name HG3 ) ( resid 42 and name HE21 ) 4.09 2.49 0 !#SUP 5.52 GLN GLN assign ( resid 42 and name HN ) ( resid 42 and name HB2 ) 3.76 2.16 0 !#SUP 7.4 GLN GLN assign ( resid 42 and name HN ) ( resid 42 and name HG3 ) 5.08 3.48 0 !#SUP 6.82 GLN GLN assign ( resid 42 and name HN ) ( resid 42 and name HB3 ) 3.96 2.36 0 !#SUP 6.62 GLN GLN assign ( resid 42 and name HA ) ( resid 43 and name HN ) 3.18 1.58 0 !#SUP 6.23 GLN GLU assign ( resid 42 and name HB2 ) ( resid 43 and name HN ) 4.57 2.97 0 !#SUP 6.99 GLN GLU assign ( resid 42 and name HB3 ) ( resid 43 and name HN ) 4.67 3.07 0 !#SUP 6.79 GLN GLU assign ( resid 42 and name HE21 ) ( resid 43 and name HN ) 5.3 3.7 0 !#SUP 7.06 GLN GLU assign ( resid 42 and name HG2 ) ( resid 43 and name HN ) 5 3.4 0 !#SUP 8.39 GLN GLU assign ( resid 42 and name HG3 ) ( resid 43 and name HN ) 3.95 2.35 0 !#SUP 8.37 GLN GLU assign ( resid 42 and name HN ) ( resid 43 and name HN ) 5.5 3.9 0 !#SUP 5.56 GLN GLU assign ( resid 42 and name HE21 ) ( resid 44 and name HN ) 5.2 3.6 0 !#SUP 5.54 GLN GLY assign ( resid 42 and name HG2 ) ( resid 44 and name HN ) 4.12 2.52 0 !#SUP 7.71 GLN GLY assign ( resid 42 and name HG2 ) ( resid 44 and name HA2 ) 5.5 3.9 0 !#SUP 4.95 GLN GLY assign ( resid 42 and name HG2 ) ( resid 44 and name HA3 ) 5.5 3.9 0 !#SUP 3.53 GLN GLY assign ( resid 42 and name HG3 ) ( resid 44 and name HN ) 4.89 3.29 0 !#SUP 6.77 GLN GLY assign ( resid 42 and name HE21 ) ( resid 45 and name HA ) 5.5 3.9 0 !#SUP 2.07 GLN ASN assign ( resid 42 and name HE22 ) ( resid 45 and name HA ) 5.5 3.9 0 !#SUP 0.75 GLN ASN assign ( resid 42 and name HG2 ) ( resid 45 and name HN ) 4.76 3.16 0 !#SUP 6.22 GLN ASN assign ( resid 42 and name HG3 ) ( resid 45 and name HN ) 5.5 3.9 0 !#SUP 5.32 GLN ASN assign ( resid 42 and name HA ) ( resid 46 and name HN ) 5.09 3.49 0 !#SUP 6.75 GLN LYS assign ( resid 42 and name HA ) ( resid 46 and name HG2 ) 5.5 3.9 0 !#SUP 2.49 GLN LYS assign ( resid 42 and name HG2 ) ( resid 46 and name HN ) 3.31 1.71 0 !#SUP 4.67 GLN LYS assign ( resid 42 and name HG3 ) ( resid 46 and name HN ) 5.5 3.9 0 !#SUP 5.96 GLN LYS assign ( resid 42 and name HA ) ( resid 47 and name HN ) 5.5 3.9 0 !#SUP 5.02 GLN PHE assign ( resid 42 and name HA ) ( resid 47 and name HB3 ) 5.5 3.9 0 !#SUP 3.65 GLN PHE assign ( resid 42 and name HA ) ( resid 47 and name HA ) 4.08 2.48 0 !#SUP 7.44 GLN PHE assign ( resid 42 and name HB2 ) ( resid 47 and name HA ) 3.93 2.33 0 !#SUP 4.06 GLN PHE assign ( resid 42 and name HB2 ) ( resid 47 and name HD* ) 5.5 3.9 0 !#SUP 2.3 GLN PHE assign ( resid 42 and name HG3 ) ( resid 47 and name HA ) 5.19 3.59 0 !#SUP 3.86 GLN PHE assign ( resid 42 and name HA ) ( resid 48 and name HN ) 4.28 2.68 0 !#SUP 4.82 GLN THR assign ( resid 42 and name HE21 ) ( resid 62 and name HE* ) 5.29 3.69 0 !#SUP 2.62 GLN PHE assign ( resid 42 and name HG2 ) ( resid 62 and name HE* ) 5.5 3.9 0 !#SUP 3.28 GLN PHE assign ( resid 42 and name HG3 ) ( resid 62 and name HE* ) 5.06 3.46 0 !#SUP 3.01 GLN PHE assign ( resid 42 and name HE21 ) ( resid 64 and name HG ) 5.5 3.9 0 !#SUP 0.75 GLN LEU assign ( resid 42 and name HE22 ) ( resid 64 and name HG ) 5.43 3.83 0 !#SUP 0.75 GLN LEU assign ( resid 43 and name HA ) ( resid 43 and name HG3 ) 3.55 1.95 0 !#SUP 4.99 GLU GLU assign ( resid 43 and name HB3 ) ( resid 43 and name HG3 ) 2.9 1.3 0 !#SUP 4.11 GLU GLU assign ( resid 43 and name HN ) ( resid 43 and name HB2 ) 3.38 1.78 0 !#SUP 5.88 GLU GLU assign ( resid 43 and name HA ) ( resid 44 and name HN ) 3.1 1.5 0 !#SUP 8.12 GLU GLY assign ( resid 43 and name HA ) ( resid 44 and name HA2 ) 4.71 3.11 0 !#SUP 5.33 GLU GLY assign ( resid 43 and name HA ) ( resid 44 and name HA3 ) 4.56 2.96 0 !#SUP 4.32 GLU GLY assign ( resid 43 and name HB2 ) ( resid 44 and name HN ) 4.27 2.67 0 !#SUP 7.32 GLU GLY assign ( resid 43 and name HB3 ) ( resid 44 and name HN ) 5.04 3.44 0 !#SUP 7.4 GLU GLY assign ( resid 43 and name HG2 ) ( resid 44 and name HN ) 5.5 3.9 0 !#SUP 6.93 GLU GLY assign ( resid 43 and name HN ) ( resid 44 and name HN ) 4.54 2.94 0 !#SUP 6.89 GLU GLY assign ( resid 43 and name HA ) ( resid 46 and name HN ) 5.5 3.9 0 !#SUP 3.82 GLU LYS assign ( resid 43 and name HN ) ( resid 46 and name HN ) 4.32 2.72 0 !#SUP 7.68 GLU LYS assign ( resid 43 and name HN ) ( resid 47 and name HA ) 4.41 2.81 0 !#SUP 3.48 GLU PHE assign ( resid 44 and name HA2 ) ( resid 45 and name HN ) 3.11 1.51 0 !#SUP 5.84 GLY ASN assign ( resid 44 and name HA2 ) ( resid 45 and name HA ) 4.65 3.05 0 !#SUP 5.76 GLY ASN assign ( resid 44 and name HA2 ) ( resid 45 and name HB2 ) 5.5 3.9 0 !#SUP 5.14 GLY ASN assign ( resid 44 and name HA3 ) ( resid 45 and name HN ) 3.46 1.86 0 !#SUP 5.29 GLY ASN assign ( resid 44 and name HA3 ) ( resid 45 and name HA ) 4.59 2.99 0 !#SUP 5.39 GLY ASN assign ( resid 44 and name HN ) ( resid 45 and name HN ) 4.37 2.77 0 !#SUP 5.79 GLY ASN assign ( resid 44 and name HA2 ) ( resid 46 and name HN ) 4.05 2.45 0 !#SUP 6.08 GLY LYS assign ( resid 44 and name HA3 ) ( resid 46 and name HN ) 4.7 3.1 0 !#SUP 5.3 GLY LYS assign ( resid 44 and name HN ) ( resid 46 and name HN ) 5.12 3.52 0 !#SUP 5.03 GLY LYS assign ( resid 45 and name HA ) ( resid 45 and name HD22 ) 5.5 3.9 0 !#SUP 4.24 ASN ASN assign ( resid 45 and name HA ) ( resid 45 and name HD21 ) 5.5 3.9 0 !#SUP 4.24 ASN ASN assign ( resid 45 and name HA ) ( resid 45 and name HB3 ) 2.92 1.32 0 !#SUP 4.93 ASN ASN assign ( resid 45 and name HB2 ) ( resid 45 and name HD22 ) 4.01 2.41 0 !#SUP 4.53 ASN ASN assign ( resid 45 and name HB3 ) ( resid 45 and name HD22 ) 3.78 2.18 0 !#SUP 3.31 ASN ASN assign ( resid 45 and name HN ) ( resid 45 and name HB2 ) 3.73 2.13 0 !#SUP 6.51 ASN ASN assign ( resid 45 and name HN ) ( resid 45 and name HB3 ) 3.66 2.06 0 !#SUP 4.93 ASN ASN assign ( resid 45 and name HB2 ) ( resid 46 and name HN ) 4.57 2.97 0 !#SUP 7.45 ASN LYS assign ( resid 45 and name HB2 ) ( resid 46 and name HG3 ) 4.38 2.78 0 !#SUP 4.84 ASN LYS assign ( resid 45 and name HN ) ( resid 46 and name HB2 ) 4.77 3.17 0 !#SUP 4.47 ASN LYS assign ( resid 45 and name HN ) ( resid 46 and name HN ) 3.1 1.5 0 !#SUP 8.28 ASN LYS assign ( resid 45 and name HB2 ) ( resid 63 and name HG* ) 4.77 3.17 0 !#SUP 7.68 ASN GLU assign ( resid 45 and name HD21 ) ( resid 63 and name HG* ) 5.35 3.75 0 !#SUP 3.1 ASN GLU assign ( resid 45 and name HD22 ) ( resid 63 and name HG* ) 5.16 3.56 0 !#SUP 5.17 ASN GLU assign ( resid 45 and name HA ) ( resid 64 and name HG ) 3.47 1.87 0 !#SUP 2.25 ASN LEU assign ( resid 45 and name HB2 ) ( resid 64 and name HN ) 4.16 2.56 0 !#SUP 5.09 ASN LEU assign ( resid 45 and name HB2 ) ( resid 64 and name HB3 ) 5.17 3.57 0 !#SUP 4.15 ASN LEU assign ( resid 45 and name HB2 ) ( resid 64 and name HB2 ) 4.05 2.45 0 !#SUP 5.97 ASN LEU assign ( resid 45 and name HB2 ) ( resid 64 and name HG ) 4.04 2.44 0 !#SUP 6.31 ASN LEU assign ( resid 45 and name HB3 ) ( resid 64 and name HN ) 4.45 2.85 0 !#SUP 4.19 ASN LEU assign ( resid 45 and name HB3 ) ( resid 64 and name HB2 ) 3.95 2.35 0 !#SUP 5.47 ASN LEU assign ( resid 45 and name HB3 ) ( resid 64 and name HB3 ) 5.5 3.9 0 !#SUP 3.87 ASN LEU assign ( resid 45 and name HB3 ) ( resid 64 and name HG ) 4.08 2.48 0 !#SUP 6 ASN LEU assign ( resid 45 and name HD22 ) ( resid 64 and name HG ) 5.5 3.9 0 !#SUP 4.54 ASN LEU assign ( resid 46 and name HA ) ( resid 46 and name HG3 ) 3.91 2.31 0 !#SUP 6.22 LYS LYS assign ( resid 46 and name HN ) ( resid 46 and name HG2 ) 4.59 2.99 0 !#SUP 6.96 LYS LYS assign ( resid 46 and name HN ) ( resid 46 and name HG3 ) 4.63 3.03 0 !#SUP 7.3 LYS LYS assign ( resid 46 and name HN ) ( resid 46 and name HB2 ) 3.55 1.95 0 !#SUP 7.18 LYS LYS assign ( resid 46 and name HA ) ( resid 47 and name HB2 ) 4.86 3.26 0 !#SUP 5.33 LYS PHE assign ( resid 46 and name HA ) ( resid 47 and name HN ) 3.12 1.52 0 !#SUP 7.5 LYS PHE assign ( resid 46 and name HB2 ) ( resid 47 and name HN ) 4.49 2.89 0 !#SUP 6.51 LYS PHE assign ( resid 46 and name HB3 ) ( resid 47 and name HN ) 4.52 2.92 0 !#SUP 6.51 LYS PHE assign ( resid 46 and name HG2 ) ( resid 47 and name HN ) 4.38 2.78 0 !#SUP 7.22 LYS PHE assign ( resid 46 and name HG2 ) ( resid 47 and name HA ) 4.81 3.21 0 !#SUP 4.24 LYS PHE assign ( resid 46 and name HG3 ) ( resid 47 and name HN ) 4.95 3.35 0 !#SUP 6.51 LYS PHE assign ( resid 46 and name HN ) ( resid 47 and name HN ) 4.54 2.94 0 !#SUP 7.7 LYS PHE assign ( resid 46 and name HN ) ( resid 47 and name HD* ) 5.5 3.9 0 !#SUP 4.45 LYS PHE assign ( resid 46 and name HN ) ( resid 47 and name HB2 ) 5.02 3.42 0 !#SUP 5.38 LYS PHE assign ( resid 46 and name HB3 ) ( resid 61 and name HG2* ) 4.51 2.91 0 !#SUP 1.73 LYS VAL assign ( resid 46 and name HG2 ) ( resid 61 and name HG2* ) 4.81 3.21 0 !#SUP 3.55 LYS VAL assign ( resid 46 and name HA ) ( resid 63 and name HG* ) 4.32 2.72 0 !#SUP 8.03 LYS GLU assign ( resid 46 and name HA ) ( resid 63 and name HA ) 3.33 1.73 0 !#SUP 5.79 LYS GLU assign ( resid 46 and name HB2 ) ( resid 63 and name HG* ) 3.38 1.78 0 !#SUP 6.65 LYS GLU assign ( resid 46 and name HB2 ) ( resid 63 and name HA ) 3.67 2.07 0 !#SUP 4.34 LYS GLU assign ( resid 46 and name HB3 ) ( resid 63 and name HG* ) 4.74 3.14 0 !#SUP 6.65 LYS GLU assign ( resid 46 and name HB3 ) ( resid 63 and name HA ) 4.99 3.39 0 !#SUP 4.35 LYS GLU assign ( resid 46 and name HG2 ) ( resid 63 and name HG* ) 4.66 3.06 0 !#SUP 6.91 LYS GLU assign ( resid 46 and name HG3 ) ( resid 63 and name HG* ) 4.19 2.59 0 !#SUP 5.17 LYS GLU assign ( resid 46 and name HN ) ( resid 63 and name HG* ) 5.34 3.74 0 !#SUP 7.23 LYS GLU assign ( resid 46 and name HN ) ( resid 63 and name HA ) 5.41 3.81 0 !#SUP 4.34 LYS GLU assign ( resid 46 and name HA ) ( resid 64 and name HN ) 4.14 2.54 0 !#SUP 2.54 LYS LEU assign ( resid 47 and name HN ) ( resid 47 and name HD* ) 4.23 2.63 0 !#SUP 6.71 PHE PHE assign ( resid 47 and name HN ) ( resid 47 and name HB3 ) 3.74 2.14 0 !#SUP 6.11 PHE PHE assign ( resid 47 and name HN ) ( resid 47 and name HB2 ) 4.07 2.47 0 !#SUP 8 PHE PHE assign ( resid 47 and name HA ) ( resid 48 and name HN ) 3.19 1.59 0 !#SUP 3.88 PHE THR assign ( resid 47 and name HB2 ) ( resid 48 and name HN ) 4.13 2.53 0 !#SUP 5.59 PHE THR assign ( resid 47 and name HD* ) ( resid 48 and name HN ) 4.77 3.17 0 !#SUP 4.93 PHE THR assign ( resid 47 and name HD* ) ( resid 48 and name HA ) 3.81 2.21 0 !#SUP 3.48 PHE THR ! 0.5 assign ( resid 47 and name HN ) ( resid 48 and name HN ) 4.75 3.15 0 !#SUP 5.37 PHE THR assign ( resid 47 and name HB2 ) ( resid 49 and name HG1* ) 4.92 3.32 0 !#SUP 2.68 PHE VAL assign ( resid 47 and name HB3 ) ( resid 49 and name HG1* ) 5.5 3.9 0 !#SUP 1.5 PHE VAL assign ( resid 47 and name HD* ) ( resid 49 and name HG1* ) 4.65 3.05 0 !#SUP 2.54 PHE VAL assign ( resid 47 and name HN ) ( resid 61 and name HG2* ) 5.19 3.59 0 !#SUP 5.17 PHE VAL assign ( resid 47 and name HB2 ) ( resid 62 and name HE* ) 5.44 3.84 0 !#SUP 3.73 PHE PHE assign ( resid 47 and name HB3 ) ( resid 62 and name HE* ) 5.5 3.9 0 !#SUP 3.74 PHE PHE assign ( resid 47 and name HN ) ( resid 62 and name HN ) 4.25 2.65 0 !#SUP 3.62 PHE PHE assign ( resid 47 and name HN ) ( resid 62 and name HE* ) 5.5 3.9 0 !#SUP 4.2 PHE PHE assign ( resid 48 and name HN ) ( resid 48 and name HB ) 3.62 2.02 0 !#SUP 4.28 THR THR assign ( resid 48 and name HN ) ( resid 48 and name HG2* ) 4.17 2.57 0 !#SUP 4.7 THR THR assign ( resid 48 and name HB ) ( resid 49 and name HN ) 4.99 3.39 0 !#SUP 4.62 THR VAL assign ( resid 48 and name HG2* ) ( resid 49 and name HN ) 3.92 2.32 0 !#SUP 5.87 THR VAL assign ( resid 48 and name HN ) ( resid 49 and name HN ) 4.73 3.13 0 !#SUP 4.88 THR VAL assign ( resid 48 and name HG2* ) ( resid 59 and name HG3 ) 4.58 2.98 0 !#SUP 2.58 THR GLU assign ( resid 48 and name HG2* ) ( resid 59 and name HA ) 4.18 2.58 0 !#SUP 3.86 THR GLU assign ( resid 48 and name HG2* ) ( resid 59 and name HG2 ) 3.59 1.99 0 !#SUP 2.55 THR GLU assign ( resid 48 and name HA ) ( resid 60 and name HG1* ) 5.03 3.43 0 !#SUP 2.27 THR VAL assign ( resid 48 and name HG2* ) ( resid 60 and name HN ) 4.75 3.15 0 !#SUP 3.9 THR VAL assign ( resid 48 and name HG2* ) ( resid 62 and name HN ) 5.5 3.9 0 !#SUP 1.49 THR PHE assign ( resid 49 and name HA ) ( resid 49 and name HG2* ) 3.32 1.72 0 !#SUP 3.92 VAL VAL assign ( resid 49 and name HA ) ( resid 49 and name HG1* ) 3.33 1.73 0 !#SUP 4.15 VAL VAL assign ( resid 49 and name HN ) ( resid 49 and name HB ) 3.72 2.12 0 !#SUP 4.85 VAL VAL assign ( resid 49 and name HN ) ( resid 49 and name HG2* ) 4.42 2.82 0 !#SUP 5.31 VAL VAL assign ( resid 49 and name HN ) ( resid 49 and name HG1* ) 3.77 2.17 0 !#SUP 5.37 VAL VAL assign ( resid 49 and name HA ) ( resid 50 and name HN ) 3.28 1.68 0 !#SUP 6.09 VAL LYS assign ( resid 49 and name HN ) ( resid 50 and name HN ) 4.94 3.34 0 !#SUP 5.9 VAL LYS assign ( resid 49 and name HG2* ) ( resid 59 and name HA ) 5.5 3.9 0 !#SUP 3.09 VAL GLU assign ( resid 49 and name HB ) ( resid 60 and name HN ) 5.29 3.69 0 !#SUP 2.53 VAL VAL assign ( resid 49 and name HG2* ) ( resid 60 and name HB ) 5.18 3.58 0 !#SUP 2.26 VAL VAL assign ( resid 49 and name HN ) ( resid 60 and name HB ) 4.77 3.17 0 !#SUP 4.03 VAL VAL assign ( resid 49 and name HN ) ( resid 60 and name HG1* ) 4.82 3.22 0 !#SUP 5.52 VAL VAL assign ( resid 49 and name HN ) ( resid 61 and name HN ) 5.5 3.9 0 !#SUP 3 VAL VAL assign ( resid 49 and name HN ) ( resid 61 and name HA ) 4.04 2.44 0 !#SUP 4.26 VAL VAL assign ( resid 49 and name HN ) ( resid 62 and name HN ) 5.44 3.84 0 !#SUP 2.88 VAL PHE assign ( resid 50 and name HN ) ( resid 50 and name HG2 ) 4.8 3.2 0 !#SUP 4.89 LYS LYS assign ( resid 50 and name HN ) ( resid 50 and name HB2 ) 3.63 2.03 0 !#SUP 5.05 LYS LYS assign ( resid 50 and name HN ) ( resid 50 and name HB3 ) 3.6 2 0 !#SUP 5.29 LYS LYS assign ( resid 50 and name HN ) ( resid 50 and name HG3 ) 4.62 3.02 0 !#SUP 4.97 LYS LYS assign ( resid 50 and name HA ) ( resid 51 and name HN ) 3.5 1.9 0 !#SUP 3.16 LYS GLU assign ( resid 50 and name HB3 ) ( resid 51 and name HN ) 5.5 3.9 0 !#SUP 2.58 LYS GLU assign ( resid 50 and name HA ) ( resid 59 and name HG3 ) 5.4 3.8 0 !#SUP 2.25 LYS GLU assign ( resid 50 and name HA ) ( resid 59 and name HB* ) 4.68 3.08 0 !#SUP 2.24 LYS GLU assign ( resid 50 and name HA ) ( resid 59 and name HA ) 3.38 1.78 0 !#SUP 6.4 LYS GLU assign ( resid 50 and name HG2 ) ( resid 59 and name HA ) 5.5 3.9 0 !#SUP 2.05 LYS GLU assign ( resid 50 and name HG3 ) ( resid 59 and name HG2 ) 5.42 3.82 0 !#SUP 0.02 LYS GLU assign ( resid 50 and name HN ) ( resid 59 and name HA ) 4.99 3.39 0 !#SUP 2.48 LYS GLU assign ( resid 50 and name HA ) ( resid 60 and name HN ) 4.89 3.29 0 !#SUP 4.36 LYS VAL assign ( resid 50 and name HB2 ) ( resid 60 and name HN ) 5.45 3.85 0 !#SUP 1.08 LYS VAL assign ( resid 51 and name HA ) ( resid 51 and name HG2 ) 4.15 2.55 0 !#SUP 4.36 GLU GLU assign ( resid 51 and name HA ) ( resid 52 and name HN ) 3.25 1.65 0 !#SUP 5.35 GLU SER assign ( resid 51 and name HA ) ( resid 52 and name HB3 ) 4.97 3.37 0 !#SUP 4.95 GLU SER assign ( resid 51 and name HA ) ( resid 52 and name HA ) 5.5 3.9 0 !#SUP 4.82 GLU SER assign ( resid 51 and name HG3 ) ( resid 52 and name HN ) 4.94 3.34 0 !#SUP 2.89 GLU SER assign ( resid 51 and name HB2 ) ( resid 57 and name HA ) 5.49 3.89 0 !#SUP 1.48 GLU ASN assign ( resid 51 and name HN ) ( resid 59 and name HA ) 5.19 3.59 0 !#SUP 1.73 GLU GLU assign ( resid 52 and name HN ) ( resid 52 and name HB2 ) 3.57 1.97 0 !#SUP 3.83 SER SER assign ( resid 52 and name HN ) ( resid 52 and name HB3 ) 3.45 1.85 0 !#SUP 3.63 SER SER assign ( resid 52 and name HA ) ( resid 53 and name HN ) 3.07 1.47 0 !#SUP 2.85 SER SER assign ( resid 52 and name HB2 ) ( resid 53 and name HA ) 4.9 3.3 0 !#SUP 3.08 SER SER assign ( resid 52 and name HB2 ) ( resid 53 and name HN ) 4.08 2.48 0 !#SUP 3.08 SER SER assign ( resid 52 and name HB3 ) ( resid 53 and name HN ) 4.38 2.78 0 !#SUP 2.63 SER SER assign ( resid 52 and name HA ) ( resid 56 and name HN ) 5.49 3.89 0 !#SUP 2.73 SER ARG assign ( resid 52 and name HA ) ( resid 57 and name HA ) 3.4 1.8 0 !#SUP 5.25 SER ASN assign ( resid 52 and name HA ) ( resid 57 and name HB* ) 4.39 2.79 0 !#SUP 5.16 SER ASN assign ( resid 52 and name HB2 ) ( resid 57 and name HB* ) 5.07 3.47 0 !#SUP 3.87 SER ASN assign ( resid 52 and name HB2 ) ( resid 57 and name HA ) 4.77 3.17 0 !#SUP 4.15 SER ASN assign ( resid 52 and name HB3 ) ( resid 57 and name HA ) 4.75 3.15 0 !#SUP 4.15 SER ASN assign ( resid 52 and name HB3 ) ( resid 57 and name HB* ) 5.04 3.44 0 !#SUP 3.85 SER ASN assign ( resid 53 and name HA ) ( resid 54 and name HN ) 3.27 1.67 0 !#SUP 5.27 SER ALA assign ( resid 53 and name HA ) ( resid 54 and name HB* ) 4.51 2.91 0 !#SUP 4.56 SER ALA assign ( resid 53 and name HA ) ( resid 54 and name HA ) 4.84 3.24 0 !#SUP 4.03 SER ALA assign ( resid 53 and name HB2 ) ( resid 54 and name HN ) 3.73 2.13 0 !#SUP 4.44 SER ALA assign ( resid 53 and name HB2 ) ( resid 54 and name HB* ) 4.49 2.89 0 !#SUP 3.86 SER ALA assign ( resid 53 and name HB3 ) ( resid 54 and name HN ) 4.19 2.59 0 !#SUP 3.09 SER ALA assign ( resid 53 and name HA ) ( resid 55 and name HN ) 4.89 3.29 0 !#SUP 5.98 SER PHE assign ( resid 53 and name HB2 ) ( resid 55 and name HN ) 4.69 3.09 0 !#SUP 4.26 SER PHE assign ( resid 53 and name HN ) ( resid 55 and name HN ) 4.74 3.14 0 !#SUP 4.17 SER PHE assign ( resid 53 and name HA ) ( resid 56 and name HN ) 4.96 3.36 0 !#SUP 5.21 SER ARG assign ( resid 53 and name HB3 ) ( resid 56 and name HN ) 5.5 3.9 0 !#SUP 2.82 SER ARG assign ( resid 53 and name HN ) ( resid 56 and name HN ) 3.88 2.28 0 !#SUP 5.37 SER ARG assign ( resid 53 and name HN ) ( resid 57 and name HA ) 4.16 2.56 0 !#SUP 4.38 SER ASN assign ( resid 53 and name HN ) ( resid 57 and name HB* ) 5.21 3.61 0 !#SUP 4.36 SER ASN assign ( resid 54 and name HN ) ( resid 54 and name HB* ) 3.13 1.53 0 !#SUP 5.14 ALA ALA assign ( resid 54 and name HA ) ( resid 55 and name HD* ) 5.5 3.9 0 !#SUP 3.8 ALA PHE assign ( resid 54 and name HB* ) ( resid 55 and name HA ) 5.5 3.9 0 !#SUP 4.08 ALA PHE assign ( resid 54 and name HB* ) ( resid 55 and name HN ) 4.04 2.44 0 !#SUP 7.41 ALA PHE assign ( resid 54 and name HN ) ( resid 55 and name HD* ) 5.43 3.83 0 !#SUP 3.09 ALA PHE assign ( resid 54 and name HN ) ( resid 55 and name HN ) 3.93 2.33 0 !#SUP 5.96 ALA PHE assign ( resid 54 and name HA ) ( resid 56 and name HN ) 5.5 3.9 0 !#SUP 5.17 ALA ARG assign ( resid 54 and name HB* ) ( resid 56 and name HN ) 5.43 3.83 0 !#SUP 5.32 ALA ARG assign ( resid 55 and name HA ) ( resid 55 and name HD* ) 3.63 2.03 0 !#SUP 4.33 PHE PHE assign ( resid 55 and name HN ) ( resid 55 and name HE* ) 4.07 2.47 0 !#SUP 3.33 PHE PHE assign ( resid 55 and name HN ) ( resid 55 and name HB2 ) 4.16 2.56 0 !#SUP 5.94 PHE PHE assign ( resid 55 and name HN ) ( resid 55 and name HB3 ) 3.81 2.21 0 !#SUP 6.07 PHE PHE assign ( resid 55 and name HB2 ) ( resid 56 and name HN ) 4.27 2.67 0 !#SUP 7.17 PHE ARG assign ( resid 55 and name HB2 ) ( resid 56 and name HG2 ) 5.28 3.68 0 !#SUP 6.42 PHE ARG assign ( resid 55 and name HB3 ) ( resid 56 and name HG2 ) 5.5 3.9 0 !#SUP 6.56 PHE ARG assign ( resid 55 and name HB3 ) ( resid 56 and name HN ) 4.46 2.86 0 !#SUP 7.32 PHE ARG assign ( resid 55 and name HD* ) ( resid 56 and name HG2 ) 4.39 2.79 0 !#SUP 5.32 PHE ARG assign ( resid 55 and name HN ) ( resid 56 and name HN ) 3.33 1.73 0 !#SUP 8.36 PHE ARG assign ( resid 55 and name HN ) ( resid 56 and name HG2 ) 5.2 3.6 0 !#SUP 6.19 PHE ARG assign ( resid 55 and name HE* ) ( resid 73 and name HB* ) 4.25 2.65 0 !#SUP 2.04 PHE ALA assign ( resid 55 and name HZ ) ( resid 73 and name HB* ) 4.5 2.9 0 !#SUP 1.83 PHE ALA assign ( resid 56 and name HB2 ) ( resid 56 and name HD* ) 4.18 2.58 0 !#SUP 5.9 ARG ARG assign ( resid 56 and name HN ) ( resid 56 and name HD* ) 5.5 3.9 0 !#SUP 7.04 ARG ARG assign ( resid 56 and name HN ) ( resid 56 and name HG2 ) 4.18 2.58 0 !#SUP 10 ARG ARG assign ( resid 56 and name HN ) ( resid 56 and name HG3 ) 4.55 2.95 0 !#SUP 7.76 ARG ARG assign ( resid 56 and name HA ) ( resid 57 and name HB* ) 5.36 3.76 0 !#SUP 5.61 ARG ASN assign ( resid 56 and name HA ) ( resid 57 and name HN ) 3.28 1.68 0 !#SUP 5 ARG ASN assign ( resid 56 and name HA ) ( resid 57 and name HA ) 4.71 3.11 0 !#SUP 4.21 ARG ASN assign ( resid 56 and name HB2 ) ( resid 57 and name HB* ) 5.5 3.9 0 !#SUP 6.61 ARG ASN assign ( resid 56 and name HB2 ) ( resid 57 and name HN ) 4.54 2.94 0 !#SUP 5.82 ARG ASN assign ( resid 56 and name HB3 ) ( resid 57 and name HN ) 4.61 3.01 0 !#SUP 4.57 ARG ASN assign ( resid 56 and name HG2 ) ( resid 57 and name HA ) 5.5 3.9 0 !#SUP 4.24 ARG ASN assign ( resid 56 and name HG3 ) ( resid 57 and name HB* ) 5.5 3.9 0 !#SUP 6.6 ARG ASN assign ( resid 56 and name HN ) ( resid 57 and name HN ) 4.94 3.34 0 !#SUP 4.79 ARG ASN assign ( resid 56 and name HD* ) ( resid 58 and name HB ) 5.5 3.9 0 !#SUP 1.5 ARG ILE assign ( resid 56 and name HD* ) ( resid 58 and name HG2* ) 4.24 2.64 0 !#SUP 4.4 ARG ILE assign ( resid 56 and name HD* ) ( resid 58 and name HD1* ) 4.4 2.8 0 !#SUP 1.84 ARG ILE assign ( resid 56 and name HE ) ( resid 58 and name HG2* ) 5.5 3.9 0 !#SUP 2.39 ARG ILE assign ( resid 56 and name HB3 ) ( resid 73 and name HB* ) 5.18 3.58 0 !#SUP 1.58 ARG ALA assign ( resid 56 and name HD* ) ( resid 73 and name HB* ) 5.06 3.46 0 !#SUP 3.72 ARG ALA assign ( resid 56 and name HD* ) ( resid 73 and name HA ) 4.34 2.74 0 !#SUP 1.22 ARG ALA assign ( resid 57 and name HN ) ( resid 57 and name HB* ) 3.36 1.76 0 !#SUP 7.17 ASN ASN assign ( resid 57 and name HA ) ( resid 58 and name HN ) 3.1 1.5 0 !#SUP 4.74 ASN ILE assign ( resid 57 and name HA ) ( resid 58 and name HG2* ) 4.95 3.35 0 !#SUP 5.41 ASN ILE assign ( resid 57 and name HA ) ( resid 58 and name HA ) 5.13 3.53 0 !#SUP 3.53 ASN ILE assign ( resid 57 and name HB* ) ( resid 58 and name HN ) 3.98 2.38 0 !#SUP 5.3 ASN ILE assign ( resid 57 and name HB* ) ( resid 58 and name HG2* ) 4.7 3.1 0 !#SUP 6.32 ASN ILE assign ( resid 57 and name HN ) ( resid 58 and name HN ) 5.5 3.9 0 !#SUP 4.26 ASN ILE assign ( resid 57 and name HN ) ( resid 58 and name HG2* ) 4.54 2.94 0 !#SUP 4.81 ASN ILE assign ( resid 58 and name HA ) ( resid 58 and name HG2* ) 3.64 2.04 0 !#SUP 5.4 ILE ILE assign ( resid 58 and name HA ) ( resid 58 and name HD1* ) 5.31 3.71 0 !#SUP 4.21 ILE ILE assign ( resid 58 and name HB ) ( resid 58 and name HD1* ) 3.59 1.99 0 !#SUP 4.01 ILE ILE assign ( resid 58 and name HN ) ( resid 58 and name HG2* ) 3.87 2.27 0 !#SUP 5.86 ILE ILE assign ( resid 58 and name HN ) ( resid 58 and name HD1* ) 5.33 3.73 0 !#SUP 4.52 ILE ILE assign ( resid 58 and name HA ) ( resid 59 and name HN ) 3.47 1.87 0 !#SUP 4.62 ILE GLU assign ( resid 58 and name HB ) ( resid 59 and name HN ) 3.48 1.88 0 !#SUP 4.95 ILE GLU assign ( resid 58 and name HD1* ) ( resid 59 and name HN ) 4.49 2.89 0 !#SUP 5.19 ILE GLU assign ( resid 58 and name HD1* ) ( resid 59 and name HA ) 5.5 3.9 0 !#SUP 5.66 ILE GLU assign ( resid 58 and name HG2* ) ( resid 59 and name HN ) 4.25 2.65 0 !#SUP 4.63 ILE GLU assign ( resid 58 and name HG2* ) ( resid 59 and name HA ) 5.5 3.9 0 !#SUP 4.81 ILE GLU assign ( resid 58 and name HB ) ( resid 60 and name HG2* ) 5.5 3.9 0 !#SUP 2.7 ILE VAL assign ( resid 58 and name HD1* ) ( resid 60 and name HB ) 5.09 3.49 0 !#SUP 2.06 ILE VAL assign ( resid 58 and name HD1* ) ( resid 60 and name HN ) 5.5 3.9 0 !#SUP 3.75 ILE VAL assign ( resid 58 and name HD1* ) ( resid 60 and name HG2* ) 3.87 2.27 0 !#SUP 3.99 ILE VAL assign ( resid 58 and name HD1* ) ( resid 70 and name HD* ) 5.36 3.76 0 !#SUP 0.97 ILE TYR assign ( resid 58 and name HD1* ) ( resid 71 and name HN ) 5.5 3.9 0 !#SUP 1.5 ILE ASN assign ( resid 58 and name HD1* ) ( resid 71 and name HB3 ) 5.5 3.9 0 !#SUP 1.01 ILE ASN assign ( resid 59 and name HA ) ( resid 59 and name HG2 ) 3.8 2.2 0 !#SUP 5.29 GLU GLU assign ( resid 59 and name HN ) ( resid 59 and name HG2 ) 5.03 3.43 0 !#SUP 4.04 GLU GLU assign ( resid 59 and name HN ) ( resid 59 and name HB* ) 3.83 2.23 0 !#SUP 3.66 GLU GLU assign ( resid 59 and name HA ) ( resid 60 and name HG2* ) 5.47 3.87 0 !#SUP 6.13 GLU VAL assign ( resid 59 and name HA ) ( resid 60 and name HA ) 5.2 3.6 0 !#SUP 5.89 GLU VAL assign ( resid 59 and name HA ) ( resid 60 and name HN ) 3.45 1.85 0 !#SUP 6.83 GLU VAL assign ( resid 59 and name HB* ) ( resid 60 and name HN ) 4.67 3.07 0 !#SUP 4.52 GLU VAL assign ( resid 59 and name HG2 ) ( resid 60 and name HN ) 4.79 3.19 0 !#SUP 4.69 GLU VAL assign ( resid 59 and name HG3 ) ( resid 60 and name HN ) 4.91 3.31 0 !#SUP 5.06 GLU VAL assign ( resid 59 and name HG3 ) ( resid 60 and name HA ) 5.5 3.9 0 !#SUP 3.59 GLU VAL assign ( resid 60 and name HA ) ( resid 60 and name HG2* ) 4.04 2.44 0 !#SUP 5.41 VAL VAL assign ( resid 60 and name HA ) ( resid 60 and name HG1* ) 3.71 2.11 0 !#SUP 5.89 VAL VAL assign ( resid 60 and name HN ) ( resid 60 and name HB ) 4.17 2.57 0 !#SUP 4.98 VAL VAL assign ( resid 60 and name HN ) ( resid 60 and name HG1* ) 5 3.4 0 !#SUP 5.46 VAL VAL assign ( resid 60 and name HA ) ( resid 61 and name HN ) 3.19 1.59 0 !#SUP 6.88 VAL VAL assign ( resid 60 and name HA ) ( resid 61 and name HG2* ) 5.5 3.9 0 !#SUP 4.43 VAL VAL assign ( resid 60 and name HA ) ( resid 61 and name HG1* ) 5.5 3.9 0 !#SUP 5.72 VAL VAL assign ( resid 60 and name HB ) ( resid 61 and name HN ) 4.75 3.15 0 !#SUP 5.78 VAL VAL assign ( resid 60 and name HG1* ) ( resid 61 and name HA ) 5.5 3.9 0 !#SUP 5.59 VAL VAL assign ( resid 60 and name HG1* ) ( resid 61 and name HN ) 3.62 2.02 0 !#SUP 8.19 VAL VAL assign ( resid 60 and name HG1* ) ( resid 61 and name HG1* ) 4.61 3.01 0 !#SUP 6.05 VAL VAL assign ( resid 60 and name HG2* ) ( resid 61 and name HN ) 5.5 3.9 0 !#SUP 5.39 VAL VAL assign ( resid 60 and name HN ) ( resid 61 and name HN ) 5.35 3.75 0 !#SUP 5.23 VAL VAL assign ( resid 60 and name HG1* ) ( resid 62 and name HN ) 5.5 3.9 0 !#SUP 4.89 VAL PHE assign ( resid 60 and name HG1* ) ( resid 62 and name HB2 ) 4.54 2.94 0 !#SUP 2.72 VAL PHE assign ( resid 60 and name HG1* ) ( resid 70 and name HD* ) 3.64 2.04 0 !#SUP 1.14 VAL TYR assign ( resid 60 and name HG2* ) ( resid 70 and name HB2 ) 5.5 3.9 0 !#SUP 0.75 VAL TYR assign ( resid 60 and name HG2* ) ( resid 70 and name HE* ) 3.15 1.55 0 !#SUP 1.15 VAL TYR assign ( resid 61 and name HA ) ( resid 61 and name HG1* ) 3.26 1.66 0 !#SUP 5.5 VAL VAL assign ( resid 61 and name HA ) ( resid 61 and name HG2* ) 3.61 2.01 0 !#SUP 5.7 VAL VAL assign ( resid 61 and name HN ) ( resid 61 and name HB ) 3.49 1.89 0 !#SUP 6.06 VAL VAL assign ( resid 61 and name HN ) ( resid 61 and name HG1* ) 3.52 1.92 0 !#SUP 7.26 VAL VAL assign ( resid 61 and name HN ) ( resid 61 and name HG2* ) 4.17 2.57 0 !#SUP 7.41 VAL VAL assign ( resid 61 and name HA ) ( resid 62 and name HB3 ) 5.5 3.9 0 !#SUP 4.18 VAL PHE assign ( resid 61 and name HA ) ( resid 62 and name HN ) 3.08 1.48 0 !#SUP 6.7 VAL PHE assign ( resid 61 and name HB ) ( resid 62 and name HN ) 4.58 2.98 0 !#SUP 5.35 VAL PHE assign ( resid 61 and name HG1* ) ( resid 62 and name HN ) 4.27 2.67 0 !#SUP 5.68 VAL PHE assign ( resid 61 and name HG2* ) ( resid 62 and name HB2 ) 5.42 3.82 0 !#SUP 4.99 VAL PHE assign ( resid 61 and name HG2* ) ( resid 62 and name HN ) 3.61 2.01 0 !#SUP 6.35 VAL PHE assign ( resid 61 and name HG2* ) ( resid 62 and name HD* ) 4.15 2.55 0 !#SUP 3.01 VAL PHE assign ( resid 61 and name HN ) ( resid 62 and name HN ) 4.82 3.22 0 !#SUP 6.59 VAL PHE assign ( resid 62 and name HA ) ( resid 63 and name HB3 ) 5.5 3.9 0 !#SUP 3.32 PHE GLU assign ( resid 62 and name HA ) ( resid 63 and name HN ) 3.22 1.62 0 !#SUP 5.51 PHE GLU assign ( resid 62 and name HB2 ) ( resid 63 and name HN ) 4.1 2.5 0 !#SUP 5.5 PHE GLU assign ( resid 62 and name HB3 ) ( resid 63 and name HN ) 4.18 2.58 0 !#SUP 5.26 PHE GLU assign ( resid 62 and name HN ) ( resid 63 and name HG* ) 5.5 3.9 0 !#SUP 3.44 PHE GLU assign ( resid 62 and name HN ) ( resid 63 and name HN ) 4.81 3.21 0 !#SUP 5.76 PHE GLU assign ( resid 62 and name HD* ) ( resid 64 and name QQD* ) 4.34 2.74 0 !#SUP 1.82 PHE LEU assign ( resid 62 and name HE* ) ( resid 64 and name HN ) 5.5 3.9 0 !#SUP 3.89 PHE LEU assign ( resid 62 and name HE* ) ( resid 64 and name HG ) 3.41 1.81 0 !#SUP 2.55 PHE LEU assign ( resid 62 and name HE* ) ( resid 64 and name QQD* ) 3.79 2.19 0 !#SUP 2.89 PHE LEU assign ( resid 62 and name HN ) ( resid 81 and name HG2* ) 5.5 3.9 0 !#SUP 1.38 PHE THR assign ( resid 63 and name HA ) ( resid 63 and name HG* ) 3.66 2.06 0 !#SUP 4.62 GLU GLU assign ( resid 63 and name HN ) ( resid 63 and name HG* ) 4.44 2.84 0 !#SUP 5.63 GLU GLU assign ( resid 63 and name HN ) ( resid 63 and name HB2 ) 3.83 2.23 0 !#SUP 5.05 GLU GLU assign ( resid 63 and name HN ) ( resid 63 and name HB3 ) 3.83 2.23 0 !#SUP 5.77 GLU GLU assign ( resid 63 and name HA ) ( resid 64 and name HG ) 4.69 3.09 0 !#SUP 5.92 GLU LEU assign ( resid 63 and name HA ) ( resid 64 and name HN ) 3.18 1.58 0 !#SUP 7.45 GLU LEU assign ( resid 63 and name HB2 ) ( resid 64 and name HN ) 4.54 2.94 0 !#SUP 5.87 GLU LEU assign ( resid 63 and name HB3 ) ( resid 64 and name HN ) 4.84 3.24 0 !#SUP 5.87 GLU LEU assign ( resid 63 and name HG* ) ( resid 64 and name HN ) 4.21 2.61 0 !#SUP 5.87 GLU LEU assign ( resid 63 and name HA ) ( resid 65 and name HN ) 5.5 3.9 0 !#SUP 4.66 GLU GLY assign ( resid 63 and name HN ) ( resid 65 and name HN ) 5.24 3.64 0 !#SUP 4.62 GLU GLY assign ( resid 63 and name HB2 ) ( resid 66 and name HB ) 3.56 1.96 0 !#SUP 4.94 GLU VAL assign ( resid 63 and name HB2 ) ( resid 66 and name HG2* ) 3.71 2.11 0 !#SUP 4.43 GLU VAL assign ( resid 63 and name HB2 ) ( resid 66 and name HG1* ) 4.13 2.53 0 !#SUP 4 GLU VAL assign ( resid 63 and name HB3 ) ( resid 66 and name HN ) 5.31 3.71 0 !#SUP 2.97 GLU VAL assign ( resid 63 and name HB3 ) ( resid 66 and name HB ) 3.61 2.01 0 !#SUP 5.6 GLU VAL assign ( resid 63 and name HB3 ) ( resid 66 and name HG2* ) 3.78 2.18 0 !#SUP 5.44 GLU VAL assign ( resid 63 and name HB3 ) ( resid 66 and name HG1* ) 4.1 2.5 0 !#SUP 4.97 GLU VAL assign ( resid 63 and name HN ) ( resid 66 and name HG2* ) 5.5 3.9 0 !#SUP 5.55 GLU VAL assign ( resid 63 and name HN ) ( resid 66 and name HB ) 4.3 2.7 0 !#SUP 5.07 GLU VAL assign ( resid 63 and name HN ) ( resid 66 and name HG1* ) 5.2 3.6 0 !#SUP 4.31 GLU VAL assign ( resid 63 and name HB2 ) ( resid 81 and name HG2* ) 4.49 2.89 0 !#SUP 0.99 GLU THR assign ( resid 64 and name HA ) ( resid 64 and name QQD* ) 3.43 1.83 0 !#SUP 5.75 LEU LEU assign ( resid 64 and name HB2 ) ( resid 64 and name QQD* ) 3.86 2.26 0 !#SUP 5 LEU LEU assign ( resid 64 and name HB3 ) ( resid 64 and name QQD* ) 3.8 2.2 0 !#SUP 5 LEU LEU assign ( resid 64 and name HN ) ( resid 64 and name HB2 ) 3.85 2.25 0 !#SUP 6.48 LEU LEU assign ( resid 64 and name HN ) ( resid 64 and name QQD* ) 4.35 2.75 0 !#SUP 6.48 LEU LEU assign ( resid 64 and name HN ) ( resid 64 and name HG ) 3.4 1.8 0 !#SUP 7.06 LEU LEU assign ( resid 64 and name HA ) ( resid 65 and name HN ) 3.25 1.65 0 !#SUP 8.25 LEU GLY assign ( resid 64 and name HA ) ( resid 65 and name HA2 ) 4.34 2.74 0 !#SUP 4.83 LEU GLY assign ( resid 64 and name HA ) ( resid 65 and name HA3 ) 5.02 3.42 0 !#SUP 4.88 LEU GLY assign ( resid 64 and name HB2 ) ( resid 65 and name HN ) 4.76 3.16 0 !#SUP 6.43 LEU GLY assign ( resid 64 and name HB3 ) ( resid 65 and name HN ) 4.57 2.97 0 !#SUP 6.43 LEU GLY assign ( resid 64 and name HG ) ( resid 65 and name HN ) 5.04 3.44 0 !#SUP 6.98 LEU GLY assign ( resid 64 and name HN ) ( resid 65 and name HN ) 5.5 3.9 0 !#SUP 7.12 LEU GLY assign ( resid 64 and name QQD* ) ( resid 65 and name HN ) 4.1 2.5 0 !#SUP 7.47 LEU GLY assign ( resid 64 and name HA ) ( resid 66 and name HG2* ) 4.48 2.88 0 !#SUP 3.72 LEU VAL assign ( resid 64 and name QQD* ) ( resid 66 and name HN ) 5.5 3.9 0 !#SUP 2.24 LEU VAL assign ( resid 64 and name HA ) ( resid 82 and name HB* ) 5.05 3.45 0 !#SUP 0.75 LEU TRP assign ( resid 64 and name QQD* ) ( resid 82 and name HN ) 5.42 3.82 0 !#SUP 2.91 LEU TRP assign ( resid 64 and name QQD* ) ( resid 82 and name HB* ) 3.83 2.23 0 !#SUP 3.54 LEU TRP assign ( resid 64 and name HB2 ) ( resid 83 and name HA ) 4.92 3.32 0 !#SUP 1.5 LEU SER assign ( resid 64 and name QQD* ) ( resid 83 and name HN ) 5.5 3.9 0 !#SUP 3.63 LEU SER assign ( resid 64 and name QQD* ) ( resid 83 and name HB3 ) 5.5 3.9 0 !#SUP 3.22 LEU SER assign ( resid 64 and name QQD* ) ( resid 83 and name HA ) 3.95 2.35 0 !#SUP 7.42 LEU SER assign ( resid 64 and name QQD* ) ( resid 84 and name HN ) 4.27 2.67 0 !#SUP 5.05 LEU LEU assign ( resid 64 and name QQD* ) ( resid 84 and name HB2 ) 5.12 3.52 0 !#SUP 2.96 LEU LEU assign ( resid 64 and name QQD* ) ( resid 84 and name HD2* ) 3.94 2.34 0 !#SUP 3.26 LEU LEU assign ( resid 64 and name QQD* ) ( resid 84 and name HB3 ) 4.33 2.73 0 !#SUP 2.96 LEU LEU assign ( resid 64 and name HG ) ( resid 89 and name HD1* ) 5.06 3.46 0 !#SUP 2 LEU LEU assign ( resid 64 and name HG ) ( resid 89 and name HD2* ) 4.28 2.68 0 !#SUP 2 LEU LEU assign ( resid 64 and name QQD* ) ( resid 89 and name HD2* ) 3.77 2.17 0 !#SUP 2 LEU LEU assign ( resid 64 and name QQD* ) ( resid 89 and name HD1* ) 4.73 3.13 0 !#SUP 2 LEU LEU assign ( resid 65 and name HA2 ) ( resid 66 and name HG2* ) 4.56 2.96 0 !#SUP 5.02 GLY VAL assign ( resid 65 and name HA3 ) ( resid 66 and name HG2* ) 4.63 3.03 0 !#SUP 5.02 GLY VAL assign ( resid 65 and name HN ) ( resid 66 and name HN ) 3.89 2.29 0 !#SUP 4.94 GLY VAL assign ( resid 65 and name HN ) ( resid 81 and name HG2* ) 4.4 2.8 0 !#SUP 4.78 GLY THR assign ( resid 65 and name HN ) ( resid 81 and name HB ) 4.19 2.59 0 !#SUP 1.9 GLY THR assign ( resid 65 and name HN ) ( resid 82 and name HN ) 4.74 3.14 0 !#SUP 4.62 GLY TRP assign ( resid 65 and name HN ) ( resid 83 and name HA ) 4.25 2.65 0 !#SUP 3.48 GLY SER assign ( resid 65 and name HN ) ( resid 83 and name HB2 ) 5.03 3.43 0 !#SUP 1.59 GLY SER assign ( resid 66 and name HA ) ( resid 66 and name HG1* ) 3.19 1.59 0 !#SUP 4 VAL VAL assign ( resid 66 and name HA ) ( resid 66 and name HG2* ) 3.2 1.6 0 !#SUP 4.76 VAL VAL assign ( resid 66 and name HN ) ( resid 66 and name HG2* ) 3.35 1.75 0 !#SUP 6.94 VAL VAL assign ( resid 66 and name HN ) ( resid 66 and name HB ) 3.56 1.96 0 !#SUP 5.3 VAL VAL assign ( resid 66 and name HN ) ( resid 66 and name HG1* ) 4.05 2.45 0 !#SUP 5.3 VAL VAL assign ( resid 66 and name HA ) ( resid 67 and name HN ) 2.69 1.09 0 !#SUP 4.9 VAL THR assign ( resid 66 and name HB ) ( resid 67 and name HN ) 5.31 3.71 0 !#SUP 4.9 VAL THR assign ( resid 66 and name HG1* ) ( resid 67 and name HN ) 3.37 1.77 0 !#SUP 5.37 VAL THR assign ( resid 66 and name HG2* ) ( resid 67 and name HN ) 4.34 2.74 0 !#SUP 5.07 VAL THR assign ( resid 66 and name HN ) ( resid 67 and name HN ) 4.42 2.82 0 !#SUP 4.9 VAL THR assign ( resid 66 and name HB ) ( resid 81 and name HG2* ) 4.28 2.68 0 !#SUP 2.49 VAL THR assign ( resid 66 and name HN ) ( resid 81 and name HG2* ) 4.07 2.47 0 !#SUP 3.7 VAL THR assign ( resid 67 and name HA ) ( resid 67 and name HG2* ) 3.64 2.04 0 !#SUP 3.94 THR THR assign ( resid 67 and name HN ) ( resid 67 and name HB ) 3.1 1.5 0 !#SUP 4.33 THR THR assign ( resid 67 and name HA ) ( resid 68 and name HN ) 3.09 1.49 0 !#SUP 5.96 THR PHE assign ( resid 67 and name HA ) ( resid 68 and name HA ) 4.64 3.04 0 !#SUP 4.66 THR PHE assign ( resid 67 and name HA ) ( resid 68 and name HD* ) 4.22 2.62 0 !#SUP 4.42 THR PHE assign ( resid 67 and name HB ) ( resid 68 and name HN ) 4.77 3.17 0 !#SUP 4.86 THR PHE assign ( resid 67 and name HG2* ) ( resid 68 and name HN ) 3.92 2.32 0 !#SUP 4.98 THR PHE assign ( resid 67 and name HG2* ) ( resid 68 and name HA ) 5.48 3.88 0 !#SUP 3.79 THR PHE assign ( resid 67 and name HN ) ( resid 68 and name HN ) 4.64 3.04 0 !#SUP 4.82 THR PHE assign ( resid 67 and name HG2* ) ( resid 79 and name HN ) 5.39 3.79 0 !#SUP 5.05 THR ARG assign ( resid 67 and name HG2* ) ( resid 79 and name HE ) 5.04 3.44 0 !#SUP 4.24 THR ARG assign ( resid 67 and name HG2* ) ( resid 79 and name HG3 ) 3.81 2.21 0 !#SUP 5.72 THR ARG assign ( resid 67 and name HG2* ) ( resid 79 and name HG2 ) 3.17 1.57 0 !#SUP 6.57 THR ARG assign ( resid 67 and name HG2* ) ( resid 79 and name HD3 ) 4.18 2.58 0 !#SUP 4.27 THR ARG assign ( resid 67 and name HG2* ) ( resid 79 and name HD2 ) 4.19 2.59 0 !#SUP 4.78 THR ARG assign ( resid 67 and name HG2* ) ( resid 79 and name HA ) 4.74 3.14 0 !#SUP 6.72 THR ARG assign ( resid 67 and name HA ) ( resid 80 and name HN ) 5.04 3.44 0 !#SUP 2.13 THR GLY assign ( resid 67 and name HG2* ) ( resid 80 and name HA3 ) 5.4 3.8 0 !#SUP 5.77 THR GLY assign ( resid 67 and name HG2* ) ( resid 80 and name HA2 ) 5.5 3.9 0 !#SUP 7.36 THR GLY assign ( resid 67 and name HG2* ) ( resid 80 and name HN ) 3.64 2.04 0 !#SUP 9.41 THR GLY assign ( resid 67 and name HA ) ( resid 81 and name HG2* ) 3.64 2.04 0 !#SUP 3.86 THR THR assign ( resid 67 and name HG2* ) ( resid 81 and name HN ) 5.39 3.79 0 !#SUP 3 THR THR assign ( resid 67 and name HG2* ) ( resid 81 and name HG2* ) 4.69 3.09 0 !#SUP 6.32 THR THR assign ( resid 67 and name HN ) ( resid 81 and name HB ) 5.5 3.9 0 !#SUP 0.75 THR THR assign ( resid 67 and name HN ) ( resid 81 and name HG2* ) 4.48 2.88 0 !#SUP 5.42 THR THR assign ( resid 68 and name HA ) ( resid 68 and name HD* ) 4.8 3.2 0 !#SUP 6.39 PHE PHE assign ( resid 68 and name HN ) ( resid 68 and name HE* ) 5.36 3.76 0 !#SUP 3.65 PHE PHE assign ( resid 68 and name HN ) ( resid 68 and name HD* ) 3.91 2.31 0 !#SUP 7.03 PHE PHE assign ( resid 68 and name HA ) ( resid 69 and name HB* ) 4.61 3.01 0 !#SUP 4.62 PHE ASN assign ( resid 68 and name HA ) ( resid 69 and name HN ) 3.28 1.68 0 !#SUP 6 PHE ASN assign ( resid 68 and name HA ) ( resid 69 and name HA ) 5.5 3.9 0 !#SUP 3.77 PHE ASN assign ( resid 68 and name HB2 ) ( resid 69 and name HN ) 3.81 2.21 0 !#SUP 4.68 PHE ASN assign ( resid 68 and name HB3 ) ( resid 69 and name HN ) 3.95 2.35 0 !#SUP 4.68 PHE ASN assign ( resid 68 and name HD* ) ( resid 69 and name HN ) 4.62 3.02 0 !#SUP 5.57 PHE ASN assign ( resid 68 and name HN ) ( resid 69 and name HN ) 5.25 3.65 0 !#SUP 5 PHE ASN assign ( resid 68 and name HD* ) ( resid 70 and name HB2 ) 4.64 3.04 0 !#SUP 1.38 PHE TYR assign ( resid 68 and name HE* ) ( resid 70 and name HB2 ) 4.29 2.69 0 !#SUP 0.84 PHE TYR assign ( resid 68 and name HN ) ( resid 79 and name HA ) 5.5 3.9 0 !#SUP 2.96 PHE ARG assign ( resid 68 and name HN ) ( resid 80 and name HN ) 3.94 2.34 0 !#SUP 5.95 PHE GLY assign ( resid 68 and name HN ) ( resid 80 and name HA2 ) 5.3 3.7 0 !#SUP 3.02 PHE GLY assign ( resid 68 and name HB2 ) ( resid 81 and name HG2* ) 5.5 3.9 0 !#SUP 1.46 PHE THR assign ( resid 68 and name HD* ) ( resid 81 and name HA ) 5.5 3.9 0 !#SUP 1.5 PHE THR assign ( resid 68 and name HE* ) ( resid 81 and name HA ) 4.4 2.8 0 !#SUP 1.5 PHE THR assign ( resid 68 and name HN ) ( resid 81 and name HG2* ) 3.96 2.36 0 !#SUP 5.41 PHE THR assign ( resid 68 and name HN ) ( resid 81 and name HA ) 5.5 3.9 0 !#SUP 3.76 PHE THR assign ( resid 69 and name HN ) ( resid 69 and name HB* ) 3.64 2.04 0 !#SUP 5.6 ASN ASN assign ( resid 69 and name HA ) ( resid 70 and name HN ) 3.27 1.67 0 !#SUP 3.64 ASN TYR assign ( resid 69 and name HA ) ( resid 70 and name HB3 ) 5.36 3.76 0 !#SUP 3.19 ASN TYR assign ( resid 69 and name HB* ) ( resid 70 and name HN ) 4.22 2.62 0 !#SUP 4.55 ASN TYR assign ( resid 69 and name HB* ) ( resid 70 and name HA ) 5.5 3.9 0 !#SUP 4.68 ASN TYR assign ( resid 69 and name HD22 ) ( resid 70 and name HA ) 4.47 2.87 0 !#SUP 3.29 ASN TYR assign ( resid 69 and name HN ) ( resid 70 and name HN ) 5.5 3.9 0 !#SUP 3.05 ASN TYR assign ( resid 69 and name HB* ) ( resid 77 and name HG3 ) 5.5 3.9 0 !#SUP 2.18 ASN GLU assign ( resid 69 and name HB* ) ( resid 77 and name HB2 ) 5.27 3.67 0 !#SUP 2.25 ASN GLU assign ( resid 69 and name HB* ) ( resid 78 and name HN ) 5.5 3.9 0 !#SUP 4.76 ASN LEU assign ( resid 69 and name HA ) ( resid 79 and name HB* ) 5.1 3.5 0 !#SUP 2.83 ASN ARG assign ( resid 69 and name HA ) ( resid 79 and name HA ) 3.62 2.02 0 !#SUP 7.26 ASN ARG assign ( resid 69 and name HA ) ( resid 79 and name HG3 ) 5.5 3.9 0 !#SUP 3 ASN ARG assign ( resid 69 and name HA ) ( resid 79 and name HG2 ) 4.6 3 0 !#SUP 4.74 ASN ARG assign ( resid 69 and name HB* ) ( resid 79 and name HA ) 4.79 3.19 0 !#SUP 2.67 ASN ARG assign ( resid 69 and name HN ) ( resid 79 and name HG2 ) 5.5 3.9 0 !#SUP 1.51 ASN ARG assign ( resid 69 and name HA ) ( resid 80 and name HN ) 4.95 3.35 0 !#SUP 4.77 ASN GLY assign ( resid 69 and name HN ) ( resid 80 and name HN ) 5.5 3.9 0 !#SUP 2.94 ASN GLY assign ( resid 70 and name HA ) ( resid 70 and name HD* ) 4.17 2.57 0 !#SUP 4.49 TYR TYR assign ( resid 70 and name HA ) ( resid 71 and name HN ) 3.42 1.82 0 !#SUP 4.72 TYR ASN assign ( resid 70 and name HB2 ) ( resid 71 and name HN ) 5.5 3.9 0 !#SUP 4.21 TYR ASN assign ( resid 70 and name HD* ) ( resid 71 and name HN ) 5.16 3.56 0 !#SUP 5.06 TYR ASN assign ( resid 70 and name HD* ) ( resid 72 and name HD2* ) 4.15 2.55 0 !#SUP 1.69 TYR LEU assign ( resid 70 and name HE* ) ( resid 72 and name HG ) 5.5 3.9 0 !#SUP 3.16 TYR LEU assign ( resid 70 and name HE* ) ( resid 72 and name HD1* ) 4.96 3.36 0 !#SUP 2.25 TYR LEU assign ( resid 70 and name HE* ) ( resid 72 and name HD2* ) 3.48 1.88 0 !#SUP 4.15 TYR LEU assign ( resid 70 and name HE* ) ( resid 72 and name HA ) 3.98 2.38 0 !#SUP 2.89 TYR LEU assign ( resid 70 and name HB2 ) ( resid 78 and name HB2 ) 5.4 3.8 0 !#SUP 2.25 TYR LEU assign ( resid 70 and name HB3 ) ( resid 78 and name HN ) 3.92 2.32 0 !#SUP 5.46 TYR LEU assign ( resid 70 and name HB3 ) ( resid 78 and name HB2 ) 5.5 3.9 0 !#SUP 5.67 TYR LEU assign ( resid 70 and name HB3 ) ( resid 78 and name HD2* ) 5.05 3.45 0 !#SUP 3.93 TYR LEU assign ( resid 70 and name HD* ) ( resid 78 and name HN ) 5.5 3.9 0 !#SUP 5.09 TYR LEU assign ( resid 70 and name HD* ) ( resid 78 and name HB2 ) 5.5 3.9 0 !#SUP 5.31 TYR LEU assign ( resid 70 and name HD* ) ( resid 78 and name HG ) 5.5 3.9 0 !#SUP 2.25 TYR LEU assign ( resid 70 and name HD* ) ( resid 78 and name HD2* ) 4.12 2.52 0 !#SUP 4.97 TYR LEU assign ( resid 70 and name HE* ) ( resid 78 and name HD2* ) 5.05 3.45 0 !#SUP 0.97 TYR LEU assign ( resid 70 and name HN ) ( resid 78 and name HN ) 5.47 3.87 0 !#SUP 4.02 TYR LEU assign ( resid 70 and name HN ) ( resid 78 and name HB2 ) 5.5 3.9 0 !#SUP 3.58 TYR LEU assign ( resid 70 and name HB3 ) ( resid 79 and name HA ) 5.15 3.55 0 !#SUP 3.61 TYR ARG assign ( resid 70 and name HN ) ( resid 79 and name HA ) 5.5 3.9 0 !#SUP 3.41 TYR ARG assign ( resid 70 and name HB2 ) ( resid 81 and name HG2* ) 5.5 3.9 0 !#SUP 0.75 TYR THR assign ( resid 71 and name HA ) ( resid 71 and name HD22 ) 5.27 3.67 0 !#SUP 4.63 ASN ASN assign ( resid 71 and name HN ) ( resid 71 and name HD22 ) 5.5 3.9 0 !#SUP 5.06 ASN ASN assign ( resid 71 and name HN ) ( resid 71 and name HB3 ) 4.12 2.52 0 !#SUP 5.97 ASN ASN assign ( resid 71 and name HN ) ( resid 71 and name HB2 ) 4.16 2.56 0 !#SUP 5.62 ASN ASN assign ( resid 71 and name HA ) ( resid 72 and name HB3 ) 5.5 3.9 0 !#SUP 5.42 ASN LEU assign ( resid 71 and name HA ) ( resid 72 and name HG ) 5.21 3.61 0 !#SUP 5.74 ASN LEU assign ( resid 71 and name HA ) ( resid 72 and name HN ) 3.44 1.84 0 !#SUP 6.76 ASN LEU assign ( resid 71 and name HB2 ) ( resid 72 and name HN ) 4.66 3.06 0 !#SUP 5.93 ASN LEU assign ( resid 71 and name HB3 ) ( resid 72 and name HN ) 4.64 3.04 0 !#SUP 5.8 ASN LEU assign ( resid 71 and name HN ) ( resid 72 and name HN ) 5.42 3.82 0 !#SUP 5.86 ASN LEU assign ( resid 71 and name HB3 ) ( resid 75 and name HN ) 5.5 3.9 0 !#SUP 1.32 ASN GLY assign ( resid 71 and name HA ) ( resid 76 and name HN ) 5.5 3.9 0 !#SUP 4.13 ASN THR assign ( resid 71 and name HA ) ( resid 77 and name HN ) 5.43 3.83 0 !#SUP 3.71 ASN GLU assign ( resid 71 and name HA ) ( resid 77 and name HA ) 3.78 2.18 0 !#SUP 6.76 ASN GLU assign ( resid 71 and name HB2 ) ( resid 77 and name HA ) 4.9 3.3 0 !#SUP 3 ASN GLU assign ( resid 71 and name HB3 ) ( resid 77 and name HA ) 5.41 3.81 0 !#SUP 3 ASN GLU assign ( resid 71 and name HD21 ) ( resid 77 and name HB2 ) 5.5 3.9 0 !#SUP 0.75 ASN GLU assign ( resid 71 and name HD22 ) ( resid 77 and name HB2 ) 5.5 3.9 0 !#SUP 2.96 ASN GLU assign ( resid 71 and name HD22 ) ( resid 77 and name HA ) 5.5 3.9 0 !#SUP 5.27 ASN GLU assign ( resid 71 and name HD22 ) ( resid 77 and name HB3 ) 5.5 3.9 0 !#SUP 1.5 ASN GLU assign ( resid 71 and name HA ) ( resid 78 and name HB3 ) 5.5 3.9 0 !#SUP 1.89 ASN LEU assign ( resid 71 and name HA ) ( resid 78 and name HN ) 4.3 2.7 0 !#SUP 4.18 ASN LEU assign ( resid 72 and name HA ) ( resid 72 and name HD2* ) 3.59 1.99 0 !#SUP 6.36 LEU LEU assign ( resid 72 and name HA ) ( resid 72 and name HD1* ) 4.92 3.32 0 !#SUP 6.88 LEU LEU assign ( resid 72 and name HB2 ) ( resid 72 and name HD1* ) 3.32 1.72 0 !#SUP 6 LEU LEU assign ( resid 72 and name HB3 ) ( resid 72 and name HD1* ) 3.67 2.07 0 !#SUP 5.67 LEU LEU assign ( resid 72 and name HB3 ) ( resid 72 and name HD2* ) 4.16 2.56 0 !#SUP 5.66 LEU LEU assign ( resid 72 and name HN ) ( resid 72 and name HD2* ) 4.74 3.14 0 !#SUP 7.01 LEU LEU assign ( resid 72 and name HN ) ( resid 72 and name HB3 ) 4.08 2.48 0 !#SUP 7.22 LEU LEU assign ( resid 72 and name HN ) ( resid 72 and name HG ) 3.82 2.22 0 !#SUP 7.1 LEU LEU assign ( resid 72 and name HN ) ( resid 72 and name HD1* ) 3.98 2.38 0 !#SUP 6.85 LEU LEU assign ( resid 72 and name HA ) ( resid 73 and name HB* ) 5.07 3.47 0 !#SUP 5.49 LEU ALA assign ( resid 72 and name HA ) ( resid 73 and name HN ) 3.49 1.89 0 !#SUP 6.65 LEU ALA assign ( resid 72 and name HA ) ( resid 73 and name HA ) 5.5 3.9 0 !#SUP 5.22 LEU ALA assign ( resid 72 and name HB2 ) ( resid 73 and name HN ) 4.08 2.48 0 !#SUP 6.31 LEU ALA assign ( resid 72 and name HD1* ) ( resid 73 and name HN ) 5.5 3.9 0 !#SUP 5.69 LEU ALA assign ( resid 72 and name HA ) ( resid 74 and name HN ) 4.7 3.1 0 !#SUP 5.8 LEU ASP assign ( resid 72 and name HB2 ) ( resid 74 and name HN ) 4.19 2.59 0 !#SUP 6.83 LEU ASP assign ( resid 72 and name HB2 ) ( resid 74 and name HB2 ) 4.73 3.13 0 !#SUP 3.01 LEU ASP assign ( resid 72 and name HB3 ) ( resid 74 and name HN ) 4.6 3 0 !#SUP 5.22 LEU ASP assign ( resid 72 and name HD1* ) ( resid 74 and name HN ) 5.39 3.79 0 !#SUP 4.41 LEU ASP assign ( resid 72 and name HB2 ) ( resid 75 and name HN ) 5.27 3.67 0 !#SUP 7.05 LEU GLY assign ( resid 72 and name HB3 ) ( resid 75 and name HN ) 4.9 3.3 0 !#SUP 6.38 LEU GLY assign ( resid 72 and name HN ) ( resid 75 and name HN ) 4.85 3.25 0 !#SUP 5.86 LEU GLY assign ( resid 72 and name HB2 ) ( resid 76 and name HN ) 4.28 2.68 0 !#SUP 5.27 LEU THR assign ( resid 72 and name HB2 ) ( resid 76 and name HB ) 4.44 2.84 0 !#SUP 5.91 LEU THR assign ( resid 72 and name HB3 ) ( resid 76 and name HN ) 3.93 2.33 0 !#SUP 6.95 LEU THR assign ( resid 72 and name HB3 ) ( resid 76 and name HB ) 4.26 2.66 0 !#SUP 6.98 LEU THR assign ( resid 72 and name HB3 ) ( resid 76 and name HA ) 4.49 2.89 0 !#SUP 3.39 LEU THR assign ( resid 72 and name HD1* ) ( resid 76 and name HA ) 5.5 3.9 0 !#SUP 4.4 LEU THR assign ( resid 72 and name HD1* ) ( resid 76 and name HN ) 4.4 2.8 0 !#SUP 7.16 LEU THR assign ( resid 72 and name HD1* ) ( resid 76 and name HB ) 3.65 2.05 0 !#SUP 8 LEU THR assign ( resid 72 and name HG ) ( resid 76 and name HB ) 4.45 2.85 0 !#SUP 3 LEU THR assign ( resid 72 and name HN ) ( resid 76 and name HN ) 4.47 2.87 0 !#SUP 6.25 LEU THR assign ( resid 72 and name HN ) ( resid 76 and name HB ) 5.14 3.54 0 !#SUP 6.26 LEU THR assign ( resid 72 and name HD1* ) ( resid 77 and name HN ) 4.92 3.32 0 !#SUP 2.95 LEU GLU assign ( resid 72 and name HN ) ( resid 77 and name HA ) 4.92 3.32 0 !#SUP 4.51 LEU GLU assign ( resid 72 and name HD2* ) ( resid 78 and name HD1* ) 4.38 2.78 0 !#SUP 2.65 LEU LEU assign ( resid 72 and name HD2* ) ( resid 78 and name HD2* ) 3.84 2.24 0 !#SUP 1.8 LEU LEU assign ( resid 72 and name HN ) ( resid 78 and name HD1* ) 4.98 3.38 0 !#SUP 2.27 LEU LEU assign ( resid 73 and name HN ) ( resid 73 and name HB* ) 3.5 1.9 0 !#SUP 4.29 ALA ALA assign ( resid 73 and name HB* ) ( resid 74 and name HN ) 4.23 2.63 0 !#SUP 6.3 ALA ASP assign ( resid 73 and name HN ) ( resid 74 and name HB2 ) 5.5 3.9 0 !#SUP 4 ALA ASP assign ( resid 73 and name HN ) ( resid 74 and name HN ) 4.08 2.48 0 !#SUP 6.9 ALA ASP assign ( resid 73 and name HA ) ( resid 75 and name HN ) 4.44 2.84 0 !#SUP 3.75 ALA GLY assign ( resid 73 and name HB* ) ( resid 75 and name HN ) 5.28 3.68 0 !#SUP 3.62 ALA GLY assign ( resid 74 and name HN ) ( resid 74 and name HB2 ) 4.12 2.52 0 !#SUP 5.61 ASP ASP assign ( resid 74 and name HN ) ( resid 74 and name HB3 ) 3.81 2.21 0 !#SUP 4.07 ASP ASP assign ( resid 74 and name HB2 ) ( resid 75 and name HN ) 5.16 3.56 0 !#SUP 5.64 ASP GLY assign ( resid 74 and name HN ) ( resid 75 and name HA3 ) 5.31 3.71 0 !#SUP 4.05 ASP GLY assign ( resid 74 and name HN ) ( resid 75 and name HN ) 3.38 1.78 0 !#SUP 7.85 ASP GLY assign ( resid 74 and name HB2 ) ( resid 76 and name HN ) 5.18 3.58 0 !#SUP 4.05 ASP THR assign ( resid 74 and name HB2 ) ( resid 76 and name HG2* ) 5.5 3.9 0 !#SUP 1.9 ASP THR assign ( resid 74 and name HN ) ( resid 76 and name HN ) 4.18 2.58 0 !#SUP 4.53 ASP THR assign ( resid 74 and name HN ) ( resid 76 and name HB ) 5.5 3.9 0 !#SUP 2.33 ASP THR assign ( resid 75 and name HN ) ( resid 76 and name HN ) 3.48 1.88 0 !#SUP 5.78 GLY THR assign ( resid 75 and name HN ) ( resid 76 and name HB ) 5.5 3.9 0 !#SUP 3.85 GLY THR assign ( resid 76 and name HA ) ( resid 76 and name HG2* ) 3.54 1.94 0 !#SUP 2.74 THR THR assign ( resid 76 and name HN ) ( resid 76 and name HB ) 3.58 1.98 0 !#SUP 5.06 THR THR assign ( resid 76 and name HN ) ( resid 76 and name HG2* ) 4.28 2.68 0 !#SUP 4.58 THR THR assign ( resid 76 and name HB ) ( resid 77 and name HN ) 4.97 3.37 0 !#SUP 4.67 THR GLU assign ( resid 76 and name HG2* ) ( resid 77 and name HA ) 5.13 3.53 0 !#SUP 4.19 THR GLU assign ( resid 76 and name HG2* ) ( resid 77 and name HG2 ) 4.55 2.95 0 !#SUP 2.81 THR GLU assign ( resid 76 and name HN ) ( resid 77 and name HN ) 4.7 3.1 0 !#SUP 3.96 THR GLU assign ( resid 76 and name HB ) ( resid 78 and name HD1* ) 4.87 3.27 0 !#SUP 3.1 THR LEU assign ( resid 76 and name HG2* ) ( resid 78 and name HD1* ) 3.77 2.17 0 !#SUP 2.89 THR LEU assign ( resid 76 and name HG2* ) ( resid 95 and name HG2 ) 4.65 3.05 0 !#SUP 3.62 THR ARG assign ( resid 76 and name HG2* ) ( resid 95 and name HD3 ) 4.37 2.77 0 !#SUP 3.2 THR ARG assign ( resid 76 and name HG2* ) ( resid 95 and name HB3 ) 5.5 3.9 0 !#SUP 3.75 THR ARG assign ( resid 76 and name HG2* ) ( resid 95 and name HA ) 3.55 1.95 0 !#SUP 3.2 THR ARG assign ( resid 76 and name HG2* ) ( resid 95 and name HG3 ) 5.42 3.82 0 !#SUP 3.29 THR ARG assign ( resid 76 and name HG2* ) ( resid 96 and name HN ) 5.5 3.9 0 !#SUP 4.87 THR THR assign ( resid 76 and name HG2* ) ( resid 97 and name HN ) 4.51 2.91 0 !#SUP 1.32 THR ASP assign ( resid 77 and name HA ) ( resid 77 and name HG2 ) 4.13 2.53 0 !#SUP 5.19 GLU GLU assign ( resid 77 and name HN ) ( resid 77 and name HB3 ) 3.48 1.88 0 !#SUP 5.5 GLU GLU assign ( resid 77 and name HN ) ( resid 77 and name HG3 ) 4.7 3.1 0 !#SUP 5.5 GLU GLU assign ( resid 77 and name HA ) ( resid 78 and name HN ) 3.42 1.82 0 !#SUP 8.07 GLU LEU assign ( resid 77 and name HA ) ( resid 78 and name HG ) 5.5 3.9 0 !#SUP 5.73 GLU LEU assign ( resid 77 and name HA ) ( resid 78 and name HA ) 5.42 3.82 0 !#SUP 7.02 GLU LEU assign ( resid 77 and name HB2 ) ( resid 78 and name HN ) 4.82 3.22 0 !#SUP 6.92 GLU LEU assign ( resid 77 and name HB2 ) ( resid 78 and name HA ) 5.5 3.9 0 !#SUP 6.06 GLU LEU assign ( resid 77 and name HB3 ) ( resid 78 and name HN ) 4.94 3.34 0 !#SUP 6.63 GLU LEU assign ( resid 77 and name HG3 ) ( resid 78 and name HN ) 4.51 2.91 0 !#SUP 7.66 GLU LEU assign ( resid 77 and name HG3 ) ( resid 78 and name HA ) 5.5 3.9 0 !#SUP 6.13 GLU LEU assign ( resid 77 and name HN ) ( resid 78 and name HN ) 4.88 3.28 0 !#SUP 7.18 GLU LEU assign ( resid 77 and name HN ) ( resid 78 and name HD1* ) 5.5 3.9 0 !#SUP 5.9 GLU LEU assign ( resid 77 and name HB3 ) ( resid 96 and name HB ) 4.94 3.34 0 !#SUP 2.43 GLU THR assign ( resid 77 and name HG3 ) ( resid 96 and name HG2* ) 5.5 3.9 0 !#SUP 4.8 GLU THR assign ( resid 77 and name HG3 ) ( resid 96 and name HN ) 5.5 3.9 0 !#SUP 5.32 GLU THR assign ( resid 77 and name HG3 ) ( resid 96 and name HB ) 4.66 3.06 0 !#SUP 4.97 GLU THR assign ( resid 77 and name HG3 ) ( resid 96 and name HA ) 5.37 3.77 0 !#SUP 3.08 GLU THR assign ( resid 77 and name HN ) ( resid 96 and name HB ) 5.5 3.9 0 !#SUP 1.5 GLU THR assign ( resid 78 and name HA ) ( resid 78 and name HD2* ) 5.23 3.63 0 !#SUP 7.07 LEU LEU assign ( resid 78 and name HA ) ( resid 78 and name HD1* ) 3.91 2.31 0 !#SUP 7.95 LEU LEU assign ( resid 78 and name HB2 ) ( resid 78 and name HD2* ) 3.58 1.98 0 !#SUP 5 LEU LEU assign ( resid 78 and name HB3 ) ( resid 78 and name HD2* ) 3.66 2.06 0 !#SUP 5.98 LEU LEU assign ( resid 78 and name HN ) ( resid 78 and name HG ) 4.34 2.74 0 !#SUP 8.27 LEU LEU assign ( resid 78 and name HN ) ( resid 78 and name HD1* ) 5 3.4 0 !#SUP 8.68 LEU LEU assign ( resid 78 and name HN ) ( resid 78 and name HD2* ) 4.49 2.89 0 !#SUP 7.47 LEU LEU assign ( resid 78 and name HA ) ( resid 79 and name HN ) 3.26 1.66 0 !#SUP 7.68 LEU ARG assign ( resid 78 and name HB2 ) ( resid 79 and name HN ) 4.68 3.08 0 !#SUP 7.41 LEU ARG assign ( resid 78 and name HB3 ) ( resid 79 and name HN ) 4.21 2.61 0 !#SUP 7.35 LEU ARG assign ( resid 78 and name HD1* ) ( resid 79 and name HN ) 4.89 3.29 0 !#SUP 8.53 LEU ARG assign ( resid 78 and name HD1* ) ( resid 79 and name HB* ) 5.5 3.9 0 !#SUP 4.82 LEU ARG assign ( resid 78 and name HD2* ) ( resid 79 and name HN ) 4.79 3.19 0 !#SUP 7.41 LEU ARG assign ( resid 78 and name HG ) ( resid 79 and name HN ) 5.5 3.9 0 !#SUP 7.48 LEU ARG assign ( resid 78 and name HN ) ( resid 79 and name HN ) 5.5 3.9 0 !#SUP 7.73 LEU ARG assign ( resid 78 and name HB2 ) ( resid 93 and name HD* ) 4.98 3.38 0 !#SUP 4.97 LEU PHE assign ( resid 78 and name HB2 ) ( resid 93 and name HB3 ) 5.27 3.67 0 !#SUP 5.91 LEU PHE assign ( resid 78 and name HB2 ) ( resid 93 and name HB2 ) 5.38 3.78 0 !#SUP 4 LEU PHE assign ( resid 78 and name HB3 ) ( resid 93 and name HB2 ) 4.98 3.38 0 !#SUP 5.31 LEU PHE assign ( resid 78 and name HB3 ) ( resid 93 and name HB3 ) 4.42 2.82 0 !#SUP 7.87 LEU PHE assign ( resid 78 and name HB3 ) ( resid 93 and name HD* ) 4.39 2.79 0 !#SUP 6.85 LEU PHE assign ( resid 78 and name HD1* ) ( resid 93 and name HB3 ) 4.91 3.31 0 !#SUP 5.13 LEU PHE assign ( resid 78 and name HD2* ) ( resid 93 and name HB2 ) 4.68 3.08 0 !#SUP 4.97 LEU PHE assign ( resid 78 and name HD2* ) ( resid 93 and name HB3 ) 4.49 2.89 0 !#SUP 6.98 LEU PHE assign ( resid 78 and name HD2* ) ( resid 93 and name HD* ) 4.99 3.39 0 !#SUP 6 LEU PHE assign ( resid 78 and name HA ) ( resid 94 and name HN ) 4.57 2.97 0 !#SUP 4.51 LEU LYS assign ( resid 78 and name HD1* ) ( resid 94 and name HN ) 5.09 3.49 0 !#SUP 8.27 LEU LYS assign ( resid 78 and name HD1* ) ( resid 94 and name HB* ) 5.44 3.84 0 !#SUP 4.93 LEU LYS assign ( resid 78 and name HD2* ) ( resid 94 and name HN ) 5.5 3.9 0 !#SUP 6.85 LEU LYS assign ( resid 78 and name HA ) ( resid 95 and name HG3 ) 5.16 3.56 0 !#SUP 3.8 LEU ARG assign ( resid 78 and name HA ) ( resid 95 and name HN ) 5.5 3.9 0 !#SUP 3.8 LEU ARG assign ( resid 78 and name HA ) ( resid 95 and name HA ) 3.61 2.01 0 !#SUP 5.41 LEU ARG assign ( resid 78 and name HD1* ) ( resid 95 and name HB3 ) 5.5 3.9 0 !#SUP 5.53 LEU ARG assign ( resid 78 and name HD1* ) ( resid 95 and name HG3 ) 5 3.4 0 !#SUP 7.18 LEU ARG assign ( resid 78 and name HD1* ) ( resid 95 and name HG2 ) 4.51 2.91 0 !#SUP 5.71 LEU ARG assign ( resid 78 and name HD1* ) ( resid 95 and name HN ) 5.07 3.47 0 !#SUP 7.01 LEU ARG assign ( resid 78 and name HD1* ) ( resid 95 and name HE ) 5.45 3.85 0 !#SUP 3.75 LEU ARG assign ( resid 78 and name HD1* ) ( resid 95 and name HA ) 4.74 3.14 0 !#SUP 8.4 LEU ARG assign ( resid 78 and name HD1* ) ( resid 95 and name HB2 ) 5.28 3.68 0 !#SUP 5.41 LEU ARG assign ( resid 78 and name HA ) ( resid 96 and name HN ) 4.13 2.53 0 !#SUP 6.17 LEU THR assign ( resid 78 and name HA ) ( resid 96 and name HG2* ) 5.09 3.49 0 !#SUP 4.31 LEU THR assign ( resid 78 and name HD1* ) ( resid 96 and name HN ) 4.54 2.94 0 !#SUP 7.77 LEU THR assign ( resid 78 and name HD2* ) ( resid 96 and name HN ) 5.5 3.9 0 !#SUP 2.25 LEU THR assign ( resid 78 and name HN ) ( resid 96 and name HG2* ) 5.5 3.9 0 !#SUP 1.99 LEU THR assign ( resid 79 and name HA ) ( resid 79 and name HD2 ) 5.5 3.9 0 !#SUP 5.03 ARG ARG assign ( resid 79 and name HB* ) ( resid 79 and name HD3 ) 3.32 1.72 0 !#SUP 5.66 ARG ARG assign ( resid 79 and name HB* ) ( resid 79 and name HD2 ) 3.78 2.18 0 !#SUP 6.35 ARG ARG assign ( resid 79 and name HN ) ( resid 79 and name HB* ) 3.71 2.11 0 !#SUP 8.87 ARG ARG assign ( resid 79 and name HN ) ( resid 79 and name HG3 ) 5.49 3.89 0 !#SUP 8.38 ARG ARG assign ( resid 79 and name HN ) ( resid 79 and name HG2 ) 5.3 3.7 0 !#SUP 9.44 ARG ARG assign ( resid 79 and name HA ) ( resid 80 and name HN ) 3.17 1.57 0 !#SUP 4.66 ARG GLY assign ( resid 79 and name HB* ) ( resid 80 and name HN ) 4.14 2.54 0 !#SUP 5.86 ARG GLY assign ( resid 79 and name HG2 ) ( resid 80 and name HN ) 4.46 2.86 0 !#SUP 6.69 ARG GLY assign ( resid 79 and name HG2 ) ( resid 80 and name HA3 ) 5.03 3.43 0 !#SUP 5.64 ARG GLY assign ( resid 79 and name HG2 ) ( resid 80 and name HA2 ) 5.5 3.9 0 !#SUP 5.68 ARG GLY assign ( resid 79 and name HG3 ) ( resid 80 and name HN ) 4.88 3.28 0 !#SUP 5.56 ARG GLY assign ( resid 79 and name HN ) ( resid 80 and name HA2 ) 5.23 3.63 0 !#SUP 3.87 ARG GLY assign ( resid 79 and name HN ) ( resid 80 and name HA3 ) 5.5 3.9 0 !#SUP 3.65 ARG GLY assign ( resid 79 and name HN ) ( resid 93 and name HD* ) 5.5 3.9 0 !#SUP 8.26 ARG PHE assign ( resid 79 and name HN ) ( resid 93 and name HB3 ) 5.33 3.73 0 !#SUP 7.86 ARG PHE assign ( resid 79 and name HN ) ( resid 94 and name HN ) 3.7 2.1 0 !#SUP 10 ARG LYS assign ( resid 79 and name HN ) ( resid 94 and name HB* ) 5.12 3.52 0 !#SUP 4.62 ARG LYS assign ( resid 79 and name HN ) ( resid 94 and name HG3 ) 5.12 3.52 0 !#SUP 4.63 ARG LYS assign ( resid 79 and name HN ) ( resid 95 and name HA ) 5.5 3.9 0 !#SUP 3.47 ARG ARG assign ( resid 80 and name HA2 ) ( resid 81 and name HN ) 3.35 1.75 0 !#SUP 3.15 GLY THR assign ( resid 80 and name HA3 ) ( resid 81 and name HN ) 3.36 1.76 0 !#SUP 3.74 GLY THR assign ( resid 80 and name HA3 ) ( resid 81 and name HG2* ) 5.5 3.9 0 !#SUP 2.66 GLY THR assign ( resid 80 and name HN ) ( resid 81 and name HN ) 5.5 3.9 0 !#SUP 3.15 GLY THR assign ( resid 80 and name HA2 ) ( resid 92 and name HN ) 5.5 3.9 0 !#SUP 4.56 GLY LYS assign ( resid 80 and name HA3 ) ( resid 92 and name HG2 ) 5.5 3.9 0 !#SUP 0.99 GLY LYS assign ( resid 80 and name HA2 ) ( resid 93 and name HN ) 5.5 3.9 0 !#SUP 4.27 GLY PHE assign ( resid 80 and name HA2 ) ( resid 93 and name HD* ) 5.21 3.61 0 !#SUP 9.12 GLY PHE assign ( resid 80 and name HA2 ) ( resid 93 and name HB3 ) 5.5 3.9 0 !#SUP 6.33 GLY PHE assign ( resid 80 and name HA2 ) ( resid 93 and name HA ) 3.69 2.09 0 !#SUP 6.33 GLY PHE assign ( resid 80 and name HA3 ) ( resid 93 and name HD* ) 5.14 3.54 0 !#SUP 6.79 GLY PHE assign ( resid 80 and name HA3 ) ( resid 93 and name HA ) 3.71 2.11 0 !#SUP 6.36 GLY PHE assign ( resid 80 and name HN ) ( resid 93 and name HD* ) 4.51 2.91 0 !#SUP 2.49 GLY PHE assign ( resid 80 and name HA2 ) ( resid 94 and name HN ) 4.22 2.62 0 !#SUP 5.91 GLY LYS assign ( resid 80 and name HA3 ) ( resid 94 and name HN ) 5.05 3.45 0 !#SUP 5.37 GLY LYS assign ( resid 80 and name HA3 ) ( resid 94 and name HG3 ) 5.35 3.75 0 !#SUP 3.4 GLY LYS assign ( resid 81 and name HA ) ( resid 81 and name HG2* ) 3.76 2.16 0 !#SUP 3.61 THR THR assign ( resid 81 and name HN ) ( resid 81 and name HB ) 4.07 2.47 0 !#SUP 4.83 THR THR assign ( resid 81 and name HN ) ( resid 81 and name HG2* ) 4.1 2.5 0 !#SUP 5.07 THR THR assign ( resid 81 and name HA ) ( resid 82 and name HN ) 3.29 1.69 0 !#SUP 3.44 THR TRP assign ( resid 81 and name HB ) ( resid 82 and name HN ) 3.42 1.82 0 !#SUP 4.97 THR TRP assign ( resid 81 and name HB ) ( resid 82 and name HB* ) 5.5 3.9 0 !#SUP 3.83 THR TRP assign ( resid 81 and name HB ) ( resid 82 and name HA ) 4.95 3.35 0 !#SUP 3.54 THR TRP assign ( resid 81 and name HG2* ) ( resid 82 and name HN ) 3.9 2.3 0 !#SUP 3.76 THR TRP assign ( resid 81 and name HG2* ) ( resid 82 and name HD1 ) 3.94 2.34 0 !#SUP 1.14 THR TRP assign ( resid 81 and name HN ) ( resid 82 and name HN ) 4.81 3.21 0 !#SUP 3.44 THR TRP assign ( resid 81 and name HB ) ( resid 92 and name HN ) 5.5 3.9 0 !#SUP 1.74 THR LYS assign ( resid 81 and name HN ) ( resid 92 and name HA ) 5.47 3.87 0 !#SUP 3.29 THR LYS assign ( resid 81 and name HN ) ( resid 92 and name HN ) 3.84 2.24 0 !#SUP 7.59 THR LYS assign ( resid 81 and name HN ) ( resid 92 and name HB2 ) 4.45 2.85 0 !#SUP 5.95 THR LYS assign ( resid 81 and name HN ) ( resid 92 and name HB3 ) 5.36 3.76 0 !#SUP 3.16 THR LYS assign ( resid 81 and name HN ) ( resid 93 and name HA ) 3.84 2.24 0 !#SUP 5.59 THR PHE assign ( resid 81 and name HN ) ( resid 93 and name HB3 ) 5.46 3.86 0 !#SUP 4.45 THR PHE assign ( resid 81 and name HN ) ( resid 93 and name HD* ) 4.18 2.58 0 !#SUP 7.18 THR PHE assign ( resid 82 and name HA ) ( resid 82 and name HE3 ) 4.01 2.41 0 !#SUP 2.86 TRP TRP assign ( resid 82 and name HB* ) ( resid 82 and name HZ3 ) 5.5 3.9 0 !#SUP 2.86 TRP TRP assign ( resid 82 and name HN ) ( resid 82 and name HB* ) 3.71 2.11 0 !#SUP 4.45 TRP TRP assign ( resid 82 and name HA ) ( resid 83 and name HN ) 3.16 1.56 0 !#SUP 3.03 TRP SER assign ( resid 82 and name HB* ) ( resid 83 and name HN ) 4.59 2.99 0 !#SUP 3.84 TRP SER assign ( resid 82 and name HE3 ) ( resid 83 and name HN ) 4.22 2.62 0 !#SUP 3.61 TRP SER assign ( resid 82 and name HA ) ( resid 89 and name HD2* ) 5.5 3.9 0 !#SUP 3.41 TRP LEU assign ( resid 82 and name HA ) ( resid 89 and name HB3 ) 5.5 3.9 0 !#SUP 3.2 TRP LEU assign ( resid 82 and name HB* ) ( resid 89 and name HG ) 5.5 3.9 0 !#SUP 3.87 TRP LEU assign ( resid 82 and name HB* ) ( resid 89 and name HD1* ) 4.87 3.27 0 !#SUP 4.97 TRP LEU assign ( resid 82 and name HB* ) ( resid 89 and name HD2* ) 3.95 2.35 0 !#SUP 5.88 TRP LEU assign ( resid 82 and name HE3 ) ( resid 89 and name HB3 ) 5.07 3.47 0 !#SUP 8.17 TRP LEU assign ( resid 82 and name HE3 ) ( resid 89 and name HB2 ) 4.32 2.72 0 !#SUP 3.93 TRP LEU assign ( resid 82 and name HE3 ) ( resid 89 and name HG ) 4.38 2.78 0 !#SUP 5.21 TRP LEU assign ( resid 82 and name HE3 ) ( resid 89 and name HD1* ) 4.29 2.69 0 !#SUP 7.05 TRP LEU assign ( resid 82 and name HZ3 ) ( resid 89 and name HB3 ) 4.13 2.53 0 !#SUP 1.22 TRP LEU assign ( resid 82 and name HB* ) ( resid 90 and name HN ) 5.5 3.9 0 !#SUP 5.99 TRP ILE assign ( resid 82 and name HE3 ) ( resid 90 and name HN ) 4.8 3.2 0 !#SUP 9.45 TRP ILE assign ( resid 82 and name HE3 ) ( resid 90 and name HB ) 5.5 3.9 0 !#SUP 6.17 TRP ILE assign ( resid 82 and name HA ) ( resid 91 and name HA3 ) 4.11 2.51 0 !#SUP 4.28 TRP GLY assign ( resid 82 and name HA ) ( resid 91 and name HN ) 4.91 3.31 0 !#SUP 3.71 TRP GLY assign ( resid 82 and name HE3 ) ( resid 91 and name HN ) 5.5 3.9 0 !#SUP 4.31 TRP GLY assign ( resid 82 and name HE3 ) ( resid 91 and name HA3 ) 4.95 3.35 0 !#SUP 4 TRP GLY assign ( resid 82 and name HZ3 ) ( resid 91 and name HN ) 4.6 3 0 !#SUP 2.31 TRP GLY assign ( resid 82 and name HZ3 ) ( resid 91 and name HA3 ) 5.3 3.7 0 !#SUP 2.55 TRP GLY assign ( resid 82 and name HA ) ( resid 92 and name HN ) 4.19 2.59 0 !#SUP 5.49 TRP LYS assign ( resid 82 and name HA ) ( resid 92 and name HB2 ) 5.5 3.9 0 !#SUP 2.84 TRP LYS assign ( resid 82 and name HA ) ( resid 104 and name HG2* ) 5.5 3.9 0 !#SUP 0.7 TRP THR assign ( resid 82 and name HH2 ) ( resid 104 and name HG2* ) 3.55 1.95 0 !#SUP 1.5 TRP THR assign ( resid 82 and name HZ2 ) ( resid 104 and name HG2* ) 4.01 2.41 0 !#SUP 1.4 TRP THR assign ( resid 82 and name HZ3 ) ( resid 105 and name HA ) 4.59 2.99 0 !#SUP 1.77 TRP VAL assign ( resid 82 and name HZ3 ) ( resid 105 and name HG1* ) 4.09 2.49 0 !#SUP 1.91 TRP VAL assign ( resid 82 and name HE3 ) ( resid 106 and name HD2 ) 5.5 3.9 0 !#SUP 0.75 TRP ARG assign ( resid 82 and name HH2 ) ( resid 106 and name HN ) 5.5 3.9 0 !#SUP 2.74 TRP ARG assign ( resid 82 and name HH2 ) ( resid 106 and name HD2 ) 5.5 3.9 0 !#SUP 3.25 TRP ARG assign ( resid 82 and name HH2 ) ( resid 106 and name HG3 ) 4.16 2.56 0 !#SUP 1.74 TRP ARG assign ( resid 82 and name HH2 ) ( resid 106 and name HB* ) 4.52 2.92 0 !#SUP 2.25 TRP ARG assign ( resid 82 and name HZ3 ) ( resid 106 and name HN ) 4.48 2.88 0 !#SUP 3.66 TRP ARG assign ( resid 82 and name HZ3 ) ( resid 106 and name HG2 ) 5.5 3.9 0 !#SUP 1.17 TRP ARG assign ( resid 83 and name HN ) ( resid 83 and name HB2 ) 4.2 2.6 0 !#SUP 3.36 SER SER assign ( resid 83 and name HN ) ( resid 83 and name HB3 ) 3.73 2.13 0 !#SUP 3.03 SER SER assign ( resid 83 and name HB2 ) ( resid 85 and name HG* ) 4.84 3.24 0 !#SUP 1.16 SER GLU assign ( resid 83 and name HB3 ) ( resid 85 and name HG* ) 5.31 3.71 0 !#SUP 2.51 SER GLU assign ( resid 83 and name HB3 ) ( resid 85 and name HA ) 5.5 3.9 0 !#SUP 0.75 SER GLU assign ( resid 83 and name HA ) ( resid 89 and name HD2* ) 4.92 3.32 0 !#SUP 5.02 SER LEU assign ( resid 83 and name HN ) ( resid 89 and name HA ) 4.66 3.06 0 !#SUP 6.13 SER LEU assign ( resid 83 and name HN ) ( resid 89 and name HD1* ) 5.5 3.9 0 !#SUP 7.82 SER LEU assign ( resid 83 and name HN ) ( resid 89 and name HB3 ) 5.5 3.9 0 !#SUP 6.99 SER LEU assign ( resid 83 and name HN ) ( resid 89 and name HD2* ) 4.64 3.04 0 !#SUP 10 SER LEU assign ( resid 83 and name HA ) ( resid 90 and name HB ) 4.72 3.12 0 !#SUP 3.86 SER ILE assign ( resid 83 and name HB2 ) ( resid 90 and name HN ) 5.26 3.66 0 !#SUP 5.65 SER ILE assign ( resid 83 and name HB2 ) ( resid 90 and name HB ) 3.99 2.39 0 !#SUP 5.49 SER ILE assign ( resid 83 and name HB2 ) ( resid 90 and name HG2* ) 5.09 3.49 0 !#SUP 2.89 SER ILE assign ( resid 83 and name HB3 ) ( resid 90 and name HN ) 5.05 3.45 0 !#SUP 6.7 SER ILE assign ( resid 83 and name HB3 ) ( resid 90 and name HB ) 3.86 2.26 0 !#SUP 6.54 SER ILE assign ( resid 83 and name HB3 ) ( resid 90 and name HG13 ) 5.5 3.9 0 !#SUP 2.97 SER ILE assign ( resid 83 and name HB3 ) ( resid 90 and name HG12 ) 5.37 3.77 0 !#SUP 2.25 SER ILE assign ( resid 83 and name HN ) ( resid 90 and name HN ) 3.68 2.08 0 !#SUP 10 SER ILE assign ( resid 83 and name HN ) ( resid 90 and name HG2* ) 4.88 3.28 0 !#SUP 4.42 SER ILE assign ( resid 83 and name HN ) ( resid 90 and name HB ) 4.35 2.75 0 !#SUP 8.77 SER ILE assign ( resid 83 and name HN ) ( resid 92 and name HN ) 5.13 3.53 0 !#SUP 1.98 SER LYS assign ( resid 84 and name HA ) ( resid 84 and name HD1* ) 3.76 2.16 0 !#SUP 4.15 LEU LEU assign ( resid 84 and name HB2 ) ( resid 84 and name HD2* ) 3.18 1.58 0 !#SUP 3.9 LEU LEU assign ( resid 84 and name HB2 ) ( resid 84 and name HD1* ) 3.82 2.22 0 !#SUP 3.85 LEU LEU assign ( resid 84 and name HB3 ) ( resid 84 and name HD2* ) 3.2 1.6 0 !#SUP 4.44 LEU LEU assign ( resid 84 and name HB3 ) ( resid 84 and name HD1* ) 3.43 1.83 0 !#SUP 4.37 LEU LEU assign ( resid 84 and name HN ) ( resid 84 and name HB2 ) 3.33 1.73 0 !#SUP 3.63 LEU LEU assign ( resid 84 and name HN ) ( resid 84 and name HB3 ) 3.49 1.89 0 !#SUP 3.68 LEU LEU assign ( resid 84 and name HN ) ( resid 84 and name HD2* ) 3.87 2.27 0 !#SUP 3.53 LEU LEU assign ( resid 84 and name HA ) ( resid 85 and name HG* ) 4.5 2.9 0 !#SUP 5.11 LEU GLU assign ( resid 84 and name HA ) ( resid 85 and name HB3 ) 4.77 3.17 0 !#SUP 4.36 LEU GLU assign ( resid 84 and name HA ) ( resid 85 and name HN ) 2.91 1.31 0 !#SUP 5.68 LEU GLU assign ( resid 84 and name HB3 ) ( resid 85 and name HN ) 3.97 2.37 0 !#SUP 5.21 LEU GLU assign ( resid 84 and name HD1* ) ( resid 85 and name HN ) 3.32 1.72 0 !#SUP 4.9 LEU GLU assign ( resid 84 and name HD1* ) ( resid 86 and name HN ) 5.5 3.9 0 !#SUP 3.42 LEU GLY assign ( resid 84 and name HD1* ) ( resid 87 and name HD21 ) 5.5 3.9 0 !#SUP 1.66 LEU ASN assign ( resid 84 and name HD1* ) ( resid 87 and name HB2 ) 5.05 3.45 0 !#SUP 2.49 LEU ASN assign ( resid 84 and name HD1* ) ( resid 87 and name HN ) 4.37 2.77 0 !#SUP 2.49 LEU ASN assign ( resid 84 and name HA ) ( resid 88 and name HN ) 5.42 3.82 0 !#SUP 4.31 LEU LYS assign ( resid 84 and name HD1* ) ( resid 88 and name HN ) 4.09 2.49 0 !#SUP 6.49 LEU LYS assign ( resid 84 and name HD2* ) ( resid 88 and name HN ) 4.89 3.29 0 !#SUP 2.81 LEU LYS assign ( resid 84 and name HA ) ( resid 89 and name HD2* ) 4.18 2.58 0 !#SUP 9.63 LEU LEU assign ( resid 84 and name HA ) ( resid 89 and name HN ) 5.48 3.88 0 !#SUP 5.03 LEU LEU assign ( resid 84 and name HA ) ( resid 89 and name HA ) 3.75 2.15 0 !#SUP 6.54 LEU LEU assign ( resid 84 and name HB2 ) ( resid 89 and name HD2* ) 5.33 3.73 0 !#SUP 4.59 LEU LEU assign ( resid 84 and name HB3 ) ( resid 89 and name HD2* ) 5.12 3.52 0 !#SUP 5.07 LEU LEU assign ( resid 84 and name HD1* ) ( resid 89 and name HD2* ) 3.95 2.35 0 !#SUP 9.53 LEU LEU assign ( resid 84 and name HD1* ) ( resid 89 and name HD1* ) 4.03 2.43 0 !#SUP 6.07 LEU LEU assign ( resid 84 and name HD1* ) ( resid 89 and name HA ) 3.93 2.33 0 !#SUP 5.73 LEU LEU assign ( resid 84 and name HD2* ) ( resid 89 and name HD2* ) 4.52 2.92 0 !#SUP 7.43 LEU LEU assign ( resid 84 and name HD2* ) ( resid 89 and name HD1* ) 4.86 3.26 0 !#SUP 3.98 LEU LEU assign ( resid 84 and name HN ) ( resid 89 and name HD1* ) 5.5 3.9 0 !#SUP 3.97 LEU LEU assign ( resid 84 and name HN ) ( resid 89 and name HD2* ) 4.2 2.6 0 !#SUP 7.9 LEU LEU assign ( resid 84 and name HA ) ( resid 90 and name HN ) 4.32 2.72 0 !#SUP 9.41 LEU ILE assign ( resid 84 and name HA ) ( resid 90 and name HG13 ) 5.5 3.9 0 !#SUP 6.14 LEU ILE assign ( resid 84 and name HD1* ) ( resid 90 and name HN ) 4.79 3.19 0 !#SUP 7.05 LEU ILE assign ( resid 84 and name HN ) ( resid 90 and name HN ) 5.5 3.9 0 !#SUP 6.39 LEU ILE assign ( resid 85 and name HA ) ( resid 85 and name HG* ) 3.19 1.59 0 !#SUP 5.18 GLU GLU assign ( resid 85 and name HB2 ) ( resid 85 and name HG* ) 2.43 0.83 0 !#SUP 4.54 GLU GLU assign ( resid 85 and name HB3 ) ( resid 85 and name HG* ) 2.67 1.07 0 !#SUP 4.87 GLU GLU assign ( resid 85 and name HN ) ( resid 85 and name HB3 ) 3.51 1.91 0 !#SUP 5.26 GLU GLU assign ( resid 85 and name HN ) ( resid 85 and name HG* ) 3.55 1.95 0 !#SUP 5.3 GLU GLU assign ( resid 85 and name HN ) ( resid 85 and name HB2 ) 3.7 2.1 0 !#SUP 4.72 GLU GLU assign ( resid 85 and name HA ) ( resid 86 and name HN ) 2.87 1.27 0 !#SUP 5.61 GLU GLY assign ( resid 85 and name HA ) ( resid 86 and name HA2 ) 5.23 3.63 0 !#SUP 3.44 GLU GLY assign ( resid 85 and name HA ) ( resid 86 and name HA3 ) 5.12 3.52 0 !#SUP 3.44 GLU GLY assign ( resid 85 and name HB2 ) ( resid 86 and name HN ) 4.08 2.48 0 !#SUP 4.74 GLU GLY assign ( resid 85 and name HB3 ) ( resid 86 and name HN ) 4.7 3.1 0 !#SUP 4.74 GLU GLY assign ( resid 85 and name HG* ) ( resid 86 and name HN ) 4.11 2.51 0 !#SUP 4.6 GLU GLY assign ( resid 85 and name HN ) ( resid 88 and name HN ) 3.84 2.24 0 !#SUP 6.74 GLU LYS assign ( resid 85 and name HN ) ( resid 88 and name HB3 ) 5.5 3.9 0 !#SUP 2.23 GLU LYS assign ( resid 85 and name HN ) ( resid 89 and name HD2* ) 5.3 3.7 0 !#SUP 10 GLU LEU assign ( resid 85 and name HN ) ( resid 89 and name HA ) 4.1 2.5 0 !#SUP 8.35 GLU LEU assign ( resid 85 and name HN ) ( resid 89 and name HD1* ) 5.5 3.9 0 !#SUP 7.38 GLU LEU assign ( resid 85 and name HN ) ( resid 89 and name HN ) 5.5 3.9 0 !#SUP 7.18 GLU LEU assign ( resid 85 and name HB2 ) ( resid 90 and name HD1* ) 4.62 3.02 0 !#SUP 2.03 GLU ILE assign ( resid 85 and name HB3 ) ( resid 90 and name HG13 ) 4.15 2.55 0 !#SUP 4.36 GLU ILE assign ( resid 85 and name HB3 ) ( resid 90 and name HG12 ) 4.41 2.81 0 !#SUP 3.59 GLU ILE assign ( resid 85 and name HG* ) ( resid 90 and name HN ) 5.5 3.9 0 !#SUP 7.54 GLU ILE assign ( resid 85 and name HG* ) ( resid 90 and name HB ) 4.86 3.26 0 !#SUP 5.81 GLU ILE assign ( resid 85 and name HG* ) ( resid 90 and name HG12 ) 3.92 2.32 0 !#SUP 7.61 GLU ILE assign ( resid 85 and name HG* ) ( resid 90 and name HG13 ) 4.76 3.16 0 !#SUP 8.53 GLU ILE assign ( resid 85 and name HG* ) ( resid 90 and name HG2* ) 4.92 3.32 0 !#SUP 3.32 GLU ILE assign ( resid 85 and name HG* ) ( resid 90 and name HD1* ) 4.52 2.92 0 !#SUP 5.04 GLU ILE assign ( resid 85 and name HN ) ( resid 90 and name HN ) 4.61 3.01 0 !#SUP 10 GLU ILE assign ( resid 85 and name HN ) ( resid 90 and name HG13 ) 4.51 2.91 0 !#SUP 8.14 GLU ILE assign ( resid 85 and name HN ) ( resid 90 and name HG12 ) 4.98 3.38 0 !#SUP 6.81 GLU ILE assign ( resid 86 and name HA2 ) ( resid 87 and name HN ) 3.12 1.52 0 !#SUP 5.43 GLY ASN assign ( resid 86 and name HA2 ) ( resid 87 and name HB3 ) 5.08 3.48 0 !#SUP 4.49 GLY ASN assign ( resid 86 and name HA3 ) ( resid 87 and name HN ) 3.54 1.94 0 !#SUP 4.86 GLY ASN assign ( resid 86 and name HN ) ( resid 87 and name HN ) 4.11 2.51 0 !#SUP 4.86 GLY ASN assign ( resid 86 and name HA2 ) ( resid 88 and name HN ) 4.61 2.51 0 !#SUP 5.14 GLY LYS ! 0.5 assign ( resid 86 and name HA3 ) ( resid 88 and name HN ) 5.08 3.48 0 !#SUP 4.3 GLY LYS assign ( resid 86 and name HN ) ( resid 88 and name HN ) 4.94 3.34 0 !#SUP 4.3 GLY LYS assign ( resid 87 and name HA ) ( resid 87 and name HD22 ) 5.5 3.9 0 !#SUP 4.44 ASN ASN assign ( resid 87 and name HA ) ( resid 87 and name HD21 ) 4.17 2.57 0 !#SUP 3.95 ASN ASN assign ( resid 87 and name HB2 ) ( resid 87 and name HD22 ) 3.8 2.2 0 !#SUP 4.54 ASN ASN assign ( resid 87 and name HB3 ) ( resid 87 and name HD22 ) 3.82 2.22 0 !#SUP 4.62 ASN ASN assign ( resid 87 and name HN ) ( resid 87 and name HB3 ) 3.75 2.15 0 !#SUP 6.65 ASN ASN assign ( resid 87 and name HN ) ( resid 87 and name HD22 ) 5.5 3.9 0 !#SUP 5.49 ASN ASN assign ( resid 87 and name HN ) ( resid 87 and name HB2 ) 3.68 2.08 0 !#SUP 6.08 ASN ASN assign ( resid 87 and name HB2 ) ( resid 88 and name HN ) 4.1 2.5 0 !#SUP 6.26 ASN LYS assign ( resid 87 and name HB3 ) ( resid 88 and name HN ) 4.84 3.24 0 !#SUP 6.78 ASN LYS assign ( resid 87 and name HN ) ( resid 88 and name HB3 ) 5.02 3.42 0 !#SUP 3.59 ASN LYS assign ( resid 87 and name HN ) ( resid 88 and name HN ) 3.12 1.52 0 !#SUP 8.15 ASN LYS assign ( resid 88 and name HN ) ( resid 88 and name HB3 ) 3.3 1.7 0 !#SUP 5.27 LYS LYS assign ( resid 88 and name HN ) ( resid 88 and name HB2 ) 3.64 2.04 0 !#SUP 5.05 LYS LYS assign ( resid 88 and name HA ) ( resid 89 and name HN ) 3.07 1.47 0 !#SUP 6.33 LYS LEU assign ( resid 88 and name HB2 ) ( resid 89 and name HN ) 4.23 2.63 0 !#SUP 5.85 LYS LEU assign ( resid 88 and name HB3 ) ( resid 89 and name HN ) 4.36 2.76 0 !#SUP 5.75 LYS LEU assign ( resid 88 and name HN ) ( resid 89 and name HN ) 4.71 3.11 0 !#SUP 6.23 LYS LEU assign ( resid 88 and name HN ) ( resid 90 and name HD1* ) 5.3 3.7 0 !#SUP 2.89 LYS ILE assign ( resid 89 and name HA ) ( resid 89 and name HG ) 4.25 2.65 0 !#SUP 6.58 LEU LEU assign ( resid 89 and name HA ) ( resid 89 and name HD1* ) 4.05 2.45 0 !#SUP 7.04 LEU LEU assign ( resid 89 and name HA ) ( resid 89 and name HD2* ) 3.5 1.9 0 !#SUP 7.19 LEU LEU assign ( resid 89 and name HB2 ) ( resid 89 and name HD2* ) 3.67 2.07 0 !#SUP 6.18 LEU LEU assign ( resid 89 and name HN ) ( resid 89 and name HB3 ) 3.95 2.35 0 !#SUP 7.19 LEU LEU assign ( resid 89 and name HN ) ( resid 89 and name HB2 ) 4.02 2.42 0 !#SUP 6.99 LEU LEU assign ( resid 89 and name HN ) ( resid 89 and name HD2* ) 4.8 3.2 0 !#SUP 7.95 LEU LEU assign ( resid 89 and name HN ) ( resid 89 and name HD1* ) 4.45 2.85 0 !#SUP 7.4 LEU LEU assign ( resid 89 and name HA ) ( resid 90 and name HB ) 4.99 3.39 0 !#SUP 6.8 LEU ILE assign ( resid 89 and name HA ) ( resid 90 and name HG13 ) 5.23 3.63 0 !#SUP 5.76 LEU ILE assign ( resid 89 and name HA ) ( resid 90 and name HN ) 3.07 1.47 0 !#SUP 10 LEU ILE assign ( resid 89 and name HA ) ( resid 90 and name HD1* ) 4.96 3.36 0 !#SUP 7.56 LEU ILE assign ( resid 89 and name HB2 ) ( resid 90 and name HN ) 5 3.4 0 !#SUP 8.25 LEU ILE assign ( resid 89 and name HB3 ) ( resid 90 and name HN ) 5.08 3.48 0 !#SUP 8.58 LEU ILE assign ( resid 89 and name HD1* ) ( resid 90 and name HN ) 4.94 3.34 0 !#SUP 8.34 LEU ILE assign ( resid 89 and name HD2* ) ( resid 90 and name HN ) 4.18 2.58 0 !#SUP 8.34 LEU ILE assign ( resid 89 and name HG ) ( resid 90 and name HN ) 4.75 3.15 0 !#SUP 8.21 LEU ILE assign ( resid 89 and name HN ) ( resid 90 and name HN ) 5.13 3.53 0 !#SUP 8.25 LEU ILE assign ( resid 89 and name HN ) ( resid 90 and name HD1* ) 5.48 3.88 0 !#SUP 7.81 LEU ILE assign ( resid 89 and name HN ) ( resid 105 and name HA ) 5.5 3.9 0 !#SUP 4.38 LEU VAL assign ( resid 89 and name HN ) ( resid 105 and name HG1* ) 4.53 2.93 0 !#SUP 4.32 LEU VAL assign ( resid 89 and name HB2 ) ( resid 106 and name HN ) 4.72 3.12 0 !#SUP 6.57 LEU ARG assign ( resid 89 and name HB2 ) ( resid 106 and name HB* ) 4.02 2.42 0 !#SUP 4.97 LEU ARG assign ( resid 89 and name HB2 ) ( resid 106 and name HD3 ) 5.5 3.9 0 !#SUP 4.23 LEU ARG assign ( resid 89 and name HB3 ) ( resid 106 and name HN ) 3.96 2.36 0 !#SUP 7.56 LEU ARG assign ( resid 89 and name HB3 ) ( resid 106 and name HB* ) 3.74 2.14 0 !#SUP 6 LEU ARG assign ( resid 89 and name HB3 ) ( resid 106 and name HD3 ) 5.5 3.9 0 !#SUP 4.34 LEU ARG assign ( resid 89 and name HD1* ) ( resid 106 and name HN ) 5.5 3.9 0 !#SUP 7.28 LEU ARG assign ( resid 89 and name HD1* ) ( resid 106 and name HB* ) 5.14 3.54 0 !#SUP 6 LEU ARG assign ( resid 89 and name HD1* ) ( resid 106 and name HD2 ) 4.21 2.61 0 !#SUP 1.74 LEU ARG assign ( resid 89 and name HD1* ) ( resid 106 and name HD3 ) 4.28 2.68 0 !#SUP 5.3 LEU ARG assign ( resid 89 and name HD2* ) ( resid 106 and name HN ) 5.23 3.63 0 !#SUP 4.97 LEU ARG assign ( resid 89 and name HG ) ( resid 106 and name HN ) 5.5 3.9 0 !#SUP 4.44 LEU ARG assign ( resid 89 and name HN ) ( resid 106 and name HN ) 4.01 2.41 0 !#SUP 8.47 LEU ARG assign ( resid 89 and name HN ) ( resid 106 and name HB* ) 5.12 3.52 0 !#SUP 5.29 LEU ARG assign ( resid 90 and name HA ) ( resid 90 and name HG2* ) 3.42 1.82 0 !#SUP 5.27 ILE ILE assign ( resid 90 and name HA ) ( resid 90 and name HD1* ) 3.56 1.96 0 !#SUP 5.94 ILE ILE assign ( resid 90 and name HG2* ) ( resid 90 and name HG12 ) 3.46 1.86 0 !#SUP 4.63 ILE ILE assign ( resid 90 and name HN ) ( resid 90 and name HG12 ) 3.96 2.36 0 !#SUP 8.4 ILE ILE assign ( resid 90 and name HN ) ( resid 90 and name HD1* ) 3.91 2.31 0 !#SUP 8.52 ILE ILE assign ( resid 90 and name HN ) ( resid 90 and name HB ) 3.33 1.73 0 !#SUP 8.76 ILE ILE assign ( resid 90 and name HN ) ( resid 90 and name HG13 ) 3.93 2.33 0 !#SUP 8.08 ILE ILE assign ( resid 90 and name HN ) ( resid 90 and name HG2* ) 4.05 2.45 0 !#SUP 7.4 ILE ILE assign ( resid 90 and name HA ) ( resid 91 and name HN ) 3.21 1.61 0 !#SUP 5.21 ILE GLY assign ( resid 90 and name HB ) ( resid 91 and name HN ) 4.62 3.02 0 !#SUP 5.21 ILE GLY assign ( resid 90 and name HD1* ) ( resid 91 and name HN ) 4.3 2.7 0 !#SUP 4.54 ILE GLY assign ( resid 90 and name HG12 ) ( resid 91 and name HN ) 5.5 3.9 0 !#SUP 4.89 ILE GLY assign ( resid 90 and name HG2* ) ( resid 91 and name HN ) 3.75 2.15 0 !#SUP 4.08 ILE GLY assign ( resid 90 and name HA ) ( resid 105 and name HA ) 3.86 2.26 0 !#SUP 5.25 ILE VAL assign ( resid 90 and name HA ) ( resid 105 and name HG1* ) 4.02 2.42 0 !#SUP 5.21 ILE VAL assign ( resid 90 and name HD1* ) ( resid 105 and name HA ) 4.76 3.16 0 !#SUP 3.86 ILE VAL assign ( resid 90 and name HN ) ( resid 105 and name HG1* ) 4.78 3.18 0 !#SUP 1.67 ILE VAL assign ( resid 90 and name HA ) ( resid 106 and name HN ) 4.82 3.22 0 !#SUP 5.57 ILE ARG assign ( resid 90 and name HD1* ) ( resid 106 and name HN ) 4.92 3.32 0 !#SUP 4.61 ILE ARG assign ( resid 91 and name HA2 ) ( resid 92 and name HN ) 3.25 1.65 0 !#SUP 3.26 GLY LYS assign ( resid 91 and name HN ) ( resid 92 and name HN ) 4.84 3.24 0 !#SUP 3.76 GLY LYS assign ( resid 91 and name HA3 ) ( resid 93 and name HD* ) 5.45 3.85 0 !#SUP 1 GLY PHE assign ( resid 91 and name HA2 ) ( resid 104 and name HG2* ) 4.25 2.65 0 !#SUP 2.83 GLY THR assign ( resid 91 and name HA3 ) ( resid 104 and name HN ) 4.45 2.85 0 !#SUP 3.91 GLY THR assign ( resid 91 and name HA3 ) ( resid 104 and name HG2* ) 3.9 2.3 0 !#SUP 3.07 GLY THR assign ( resid 91 and name HN ) ( resid 104 and name HA ) 5.5 3.9 0 !#SUP 4.24 GLY THR assign ( resid 91 and name HN ) ( resid 104 and name HB ) 5.5 3.9 0 !#SUP 3.15 GLY THR assign ( resid 91 and name HN ) ( resid 104 and name HN ) 4.14 2.54 0 !#SUP 7.48 GLY THR assign ( resid 91 and name HN ) ( resid 104 and name HG2* ) 4 2.4 0 !#SUP 6.14 GLY THR assign ( resid 91 and name HN ) ( resid 105 and name HA ) 4.2 2.6 0 !#SUP 6.26 GLY VAL assign ( resid 91 and name HN ) ( resid 105 and name HG2* ) 4.56 2.96 0 !#SUP 5.35 GLY VAL assign ( resid 92 and name HN ) ( resid 92 and name HB2 ) 3.74 2.14 0 !#SUP 6.51 LYS LYS assign ( resid 92 and name HN ) ( resid 92 and name HB3 ) 3.69 2.09 0 !#SUP 6.76 LYS LYS assign ( resid 92 and name HN ) ( resid 92 and name HG3 ) 4.79 3.19 0 !#SUP 6.51 LYS LYS assign ( resid 92 and name HN ) ( resid 92 and name HG2 ) 4.82 3.22 0 !#SUP 5.72 LYS LYS assign ( resid 92 and name HA ) ( resid 93 and name HN ) 3.19 1.59 0 !#SUP 6.36 LYS PHE assign ( resid 92 and name HB2 ) ( resid 93 and name HN ) 4.45 2.85 0 !#SUP 6.58 LYS PHE assign ( resid 92 and name HB3 ) ( resid 93 and name HN ) 4.51 2.91 0 !#SUP 6.49 LYS PHE assign ( resid 92 and name HG2 ) ( resid 93 and name HA ) 5.5 3.9 0 !#SUP 3.15 LYS PHE assign ( resid 92 and name HG2 ) ( resid 93 and name HN ) 4.86 3.26 0 !#SUP 7.11 LYS PHE assign ( resid 92 and name HG3 ) ( resid 93 and name HN ) 4.89 3.29 0 !#SUP 6.58 LYS PHE assign ( resid 92 and name HN ) ( resid 93 and name HN ) 4.49 2.89 0 !#SUP 7.1 LYS PHE assign ( resid 92 and name HN ) ( resid 93 and name HD* ) 5.17 3.57 0 !#SUP 4.72 LYS PHE assign ( resid 92 and name HA ) ( resid 102 and name HD2* ) 4.99 3.39 0 !#SUP 2.51 LYS LEU assign ( resid 92 and name HA ) ( resid 103 and name HN ) 5.5 3.9 0 !#SUP 2.23 LYS ASN assign ( resid 92 and name HG2 ) ( resid 103 and name HD21 ) 5.5 3.9 0 !#SUP 0.77 LYS ASN assign ( resid 92 and name HA ) ( resid 104 and name HN ) 4.18 2.58 0 !#SUP 4.52 LYS THR assign ( resid 93 and name HA ) ( resid 93 and name HD* ) 4.07 2.47 0 !#SUP 5.31 PHE PHE assign ( resid 93 and name HN ) ( resid 93 and name HB2 ) 3.99 2.39 0 !#SUP 6.35 PHE PHE assign ( resid 93 and name HN ) ( resid 93 and name HD* ) 4.02 2.42 0 !#SUP 6.95 PHE PHE assign ( resid 93 and name HA ) ( resid 94 and name HN ) 3.14 1.54 0 !#SUP 6.33 PHE LYS assign ( resid 93 and name HA ) ( resid 94 and name HG3 ) 5.5 3.9 0 !#SUP 3.57 PHE LYS assign ( resid 93 and name HA ) ( resid 94 and name HG2 ) 5.5 3.9 0 !#SUP 4.18 PHE LYS assign ( resid 93 and name HB2 ) ( resid 94 and name HN ) 4.1 2.5 0 !#SUP 5.43 PHE LYS assign ( resid 93 and name HB3 ) ( resid 94 and name HN ) 3.85 2.25 0 !#SUP 5.43 PHE LYS assign ( resid 93 and name HD* ) ( resid 94 and name HN ) 4.06 2.46 0 !#SUP 5.43 PHE LYS assign ( resid 93 and name HN ) ( resid 94 and name HN ) 5.36 3.76 0 !#SUP 5.43 PHE LYS assign ( resid 93 and name HB2 ) ( resid 102 and name HN ) 4.99 3.39 0 !#SUP 3.91 PHE LEU assign ( resid 93 and name HB2 ) ( resid 102 and name HB3 ) 4.82 3.22 0 !#SUP 4 PHE LEU assign ( resid 93 and name HB2 ) ( resid 102 and name HB2 ) 4.74 3.14 0 !#SUP 4 PHE LEU assign ( resid 93 and name HB3 ) ( resid 102 and name HB2 ) 4.86 3.26 0 !#SUP 3.99 PHE LEU assign ( resid 93 and name HB3 ) ( resid 102 and name HD2* ) 5.5 3.9 0 !#SUP 3.27 PHE LEU assign ( resid 93 and name HB3 ) ( resid 102 and name HB3 ) 4.82 3.22 0 !#SUP 4 PHE LEU assign ( resid 93 and name HN ) ( resid 102 and name HN ) 4.39 2.79 0 !#SUP 5.39 PHE LEU assign ( resid 93 and name HN ) ( resid 102 and name HB2 ) 4.89 3.29 0 !#SUP 5.91 PHE LEU assign ( resid 93 and name HN ) ( resid 102 and name HB3 ) 5.33 3.73 0 !#SUP 5.49 PHE LEU assign ( resid 93 and name HN ) ( resid 102 and name HD2* ) 5.15 3.55 0 !#SUP 4.97 PHE LEU assign ( resid 93 and name HD* ) ( resid 103 and name HA ) 5.5 3.9 0 !#SUP 2.19 PHE ASN assign ( resid 93 and name HN ) ( resid 103 and name HA ) 4.33 2.73 0 !#SUP 5.75 PHE ASN assign ( resid 93 and name HD* ) ( resid 104 and name HG2* ) 3.77 2.17 0 !#SUP 1.96 PHE THR assign ( resid 93 and name HN ) ( resid 104 and name HN ) 5.17 3.57 0 !#SUP 3.84 PHE THR assign ( resid 94 and name HA ) ( resid 94 and name HG2 ) 3.8 2.2 0 !#SUP 3.69 LYS LYS assign ( resid 94 and name HB* ) ( resid 94 and name HG3 ) 2.58 0.98 0 !#SUP 3.67 LYS LYS assign ( resid 94 and name HN ) ( resid 94 and name HB* ) 3.33 1.73 0 !#SUP 5 LYS LYS assign ( resid 94 and name HN ) ( resid 94 and name HG2 ) 4.21 2.61 0 !#SUP 5.35 LYS LYS assign ( resid 94 and name HA ) ( resid 95 and name HN ) 3.07 1.47 0 !#SUP 5.42 LYS ARG assign ( resid 94 and name HA ) ( resid 95 and name HG3 ) 5.22 3.62 0 !#SUP 4.16 LYS ARG assign ( resid 94 and name HB* ) ( resid 95 and name HN ) 3.63 2.03 0 !#SUP 5.21 LYS ARG assign ( resid 94 and name HG2 ) ( resid 95 and name HN ) 4.94 3.34 0 !#SUP 5.07 LYS ARG assign ( resid 94 and name HB* ) ( resid 99 and name HN ) 4.66 3.06 0 !#SUP 3.25 LYS GLY assign ( resid 94 and name HB* ) ( resid 99 and name HA2 ) 4.23 2.63 0 !#SUP 4.4 LYS GLY assign ( resid 94 and name HB* ) ( resid 99 and name HA3 ) 4.24 2.64 0 !#SUP 3.15 LYS GLY assign ( resid 94 and name HG2 ) ( resid 99 and name HA3 ) 5.5 3.9 0 !#SUP 2.81 LYS GLY assign ( resid 94 and name HA ) ( resid 100 and name HN ) 5.13 3.53 0 !#SUP 4.28 LYS ASN assign ( resid 94 and name HA ) ( resid 101 and name HG2 ) 5.44 3.84 0 !#SUP 4.31 LYS GLU assign ( resid 94 and name HA ) ( resid 101 and name HA ) 3.2 1.6 0 !#SUP 4.31 LYS GLU assign ( resid 94 and name HB* ) ( resid 101 and name HN ) 5.35 3.75 0 !#SUP 3.07 LYS GLU assign ( resid 94 and name HB* ) ( resid 101 and name HG2 ) 5.5 3.9 0 !#SUP 4 LYS GLU assign ( resid 94 and name HB* ) ( resid 101 and name HA ) 4.06 2.46 0 !#SUP 3.96 LYS GLU assign ( resid 94 and name HG2 ) ( resid 101 and name HN ) 5.26 3.66 0 !#SUP 4.4 LYS GLU assign ( resid 94 and name HG2 ) ( resid 101 and name HG2 ) 4.69 3.09 0 !#SUP 5.12 LYS GLU assign ( resid 94 and name HG2 ) ( resid 101 and name HA ) 4 2.4 0 !#SUP 5.12 LYS GLU assign ( resid 94 and name HA ) ( resid 102 and name HN ) 3.28 1.68 0 !#SUP 3.76 LYS LEU assign ( resid 94 and name HG2 ) ( resid 102 and name HN ) 5.5 3.9 0 !#SUP 4.68 LYS LEU assign ( resid 95 and name HA ) ( resid 95 and name HD2 ) 4.92 3.32 0 !#SUP 5.81 ARG ARG assign ( resid 95 and name HA ) ( resid 95 and name HG2 ) 4 2.4 0 !#SUP 6.36 ARG ARG assign ( resid 95 and name HB3 ) ( resid 95 and name HE ) 3.77 2.17 0 !#SUP 5.85 ARG ARG assign ( resid 95 and name HN ) ( resid 95 and name HD2 ) 5.38 3.78 0 !#SUP 7.04 ARG ARG assign ( resid 95 and name HN ) ( resid 95 and name HB2 ) 3.77 2.17 0 !#SUP 6.09 ARG ARG assign ( resid 95 and name HN ) ( resid 95 and name HG3 ) 4.13 2.53 0 !#SUP 6.29 ARG ARG assign ( resid 95 and name HN ) ( resid 95 and name HB3 ) 4.1 2.5 0 !#SUP 7.3 ARG ARG assign ( resid 95 and name HN ) ( resid 95 and name HG2 ) 5.04 3.44 0 !#SUP 7.33 ARG ARG assign ( resid 95 and name HA ) ( resid 96 and name HN ) 3.36 1.76 0 !#SUP 5.84 ARG THR assign ( resid 95 and name HB2 ) ( resid 96 and name HN ) 4.99 3.39 0 !#SUP 7.64 ARG THR assign ( resid 95 and name HB3 ) ( resid 96 and name HN ) 4.51 2.91 0 !#SUP 7.88 ARG THR assign ( resid 95 and name HG2 ) ( resid 96 and name HN ) 5.5 3.9 0 !#SUP 7.32 ARG THR assign ( resid 95 and name HA ) ( resid 97 and name HN ) 4.32 2.72 0 !#SUP 3.95 ARG ASP assign ( resid 95 and name HB2 ) ( resid 97 and name HN ) 3.85 2.25 0 !#SUP 6.08 ARG ASP assign ( resid 95 and name HB3 ) ( resid 97 and name HN ) 3.91 2.31 0 !#SUP 5.07 ARG ASP assign ( resid 95 and name HG2 ) ( resid 97 and name HB2 ) 5.5 3.9 0 !#SUP 2.77 ARG ASP assign ( resid 95 and name HB2 ) ( resid 98 and name HN ) 4.22 2.62 0 !#SUP 4.75 ARG ASN assign ( resid 95 and name HD2 ) ( resid 98 and name HD21 ) 5.37 3.77 0 !#SUP 1.57 ARG ASN assign ( resid 95 and name HD2 ) ( resid 98 and name HD22 ) 5.45 3.85 0 !#SUP 0.75 ARG ASN assign ( resid 95 and name HG2 ) ( resid 98 and name HN ) 5.46 3.86 0 !#SUP 4.43 ARG ASN assign ( resid 95 and name HB2 ) ( resid 99 and name HN ) 4.44 2.84 0 !#SUP 4.47 ARG GLY assign ( resid 95 and name HB3 ) ( resid 99 and name HN ) 5.02 3.42 0 !#SUP 4.57 ARG GLY assign ( resid 95 and name HN ) ( resid 99 and name HA2 ) 5.5 3.9 0 !#SUP 4.83 ARG GLY assign ( resid 95 and name HB2 ) ( resid 100 and name HN ) 3.76 2.16 0 !#SUP 6.02 ARG ASN assign ( resid 95 and name HB3 ) ( resid 100 and name HN ) 4.47 2.87 0 !#SUP 6.02 ARG ASN assign ( resid 95 and name HD2 ) ( resid 100 and name HN ) 5.15 3.55 0 !#SUP 7.26 ARG ASN assign ( resid 95 and name HD2 ) ( resid 100 and name HB2 ) 4.81 3.21 0 !#SUP 2.96 ARG ASN assign ( resid 95 and name HD2 ) ( resid 100 and name HB3 ) 4.93 3.33 0 !#SUP 2.72 ARG ASN assign ( resid 95 and name HG2 ) ( resid 100 and name HN ) 4.84 3.24 0 !#SUP 7.57 ARG ASN assign ( resid 95 and name HG3 ) ( resid 100 and name HN ) 5.3 3.7 0 !#SUP 4.52 ARG ASN assign ( resid 95 and name HN ) ( resid 100 and name HN ) 5.05 3.45 0 !#SUP 9.94 ARG ASN assign ( resid 95 and name HD2 ) ( resid 119 and name HE* ) 3.07 1.47 0 !#SUP 3.73 ARG TYR assign ( resid 95 and name HD3 ) ( resid 119 and name HE* ) 4.73 3.13 0 !#SUP 1.73 ARG TYR assign ( resid 95 and name HG3 ) ( resid 119 and name HE* ) 5.5 3.9 0 !#SUP 2.25 ARG TYR assign ( resid 95 and name HN ) ( resid 119 and name HE* ) 5.5 3.9 0 !#SUP 1.74 ARG TYR assign ( resid 96 and name HA ) ( resid 96 and name HB ) 3 1.4 0 !#SUP 3 THR THR assign ( resid 96 and name HA ) ( resid 96 and name HG2* ) 3.22 1.62 0 !#SUP 3.36 THR THR assign ( resid 96 and name HN ) ( resid 96 and name HB ) 3.97 2.37 0 !#SUP 5.09 THR THR assign ( resid 96 and name HN ) ( resid 96 and name HG2* ) 3.26 1.66 0 !#SUP 5.5 THR THR assign ( resid 96 and name HB ) ( resid 97 and name HN ) 4.48 2.88 0 !#SUP 5.26 THR ASP assign ( resid 96 and name HG2* ) ( resid 97 and name HN ) 4.62 3.02 0 !#SUP 6.95 THR ASP assign ( resid 96 and name HG2* ) ( resid 97 and name HA ) 5.09 3.49 0 !#SUP 4.16 THR ASP assign ( resid 96 and name HN ) ( resid 97 and name HN ) 3.44 1.84 0 !#SUP 8.25 THR ASP assign ( resid 96 and name HN ) ( resid 97 and name HB2 ) 5.5 3.9 0 !#SUP 5.33 THR ASP assign ( resid 96 and name HN ) ( resid 97 and name HB3 ) 5.5 3.9 0 !#SUP 3.76 THR ASP assign ( resid 96 and name HG2* ) ( resid 98 and name HN ) 5.5 3.9 0 !#SUP 4.67 THR ASN assign ( resid 96 and name HA ) ( resid 99 and name HN ) 4.78 3.18 0 !#SUP 2.38 THR GLY assign ( resid 96 and name HG2* ) ( resid 99 and name HN ) 5.5 3.9 0 !#SUP 4.64 THR GLY assign ( resid 97 and name HN ) ( resid 97 and name HB2 ) 3.7 2.1 0 !#SUP 5.97 ASP ASP assign ( resid 97 and name HN ) ( resid 97 and name HB3 ) 3.87 2.27 0 !#SUP 5.97 ASP ASP assign ( resid 97 and name HB2 ) ( resid 98 and name HN ) 4.62 3.02 0 !#SUP 5.04 ASP ASN assign ( resid 97 and name HB3 ) ( resid 98 and name HN ) 4.63 3.03 0 !#SUP 5.04 ASP ASN assign ( resid 97 and name HN ) ( resid 98 and name HN ) 3.64 2.04 0 !#SUP 8.06 ASP ASN assign ( resid 97 and name HN ) ( resid 98 and name HD22 ) 5.5 3.9 0 !#SUP 4.79 ASP ASN assign ( resid 97 and name HA ) ( resid 99 and name HN ) 5.5 3.9 0 !#SUP 3.8 ASP GLY assign ( resid 97 and name HN ) ( resid 99 and name HN ) 4.45 2.85 0 !#SUP 5.32 ASP GLY assign ( resid 98 and name HA ) ( resid 98 and name HD22 ) 5.29 3.69 0 !#SUP 4.62 ASN ASN assign ( resid 98 and name HA ) ( resid 98 and name HD21 ) 5.34 3.74 0 !#SUP 4.72 ASN ASN assign ( resid 98 and name HN ) ( resid 98 and name HD22 ) 5.13 3.53 0 !#SUP 7.28 ASN ASN assign ( resid 98 and name HN ) ( resid 98 and name HB3 ) 4.15 2.55 0 !#SUP 7.97 ASN ASN assign ( resid 98 and name HN ) ( resid 98 and name HD21 ) 5.5 3.9 0 !#SUP 7.28 ASN ASN assign ( resid 98 and name HB2 ) ( resid 99 and name HN ) 5.16 3.56 0 !#SUP 5.47 ASN GLY assign ( resid 98 and name HB3 ) ( resid 99 and name HN ) 4.66 3.06 0 !#SUP 5.95 ASN GLY assign ( resid 98 and name HB3 ) ( resid 99 and name HA3 ) 5.5 3.9 0 !#SUP 4.12 ASN GLY assign ( resid 98 and name HN ) ( resid 99 and name HN ) 3.27 1.67 0 !#SUP 7.43 ASN GLY assign ( resid 98 and name HN ) ( resid 99 and name HA2 ) 4.7 3.1 0 !#SUP 3.72 ASN GLY assign ( resid 98 and name HN ) ( resid 99 and name HA3 ) 4.51 2.91 0 !#SUP 4.46 ASN GLY assign ( resid 98 and name HD21 ) ( resid 100 and name HN ) 5.16 3.56 0 !#SUP 6.39 ASN ASN assign ( resid 98 and name HD21 ) ( resid 100 and name HD21 ) 5.5 3.9 0 !#SUP 4.75 ASN ASN assign ( resid 98 and name HD21 ) ( resid 100 and name HD22 ) 5.46 3.86 0 !#SUP 4.15 ASN ASN assign ( resid 98 and name HD21 ) ( resid 100 and name HB2 ) 5.5 3.9 0 !#SUP 3 ASN ASN assign ( resid 98 and name HD21 ) ( resid 100 and name HA ) 4.57 2.97 0 !#SUP 2.58 ASN ASN assign ( resid 98 and name HD22 ) ( resid 100 and name HN ) 5.33 3.73 0 !#SUP 4.44 ASN ASN assign ( resid 98 and name HD22 ) ( resid 100 and name HD21 ) 5.5 3.9 0 !#SUP 2.96 ASN ASN assign ( resid 98 and name HD22 ) ( resid 100 and name HD22 ) 5.5 3.9 0 !#SUP 2.96 ASN ASN assign ( resid 99 and name HN ) ( resid 100 and name HN ) 3.45 1.85 0 !#SUP 4.61 GLY ASN assign ( resid 100 and name HA ) ( resid 100 and name HD21 ) 5.5 3.9 0 !#SUP 4.07 ASN ASN assign ( resid 100 and name HN ) ( resid 100 and name HD21 ) 4.84 3.24 0 !#SUP 5.69 ASN ASN assign ( resid 100 and name HN ) ( resid 100 and name HB2 ) 3.32 1.72 0 !#SUP 6.4 ASN ASN assign ( resid 100 and name HN ) ( resid 100 and name HB3 ) 3.47 1.87 0 !#SUP 6.4 ASN ASN assign ( resid 100 and name HN ) ( resid 100 and name HD22 ) 5.5 3.9 0 !#SUP 5.52 ASN ASN assign ( resid 100 and name HA ) ( resid 101 and name HN ) 3.17 1.57 0 !#SUP 4.41 ASN GLU assign ( resid 100 and name HB2 ) ( resid 101 and name HN ) 4.2 2.6 0 !#SUP 6.45 ASN GLU assign ( resid 100 and name HB3 ) ( resid 101 and name HN ) 3.8 2.2 0 !#SUP 5.16 ASN GLU assign ( resid 100 and name HN ) ( resid 101 and name HN ) 5.22 3.62 0 !#SUP 5.15 ASN GLU assign ( resid 100 and name HB2 ) ( resid 102 and name HN ) 5.33 3.73 0 !#SUP 3.01 ASN LEU assign ( resid 100 and name HB2 ) ( resid 119 and name HE* ) 3.32 1.72 0 !#SUP 2.14 ASN TYR assign ( resid 100 and name HB3 ) ( resid 119 and name HE* ) 3.6 2 0 !#SUP 3.69 ASN TYR assign ( resid 100 and name HB3 ) ( resid 120 and name HG3 ) 5.26 3.66 0 !#SUP 3.75 ASN GLU assign ( resid 100 and name HB3 ) ( resid 120 and name HG2 ) 5.5 3.9 0 !#SUP 3.49 ASN GLU assign ( resid 100 and name HD21 ) ( resid 120 and name HG2 ) 5.5 3.9 0 !#SUP 1.2 ASN GLU assign ( resid 100 and name HD22 ) ( resid 120 and name HG3 ) 5.5 3.9 0 !#SUP 2.15 ASN GLU assign ( resid 101 and name HA ) ( resid 101 and name HG3 ) 4.03 2.43 0 !#SUP 3.13 GLU GLU assign ( resid 101 and name HA ) ( resid 101 and name HG2 ) 4.18 2.58 0 !#SUP 4.11 GLU GLU assign ( resid 101 and name HB* ) ( resid 101 and name HG3 ) 2.44 0.84 0 !#SUP 3.67 GLU GLU assign ( resid 101 and name HN ) ( resid 101 and name HG2 ) 3.59 1.99 0 !#SUP 5.71 GLU GLU assign ( resid 101 and name HN ) ( resid 101 and name HB* ) 3.04 1.44 0 !#SUP 5.92 GLU GLU assign ( resid 101 and name HA ) ( resid 102 and name HN ) 3.01 1.41 0 !#SUP 6.75 GLU LEU assign ( resid 101 and name HB* ) ( resid 102 and name HN ) 3.88 2.28 0 !#SUP 7.44 GLU LEU assign ( resid 101 and name HG2 ) ( resid 102 and name HN ) 4.61 3.01 0 !#SUP 7.05 GLU LEU assign ( resid 101 and name HG3 ) ( resid 102 and name HN ) 4.77 3.17 0 !#SUP 6.31 GLU LEU assign ( resid 101 and name HN ) ( resid 102 and name HN ) 4.79 3.19 0 !#SUP 6.65 GLU LEU assign ( resid 101 and name HN ) ( resid 102 and name HA ) 5.26 3.66 0 !#SUP 4.23 GLU LEU assign ( resid 101 and name HA ) ( resid 103 and name HD22 ) 5.5 3.9 0 !#SUP 5 GLU ASN assign ( resid 101 and name HA ) ( resid 103 and name HD21 ) 5.5 3.9 0 !#SUP 4.71 GLU ASN assign ( resid 101 and name HB* ) ( resid 103 and name HD22 ) 4.18 2.58 0 !#SUP 6.18 GLU ASN assign ( resid 101 and name HB* ) ( resid 103 and name HD21 ) 4.18 2.58 0 !#SUP 5.36 GLU ASN assign ( resid 101 and name HG2 ) ( resid 103 and name HD21 ) 5.37 3.77 0 !#SUP 4.72 GLU ASN assign ( resid 101 and name HG2 ) ( resid 103 and name HD22 ) 5.5 3.9 0 !#SUP 5.03 GLU ASN assign ( resid 101 and name HG3 ) ( resid 103 and name HD22 ) 5.5 3.9 0 !#SUP 5.03 GLU ASN assign ( resid 101 and name HG3 ) ( resid 103 and name HD21 ) 5.25 3.65 0 !#SUP 4.49 GLU ASN assign ( resid 102 and name HA ) ( resid 102 and name HG ) 3.95 2.35 0 !#SUP 6.75 LEU LEU assign ( resid 102 and name HA ) ( resid 102 and name HD2* ) 4.34 2.74 0 !#SUP 6.43 LEU LEU assign ( resid 102 and name HA ) ( resid 102 and name HD1* ) 4.29 2.69 0 !#SUP 7.96 LEU LEU assign ( resid 102 and name HB3 ) ( resid 102 and name HD1* ) 3.47 1.87 0 !#SUP 6.92 LEU LEU assign ( resid 102 and name HB3 ) ( resid 102 and name HD2* ) 3.86 2.26 0 !#SUP 5.78 LEU LEU assign ( resid 102 and name HN ) ( resid 102 and name HD1* ) 4.58 2.98 0 !#SUP 7.87 LEU LEU assign ( resid 102 and name HN ) ( resid 102 and name HB3 ) 4.09 2.49 0 !#SUP 7.38 LEU LEU assign ( resid 102 and name HN ) ( resid 102 and name HG ) 5.23 3.63 0 !#SUP 7.38 LEU LEU assign ( resid 102 and name HA ) ( resid 103 and name HN ) 3.09 1.49 0 !#SUP 8.74 LEU ASN assign ( resid 102 and name HA ) ( resid 103 and name HD22 ) 5.5 3.9 0 !#SUP 7.02 LEU ASN assign ( resid 102 and name HB2 ) ( resid 103 and name HN ) 4.61 3.01 0 !#SUP 8.74 LEU ASN assign ( resid 102 and name HB2 ) ( resid 103 and name HA ) 5.44 3.84 0 !#SUP 5.22 LEU ASN add 0.5 assign ( resid 102 and name HB3 ) ( resid 103 and name HN ) 4.82 3.22 0 !#SUP 8.16 LEU ASN assign ( resid 102 and name HD1* ) ( resid 103 and name HN ) 4.09 2.49 0 !#SUP 9.85 LEU ASN assign ( resid 102 and name HD1* ) ( resid 103 and name HD22 ) 5.12 3.52 0 !#SUP 7.78 LEU ASN assign ( resid 102 and name HD1* ) ( resid 103 and name HB3 ) 4.55 2.95 0 !#SUP 5.68 LEU ASN assign ( resid 102 and name HD2* ) ( resid 103 and name HN ) 3.78 2.18 0 !#SUP 8.17 LEU ASN assign ( resid 102 and name HG ) ( resid 103 and name HN ) 4.84 3.24 0 !#SUP 8.16 LEU ASN assign ( resid 102 and name HN ) ( resid 103 and name HN ) 5.08 3.48 0 !#SUP 7.44 LEU ASN assign ( resid 102 and name HD2* ) ( resid 104 and name HB ) 3.99 2.39 0 !#SUP 0.99 LEU THR assign ( resid 102 and name HD2* ) ( resid 104 and name HA ) 4.97 3.37 0 !#SUP 1.44 LEU THR assign ( resid 102 and name HD1* ) ( resid 117 and name HB2 ) 5.5 3.9 0 !#SUP 4.26 LEU TYR assign ( resid 102 and name HD1* ) ( resid 117 and name HD* ) 3.98 2.38 0 !#SUP 3.15 LEU TYR assign ( resid 102 and name HD2* ) ( resid 117 and name QR ) 4.8 3.2 0 !#SUP 2.25 LEU TYR assign ( resid 102 and name HD2* ) ( resid 117 and name HB2 ) 4.12 2.52 0 !#SUP 3.85 LEU TYR assign ( resid 102 and name HD2* ) ( resid 117 and name HD* ) 3.51 1.91 0 !#SUP 3.54 LEU TYR assign ( resid 102 and name HD1* ) ( resid 118 and name HN ) 3.51 1.91 0 !#SUP 8.94 LEU VAL assign ( resid 102 and name HD1* ) ( resid 118 and name HB ) 4.83 3.23 0 !#SUP 9.6 LEU VAL assign ( resid 102 and name HD1* ) ( resid 118 and name HA ) 5.19 3.59 0 !#SUP 3.88 LEU VAL assign ( resid 102 and name HD2* ) ( resid 118 and name HN ) 4.47 2.87 0 !#SUP 6.32 LEU VAL assign ( resid 102 and name HA ) ( resid 119 and name HB2 ) 4.92 3.32 0 !#SUP 3.48 LEU TYR assign ( resid 102 and name HA ) ( resid 119 and name HD* ) 3.73 2.13 0 !#SUP 6.62 LEU TYR assign ( resid 102 and name HB2 ) ( resid 119 and name HD* ) 4.74 3.14 0 !#SUP 4.28 LEU TYR assign ( resid 102 and name HB3 ) ( resid 119 and name HD* ) 3.86 2.26 0 !#SUP 6.47 LEU TYR assign ( resid 102 and name HB3 ) ( resid 119 and name HE* ) 4.07 2.47 0 !#SUP 2.22 LEU TYR assign ( resid 102 and name HD1* ) ( resid 119 and name HB3 ) 5.28 3.68 0 !#SUP 3.81 LEU TYR assign ( resid 102 and name HD1* ) ( resid 119 and name HE* ) 5.5 3.9 0 !#SUP 5.04 LEU TYR assign ( resid 102 and name HD1* ) ( resid 119 and name HB2 ) 4.18 2.58 0 !#SUP 7.53 LEU TYR assign ( resid 102 and name HD1* ) ( resid 119 and name HA ) 5.17 3.57 0 !#SUP 5.17 LEU TYR assign ( resid 102 and name HD1* ) ( resid 119 and name HD* ) 3.89 2.29 0 !#SUP 10 LEU TYR assign ( resid 102 and name HG ) ( resid 119 and name HB2 ) 4.73 3.13 0 !#SUP 2.96 LEU TYR assign ( resid 102 and name HG ) ( resid 119 and name HD* ) 4.4 2.8 0 !#SUP 6.45 LEU TYR assign ( resid 103 and name HA ) ( resid 103 and name HD22 ) 5.22 3.62 0 !#SUP 5.77 ASN ASN assign ( resid 103 and name HA ) ( resid 103 and name HD21 ) 5.5 3.9 0 !#SUP 5.41 ASN ASN assign ( resid 103 and name HB3 ) ( resid 103 and name HD22 ) 3.95 2.35 0 !#SUP 5.76 ASN ASN assign ( resid 103 and name HN ) ( resid 103 and name HD21 ) 5.41 3.81 0 !#SUP 7.76 ASN ASN assign ( resid 103 and name HN ) ( resid 103 and name HD22 ) 4.81 3.21 0 !#SUP 8.36 ASN ASN assign ( resid 103 and name HN ) ( resid 103 and name HB3 ) 3.76 2.16 0 !#SUP 8.32 ASN ASN assign ( resid 103 and name HN ) ( resid 103 and name HB2 ) 3.87 2.27 0 !#SUP 7.74 ASN ASN assign ( resid 103 and name HA ) ( resid 104 and name HN ) 2.97 1.37 0 !#SUP 5.56 ASN THR assign ( resid 103 and name HA ) ( resid 104 and name HG2* ) 4.72 3.12 0 !#SUP 4.03 ASN THR assign ( resid 103 and name HB2 ) ( resid 104 and name HN ) 3.95 2.35 0 !#SUP 5.89 ASN THR assign ( resid 103 and name HB3 ) ( resid 104 and name HN ) 4.25 2.65 0 !#SUP 5.15 ASN THR assign ( resid 103 and name HN ) ( resid 104 and name HN ) 4.74 3.14 0 !#SUP 5.13 ASN THR assign ( resid 103 and name HA ) ( resid 118 and name HB ) 5.15 3.55 0 !#SUP 3.39 ASN VAL assign ( resid 103 and name HB2 ) ( resid 118 and name HN ) 5 3.4 0 !#SUP 4.68 ASN VAL assign ( resid 103 and name HB2 ) ( resid 118 and name HB ) 4.11 2.51 0 !#SUP 6.39 ASN VAL assign ( resid 103 and name HB2 ) ( resid 118 and name HG1* ) 4.91 3.31 0 !#SUP 4.95 ASN VAL assign ( resid 103 and name HB3 ) ( resid 118 and name HN ) 4.95 3.35 0 !#SUP 5.08 ASN VAL assign ( resid 103 and name HB3 ) ( resid 118 and name HB ) 3.53 1.93 0 !#SUP 6.92 ASN VAL assign ( resid 103 and name HB3 ) ( resid 118 and name HG1* ) 3.6 2 0 !#SUP 4.95 ASN VAL assign ( resid 103 and name HD22 ) ( resid 118 and name HB ) 5.04 3.44 0 !#SUP 5.31 ASN VAL assign ( resid 103 and name HN ) ( resid 118 and name HB ) 4.04 2.44 0 !#SUP 8.8 ASN VAL assign ( resid 103 and name HN ) ( resid 118 and name HN ) 3.93 2.33 0 !#SUP 6.82 ASN VAL assign ( resid 103 and name HN ) ( resid 119 and name HD* ) 5.14 3.54 0 !#SUP 6.54 ASN TYR assign ( resid 104 and name HA ) ( resid 104 and name HG2* ) 3.57 1.97 0 !#SUP 4.46 THR THR assign ( resid 104 and name HN ) ( resid 104 and name HG2* ) 3.49 1.89 0 !#SUP 6.05 THR THR assign ( resid 104 and name HA ) ( resid 105 and name HA ) 5.5 3.9 0 !#SUP 4.5 THR VAL assign ( resid 104 and name HA ) ( resid 105 and name HB ) 5.1 3.5 0 !#SUP 4.49 THR VAL assign ( resid 104 and name HA ) ( resid 105 and name HN ) 3.27 1.67 0 !#SUP 5.95 THR VAL assign ( resid 104 and name HA ) ( resid 105 and name HG2* ) 4.55 2.95 0 !#SUP 5.01 THR VAL assign ( resid 104 and name HB ) ( resid 105 and name HN ) 4.09 2.49 0 !#SUP 4.16 THR VAL assign ( resid 104 and name HG2* ) ( resid 105 and name HN ) 4.62 3.02 0 !#SUP 4.16 THR VAL assign ( resid 104 and name HN ) ( resid 105 and name HN ) 5.14 3.54 0 !#SUP 5 THR VAL assign ( resid 104 and name HN ) ( resid 105 and name HG2* ) 4.38 2.78 0 !#SUP 4.4 THR VAL assign ( resid 104 and name HA ) ( resid 116 and name HN ) 5.16 3.56 0 !#SUP 4.17 THR THR assign ( resid 104 and name HA ) ( resid 117 and name HA ) 3.85 2.25 0 !#SUP 5.48 THR TYR assign ( resid 104 and name HA ) ( resid 117 and name QR ) 5.28 3.68 0 !#SUP 4.97 THR TYR assign ( resid 104 and name HB ) ( resid 117 and name QR ) 5.46 3.86 0 !#SUP 4.97 THR TYR assign ( resid 104 and name HB ) ( resid 117 and name HA ) 5.04 3.44 0 !#SUP 5.48 THR TYR assign ( resid 104 and name HB ) ( resid 117 and name HD* ) 3.4 1.8 0 !#SUP 3.87 THR TYR assign ( resid 104 and name HB ) ( resid 117 and name HE* ) 4.31 2.71 0 !#SUP 3.37 THR TYR assign ( resid 104 and name HG2* ) ( resid 117 and name HE* ) 3.99 2.39 0 !#SUP 1.6 THR TYR assign ( resid 104 and name HN ) ( resid 117 and name HA ) 5.42 3.82 0 !#SUP 3 THR TYR assign ( resid 104 and name HA ) ( resid 118 and name HN ) 4.36 2.76 0 !#SUP 4.17 THR VAL assign ( resid 105 and name HA ) ( resid 105 and name HG1* ) 3.46 1.86 0 !#SUP 4.4 VAL VAL assign ( resid 105 and name HN ) ( resid 105 and name HB ) 3.67 2.07 0 !#SUP 5.9 VAL VAL assign ( resid 105 and name HN ) ( resid 105 and name HG2* ) 3.9 2.3 0 !#SUP 5.52 VAL VAL assign ( resid 105 and name HA ) ( resid 106 and name HB* ) 5.5 3.9 0 !#SUP 4.6 VAL ARG assign ( resid 105 and name HA ) ( resid 106 and name HN ) 3.17 1.57 0 !#SUP 5.07 VAL ARG assign ( resid 105 and name HB ) ( resid 106 and name HN ) 4.35 2.75 0 !#SUP 4.84 VAL ARG assign ( resid 105 and name HG1* ) ( resid 106 and name HN ) 3.45 1.85 0 !#SUP 4.17 VAL ARG assign ( resid 105 and name HG1* ) ( resid 106 and name HA ) 4.54 2.94 0 !#SUP 3.51 VAL ARG assign ( resid 105 and name HN ) ( resid 106 and name HN ) 5.18 3.58 0 !#SUP 3.78 VAL ARG assign ( resid 105 and name HA ) ( resid 115 and name HG3 ) 5.5 3.9 0 !#SUP 1.5 VAL GLN assign ( resid 105 and name HN ) ( resid 115 and name HA ) 4.9 3.3 0 !#SUP 5.94 VAL GLN assign ( resid 105 and name HN ) ( resid 115 and name HG2 ) 5.13 3.53 0 !#SUP 2.82 VAL GLN assign ( resid 105 and name HN ) ( resid 115 and name HG3 ) 5.2 3.6 0 !#SUP 5.89 VAL GLN assign ( resid 105 and name HB ) ( resid 116 and name HN ) 4.11 2.51 0 !#SUP 4.85 VAL THR assign ( resid 105 and name HB ) ( resid 116 and name HB ) 3.6 2 0 !#SUP 3.26 VAL THR assign ( resid 105 and name HG2* ) ( resid 116 and name HN ) 4.83 3.23 0 !#SUP 4.05 VAL THR assign ( resid 105 and name HG2* ) ( resid 116 and name HB ) 4.91 3.31 0 !#SUP 2.96 VAL THR assign ( resid 105 and name HN ) ( resid 116 and name HN ) 3.9 2.3 0 !#SUP 9.58 VAL THR assign ( resid 105 and name HN ) ( resid 116 and name HB ) 4.17 2.57 0 !#SUP 6.21 VAL THR assign ( resid 105 and name HN ) ( resid 116 and name HG2* ) 5.29 3.69 0 !#SUP 3.77 VAL THR assign ( resid 105 and name HN ) ( resid 117 and name QR ) 5.36 3.76 0 !#SUP 5.69 VAL TYR assign ( resid 105 and name HN ) ( resid 117 and name HA ) 4.75 3.15 0 !#SUP 6.21 VAL TYR assign ( resid 105 and name HN ) ( resid 118 and name HN ) 5.07 3.47 0 !#SUP 2.96 VAL VAL assign ( resid 106 and name HB* ) ( resid 106 and name HD2 ) 4.22 2.62 0 !#SUP 5.2 ARG ARG assign ( resid 106 and name HN ) ( resid 106 and name HB* ) 3.95 2.35 0 !#SUP 6.59 ARG ARG assign ( resid 106 and name HN ) ( resid 106 and name HG2 ) 5.5 3.9 0 !#SUP 6.4 ARG ARG assign ( resid 106 and name HA ) ( resid 107 and name HN ) 3.13 1.53 0 !#SUP 5.05 ARG GLU assign ( resid 106 and name HB* ) ( resid 107 and name HN ) 4.77 3.17 0 !#SUP 6.4 ARG GLU assign ( resid 106 and name HB* ) ( resid 107 and name HA ) 5.5 3.9 0 !#SUP 4.88 ARG GLU assign ( resid 106 and name HG2 ) ( resid 107 and name HN ) 5.36 3.76 0 !#SUP 6.39 ARG GLU assign ( resid 106 and name HG3 ) ( resid 107 and name HN ) 5.5 3.9 0 !#SUP 5.15 ARG GLU assign ( resid 106 and name HN ) ( resid 107 and name HN ) 4.85 3.25 0 !#SUP 4.34 ARG GLU assign ( resid 106 and name HB* ) ( resid 113 and name HD1* ) 4.03 2.43 0 !#SUP 1.76 ARG LEU assign ( resid 106 and name HD2 ) ( resid 113 and name HD2* ) 5.01 3.41 0 !#SUP 2.37 ARG LEU assign ( resid 106 and name HD3 ) ( resid 113 and name HD2* ) 4.45 2.85 0 !#SUP 3.48 ARG LEU assign ( resid 106 and name HG2 ) ( resid 113 and name HD1* ) 5.5 3.9 0 !#SUP 3.28 ARG LEU assign ( resid 106 and name HG2 ) ( resid 113 and name HD2* ) 5.5 3.9 0 !#SUP 4.61 ARG LEU assign ( resid 106 and name HG3 ) ( resid 113 and name HD2* ) 5.5 3.9 0 !#SUP 2.87 ARG LEU assign ( resid 106 and name HA ) ( resid 114 and name HG2* ) 5.5 3.9 0 !#SUP 3.21 ARG VAL assign ( resid 106 and name HA ) ( resid 115 and name HG3 ) 5.5 3.9 0 !#SUP 4.65 ARG GLN assign ( resid 106 and name HA ) ( resid 115 and name HA ) 3.92 2.32 0 !#SUP 7.16 ARG GLN assign ( resid 106 and name HA ) ( resid 115 and name HB2 ) 4.32 2.72 0 !#SUP 5.31 ARG GLN assign ( resid 106 and name HB* ) ( resid 115 and name HA ) 5.5 3.9 0 !#SUP 3.78 ARG GLN assign ( resid 106 and name HG2 ) ( resid 115 and name HB2 ) 5.5 3.9 0 !#SUP 2.06 ARG GLN assign ( resid 106 and name HG3 ) ( resid 115 and name HB2 ) 5.12 3.52 0 !#SUP 2.96 ARG GLN assign ( resid 106 and name HG3 ) ( resid 115 and name HE22 ) 5.5 3.9 0 !#SUP 0.69 ARG GLN assign ( resid 106 and name HN ) ( resid 115 and name HA ) 5.1 3.5 0 !#SUP 3 ARG GLN assign ( resid 106 and name HA ) ( resid 116 and name HN ) 4.59 2.99 0 !#SUP 4.04 ARG THR assign ( resid 107 and name HA ) ( resid 107 and name HG2 ) 3.59 1.99 0 !#SUP 4.25 GLU GLU assign ( resid 107 and name HB* ) ( resid 107 and name HG2 ) 2.76 1.16 0 !#SUP 3.55 GLU GLU assign ( resid 107 and name HN ) ( resid 107 and name HB* ) 4.19 2.59 0 !#SUP 5.49 GLU GLU assign ( resid 107 and name HA ) ( resid 108 and name HN ) 3.09 1.49 0 !#SUP 6.34 GLU ILE assign ( resid 107 and name HA ) ( resid 108 and name HG2* ) 4.89 3.29 0 !#SUP 4.32 GLU ILE assign ( resid 107 and name HB* ) ( resid 108 and name HN ) 3.9 2.3 0 !#SUP 5.55 GLU ILE assign ( resid 107 and name HB3 ) ( resid 108 and name HN ) 4.16 2.56 0 !#SUP 4.76 GLU ILE assign ( resid 107 and name HG2 ) ( resid 108 and name HN ) 3.7 2.1 0 !#SUP 6.17 GLU ILE assign ( resid 107 and name HN ) ( resid 108 and name HN ) 5.5 3.9 0 !#SUP 4.95 GLU ILE assign ( resid 107 and name HG2 ) ( resid 109 and name HG13 ) 4.63 3.03 0 !#SUP 2.94 GLU ILE assign ( resid 107 and name HG2 ) ( resid 109 and name HA ) 5.36 3.76 0 !#SUP 4.54 GLU ILE assign ( resid 107 and name HG2 ) ( resid 109 and name HG2* ) 5.16 3.56 0 !#SUP 2.58 GLU ILE assign ( resid 107 and name HG3 ) ( resid 109 and name HD1* ) 4.82 3.22 0 !#SUP 0.84 GLU ILE assign ( resid 107 and name HN ) ( resid 113 and name HD2* ) 5.5 3.9 0 !#SUP 7.04 GLU LEU assign ( resid 107 and name HN ) ( resid 113 and name HD1* ) 4.12 2.52 0 !#SUP 7.62 GLU LEU assign ( resid 107 and name HB* ) ( resid 114 and name HG2* ) 4.14 2.54 0 !#SUP 0.94 GLU VAL assign ( resid 107 and name HN ) ( resid 114 and name HG2* ) 4.64 3.04 0 !#SUP 6.7 GLU VAL assign ( resid 107 and name HN ) ( resid 114 and name HA ) 5.5 3.9 0 !#SUP 3.42 GLU VAL assign ( resid 107 and name HN ) ( resid 114 and name HN ) 4.01 2.41 0 !#SUP 6.76 GLU VAL assign ( resid 107 and name HN ) ( resid 114 and name HB ) 4.19 2.59 0 !#SUP 4.56 GLU VAL assign ( resid 107 and name HN ) ( resid 115 and name HA ) 4.4 2.8 0 !#SUP 5.18 GLU GLN assign ( resid 108 and name HA ) ( resid 108 and name HG13 ) 4.08 2.48 0 !#SUP 5.74 ILE ILE assign ( resid 108 and name HA ) ( resid 108 and name HG2* ) 3.87 2.27 0 !#SUP 6.03 ILE ILE assign ( resid 108 and name HB ) ( resid 108 and name HD1* ) 3.91 2.31 0 !#SUP 4.78 ILE ILE assign ( resid 108 and name HG2* ) ( resid 108 and name HG13 ) 3.49 1.89 0 !#SUP 6.55 ILE ILE assign ( resid 108 and name HG2* ) ( resid 108 and name HD1* ) 3.35 1.75 0 !#SUP 5.59 ILE ILE assign ( resid 108 and name HN ) ( resid 108 and name HD1* ) 4.78 3.18 0 !#SUP 5.13 ILE ILE assign ( resid 108 and name HN ) ( resid 108 and name HB ) 3.26 1.66 0 !#SUP 5.79 ILE ILE assign ( resid 108 and name HN ) ( resid 108 and name HG2* ) 3.29 1.69 0 !#SUP 6.12 ILE ILE assign ( resid 108 and name HA ) ( resid 109 and name HN ) 3.21 1.61 0 !#SUP 6.31 ILE ILE assign ( resid 108 and name HA ) ( resid 109 and name HD1* ) 4.58 2.98 0 !#SUP 3.87 ILE ILE assign ( resid 108 and name HD1* ) ( resid 109 and name HN ) 3.98 2.38 0 !#SUP 6.24 ILE ILE assign ( resid 108 and name HG12 ) ( resid 109 and name HN ) 3.42 1.82 0 !#SUP 6.73 ILE ILE assign ( resid 108 and name HG12 ) ( resid 109 and name HA ) 4.61 3.01 0 !#SUP 5.33 ILE ILE assign ( resid 108 and name HG13 ) ( resid 109 and name HN ) 3.83 2.23 0 !#SUP 6.98 ILE ILE assign ( resid 108 and name HG13 ) ( resid 109 and name HA ) 5.5 3.9 0 !#SUP 6.3 ILE ILE assign ( resid 108 and name HG2* ) ( resid 110 and name HN ) 5.43 3.83 0 !#SUP 2.83 ILE GLY assign ( resid 108 and name HD1* ) ( resid 111 and name HN ) 5.5 3.9 0 !#SUP 2.59 ILE ASP assign ( resid 108 and name HG13 ) ( resid 111 and name HN ) 5.5 3.9 0 !#SUP 3.24 ILE ASP assign ( resid 108 and name HD1* ) ( resid 112 and name HN ) 5.5 3.9 0 !#SUP 7.02 ILE GLU assign ( resid 108 and name HG12 ) ( resid 112 and name HN ) 3.91 2.31 0 !#SUP 4.27 ILE GLU assign ( resid 108 and name HG13 ) ( resid 112 and name HN ) 4.44 2.84 0 !#SUP 4.99 ILE GLU assign ( resid 108 and name HA ) ( resid 113 and name HD1* ) 4.97 3.37 0 !#SUP 5.51 ILE LEU assign ( resid 108 and name HA ) ( resid 113 and name HA ) 3.79 2.19 0 !#SUP 6.68 ILE LEU assign ( resid 108 and name HB ) ( resid 113 and name HD1* ) 4.43 2.83 0 !#SUP 5.86 ILE LEU assign ( resid 108 and name HB ) ( resid 113 and name HA ) 5.05 3.45 0 !#SUP 6.77 ILE LEU assign ( resid 108 and name HD1* ) ( resid 113 and name HN ) 5.5 3.9 0 !#SUP 5.44 ILE LEU assign ( resid 108 and name HD1* ) ( resid 113 and name HD2* ) 5.12 3.52 0 !#SUP 5.47 ILE LEU assign ( resid 108 and name HD1* ) ( resid 113 and name HA ) 5.42 3.82 0 !#SUP 9.59 ILE LEU assign ( resid 108 and name HD1* ) ( resid 113 and name HD1* ) 3.97 2.37 0 !#SUP 8.6 ILE LEU assign ( resid 108 and name HD1* ) ( resid 113 and name HB3 ) 4.08 2.48 0 !#SUP 3.99 ILE LEU assign ( resid 108 and name HG12 ) ( resid 113 and name HA ) 3.95 2.35 0 !#SUP 5.1 ILE LEU assign ( resid 108 and name HN ) ( resid 113 and name HA ) 5.5 3.9 0 !#SUP 2.71 ILE LEU assign ( resid 108 and name HA ) ( resid 114 and name HN ) 4.39 2.79 0 !#SUP 5.53 ILE VAL assign ( resid 108 and name HB ) ( resid 114 and name HN ) 5.5 3.9 0 !#SUP 5.32 ILE VAL assign ( resid 108 and name HD1* ) ( resid 114 and name HN ) 4.46 2.86 0 !#SUP 7.59 ILE VAL assign ( resid 109 and name HA ) ( resid 109 and name HG12 ) 3.92 2.32 0 !#SUP 7.33 ILE ILE assign ( resid 109 and name HA ) ( resid 109 and name HG13 ) 3.94 2.34 0 !#SUP 7.4 ILE ILE assign ( resid 109 and name HA ) ( resid 109 and name HG2* ) 3.21 1.61 0 !#SUP 6.6 ILE ILE assign ( resid 109 and name HA ) ( resid 109 and name HD1* ) 4.09 2.49 0 !#SUP 7.15 ILE ILE assign ( resid 109 and name HB ) ( resid 109 and name HD1* ) 3.34 1.74 0 !#SUP 5.76 ILE ILE assign ( resid 109 and name HG2* ) ( resid 109 and name HG13 ) 3.57 1.97 0 !#SUP 5.27 ILE ILE assign ( resid 109 and name HN ) ( resid 109 and name HB ) 3.58 1.98 0 !#SUP 8.17 ILE ILE assign ( resid 109 and name HN ) ( resid 109 and name HG12 ) 4.45 2.85 0 !#SUP 8.08 ILE ILE assign ( resid 109 and name HN ) ( resid 109 and name HG13 ) 4.14 2.54 0 !#SUP 8.17 ILE ILE assign ( resid 109 and name HN ) ( resid 109 and name HG2* ) 4.53 2.93 0 !#SUP 7.34 ILE ILE assign ( resid 109 and name HN ) ( resid 109 and name HD1* ) 4.89 3.29 0 !#SUP 7.95 ILE ILE assign ( resid 109 and name HA ) ( resid 110 and name HN ) 2.89 1.29 0 !#SUP 9.31 ILE GLY assign ( resid 109 and name HA ) ( resid 110 and name HA3 ) 4.57 2.97 0 !#SUP 5.19 ILE GLY assign ( resid 109 and name HA ) ( resid 110 and name HA2 ) 5.02 3.42 0 !#SUP 5.19 ILE GLY assign ( resid 109 and name HB ) ( resid 110 and name HN ) 4.49 2.89 0 !#SUP 8.21 ILE GLY assign ( resid 109 and name HD1* ) ( resid 110 and name HN ) 5.5 3.9 0 !#SUP 6.67 ILE GLY assign ( resid 109 and name HG12 ) ( resid 110 and name HN ) 4.71 3.11 0 !#SUP 7.12 ILE GLY assign ( resid 109 and name HG13 ) ( resid 110 and name HN ) 5.5 3.9 0 !#SUP 7.18 ILE GLY assign ( resid 109 and name HG2* ) ( resid 110 and name HN ) 3.63 2.03 0 !#SUP 6.39 ILE GLY assign ( resid 109 and name HN ) ( resid 110 and name HN ) 4.79 3.19 0 !#SUP 7.54 ILE GLY assign ( resid 109 and name HA ) ( resid 111 and name HN ) 5.44 3.84 0 !#SUP 5.18 ILE ASP assign ( resid 109 and name HB ) ( resid 111 and name HN ) 5.5 3.9 0 !#SUP 5.45 ILE ASP assign ( resid 109 and name HB ) ( resid 112 and name HN ) 5.48 3.88 0 !#SUP 6.63 ILE GLU assign ( resid 109 and name HB ) ( resid 112 and name HB2 ) 5.26 3.66 0 !#SUP 5.89 ILE GLU assign ( resid 109 and name HG13 ) ( resid 112 and name HN ) 5.5 3.9 0 !#SUP 4.88 ILE GLU assign ( resid 109 and name HN ) ( resid 112 and name HB2 ) 4.71 3.11 0 !#SUP 5.38 ILE GLU assign ( resid 109 and name HN ) ( resid 112 and name HN ) 3.98 2.38 0 !#SUP 8.35 ILE GLU assign ( resid 109 and name HN ) ( resid 113 and name HA ) 3.93 2.33 0 !#SUP 8.13 ILE LEU assign ( resid 109 and name HN ) ( resid 113 and name HD1* ) 5.5 3.9 0 !#SUP 6.79 ILE LEU assign ( resid 109 and name HD1* ) ( resid 114 and name HA ) 5.46 3.86 0 !#SUP 1.5 ILE VAL assign ( resid 109 and name HD1* ) ( resid 114 and name HB ) 3.49 1.89 0 !#SUP 3.46 ILE VAL assign ( resid 109 and name HD1* ) ( resid 114 and name HG1* ) 3.08 1.48 0 !#SUP 4.72 ILE VAL assign ( resid 109 and name HN ) ( resid 114 and name HN ) 4.7 3.1 0 !#SUP 6.33 ILE VAL assign ( resid 110 and name HA2 ) ( resid 111 and name HN ) 3.19 1.59 0 !#SUP 6.18 GLY ASP assign ( resid 110 and name HA2 ) ( resid 111 and name HB2 ) 4.37 2.77 0 !#SUP 3.05 GLY ASP assign ( resid 110 and name HA3 ) ( resid 111 and name HA ) 4.53 2.93 0 !#SUP 3.41 GLY ASP assign ( resid 110 and name HN ) ( resid 111 and name HN ) 4.64 3.04 0 !#SUP 7.04 GLY ASP assign ( resid 110 and name HA2 ) ( resid 112 and name HN ) 4.75 3.15 0 !#SUP 5.79 GLY GLU ! 0.5 assign ( resid 110 and name HA3 ) ( resid 112 and name HN ) 5.5 3.9 0 !#SUP 5.9 GLY GLU assign ( resid 110 and name HN ) ( resid 112 and name HN ) 4.91 3.31 0 !#SUP 7.74 GLY GLU assign ( resid 111 and name HN ) ( resid 111 and name HB3 ) 3.86 2.26 0 !#SUP 6.01 ASP ASP assign ( resid 111 and name HN ) ( resid 111 and name HB2 ) 3.75 2.15 0 !#SUP 6.36 ASP ASP assign ( resid 111 and name HB2 ) ( resid 112 and name HN ) 4.62 3.02 0 !#SUP 6.94 ASP GLU assign ( resid 111 and name HB3 ) ( resid 112 and name HN ) 4.49 2.89 0 !#SUP 6.53 ASP GLU assign ( resid 111 and name HB3 ) ( resid 112 and name HA ) 5.29 3.69 0 !#SUP 4.1 ASP GLU assign ( resid 111 and name HN ) ( resid 112 and name HB2 ) 5 3.4 0 !#SUP 5.89 ASP GLU assign ( resid 111 and name HN ) ( resid 112 and name HG2 ) 5.13 3.53 0 !#SUP 4.96 ASP GLU assign ( resid 111 and name HN ) ( resid 112 and name HA ) 5.5 3.9 0 !#SUP 5.85 ASP GLU assign ( resid 111 and name HN ) ( resid 112 and name HN ) 3.18 1.58 0 !#SUP 9.45 ASP GLU assign ( resid 112 and name HA ) ( resid 112 and name HG2 ) 4.09 2.49 0 !#SUP 6.62 GLU GLU assign ( resid 112 and name HA ) ( resid 112 and name HG3 ) 4.08 2.48 0 !#SUP 5.87 GLU GLU assign ( resid 112 and name HN ) ( resid 112 and name HG2 ) 3.84 2.24 0 !#SUP 6.51 GLU GLU assign ( resid 112 and name HN ) ( resid 112 and name HB2 ) 3.27 1.67 0 !#SUP 6.82 GLU GLU assign ( resid 112 and name HN ) ( resid 112 and name HG3 ) 4.3 2.7 0 !#SUP 5.85 GLU GLU assign ( resid 112 and name HN ) ( resid 112 and name HB3 ) 3.9 2.3 0 !#SUP 5.7 GLU GLU assign ( resid 112 and name HA ) ( resid 113 and name HB2 ) 4.91 3.31 0 !#SUP 4.74 GLU LEU assign ( resid 112 and name HA ) ( resid 113 and name HN ) 3.24 1.64 0 !#SUP 6.28 GLU LEU assign ( resid 112 and name HG2 ) ( resid 113 and name HN ) 5.5 3.9 0 !#SUP 5.76 GLU LEU assign ( resid 112 and name HG3 ) ( resid 113 and name HN ) 4.75 3.15 0 !#SUP 5.09 GLU LEU assign ( resid 112 and name HB3 ) ( resid 127 and name HG2* ) 3.34 1.74 0 !#SUP 1.97 GLU ILE assign ( resid 112 and name HG2 ) ( resid 127 and name HG2* ) 5.5 3.9 0 !#SUP 2.56 GLU ILE assign ( resid 112 and name HA ) ( resid 129 and name HG3 ) 5.5 3.9 0 !#SUP 2.96 GLU LYS assign ( resid 112 and name HB3 ) ( resid 129 and name HA ) 4.28 2.68 0 !#SUP 1.74 GLU LYS assign ( resid 112 and name HG2 ) ( resid 129 and name HG2 ) 5.5 3.9 0 !#SUP 2.96 GLU LYS assign ( resid 112 and name HG2 ) ( resid 129 and name HG3 ) 4.73 3.13 0 !#SUP 4 GLU LYS assign ( resid 112 and name HG2 ) ( resid 129 and name HA ) 4.89 3.29 0 !#SUP 4.82 GLU LYS assign ( resid 112 and name HG3 ) ( resid 129 and name HE3 ) 5.47 3.87 0 !#SUP 3.45 GLU LYS assign ( resid 112 and name HG3 ) ( resid 129 and name HB3 ) 4 2.4 0 !#SUP 4.48 GLU LYS assign ( resid 112 and name HG3 ) ( resid 129 and name HD* ) 4.37 2.77 0 !#SUP 4.47 GLU LYS assign ( resid 112 and name HG3 ) ( resid 129 and name HG3 ) 4.46 2.86 0 !#SUP 7.7 GLU LYS assign ( resid 112 and name HG3 ) ( resid 129 and name HG2 ) 4.74 3.14 0 !#SUP 6.44 GLU LYS assign ( resid 112 and name HG3 ) ( resid 129 and name HA ) 4.53 2.93 0 !#SUP 8.06 GLU LYS assign ( resid 112 and name HA ) ( resid 130 and name HN ) 4.99 3.39 0 !#SUP 2 GLU LYS assign ( resid 112 and name HG3 ) ( resid 130 and name HN ) 5.29 3.69 0 !#SUP 5.87 GLU LYS assign ( resid 113 and name HA ) ( resid 113 and name HG ) 4.14 2.54 0 !#SUP 6.68 LEU LEU assign ( resid 113 and name HA ) ( resid 113 and name HD1* ) 3.79 2.19 0 !#SUP 6.73 LEU LEU assign ( resid 113 and name HA ) ( resid 113 and name HD2* ) 5.05 3.45 0 !#SUP 6.73 LEU LEU assign ( resid 113 and name HB2 ) ( resid 113 and name HD2* ) 3.64 2.04 0 !#SUP 6.63 LEU LEU assign ( resid 113 and name HB3 ) ( resid 113 and name HD1* ) 3.82 2.22 0 !#SUP 6 LEU LEU assign ( resid 113 and name HB3 ) ( resid 113 and name HD2* ) 3.85 2.25 0 !#SUP 6 LEU LEU assign ( resid 113 and name HN ) ( resid 113 and name HB2 ) 3.74 2.14 0 !#SUP 7.92 LEU LEU assign ( resid 113 and name HN ) ( resid 113 and name HB3 ) 3.94 2.34 0 !#SUP 7.06 LEU LEU assign ( resid 113 and name HN ) ( resid 113 and name HG ) 4.71 3.11 0 !#SUP 7 LEU LEU assign ( resid 113 and name HN ) ( resid 113 and name HD1* ) 4.69 3.09 0 !#SUP 7.06 LEU LEU assign ( resid 113 and name HN ) ( resid 113 and name HD2* ) 4.69 3.09 0 !#SUP 7.06 LEU LEU assign ( resid 113 and name HA ) ( resid 114 and name HN ) 3.23 1.63 0 !#SUP 8.48 LEU VAL assign ( resid 113 and name HA ) ( resid 114 and name HG1* ) 5.29 3.69 0 !#SUP 5.28 LEU VAL assign ( resid 113 and name HA ) ( resid 114 and name HB ) 5.33 3.73 0 !#SUP 5.16 LEU VAL assign ( resid 113 and name HB2 ) ( resid 114 and name HG1* ) 5.5 3.9 0 !#SUP 4.06 LEU VAL assign ( resid 113 and name HB2 ) ( resid 114 and name HN ) 5.5 3.9 0 !#SUP 7.87 LEU VAL assign ( resid 113 and name HB3 ) ( resid 114 and name HN ) 4.77 3.17 0 !#SUP 7.34 LEU VAL assign ( resid 113 and name HD1* ) ( resid 114 and name HN ) 3.75 2.15 0 !#SUP 8 LEU VAL assign ( resid 113 and name HD2* ) ( resid 114 and name HN ) 4.53 2.93 0 !#SUP 8.32 LEU VAL assign ( resid 113 and name HG ) ( resid 114 and name HN ) 4.19 2.59 0 !#SUP 7.54 LEU VAL assign ( resid 113 and name HN ) ( resid 114 and name HN ) 4.96 3.36 0 !#SUP 7.34 LEU VAL assign ( resid 113 and name HD1* ) ( resid 115 and name HN ) 5.5 3.9 0 !#SUP 3.64 LEU GLN assign ( resid 113 and name HD1* ) ( resid 115 and name HA ) 5.5 3.9 0 !#SUP 2.22 LEU GLN assign ( resid 113 and name HD2* ) ( resid 115 and name HN ) 5.5 3.9 0 !#SUP 3.82 LEU GLN assign ( resid 113 and name HD2* ) ( resid 115 and name HB3 ) 4.54 2.94 0 !#SUP 1.22 LEU GLN assign ( resid 113 and name HN ) ( resid 127 and name HA ) 5.29 3.69 0 !#SUP 2.65 LEU ILE assign ( resid 113 and name HN ) ( resid 127 and name HG2* ) 4.35 2.75 0 !#SUP 4.67 LEU ILE assign ( resid 113 and name HA ) ( resid 128 and name HB2 ) 5.5 3.9 0 !#SUP 5.35 LEU PHE assign ( resid 113 and name HB2 ) ( resid 128 and name HB3 ) 4.16 2.56 0 !#SUP 6.18 LEU PHE assign ( resid 113 and name HB2 ) ( resid 128 and name HD* ) 4.82 3.22 0 !#SUP 7.32 LEU PHE assign ( resid 113 and name HB2 ) ( resid 128 and name HN ) 5.23 3.63 0 !#SUP 6.79 LEU PHE assign ( resid 113 and name HB2 ) ( resid 128 and name HB2 ) 4.25 2.65 0 !#SUP 7.94 LEU PHE assign ( resid 113 and name HB3 ) ( resid 128 and name HB3 ) 5.12 3.52 0 !#SUP 6.18 LEU PHE assign ( resid 113 and name HB3 ) ( resid 128 and name HN ) 4.95 3.35 0 !#SUP 6.79 LEU PHE assign ( resid 113 and name HB3 ) ( resid 128 and name HB2 ) 4.32 2.72 0 !#SUP 7.94 LEU PHE assign ( resid 113 and name HB3 ) ( resid 128 and name HD* ) 5.11 3.51 0 !#SUP 7.49 LEU PHE assign ( resid 113 and name HD2* ) ( resid 128 and name HB2 ) 4.09 2.49 0 !#SUP 7.79 LEU PHE assign ( resid 113 and name HD2* ) ( resid 128 and name HN ) 5.04 3.44 0 !#SUP 6.66 LEU PHE assign ( resid 113 and name HD2* ) ( resid 128 and name HD* ) 3.66 2.06 0 !#SUP 7.17 LEU PHE assign ( resid 113 and name HG ) ( resid 128 and name HB2 ) 4.68 3.08 0 !#SUP 6.53 LEU PHE assign ( resid 113 and name HG ) ( resid 128 and name HD* ) 4.6 3 0 !#SUP 5.52 LEU PHE assign ( resid 113 and name HN ) ( resid 128 and name HN ) 4.2 2.6 0 !#SUP 8.84 LEU PHE assign ( resid 113 and name HN ) ( resid 128 and name HB2 ) 4.31 2.71 0 !#SUP 8.66 LEU PHE assign ( resid 113 and name HN ) ( resid 129 and name HN ) 5.41 3.81 0 !#SUP 2.76 LEU LYS assign ( resid 113 and name HN ) ( resid 129 and name HA ) 4.97 3.37 0 !#SUP 4.19 LEU LYS assign ( resid 114 and name HA ) ( resid 114 and name HG1* ) 3.81 2.21 0 !#SUP 4.89 VAL VAL assign ( resid 114 and name HA ) ( resid 114 and name HG2* ) 3.7 2.1 0 !#SUP 4.13 VAL VAL assign ( resid 114 and name HN ) ( resid 114 and name HB ) 3.52 1.92 0 !#SUP 5.77 VAL VAL assign ( resid 114 and name HN ) ( resid 114 and name HG1* ) 3.56 1.96 0 !#SUP 6.83 VAL VAL assign ( resid 114 and name HA ) ( resid 115 and name HB2 ) 4.38 2.78 0 !#SUP 4.6 VAL GLN assign ( resid 114 and name HA ) ( resid 115 and name HN ) 3.24 1.64 0 !#SUP 5.42 VAL GLN assign ( resid 114 and name HG1* ) ( resid 115 and name HN ) 4.67 3.07 0 !#SUP 4.37 VAL GLN assign ( resid 114 and name HG2* ) ( resid 115 and name HN ) 3.68 2.08 0 !#SUP 6.15 VAL GLN assign ( resid 114 and name HG2* ) ( resid 115 and name HA ) 5.5 3.9 0 !#SUP 5.15 VAL GLN assign ( resid 114 and name HG2* ) ( resid 116 and name HN ) 5.44 3.84 0 !#SUP 3.17 VAL THR assign ( resid 114 and name HG2* ) ( resid 125 and name HB2 ) 5.26 3.66 0 !#SUP 3.71 VAL LYS assign ( resid 114 and name HG2* ) ( resid 125 and name HG2 ) 5.5 3.9 0 !#SUP 2.33 VAL LYS assign ( resid 114 and name HG2* ) ( resid 125 and name HG3 ) 4.67 3.07 0 !#SUP 2.34 VAL LYS assign ( resid 114 and name HG2* ) ( resid 125 and name HB3 ) 3.48 1.88 0 !#SUP 2.58 VAL LYS assign ( resid 114 and name HA ) ( resid 127 and name HG12 ) 4.53 2.93 0 !#SUP 5.99 VAL ILE assign ( resid 114 and name HA ) ( resid 127 and name HG13 ) 4.9 3.3 0 !#SUP 5.91 VAL ILE assign ( resid 114 and name HA ) ( resid 127 and name HA ) 3.71 2.11 0 !#SUP 5.13 VAL ILE assign ( resid 114 and name HB ) ( resid 127 and name HG12 ) 5.5 3.9 0 !#SUP 3.06 VAL ILE assign ( resid 114 and name HG1* ) ( resid 127 and name HG12 ) 2.95 1.35 0 !#SUP 2.51 VAL ILE assign ( resid 114 and name HG2* ) ( resid 127 and name HG13 ) 3.36 1.76 0 !#SUP 2.18 VAL ILE assign ( resid 114 and name HA ) ( resid 128 and name HN ) 4.46 2.86 0 !#SUP 7.65 VAL PHE assign ( resid 114 and name HA ) ( resid 128 and name HD* ) 4.5 2.9 0 !#SUP 6.51 VAL PHE assign ( resid 115 and name HA ) ( resid 115 and name HG3 ) 3.9 2.3 0 !#SUP 6 GLN GLN assign ( resid 115 and name HB2 ) ( resid 115 and name HE22 ) 5.5 3.9 0 !#SUP 4.52 GLN GLN assign ( resid 115 and name HN ) ( resid 115 and name HB2 ) 4.2 2.6 0 !#SUP 6.12 GLN GLN assign ( resid 115 and name HA ) ( resid 116 and name HN ) 3.38 1.78 0 !#SUP 7.22 GLN THR assign ( resid 115 and name HA ) ( resid 116 and name HB ) 5.29 3.69 0 !#SUP 3.92 GLN THR assign ( resid 115 and name HB2 ) ( resid 116 and name HN ) 5.25 3.65 0 !#SUP 6.43 GLN THR assign ( resid 115 and name HG2 ) ( resid 116 and name HN ) 4.62 3.02 0 !#SUP 5.82 GLN THR assign ( resid 115 and name HG3 ) ( resid 116 and name HN ) 4.55 2.95 0 !#SUP 7.52 GLN THR assign ( resid 115 and name HN ) ( resid 116 and name HN ) 4.68 3.08 0 !#SUP 6.31 GLN THR assign ( resid 115 and name HG3 ) ( resid 117 and name QR ) 5.39 3.79 0 !#SUP 1 GLN TYR assign ( resid 115 and name HB3 ) ( resid 125 and name HA ) 5.5 3.9 0 !#SUP 1.59 GLN LYS assign ( resid 115 and name HN ) ( resid 125 and name HA ) 5.39 3.79 0 !#SUP 3.45 GLN LYS assign ( resid 115 and name HN ) ( resid 126 and name HN ) 4.09 2.49 0 !#SUP 4.68 GLN ARG assign ( resid 115 and name HN ) ( resid 127 and name HG13 ) 5.36 3.76 0 !#SUP 6.78 GLN ILE assign ( resid 115 and name HN ) ( resid 127 and name HA ) 4.37 2.77 0 !#SUP 5.14 GLN ILE assign ( resid 115 and name HB2 ) ( resid 128 and name HD* ) 5.5 3.9 0 !#SUP 2.64 GLN PHE assign ( resid 115 and name HN ) ( resid 128 and name HN ) 5.15 3.55 0 !#SUP 5.2 GLN PHE assign ( resid 115 and name HN ) ( resid 128 and name HD* ) 5.12 3.52 0 !#SUP 4.58 GLN PHE assign ( resid 116 and name HA ) ( resid 116 and name HG2* ) 3.7 2.1 0 !#SUP 3.15 THR THR assign ( resid 116 and name HN ) ( resid 116 and name HB ) 4.02 2.42 0 !#SUP 5.88 THR THR assign ( resid 116 and name HN ) ( resid 116 and name HG2* ) 4.31 2.71 0 !#SUP 5.55 THR THR assign ( resid 116 and name HA ) ( resid 117 and name HN ) 3.26 1.66 0 !#SUP 5.06 THR TYR assign ( resid 116 and name HB ) ( resid 117 and name HN ) 4.43 2.83 0 !#SUP 5.06 THR TYR assign ( resid 116 and name HG2* ) ( resid 117 and name HN ) 3.36 1.76 0 !#SUP 6.15 THR TYR assign ( resid 116 and name HN ) ( resid 117 and name HN ) 5.5 3.9 0 !#SUP 5.79 THR TYR assign ( resid 116 and name HN ) ( resid 117 and name QR ) 5.5 3.9 0 !#SUP 4.38 THR TYR assign ( resid 116 and name HG2* ) ( resid 118 and name HN ) 5.5 3.9 0 !#SUP 2.4 THR VAL assign ( resid 116 and name HG2* ) ( resid 123 and name HN ) 5.5 3.9 0 !#SUP 2.07 THR GLU assign ( resid 116 and name HG2* ) ( resid 123 and name HG3 ) 4.4 2.8 0 !#SUP 2.45 THR GLU assign ( resid 116 and name HG2* ) ( resid 123 and name HG2 ) 3.69 2.09 0 !#SUP 4.1 THR GLU assign ( resid 116 and name HG2* ) ( resid 123 and name HB2 ) 4.25 2.65 0 !#SUP 3.98 THR GLU assign ( resid 116 and name HA ) ( resid 124 and name HN ) 5.23 3.63 0 !#SUP 4.24 THR ALA assign ( resid 116 and name HG2* ) ( resid 124 and name HN ) 4.58 2.98 0 !#SUP 6.52 THR ALA assign ( resid 116 and name HA ) ( resid 125 and name HB3 ) 5.27 3.67 0 !#SUP 2.86 THR LYS assign ( resid 116 and name HA ) ( resid 125 and name HG2 ) 4.22 2.62 0 !#SUP 2.35 THR LYS assign ( resid 116 and name HA ) ( resid 125 and name HA ) 3.68 2.08 0 !#SUP 7.47 THR LYS assign ( resid 116 and name HG2* ) ( resid 125 and name HA ) 4.37 2.77 0 !#SUP 3.87 THR LYS assign ( resid 116 and name HA ) ( resid 126 and name HN ) 4.71 3.11 0 !#SUP 3.43 THR ARG assign ( resid 117 and name HA ) ( resid 117 and name QR ) 4.87 3.27 0 !#SUP 5.91 TYR TYR assign ( resid 117 and name HA ) ( resid 117 and name HD* ) 3.68 2.08 0 !#SUP 4.97 TYR TYR assign ( resid 117 and name HN ) ( resid 117 and name QR ) 4.34 2.74 0 !#SUP 8.41 TYR TYR assign ( resid 117 and name HN ) ( resid 117 and name HB3 ) 4.09 2.49 0 !#SUP 7.4 TYR TYR assign ( resid 117 and name HN ) ( resid 117 and name HD* ) 3.38 1.78 0 !#SUP 6.94 TYR TYR assign ( resid 117 and name HA ) ( resid 118 and name HN ) 3.17 1.57 0 !#SUP 7.01 TYR VAL assign ( resid 117 and name HA ) ( resid 118 and name HA ) 4.78 3.18 0 !#SUP 4.39 TYR VAL assign ( resid 117 and name HA ) ( resid 118 and name HB ) 5.5 3.9 0 !#SUP 5.32 TYR VAL assign ( resid 117 and name HB2 ) ( resid 118 and name HN ) 3.83 2.23 0 !#SUP 5.75 TYR VAL assign ( resid 117 and name HB3 ) ( resid 118 and name HN ) 4.99 3.39 0 !#SUP 5.75 TYR VAL assign ( resid 117 and name HN ) ( resid 118 and name HN ) 4.99 3.39 0 !#SUP 7.43 TYR VAL assign ( resid 117 and name QR ) ( resid 118 and name HN ) 5 3.4 0 !#SUP 5.41 TYR VAL assign ( resid 117 and name HN ) ( resid 123 and name HA ) 4.78 3.18 0 !#SUP 5.08 TYR GLU assign ( resid 117 and name HN ) ( resid 123 and name HG2 ) 5.5 3.9 0 !#SUP 5.3 TYR GLU assign ( resid 117 and name HB2 ) ( resid 124 and name HN ) 5.5 3.9 0 !#SUP 4.82 TYR ALA assign ( resid 117 and name HB2 ) ( resid 124 and name HB* ) 5.47 3.87 0 !#SUP 4.15 TYR ALA assign ( resid 117 and name HB3 ) ( resid 124 and name HN ) 4.24 2.64 0 !#SUP 5.15 TYR ALA assign ( resid 117 and name HB3 ) ( resid 124 and name HB* ) 4.28 2.68 0 !#SUP 5.12 TYR ALA assign ( resid 117 and name HN ) ( resid 124 and name HN ) 3.61 2.01 0 !#SUP 9.97 TYR ALA assign ( resid 117 and name HN ) ( resid 124 and name HB* ) 4.62 3.02 0 !#SUP 8.57 TYR ALA assign ( resid 117 and name QR ) ( resid 124 and name HN ) 5.18 3.58 0 !#SUP 6.08 TYR ALA assign ( resid 117 and name QR ) ( resid 124 and name HB* ) 3.97 2.37 0 !#SUP 6.31 TYR ALA assign ( resid 117 and name HD* ) ( resid 125 and name HA ) 4.35 2.75 0 !#SUP 2.69 TYR LYS assign ( resid 117 and name HN ) ( resid 125 and name HN ) 5.37 3.77 0 !#SUP 4.46 TYR LYS assign ( resid 117 and name HN ) ( resid 125 and name HB2 ) 5.5 3.9 0 !#SUP 2.07 TYR LYS assign ( resid 117 and name HN ) ( resid 125 and name HA ) 3.96 2.36 0 !#SUP 8.17 TYR LYS assign ( resid 117 and name QR ) ( resid 125 and name HN ) 5.5 3.9 0 !#SUP 4.22 TYR LYS assign ( resid 117 and name QR ) ( resid 125 and name HA ) 5.5 3.9 0 !#SUP 7.22 TYR LYS assign ( resid 117 and name QR ) ( resid 126 and name HN ) 4.92 3.32 0 !#SUP 2.4 TYR ARG assign ( resid 117 and name QR ) ( resid 126 and name HB3 ) 5.5 3.9 0 !#SUP 1.22 TYR ARG assign ( resid 118 and name HA ) ( resid 118 and name HG1* ) 3.19 1.59 0 !#SUP 3.03 VAL VAL assign ( resid 118 and name HN ) ( resid 118 and name HB ) 3.48 1.88 0 !#SUP 5.62 VAL VAL assign ( resid 118 and name HN ) ( resid 118 and name HG2* ) 4.16 2.56 0 !#SUP 3.91 VAL VAL assign ( resid 118 and name HA ) ( resid 119 and name HN ) 2.97 1.37 0 !#SUP 3.62 VAL TYR assign ( resid 118 and name HB ) ( resid 119 and name HN ) 4.38 2.78 0 !#SUP 4.09 VAL TYR assign ( resid 118 and name HG1* ) ( resid 119 and name HN ) 3.22 1.62 0 !#SUP 3.74 VAL TYR assign ( resid 118 and name HG1* ) ( resid 120 and name HA ) 5.5 3.9 0 !#SUP 2.05 VAL GLU assign ( resid 118 and name HA ) ( resid 121 and name HN ) 5.43 3.83 0 !#SUP 3.41 VAL GLY assign ( resid 118 and name HG1* ) ( resid 121 and name HA2 ) 4.66 3.06 0 !#SUP 2.46 VAL GLY assign ( resid 118 and name HG1* ) ( resid 121 and name HA3 ) 4.8 3.2 0 !#SUP 2.04 VAL GLY assign ( resid 118 and name HG1* ) ( resid 121 and name HN ) 3.49 1.89 0 !#SUP 5.42 VAL GLY assign ( resid 118 and name HA ) ( resid 122 and name HN ) 5 3.4 0 !#SUP 4.8 VAL VAL assign ( resid 118 and name HA ) ( resid 122 and name HB ) 5.24 3.64 0 !#SUP 4.83 VAL VAL assign ( resid 118 and name HA ) ( resid 123 and name HN ) 5.5 3.9 0 !#SUP 3.47 VAL GLU assign ( resid 118 and name HA ) ( resid 123 and name HB2 ) 3.93 2.33 0 !#SUP 3.46 VAL GLU assign ( resid 118 and name HA ) ( resid 123 and name HA ) 3.52 1.92 0 !#SUP 6.8 VAL GLU assign ( resid 118 and name HA ) ( resid 123 and name HG2 ) 5.41 3.81 0 !#SUP 5.16 VAL GLU assign ( resid 118 and name HG1* ) ( resid 123 and name HA ) 3.52 1.92 0 !#SUP 4.92 VAL GLU assign ( resid 118 and name HG1* ) ( resid 123 and name HG2 ) 3.41 1.81 0 !#SUP 3.24 VAL GLU assign ( resid 118 and name HA ) ( resid 124 and name HN ) 4.17 2.57 0 !#SUP 5.57 VAL ALA assign ( resid 118 and name HG1* ) ( resid 124 and name HB* ) 5.5 3.9 0 !#SUP 3.6 VAL ALA assign ( resid 119 and name HA ) ( resid 119 and name HD* ) 3.57 1.97 0 !#SUP 5.21 TYR TYR assign ( resid 119 and name HN ) ( resid 119 and name HB2 ) 4.13 2.53 0 !#SUP 5.09 TYR TYR assign ( resid 119 and name HN ) ( resid 119 and name HB3 ) 3.96 2.36 0 !#SUP 4.83 TYR TYR assign ( resid 119 and name HA ) ( resid 120 and name HG3 ) 5.5 3.9 0 !#SUP 7.2 TYR GLU assign ( resid 119 and name HA ) ( resid 120 and name HN ) 3.13 1.53 0 !#SUP 7.52 TYR GLU assign ( resid 119 and name HB2 ) ( resid 120 and name HN ) 4.83 3.23 0 !#SUP 6.34 TYR GLU assign ( resid 119 and name HB3 ) ( resid 120 and name HN ) 5.5 3.9 0 !#SUP 5.89 TYR GLU assign ( resid 119 and name HD* ) ( resid 120 and name HB2 ) 4.82 3.22 0 !#SUP 5.2 TYR GLU assign ( resid 119 and name HD* ) ( resid 120 and name HG3 ) 4.27 2.67 0 !#SUP 6.35 TYR GLU assign ( resid 119 and name HD* ) ( resid 120 and name HN ) 3.88 2.28 0 !#SUP 7.08 TYR GLU assign ( resid 119 and name HE* ) ( resid 120 and name HG3 ) 4.46 2.86 0 !#SUP 5.23 TYR GLU assign ( resid 119 and name HE* ) ( resid 120 and name HB2 ) 4.95 3.35 0 !#SUP 4.61 TYR GLU assign ( resid 119 and name HE* ) ( resid 120 and name HG2 ) 3.88 2.28 0 !#SUP 3.72 TYR GLU assign ( resid 119 and name HN ) ( resid 120 and name HN ) 4.65 3.05 0 !#SUP 6.95 TYR GLU assign ( resid 119 and name HA ) ( resid 121 and name HN ) 4.62 3.02 0 !#SUP 5.7 TYR GLY assign ( resid 119 and name HN ) ( resid 121 and name HN ) 4.71 3.11 0 !#SUP 8.13 TYR GLY assign ( resid 119 and name HA ) ( resid 122 and name HN ) 5.38 3.78 0 !#SUP 5.47 TYR VAL assign ( resid 119 and name HA ) ( resid 122 and name QQG ) 5.5 3.9 0 !#SUP 2.63 TYR VAL assign ( resid 119 and name HN ) ( resid 122 and name HB ) 4.33 2.73 0 !#SUP 4.26 TYR VAL assign ( resid 119 and name HN ) ( resid 122 and name HN ) 3.54 1.94 0 !#SUP 7.99 TYR VAL assign ( resid 119 and name HN ) ( resid 122 and name QQG ) 4.41 2.81 0 !#SUP 4.01 TYR VAL assign ( resid 119 and name HN ) ( resid 123 and name HA ) 4.06 2.46 0 !#SUP 4.23 TYR GLU assign ( resid 119 and name HN ) ( resid 124 and name HN ) 5.05 3.45 0 !#SUP 2 TYR ALA assign ( resid 120 and name HA ) ( resid 120 and name HG2 ) 4.19 2.59 0 !#SUP 5.73 GLU GLU assign ( resid 120 and name HA ) ( resid 120 and name HG3 ) 3.86 2.26 0 !#SUP 6.63 GLU GLU assign ( resid 120 and name HN ) ( resid 120 and name HG2 ) 3.95 2.35 0 !#SUP 7.4 GLU GLU assign ( resid 120 and name HN ) ( resid 120 and name HG3 ) 3.86 2.26 0 !#SUP 9.06 GLU GLU assign ( resid 120 and name HA ) ( resid 121 and name HN ) 3.25 1.65 0 !#SUP 7.56 GLU GLY assign ( resid 120 and name HA ) ( resid 121 and name HA2 ) 5.5 3.9 0 !#SUP 5.26 GLU GLY assign ( resid 120 and name HB2 ) ( resid 121 and name HN ) 5 3.4 0 !#SUP 7.17 GLU GLY assign ( resid 120 and name HB3 ) ( resid 121 and name HN ) 4.62 3.02 0 !#SUP 6.71 GLU GLY assign ( resid 120 and name HG3 ) ( resid 121 and name HN ) 5.13 3.53 0 !#SUP 7.39 GLU GLY assign ( resid 120 and name HN ) ( resid 121 and name HN ) 3.72 2.12 0 !#SUP 8.09 GLU GLY assign ( resid 120 and name HA ) ( resid 122 and name HN ) 4.78 3.18 0 !#SUP 7.38 GLU VAL assign ( resid 120 and name HA ) ( resid 122 and name QQG ) 5.44 3.84 0 !#SUP 2.34 GLU VAL assign ( resid 120 and name HB2 ) ( resid 122 and name HN ) 4.85 3.25 0 !#SUP 5.98 GLU VAL assign ( resid 120 and name HB3 ) ( resid 122 and name HN ) 4.75 3.15 0 !#SUP 5.17 GLU VAL assign ( resid 120 and name HN ) ( resid 122 and name HN ) 5.05 3.45 0 !#SUP 6.46 GLU VAL assign ( resid 121 and name HN ) ( resid 122 and name HB ) 4.98 3.38 0 !#SUP 2.19 GLY VAL assign ( resid 122 and name HA ) ( resid 122 and name QQG ) 3.04 1.44 0 !#SUP 3.74 VAL VAL assign ( resid 122 and name HN ) ( resid 122 and name HB ) 3.04 1.44 0 !#SUP 3.44 VAL VAL assign ( resid 122 and name HN ) ( resid 122 and name QQG ) 3.13 1.53 0 !#SUP 3.13 VAL VAL assign ( resid 122 and name HA ) ( resid 123 and name HB3 ) 4.71 3.11 0 !#SUP 4.21 VAL GLU assign ( resid 122 and name HA ) ( resid 123 and name HN ) 2.75 1.15 0 !#SUP 6.16 VAL GLU assign ( resid 122 and name HA ) ( resid 123 and name HA ) 5.04 3.44 0 !#SUP 6.46 VAL GLU assign ( resid 122 and name HB ) ( resid 123 and name HN ) 4.41 2.81 0 !#SUP 3.62 VAL GLU assign ( resid 122 and name QQG ) ( resid 123 and name HN ) 3.41 1.81 0 !#SUP 3.62 VAL GLU assign ( resid 122 and name HA ) ( resid 124 and name HN ) 5.37 3.77 0 !#SUP 4.07 VAL ALA assign ( resid 122 and name HA ) ( resid 124 and name HB* ) 5.5 3.9 0 !#SUP 2.73 VAL ALA assign ( resid 123 and name HA ) ( resid 123 and name HG2 ) 4.12 2.52 0 !#SUP 5.3 GLU GLU assign ( resid 123 and name HN ) ( resid 123 and name HB2 ) 3.21 1.61 0 !#SUP 3.96 GLU GLU assign ( resid 123 and name HN ) ( resid 123 and name HB3 ) 3.43 1.83 0 !#SUP 4.48 GLU GLU assign ( resid 123 and name HA ) ( resid 124 and name HN ) 2.92 1.32 0 !#SUP 6.2 GLU ALA assign ( resid 123 and name HA ) ( resid 124 and name HB* ) 5.5 3.9 0 !#SUP 4.43 GLU ALA assign ( resid 123 and name HG2 ) ( resid 124 and name HN ) 4.01 2.41 0 !#SUP 4.19 GLU ALA assign ( resid 123 and name HG3 ) ( resid 124 and name HN ) 3.89 2.29 0 !#SUP 4.1 GLU ALA assign ( resid 123 and name HG3 ) ( resid 124 and name HA ) 5.45 3.85 0 !#SUP 2.08 GLU ALA assign ( resid 123 and name HN ) ( resid 124 and name HN ) 4.69 3.09 0 !#SUP 4.3 GLU ALA assign ( resid 124 and name HN ) ( resid 124 and name HB* ) 3.58 1.98 0 !#SUP 4.54 ALA ALA assign ( resid 124 and name HA ) ( resid 125 and name HN ) 3.16 1.56 0 !#SUP 3.32 ALA LYS assign ( resid 124 and name HB* ) ( resid 125 and name HA ) 5.18 3.58 0 !#SUP 3.15 ALA LYS assign ( resid 124 and name HB* ) ( resid 125 and name HN ) 3.37 1.77 0 !#SUP 3.92 ALA LYS assign ( resid 124 and name HN ) ( resid 125 and name HN ) 4.69 3.09 0 !#SUP 3.32 ALA LYS assign ( resid 125 and name HB3 ) ( resid 125 and name HG3 ) 2.77 1.17 0 !#SUP 3.65 LYS LYS assign ( resid 125 and name HN ) ( resid 125 and name HG2 ) 5.5 3.9 0 !#SUP 4.37 LYS LYS assign ( resid 125 and name HA ) ( resid 126 and name HN ) 3.49 1.89 0 !#SUP 4.47 LYS ARG assign ( resid 125 and name HB2 ) ( resid 126 and name HN ) 4.6 3 0 !#SUP 3.67 LYS ARG assign ( resid 125 and name HB3 ) ( resid 126 and name HN ) 4.29 2.69 0 !#SUP 4 LYS ARG assign ( resid 126 and name HA ) ( resid 126 and name HE ) 5.5 3.9 0 !#SUP 4.4 ARG ARG assign ( resid 126 and name HA ) ( resid 126 and name HD3 ) 4.36 2.76 0 !#SUP 7.13 ARG ARG assign ( resid 126 and name HA ) ( resid 126 and name HD2 ) 4.44 2.84 0 !#SUP 7.13 ARG ARG assign ( resid 126 and name HN ) ( resid 126 and name HG3 ) 5.47 3.87 0 !#SUP 5.04 ARG ARG assign ( resid 126 and name HA ) ( resid 127 and name HN ) 3.33 1.73 0 !#SUP 5.02 ARG ILE assign ( resid 126 and name HA ) ( resid 127 and name HD1* ) 4.86 3.26 0 !#SUP 4.32 ARG ILE assign ( resid 127 and name HA ) ( resid 127 and name HG13 ) 4.2 2.6 0 !#SUP 6.44 ILE ILE assign ( resid 127 and name HA ) ( resid 127 and name HG12 ) 4.13 2.53 0 !#SUP 5.88 ILE ILE assign ( resid 127 and name HA ) ( resid 127 and name HG2* ) 3.62 2.02 0 !#SUP 6.03 ILE ILE assign ( resid 127 and name HA ) ( resid 127 and name HD1* ) 4.77 3.17 0 !#SUP 5.63 ILE ILE assign ( resid 127 and name HB ) ( resid 127 and name HD1* ) 3.36 1.76 0 !#SUP 5.21 ILE ILE assign ( resid 127 and name HG2* ) ( resid 127 and name HG13 ) 3.73 2.13 0 !#SUP 5.48 ILE ILE assign ( resid 127 and name HG2* ) ( resid 127 and name HG12 ) 3.65 2.05 0 !#SUP 4.92 ILE ILE assign ( resid 127 and name HN ) ( resid 127 and name HB ) 3.35 1.75 0 !#SUP 6.77 ILE ILE assign ( resid 127 and name HN ) ( resid 127 and name HG13 ) 4.2 2.6 0 !#SUP 6.62 ILE ILE assign ( resid 127 and name HN ) ( resid 127 and name HG12 ) 4.59 2.99 0 !#SUP 6.06 ILE ILE assign ( resid 127 and name HN ) ( resid 127 and name HG2* ) 4.34 2.74 0 !#SUP 6.26 ILE ILE assign ( resid 127 and name HN ) ( resid 127 and name HD1* ) 4.04 2.44 0 !#SUP 6.18 ILE ILE assign ( resid 127 and name HA ) ( resid 128 and name HN ) 3.31 1.71 0 !#SUP 7.19 ILE PHE assign ( resid 127 and name HA ) ( resid 128 and name HD* ) 4.03 2.43 0 !#SUP 5.94 ILE PHE assign ( resid 127 and name HB ) ( resid 128 and name HN ) 5.31 3.71 0 !#SUP 6.57 ILE PHE assign ( resid 127 and name HG13 ) ( resid 128 and name HN ) 4.83 3.23 0 !#SUP 6.53 ILE PHE assign ( resid 127 and name HG2* ) ( resid 128 and name HN ) 3.67 2.07 0 !#SUP 7.5 ILE PHE assign ( resid 127 and name HN ) ( resid 128 and name HD* ) 5.5 3.9 0 !#SUP 5.52 ILE PHE assign ( resid 127 and name HN ) ( resid 128 and name HN ) 5.2 3.6 0 !#SUP 7.23 ILE PHE assign ( resid 127 and name HG2* ) ( resid 129 and name HN ) 5.5 3.9 0 !#SUP 2.46 ILE LYS assign ( resid 128 and name HA ) ( resid 128 and name HD* ) 3.83 2.23 0 !#SUP 5.21 PHE PHE assign ( resid 128 and name HN ) ( resid 128 and name HB2 ) 4.12 2.52 0 !#SUP 5.89 PHE PHE assign ( resid 128 and name HN ) ( resid 128 and name HD* ) 3.16 1.56 0 !#SUP 7.34 PHE PHE assign ( resid 128 and name HA ) ( resid 129 and name HN ) 3.19 1.59 0 !#SUP 6.66 PHE LYS assign ( resid 128 and name HA ) ( resid 129 and name HB3 ) 4.83 3.23 0 !#SUP 4.96 PHE LYS assign ( resid 128 and name HB2 ) ( resid 129 and name HN ) 4.79 3.19 0 !#SUP 6.33 PHE LYS assign ( resid 128 and name HB3 ) ( resid 129 and name HN ) 4.02 2.42 0 !#SUP 6.33 PHE LYS assign ( resid 128 and name HD* ) ( resid 129 and name HN ) 4.82 3.22 0 !#SUP 6.48 PHE LYS assign ( resid 128 and name HN ) ( resid 129 and name HN ) 4.97 3.37 0 !#SUP 6.99 PHE LYS assign ( resid 129 and name HA ) ( resid 129 and name HD* ) 4.41 2.81 0 !#SUP 6.83 LYS LYS assign ( resid 129 and name HA ) ( resid 129 and name HG2 ) 4.19 2.59 0 !#SUP 6.76 LYS LYS assign ( resid 129 and name HA ) ( resid 129 and name HG3 ) 3.69 2.09 0 !#SUP 7.08 LYS LYS assign ( resid 129 and name HB2 ) ( resid 129 and name HE2 ) 5.28 3.68 0 !#SUP 5.09 LYS LYS assign ( resid 129 and name HB2 ) ( resid 129 and name HD* ) 3.48 1.88 0 !#SUP 7.07 LYS LYS assign ( resid 129 and name HB3 ) ( resid 129 and name HE3 ) 5.5 3.9 0 !#SUP 4.97 LYS LYS assign ( resid 129 and name HD* ) ( resid 129 and name HE3 ) 2.88 1.28 0 !#SUP 5.3 LYS LYS assign ( resid 129 and name HD* ) ( resid 129 and name HE2 ) 2.89 1.29 0 !#SUP 5.49 LYS LYS assign ( resid 129 and name HG2 ) ( resid 129 and name HD* ) 2.81 1.21 0 !#SUP 7.66 LYS LYS assign ( resid 129 and name HN ) ( resid 129 and name HE2 ) 5.5 3.9 0 !#SUP 6.1 LYS LYS assign ( resid 129 and name HN ) ( resid 129 and name HB3 ) 3.72 2.12 0 !#SUP 8.38 LYS LYS assign ( resid 129 and name HN ) ( resid 129 and name HB2 ) 4.15 2.55 0 !#SUP 8.19 LYS LYS assign ( resid 129 and name HN ) ( resid 129 and name HG2 ) 4.79 3.19 0 !#SUP 8.36 LYS LYS assign ( resid 129 and name HN ) ( resid 129 and name HG3 ) 4.89 3.29 0 !#SUP 8.11 LYS LYS assign ( resid 129 and name HA ) ( resid 130 and name HN ) 2.99 1.39 0 !#SUP 9.51 LYS LYS assign ( resid 129 and name HA ) ( resid 130 and name HG3 ) 5.11 3.51 0 !#SUP 6.6 LYS LYS assign ( resid 129 and name HB2 ) ( resid 130 and name HN ) 3.9 2.3 0 !#SUP 9.4 LYS LYS assign ( resid 129 and name HB3 ) ( resid 130 and name HN ) 4.04 2.44 0 !#SUP 9.46 LYS LYS assign ( resid 129 and name HD* ) ( resid 130 and name HB2 ) 5.5 3.9 0 !#SUP 5.9 LYS LYS assign ( resid 129 and name HD* ) ( resid 130 and name HN ) 4.62 3.02 0 !#SUP 10 LYS LYS assign ( resid 129 and name HG2 ) ( resid 130 and name HN ) 3.3 1.7 0 !#SUP 9.26 LYS LYS assign ( resid 129 and name HG3 ) ( resid 130 and name HN ) 4.07 2.47 0 !#SUP 9.54 LYS LYS assign ( resid 129 and name HN ) ( resid 130 and name HN ) 4.93 3.33 0 !#SUP 8.53 LYS LYS assign ( resid 129 and name HD* ) ( resid 131 and name HA ) 5.24 3.64 0 !#SUP 2.92 LYS ASP assign ( resid 129 and name HE2 ) ( resid 131 and name HA ) 4.49 2.89 0 !#SUP 2.64 LYS ASP assign ( resid 130 and name HA ) ( resid 130 and name HE2 ) 4.99 3.39 0 !#SUP 8.83 LYS LYS assign ( resid 130 and name HA ) ( resid 130 and name HD3 ) 5.02 3.42 0 !#SUP 8.82 LYS LYS assign ( resid 130 and name HA ) ( resid 130 and name HD2 ) 5.5 3.9 0 !#SUP 8.65 LYS LYS assign ( resid 130 and name HA ) ( resid 130 and name HG3 ) 3.98 2.38 0 !#SUP 9.84 LYS LYS assign ( resid 130 and name HB2 ) ( resid 130 and name HE2 ) 5.5 3.9 0 !#SUP 8.6 LYS LYS assign ( resid 130 and name HB3 ) ( resid 130 and name HE3 ) 4.56 2.96 0 !#SUP 7.06 LYS LYS assign ( resid 130 and name HB3 ) ( resid 130 and name HE2 ) 5.5 3.9 0 !#SUP 8.44 LYS LYS assign ( resid 130 and name HG2 ) ( resid 130 and name HE2 ) 4.24 2.64 0 !#SUP 8 LYS LYS assign ( resid 130 and name HG3 ) ( resid 130 and name HE2 ) 3.99 2.39 0 !#SUP 8.88 LYS LYS assign ( resid 130 and name HG3 ) ( resid 130 and name HE3 ) 4.07 2.47 0 !#SUP 7.74 LYS LYS assign ( resid 130 and name HN ) ( resid 130 and name HE3 ) 5.5 3.9 0 !#SUP 8.96 LYS LYS assign ( resid 130 and name HN ) ( resid 130 and name HG2 ) 3.64 2.04 0 !#SUP 10 LYS LYS assign ( resid 130 and name HN ) ( resid 130 and name HG3 ) 3.95 2.35 0 !#SUP 10 LYS LYS assign ( resid 130 and name HN ) ( resid 130 and name HE2 ) 5.46 3.86 0 !#SUP 10 LYS LYS assign ( resid 130 and name HN ) ( resid 130 and name HB3 ) 3.45 1.85 0 !#SUP 10 LYS LYS assign ( resid 130 and name HN ) ( resid 130 and name HB2 ) 3.53 1.93 0 !#SUP 10 LYS LYS assign ( resid 130 and name HN ) ( resid 130 and name HD3 ) 4.86 3.26 0 !#SUP 10 LYS LYS assign ( resid 130 and name HA ) ( resid 131 and name HN ) 2.78 1.18 0 !#SUP 9.37 LYS ASP assign ( resid 130 and name HA ) ( resid 131 and name HB3 ) 5.39 3.79 0 !#SUP 5.93 LYS ASP assign ( resid 130 and name HA ) ( resid 131 and name HB2 ) 5.12 3.52 0 !#SUP 5.93 LYS ASP assign ( resid 130 and name HA ) ( resid 131 and name HA ) 4.93 3.33 0 !#SUP 7.53 LYS ASP assign ( resid 130 and name HB2 ) ( resid 131 and name HN ) 3.58 1.98 0 !#SUP 7.7 LYS ASP assign ( resid 130 and name HB2 ) ( resid 131 and name HA ) 4.44 2.84 0 !#SUP 6.16 LYS ASP assign ( resid 130 and name HB3 ) ( resid 131 and name HN ) 4.35 2.75 0 !#SUP 7.62 LYS ASP assign ( resid 130 and name HD2 ) ( resid 131 and name HN ) 5.43 3.83 0 !#SUP 7.22 LYS ASP assign ( resid 130 and name HG3 ) ( resid 131 and name HN ) 4.18 2.58 0 !#SUP 8.21 LYS ASP assign ( resid 130 and name HN ) ( resid 131 and name HN ) 4.65 3.05 0 !#SUP 7.38 LYS ASP assign ( resid 131 and name HN ) ( resid 131 and name HB3 ) 3.35 1.75 0 !#SUP 4.96 ASP ASP assign ( resid 131 and name HN ) ( resid 131 and name HB2 ) 3.39 1.79 0 !#SUP 4.96 ASP ASP assign ( resid 30 and name NH ) ( resid 1 and name H18* ) 4.49 2.89 0 assign ( resid 30 and name NH ) ( resid 1 and name H17* ) 5.86 4.26 0 assign ( resid 30 and name HD2* ) ( resid 1 and name H18* ) 3.59 1.99 0 assign ( resid 30 and name HD2* ) ( resid 1 and name H17* ) 4.68 3.08 0 assign ( resid 31 and name HB* ) ( resid 1 and name H18* ) 3.36 1.76 0 assign ( resid 31 and name HB* ) ( resid 1 and name H17* ) 4.56 2.96 0 assign ( resid 73 and name HB* ) ( resid 1 and name H18* ) 3.2 1.6 0 assign ( resid 74 and name NH ) ( resid 1 and name H18* ) 4 2.4 0 assign ( resid 74 and name NH ) ( resid 1 and name H17* ) 5.4 3.8 0 assign ( resid 82 and name HE1 ) ( resid 1 and name H2* ) 5.7 4.1 0 assign ( resid 82 and name HE1 ) ( resid 1 and name H3* ) 5.77 4.17 0 assign ( resid 82 and name HE1 ) ( resid 1 and name H3* ) 6.3 4.7 0 assign ( resid 82 and name HD1 ) ( resid 1 and name H2* ) 5.81 4.21 0 assign ( resid 82 and name HD1 ) ( resid 1 and name H2* ) 6.28 4.68 0 assign ( resid 82 and name HD1 ) ( resid 1 and name H3* ) 5.46 3.86 0 assign ( resid 82 and name HD1 ) ( resid 1 and name H3* ) 5.93 4.33 0 assign ( resid 82 and name HH2 ) ( resid 1 and name H2* ) 5.8 4.2 0 assign ( resid 68 and name HE* ) ( resid 1 and name H3* ) 6.15 4.55 0 assign ( resid 68 and name HE* ) ( resid 1 and name H3* ) 6.12 4.52 0
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