NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
473194 | 2jn9 | cing | 1-original | 6 | STAR | chemical shift |
save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 Met CA C 55.03 . 1 4222 1 Met CB C 33.8 . 1 4223 1 Met CG C 30.9 . 1 6500 1 Met CE C 16.9 . 1 6501 1 Met HE H 2.16 . 1 4226 1 Met HA H 4.11 . 1 4224 1 Met HB2 H 2.12 . 2 4225 1 Met HB3 H 2.12 . 2 4229 1 Met HG3 H 2.59 . 2 4228 1 Met HG2 H 2.59 . 2 7000 2 Val N N 125.8 . 1 7001 2 Val H H 8.44 . 1 7002 2 Val CA C 62.9 . 1 7003 2 Val CB C 32.1 . 1 7004 2 Val CG1 C 21.3 . 2 7005 2 Val CG2 C 21.1 . 2 7006 2 Val HA H 3.79 . 1 7007 2 Val HB H 1.56 . 1 7008 2 Val HG1 H 0.11 . 2 7009 2 Val HG2 H 0.63 . 2 2 3 Lys H H 8.98 . 1 593 3 Lys HA H 4.65 . 1 594 3 Lys HB2 H 1.83 . 2 595 3 Lys HB3 H 1.83 . 2 596 3 Lys HG2 H 1.45 . 2 597 3 Lys HG3 H 1.45 . 2 598 3 Lys HD2 H 1.67 . 2 599 3 Lys HD3 H 1.635 . 2 600 3 Lys HE2 H 2.98 . 2 601 3 Lys HE3 H 2.98 . 2 3 3 Lys CA C 57.1 . 1 4 3 Lys CB C 36.4 . 1 590 3 Lys CG C 24.7 . 1 591 3 Lys CD C 29.3 . 1 592 3 Lys CE C 41.8 . 1 5 3 Lys N N 124.6 . 1 6 4 Thr H H 7.74 . 1 560 4 Thr HA H 4.31 . 1 7 4 Thr HB H 4.02 . 1 8 4 Thr HG2 H 1.07 . 1 9 4 Thr CA C 64.99 . 1 10 4 Thr CB C 68.7 . 1 11 4 Thr CG2 C 22.2 . 1 12 4 Thr N N 117.9 . 1 13 5 Leu H H 8.46 . 1 1113 5 Leu HA H 4.85 . 1 1114 5 Leu HB3 H 1.25 . 2 1115 5 Leu HB2 H 1.41 . 2 1116 5 Leu HG H 0.93 . 1 1117 5 Leu HD1 H 0.51 . 1 1118 5 Leu HD2 H -0.12 . 1 14 5 Leu CA C 52.7 . 1 15 5 Leu CB C 45.19 . 1 9915 5 Leu CG C 27.61 . 1 9916 5 Leu CD2 C 26.2 . 1 9917 5 Leu CD1 C 22.99 . 1 9918 5 Leu N N 130.6 . 1 2217 6 Arg H H 9.05 . 1 17 6 Arg HA H 5.50 . 1 2215 6 Arg HB2 H 1.40 . 2 2214 6 Arg HB3 H 1.68 . 2 2213 6 Arg HG2 H 1.47 . 2 2212 6 Arg HG3 H 1.20 . 2 2211 6 Arg HD2 H 2.99 . 2 2210 6 Arg HD3 H 3.06 . 2 18 6 Arg CA C 54.35 . 1 19 6 Arg CB C 33.08 . 1 9990 6 Arg CG C 28.2 . 1 9919 6 Arg CD C 43.5 . 1 20 6 Arg N N 123.1 . 1 21 7 Leu H H 8.29 . 1 2216 7 Leu HA H 4.87 . 1 2218 7 Leu HB2 H 1.586 . 2 2219 7 Leu HB3 H 0.93 . 2 2220 7 Leu HG H 1.19 . 1 2221 7 Leu HD1 H 0.23 . 1 2222 7 Leu HD2 H 0.496 . 1 22 7 Leu CA C 52.27 . 1 23 7 Leu CB C 43.8 . 1 9923 7 Leu CG C 25.97 . 1 9924 7 Leu CD1 C 24.5 . 1 9935 7 Leu CD2 C 24.9 . 1 24 7 Leu N N 121.3 . 1 25 8 Asn H H 9.22 . 1 2225 8 Asn HA H 4.58 . 1 2224 8 Asn HB2 H 3.14 . 2 2223 8 Asn HB3 H 3.07 . 2 26 8 Asn CA C 54.18 . 1 27 8 Asn CB C 36.4 . 1 28 8 Asn N N 121.7 . 1 1003 8 Asn ND2 N 115.1 . 1 1004 8 Asn HD21 H 7.02 . 2 1005 8 Asn HD22 H 7.78 . 2 6000 9 Asn CA C 54.8 . 1 6001 9 Asn CB C 38.2 . 1 6002 9 Asn HA H 4.18 . 1 6003 9 Asn HB2 H 3.00 . 2 6003 9 Asn HB3 H 3.10 . 2 6003 9 Asn ND2 N 113.0 . 1 6004 9 Asn HD21 H 6.89 . 2 6005 9 Asn HD22 H 7.61 . 2 31 10 Val H H 8.22 . 1 32 10 Val HA H 4.09 . 1 33 10 Val HB H 2.34 . 1 34 10 Val HG1 H 0.87 . 1 37 10 Val HG2 H 1.00 . 1 38 10 Val CA C 62.82 . 1 39 10 Val CB C 32.45 . 1 40 10 Val CG1 C 20.95 . 1 41 10 Val CG2 C 21.54 . 1 42 10 Val N N 124.5 . 1 43 11 Thr H H 8.496 . 1 44 11 Thr HA H 4.67 . 1 45 11 Thr HB H 4.006 . 1 46 11 Thr HG2 H 1.15 . 1 47 11 Thr CA C 63.83 . 1 48 11 Thr CB C 68.98 . 1 49 11 Thr CG2 C 22.26 . 1 50 11 Thr N N 123.6 . 1 51 12 Leu H H 9.70 . 1 52 12 Leu HA H 4.67 . 1 53 12 Leu HB2 H 1.34 . 2 953 12 Leu HB3 H 1.41 . 2 954 12 Leu HG H 1.483 . 1 955 12 Leu HD1 H 0.676 . 1 956 12 Leu HD2 H 0.83 . 1 54 12 Leu CA C 53.48 . 1 9955 12 Leu CB C 46.06 . 1 9956 12 Leu CG C 26.87 . 1 9957 12 Leu CD1 C 26.04 . 1 9958 12 Leu CD2 C 23.69 . 1 56 12 Leu N N 129.9 . 1 57 13 Glu H H 8.50 . 1 2254 13 Glu HA H 4.85 . 1 2253 13 Glu HB2 H 1.87 . 2 2252 13 Glu HB3 H 1.87 . 2 2251 13 Glu HG2 H 2.00 . 2 2250 13 Glu HG3 H 2.18 . 2 58 13 Glu CA C 54.5 . 1 59 13 Glu CB C 31.6 . 1 6659 13 Glu CG C 36.96 . 1 60 13 Glu N N 121.1 . 1 61 14 Met H H 9.34 . 1 6661 14 Met HA H 4.75 . 1 9661 14 Met HB2 H 1.89 . 2 9663 14 Met HB3 H 2.186 . 2 9662 14 Met HG2 H 2.17 . 2 9664 14 Met HG3 H 1.79 . 2 9665 14 Met HE H 1.288 . 1 62 14 Met CA C 55.38 . 1 63 14 Met CB C 33.823 . 1 9963 14 Met CG C 31.71 . 1 9964 14 Met CE C 16.31 . 1 64 14 Met N N 124.3 . 1 65 15 Ala H H 9.04 . 1 66 15 Ala HA H 4.49 . 1 67 15 Ala HB H 1.402 . 1 68 15 Ala CA C 52.57 . 1 69 15 Ala CB C 19.87 . 1 70 15 Ala N N 125.9 . 1 71 16 Ala H H 7.88 . 1 72 16 Ala HA H 4.526 . 1 73 16 Ala HB H 1.522 . 1 74 16 Ala CA C 52.58 . 1 75 16 Ala CB C 21.4 . 1 76 16 Ala N N 119.4 . 1 77 17 Tyr H H 8.27 . 1 2277 17 Tyr HA H 5.29 . 1 2278 17 Tyr HB2 H 3.23 . 2 2279 17 Tyr HB3 H 2.68 . 2 78 17 Tyr CA C 59.16 . 1 79 17 Tyr CB C 41.7 . 1 80 17 Tyr N N 120.3 . 1 9980 17 Tyr HD1 H 7.17 . 2 9981 17 Tyr HD2 H 7.17 . 2 9081 17 Tyr HE1 H 6.64 . 2 9082 17 Tyr HE2 H 6.64 . 2 9100 17 Tyr CD1 C 133.1 . 2 9101 17 Tyr CD2 C 133.1 . 2 9100 17 Tyr CE1 C 118.0 . 2 9101 17 Tyr CE2 C 118.0 . 2 81 18 Gln H H 8.61 . 1 2280 18 Gln HA H 4.35 . 1 2281 18 Gln HB2 H 2.02 . 2 2282 18 Gln HB3 H 1.89 . 2 2283 18 Gln HG2 H 2.32 . 2 2284 18 Gln HG3 H 2.32 . 2 82 18 Gln CA C 54.92 . 1 83 18 Gln CB C 32.57 . 1 9983 18 Gln CG C 33.91 . 1 84 18 Gln N N 128.0 . 1 1000 18 Gln NE2 N 112.3 . 1 1001 18 Gln HE21 H 7.583 . 2 1002 18 Gln HE22 H 6.80 . 2 2285 19 Glu H H 8.37 . 1 2286 19 Glu HA H 5.015 . 1 2287 19 Glu HB2 H 2.05 . 2 2288 19 Glu HB3 H 2.00 . 2 2289 19 Glu HG2 H 2.05 . 2 2290 19 Glu HG3 H 2.17 . 2 85 19 Glu CA C 54.7 . 1 86 19 Glu CB C 34.8 . 1 2291 19 Glu CG C 36.5 . 1 87 19 Glu N N 122.9 . 1 88 20 Glu H H 8.92 . 1 2297 20 Glu HA H 4.74 . 1 2296 20 Glu HB2 H 1.87 . 2 2295 20 Glu HB3 H 2.165 . 2 2294 20 Glu HG2 H 2.25 . 2 2293 20 Glu HG3 H 2.28 . 2 89 20 Glu CA C 55.1 . 1 90 20 Glu CB C 33.8 . 1 2292 20 Glu CG C 36.2 . 1 91 20 Glu N N 123.3 . 1 92 21 Ser H H 9.07 . 1 93 21 Ser HA H 4.43 . 1 94 21 Ser HB2 H 3.76 . 2 95 21 Ser HB3 H 3.83 . 2 96 21 Ser CA C 59.3 . 1 97 21 Ser CB C 65.0 . 1 98 21 Ser N N 114.8 . 1 99 22 Glu H H 7.67 . 1 2298 22 Glu HA H 4.50 . 1 2299 22 Glu HB2 H 1.95 . 2 2300 22 Glu HB3 H 1.81 . 2 2301 22 Glu HG2 H 2.16 . 2 2302 22 Glu HG3 H 2.16 . 2 100 22 Glu CA C 53.1 . 1 101 22 Glu CB C 31.75 . 1 1101 22 Glu CG C 35.4 . 1 102 22 Glu N N 119.913 . 1 522 23 Pro HA H 4.636 . 1 103 23 Pro HB2 H 2.16 . 2 104 23 Pro HB3 H 2.42 . 2 105 23 Pro HG2 H 1.81 . 2 106 23 Pro HG3 H 2.05 . 2 107 23 Pro HD2 H 3.84 . 2 108 23 Pro HD3 H 3.48 . 2 523 23 Pro CA C 64.2 . 1 524 23 Pro CB C 34.2 . 1 109 23 Pro CG C 25.07 . 1 110 23 Pro CD C 50.03 . 1 1000 24 Lys H H 7.37 . 1 1001 24 Lys HA H 4.48 . 1 1002 24 Lys HB2 H 1.48 . 2 1003 24 Lys HB3 H 1.77 . 2 1004 24 Lys HG2 H 1.25 . 2 1005 24 Lys HG3 H 1.34 . 2 1006 24 Lys HD2 H 1.63 . 2 1007 24 Lys HD3 H 1.71 . 2 1008 24 Lys HE2 H 2.97 . 2 1009 24 Lys HE3 H 2.97 . 2 1010 24 Lys N N 119.4 . 1 111 24 Lys CA C 54.2 . 1 112 24 Lys CB C 36.4 . 1 1111 24 Lys CG C 24.7 . 1 1112 24 Lys CD C 29.4 . 1 1113 24 Lys CE C 42.0 . 1 113 25 Arg H H 8.73 . 1 1114 25 Arg HA H 4.47 . 1 1115 25 Arg HB2 H 1.17 . 2 1116 25 Arg HB3 H 1.443 . 2 1117 25 Arg HG3 H 1.37 . 2 1118 25 Arg HG2 H 1.135 . 2 1119 25 Arg HD3 H 3.08 . 2 1120 25 Arg HD2 H 2.75 . 2 114 25 Arg CA C 57.0 . 1 115 25 Arg CB C 28.9 . 1 1121 25 Arg CG C 26.7 . 1 1122 25 Arg CD C 43.23 . 1 116 25 Arg N N 121.9 . 1 1123 26 Lys N N 124.5 . 1 1124 26 Lys H H 8.22 . 1 1125 26 Lys HA H 5.27 . 1 1126 26 Lys HB2 H 1.64 . 2 1127 26 Lys HB3 H 1.54 . 2 1128 26 Lys HG2 H 1.09 . 2 1129 26 Lys HG3 H 1.43 . 2 1130 26 Lys HD2 H 1.466 . 2 1131 26 Lys HD3 H 1.466 . 2 1132 26 Lys HE2 H 2.719 . 2 1133 26 Lys HE3 H 2.74 . 2 1134 26 Lys CA C 55.0 . 1 118 26 Lys CB C 36.9 . 1 1135 26 Lys CG C 24.0 . 1 1136 26 Lys CD C 29.86 . 1 1137 26 Lys CE C 41.9 . 1 119 27 Ile H H 9.10 . 1 120 27 Ile HA H 5.32 . 1 121 27 Ile HB H 2.04 . 1 122 27 Ile HG12 H 1.93 . 2 123 27 Ile HG13 H 1.35 . 2 124 27 Ile HG2 H 1.18 . 1 125 27 Ile HD1 H 0.89 . 1 126 27 Ile CA C 59.0 . 1 127 27 Ile CB C 42.48 . 1 570 27 Ile CG2 C 18.6 . 1 9570 27 Ile CG1 C 26.1 . 1 128 27 Ile CD1 C 15.33 . 1 129 27 Ile N N 116.4 . 1 130 28 Ala H H 8.73 . 1 131 28 Ala HA H 5.46 . 1 132 28 Ala HB H 1.313 . 1 133 28 Ala CA C 50.6 . 1 134 28 Ala CB C 21.96 . 1 135 28 Ala N N 124.9 . 1 136 29 Phe H H 8.75 . 1 550 29 Phe HA H 5.42 . 1 551 29 Phe HB2 H 3.45 . 2 552 29 Phe HB3 H 3.59 . 2 137 29 Phe CA C 55.68 . 1 138 29 Phe CB C 43.1 . 1 139 29 Phe N N 118.8 . 1 9000 29 Phe HD1 H 6.78 . 2 9001 29 Phe HD2 H 6.78 . 2 9100 29 Phe CD1 C 132.4 . 2 9101 29 Phe CD2 C 132.4 . 2 140 30 Thr H H 7.98 . 1 141 30 Thr HA H 5.69 . 1 142 30 Thr HB H 3.965 . 1 143 30 Thr HG2 H 1.15 . 1 144 30 Thr CA C 59.9 . 1 145 30 Thr CB C 71.13 . 1 146 30 Thr CG2 C 22.6 . 1 147 30 Thr N N 114.1 . 1 148 31 Leu H H 9.36 . 1 3140 31 Leu HA H 5.02 . 1 3141 31 Leu HB2 H 1.58 . 2 3142 31 Leu HB3 H 1.67 . 2 3143 31 Leu HG H 1.835 . 1 3144 31 Leu HD1 H 0.96 . 1 3145 31 Leu HD2 H 1.01 . 1 149 31 Leu CA C 52.99 . 1 150 31 Leu CB C 45.4 . 1 3146 31 Leu CG C 26.81 . 1 3147 31 Leu CD1 C 26.4 . 1 3148 31 Leu CD2 C 24.06 . 1 151 31 Leu N N 125.3 . 1 152 32 Asn H H 9.16 . 1 153 32 Asn HA H 5.21 . 1 154 32 Asn HB2 H 2.542 . 2 155 32 Asn HB3 H 2.722 . 2 156 32 Asn CA C 52.66 . 1 157 32 Asn CB C 38.6 . 1 158 32 Asn N N 123.6 . 1 1008 32 Asn ND2 N 109.1 . 1 1007 32 Asn HD21 H 7.30 . 2 1006 32 Asn HD22 H 6.63 . 2 159 33 Val HA H 4.08 . 1 160 33 Val HB H 1.67 . 1 161 33 Val HG2 H 0.195 . 1 162 33 Val HG1 H 0.73 . 1 163 33 Val CA C 61.94 . 1 164 33 Val CB C 34.6 . 1 165 33 Val CG2 C 20.68 . 1 166 33 Val CG1 C 21.68 . 1 9166 33 Val N N 124.5 . 1 9167 33 Val H H 8.88 . 1 167 34 Thr H H 7.65 . 1 168 34 Thr HA H 5.13 . 1 169 34 Thr HB H 4.792 . 1 170 34 Thr HG2 H 1.25 . 1 171 34 Thr CA C 59.2 . 1 172 34 Thr CB C 72.83 . 1 173 34 Thr CG2 C 21.780 . 1 174 34 Thr N N 114.3 . 1 175 35 Ser H H 9.33 . 1 176 35 Ser HA H 4.02 . 1 177 35 Ser HB2 H 3.88 . 2 6677 35 Ser HB3 H 3.97 . 2 178 35 Ser CA C 62.0 . 1 179 35 Ser CB C 62.4 . 1 180 35 Ser N N 116.2 . 1 1177 36 Glu H H 8.36 . 1 1178 36 Glu HA H 4.33 . 1 1179 36 Glu HB2 H 2.05 . 2 1180 36 Glu HB3 H 2.11 . 2 1181 36 Glu HG2 H 2.365 . 2 1182 36 Glu HG3 H 2.365 . 2 182 36 Glu CA C 58.9 . 1 183 36 Glu CB C 30.2 . 1 1183 36 Glu CG C 36.96 . 1 184 36 Glu N N 119.2 . 1 185 37 Thr H H 7.58 . 1 186 37 Thr HA H 4.65 . 1 187 37 Thr HB H 4.6 . 1 188 37 Thr HG2 H 1.24 . 1 189 37 Thr CA C 61.62 . 1 190 37 Thr CB C 70.63 . 1 191 37 Thr CG2 C 22.52 . 1 192 37 Thr N N 108.8 . 1 6500 38 Tyr H H 7.99 . 1 6501 38 Tyr HA H 3.89 . 1 6502 38 Tyr HB2 H 3.12 . 2 6503 38 Tyr HB3 H 2.86 . 2 6504 38 Tyr CA C 61.98 . 1 6505 38 Tyr CB C 38.6 . 1 6506 38 Tyr N N 121.7 . 1 9200 38 Tyr HD1 H 6.88 . 2 9201 38 Tyr HD2 H 6.88 . 2 9202 38 Tyr HE1 H 6.78 . 2 9203 38 Tyr HE2 H 6.78 . 2 9204 38 Tyr CD1 C 133.0 . 2 9205 38 Tyr CD2 C 133.0 . 2 9206 38 Tyr CE1 C 118.2 . 2 9207 38 Tyr CE2 C 118.2 . 2 193 39 His CA C 60.45 . 1 194 39 His CB C 28.35 . 1 1190 39 His HA H 3.95 . 1 1191 39 His HB2 H 3.246 . 2 9192 39 His N N 116.4 . 1 9193 39 His H H 8.77 . 1 1192 39 His HB3 H 3.21 . 2 7800 39 His CE1 C 136.2 . 1 7801 39 His HE1 H 8.46 . 1 195 40 Asp H H 8.18 . 1 1193 40 Asp HA H 4.28 . 1 1194 40 Asp HB2 H 2.66 . 2 1195 40 Asp HB3 H 2.78 . 2 196 40 Asp CA C 57.23 . 1 197 40 Asp CB C 39.98 . 1 198 40 Asp N N 117.2 . 1 199 41 Ile H H 7.70 . 1 1196 41 Ile HA H 3.74 . 1 1197 41 Ile HB H 1.80 . 1 1198 41 Ile HG13 H 1.21 . 2 1199 41 Ile HG12 H 1.56 . 2 1200 41 Ile HG2 H 0.63 . 1 1201 41 Ile HD1 H 0.75 . 1 200 41 Ile N N 120.6 . 1 1202 41 Ile CA C 63.4 . 1 1203 41 Ile CB C 37.0 . 1 1204 41 Ile CG1 C 29.14 . 1 1205 41 Ile CG2 C 17.75 . 1 1206 41 Ile CD1 C 12.06 . 1 201 42 Ala H H 8.63 . 1 202 42 Ala HA H 3.79 . 1 203 42 Ala HB H 1.13 . 1 204 42 Ala CA C 55.78 . 1 205 42 Ala CB C 17.4 . 1 206 42 Ala N N 122.9 . 1 207 43 Val H H 7.65 . 1 35 43 Val HA H 3.39 . 1 208 43 Val HB H 1.96 . 1 209 43 Val HG2 H 0.79 . 1 210 43 Val HG1 H 0.86 . 1 36 43 Val CA C 65.7 . 1 211 43 Val CB C 31.74 . 1 212 43 Val CG2 C 22.28 . 1 213 43 Val CG1 C 21.45 . 1 214 43 Val N N 114.6 . 1 215 44 Leu H H 7.25 . 1 1207 44 Leu HA H 4.30 . 1 1208 44 Leu HB2 H 2.10 . 2 1209 44 Leu HB3 H 1.726 . 2 1210 44 Leu HG H 1.61 . 1 1211 44 Leu HD2 H 0.91 . 1 1212 44 Leu HD1 H 1.04 . 1 216 44 Leu N N 122.8 . 1 1213 44 Leu CA C 57.9 . 1 1214 44 Leu CB C 42.25 . 1 1215 44 Leu CG C 27.1 . 1 1216 44 Leu CD2 C 26.04 . 1 1217 44 Leu CD1 C 23.57 . 1 7890 45 Leu H H 8.06 . 1 8392 45 Leu HA H 4.43 . 1 8391 45 Leu HB2 H 1.67 . 2 8390 45 Leu HB3 H 1.60 . 2 8389 45 Leu HG H 1.58 . 1 8388 45 Leu HD1 H 0.90 . 1 8387 45 Leu HD2 H 0.84 . 1 8382 45 Leu CA C 55.2 . 1 8383 45 Leu CB C 41.6 . 1 8384 45 Leu CG C 26.9 . 1 8385 45 Leu CD1 C 25.06 . 1 8386 45 Leu CD2 C 23.7 . 1 379 46 Tyr H H 8.04 . 1 8400 46 Tyr CA C 56.9 . 1 8401 46 Tyr CB C 40.5 . 1 8403 46 Tyr HA H 5.38 . 1 8404 46 Tyr HB2 H 3.42 . 2 8405 46 Tyr HB3 H 2.90 . 2 380 46 Tyr N N 122.7 . 1 7330 46 Tyr HD1 H 6.96 . 2 7331 46 Tyr HD2 H 6.96 . 2 6410 46 Tyr HE1 H 6.48 . 2 6411 46 Tyr HE2 H 6.48 . 2 6400 46 Tyr CE1 C 117.6 . 2 6401 46 Tyr CE2 C 117.6 . 2 6402 46 Tyr CD1 C 132.8 . 2 6403 46 Tyr CD2 C 132.8 . 2 4000 47 Glu HA H 4.00 . 1 4001 47 Glu HB2 H 1.94 . 2 4002 47 Glu HB3 H 2.06 . 2 4003 47 Glu HG2 H 2.36 . 2 4004 47 Glu HG3 H 2.57 . 2 4005 47 Glu CA C 57.7 . 1 4006 47 Glu CB C 29.8 . 1 4007 47 Glu CG C 36.9 . 1 220 48 Lys HA H 4.66 . 1 221 48 Lys HB2 H 1.79 . 2 222 48 Lys HB3 H 1.79 . 2 223 48 Lys HG2 H 1.44 . 2 224 48 Lys HG3 H 1.49 . 2 9225 48 Lys HD2 H 1.65 . 2 9226 48 Lys HD3 H 1.65 . 2 225 48 Lys HE2 H 2.93 . 2 226 48 Lys HE3 H 2.93 . 2 227 48 Lys CA C 57.45 . 1 228 48 Lys CB C 36.8 . 1 229 48 Lys CG C 25.6 . 1 9505 48 Lys CD C 29.28 . 1 9506 48 Lys CE C 41.9 . 1 231 49 Thr H H 7.54 . 1 232 49 Thr HA H 4.83 . 1 233 49 Thr HB H 3.785 . 1 234 49 Thr HG2 H 1.096 . 1 235 49 Thr CA C 60.36 . 1 236 49 Thr CB C 70.85 . 1 6320 49 Thr CG2 C 22.11 . 1 237 49 Thr N N 115.8 . 1 238 50 Phe H H 9.03 . 1 239 50 Phe HA H 5.15 . 1 240 50 Phe HB2 H 2.76 . 2 241 50 Phe HB3 H 2.32 . 2 242 50 Phe CA C 55.68 . 1 243 50 Phe CB C 44.22 . 1 244 50 Phe N N 118.3 . 1 9003 50 Phe HD1 H 6.82 . 2 9004 50 Phe HD2 H 6.82 . 2 7300 50 Phe CD1 C 132.3 . 2 7301 50 Phe CD2 C 132.3 . 2 7303 50 Phe HE1 H 7.32 . 2 7304 50 Phe HE2 H 7.32 . 2 7305 50 Phe CE1 C 131.1 . 2 7306 50 Phe CE2 C 131.1 . 2 245 51 Asn H H 8.81 . 1 246 51 Asn N N 121.1 . 1 6302 51 Asn CA C 53.96 . 1 6303 51 Asn CB C 37.9 . 1 6304 51 Asn HA H 4.92 . 1 6305 51 Asn HB2 H 2.83 . 2 6306 51 Asn HB3 H 2.83 . 2 1009 51 Asn ND2 N 114.9 . 1 1010 51 Asn HD21 H 7.77 . 2 1011 51 Asn HD22 H 7.00 . 2 247 52 Val HA H 4.37 . 1 248 52 Val HB H 0.94 . 1 249 52 Val HG1 H 0.36 . 1 250 52 Val HG2 H 0.504 . 1 251 52 Val CA C 61.66 . 1 252 52 Val CB C 32.59 . 1 253 52 Val CG1 C 21.95 . 1 254 52 Val CG2 C 21.49 . 1 6300 52 Val N N 129.3 . 1 6301 52 Val H H 9.14 . 1 255 53 Glu H H 9.02 . 1 6255 53 Glu HA H 5.09 . 1 6256 53 Glu HB2 H 1.847 . 2 6257 53 Glu HB3 H 1.62 . 2 6258 53 Glu HG2 H 2.13 . 2 6259 53 Glu HG3 H 2.25 . 2 256 53 Glu CA C 55.5 . 1 257 53 Glu CB C 31.94 . 1 6260 53 Glu CG C 36.6 . 1 258 53 Glu N N 125.4 . 1 259 54 Val H H 8.84 . 1 260 54 Val HA H 4.68 . 1 261 54 Val HB H 2.24 . 1 262 54 Val HG1 H 0.65 . 1 263 54 Val HG2 H 0.86 . 1 264 54 Val CA C 58.9 . 1 265 54 Val CB C 31.9 . 1 540 54 Val CG1 C 22.53 . 1 541 54 Val CG2 C 19.6 . 1 266 54 Val N N 123.1 . 1 267 55 Pro HA H 4.48 . 1 268 55 Pro HB2 H 2.035 . 2 269 55 Pro HB3 H 2.37 . 2 270 55 Pro HG2 H 2.025 . 2 271 55 Pro HG3 H 1.875 . 2 525 55 Pro HD2 H 3.24 . 2 526 55 Pro HD3 H 3.77 . 2 272 55 Pro CA C 65.72 . 1 273 55 Pro CB C 32.04 . 1 527 55 Pro CG C 27.26 . 1 528 55 Pro CD C 50.52 . 1 274 56 Glu H H 10.05 . 1 275 56 Glu HA H 4.145 . 1 276 56 Glu HB2 H 2.22 . 2 277 56 Glu HB3 H 1.97 . 2 278 56 Glu HG2 H 2.33 . 2 8278 56 Glu HG3 H 2.33 . 2 279 56 Glu CA C 58.58 . 1 280 56 Glu CB C 30.00 . 1 8280 56 Glu CG C 37.9 . 1 281 56 Glu N N 118.00 . 1 282 57 Arg H H 7.55 . 1 283 57 Arg HA H 4.48 . 1 284 57 Arg HB2 H 1.524 . 2 285 57 Arg HB3 H 2.346 . 2 8285 57 Arg HG2 H 1.836 . 2 8286 57 Arg HG3 H 1.24 . 2 8287 57 Arg HD2 H 3.22 . 2 8288 57 Arg HD3 H 3.27 . 2 286 57 Arg CA C 52.56 . 1 287 57 Arg CB C 29.99 . 1 8281 57 Arg CG C 26.02 . 1 8282 57 Arg CD C 40.5 . 1 288 57 Arg N N 116.4 . 1 289 58 Asp H H 7.92 . 1 290 58 Asp HA H 4.25 . 1 291 58 Asp HB2 H 2.54 . 2 292 58 Asp HB3 H 3.04 . 2 293 58 Asp CA C 55.42 . 1 294 58 Asp CB C 39.86 . 1 295 58 Asp N N 118.4 . 1 296 59 Leu H H 6.93 . 1 297 59 Leu HA H 4.77 . 1 298 59 Leu HB2 H 1.64 . 2 299 59 Leu HB3 H 1.43 . 2 300 59 Leu HG H 1.502 . 1 301 59 Leu HD1 H 0.93 . 1 302 59 Leu HD2 H 0.901 . 1 303 59 Leu CA C 53.83 . 1 304 59 Leu CB C 45.8 . 1 305 59 Leu CG C 27.17 . 1 7305 59 Leu CD1 C 23.98 . 1 306 59 Leu CD2 C 25.06 . 1 307 59 Leu N N 116.5 . 1 308 60 Ala H H 8.69 . 1 309 60 Ala HA H 5.353 . 1 310 60 Ala HB H 1.392 . 1 311 60 Ala CA C 52.02 . 1 312 60 Ala CB C 21.06 . 1 313 60 Ala N N 130.0 . 1 314 61 Phe H H 8.47 . 1 315 61 Phe HA H 4.933 . 1 316 61 Phe HB2 H 3.18 . 2 317 61 Phe HB3 H 3.379 . 2 318 61 Phe CA C 56.5 . 1 319 61 Phe CB C 39.72 . 1 320 61 Phe N N 117.5 . 1 9320 61 Phe HD1 H 6.89 . 2 9321 61 Phe HD2 H 6.89 . 2 9401 61 Phe HE1 H 6.91 . 2 9402 61 Phe HE2 H 6.91 . 2 9403 61 Phe CD1 C 132.6 . 2 9404 61 Phe CD2 C 132.6 . 2 9444 61 Phe CE1 C 129.8 . 2 9445 61 Phe CE2 C 129.8 . 2 321 62 Arg H H 9.27 . 1 322 62 Arg HA H 5.29 . 1 323 62 Arg HB2 H 1.86 . 2 324 62 Arg HB3 H 2.03 . 2 325 62 Arg HG2 H 1.66 . 2 326 62 Arg HG3 H 1.59 . 2 327 62 Arg HD2 H 3.26 . 2 328 62 Arg HD3 H 3.17 . 2 329 62 Arg CA C 54.95 . 1 330 62 Arg CB C 30.8 . 1 9330 62 Arg CG C 27.51 . 1 331 62 Arg CD C 43.3 . 1 332 62 Arg N N 122.5 . 1 333 63 Gly H H 9.37 . 1 334 63 Gly CA C 45.0 . 1 7334 63 Gly HA2 H 5.44 . 2 7335 63 Gly HA3 H 3.46 . 2 335 63 Gly N N 112.7 . 1 336 64 Glu H H 9.09 . 1 7339 64 Glu HA H 5.41 . 1 7340 64 Glu HB2 H 1.97 . 2 7341 64 Glu HB3 H 2.06 . 2 7342 64 Glu HG2 H 2.18 . 2 7343 64 Glu HG3 H 2.20 . 2 7336 64 Glu CA C 53.16 . 1 7337 64 Glu CB C 33.5 . 1 7338 64 Glu CG C 35.0 . 1 337 64 Glu N N 118.4 . 1 338 65 Met H H 9.32 . 1 8338 65 Met HA H 5.07 . 1 8339 65 Met HB2 H 2.04 . 2 8340 65 Met HB3 H 2.50 . 2 8341 65 Met HG2 H 2.66 . 2 8342 65 Met HG3 H 2.46 . 2 8343 65 Met HE H 2.0 . 1 339 65 Met CA C 56.7 . 1 340 65 Met CB C 34.5 . 1 8344 65 Met CG C 31.48 . 1 8345 65 Met CE C 16.87 . 1 341 65 Met N N 124.9 . 1 342 66 Thr H H 8.97 . 1 343 66 Thr HA H 4.48 . 1 344 66 Thr HB H 4.44 . 1 345 66 Thr HG2 H 1.24 . 1 346 66 Thr CA C 61.97 . 1 347 66 Thr CB C 69.16 . 1 348 66 Thr CG2 C 23.4 . 1 349 66 Thr N N 120.3 . 1 350 67 Asn H H 7.85 . 1 8350 67 Asn HA H 4.85 . 1 8351 67 Asn HB2 H 2.54 . 2 8352 67 Asn HB3 H 2.70 . 2 351 67 Asn CA C 54.24 . 1 352 67 Asn CB C 41.9 . 1 353 67 Asn N N 119.2 . 1 1012 67 Asn ND2 N 111.7 . 1 1013 67 Asn HD21 H 6.80 . 2 1014 67 Asn HD22 H 7.43 . 2 354 68 Tyr H H 8.72 . 1 355 68 Tyr CA C 54.6 . 1 356 68 Tyr CB C 41.18 . 1 9356 68 Tyr HA H 4.611 . 1 9357 68 Tyr HB2 H 2.688 . 2 9358 68 Tyr HB3 H 2.688 . 2 357 68 Tyr N N 123.2 . 1 358 69 Ser H H 8.16 . 1 9350 69 Ser CB C 65.0 . 1 359 69 Ser CA C 58.913 . 1 9354 69 Ser HA H 4.45 . 1 9352 69 Ser HB2 H 3.88 . 2 9353 69 Ser HB2 H 3.96 . 2 360 69 Ser N N 115.0 . 1 361 70 Thr H H 8.25 . 1 362 70 Thr HA H 4.20 . 1 363 70 Thr HB H 4.045 . 1 364 70 Thr HG2 H 1.12 . 1 8365 70 Thr CA C 62.2 . 1 365 70 Thr CB C 70.06 . 1 366 70 Thr CG2 C 21.263 . 1 367 70 Thr N N 111.0 . 1 9006 71 Ser CA C 58.1 . 1 9007 71 Ser CB C 63.6 . 1 9008 71 Ser HA H 4.61 . 1 9009 71 Ser HB2 H 4.11 . 2 9010 71 Ser HB3 H 4.14 . 2 9000 72 Leu N N 122.3 . 1 9001 72 Leu H H 8.29 . 1 9002 72 Leu CA C 56.5 . 1 9102 72 Leu CB C 40.6 . 1 9303 72 Leu CG C 26.5 . 1 9302 72 Leu CD1 C 26.5 . 2 9304 72 Leu CD2 C 21.1 . 2 9003 72 Leu HA H 4.30 . 1 9203 72 Leu HB2 H 1.73 . 2 9204 72 Leu HB3 H 1.41 . 2 9206 72 Leu HD1 H 0.67 . 2 9207 72 Leu HD2 H 0.60 . 2 376 73 Thr H H 8.00 . 1 368 73 Thr HA H 5.11 . 1 369 73 Thr HB H 4.05 . 1 370 73 Thr HG2 H 0.51 . 1 371 73 Thr CA C 59.3 . 1 372 73 Thr CB C 71.95 . 1 373 73 Thr CG2 C 20.6 . 1 374 74 Asn H H 8.37 . 1 8378 74 Asn HA H 4.66 . 1 8379 74 Asn HB2 H 2.80 . 2 8380 74 Asn HB3 H 2.70 . 2 8375 74 Asn N N 121.5 . 1 8376 74 Asn CA C 52.78 . 1 8377 74 Asn CB C 38.36 . 1 1015 74 Asn ND2 N 112.1 . 1 1016 74 Asn HD21 H 6.97 . 2 1017 74 Asn HD22 H 7.64 . 2 217 75 Leu H H 8.02 . 1 1218 75 Leu HA H 3.97 . 1 1219 75 Leu HB2 H 1.12 . 2 1220 75 Leu HB3 H 1.17 . 2 1221 75 Leu HG H 1.24 . 1 1222 75 Leu HD1 H 0.52 . 1 1223 75 Leu HD2 H 0.50 . 1 1224 75 Leu CA C 55.5 . 1 1225 75 Leu CB C 41.8 . 1 1226 75 Leu CG C 26.7 . 1 1227 75 Leu CD1 C 24.9 . 1 1229 75 Leu CD2 C 23.7 . 1 1228 75 Leu N N 123.2 . 1 6354 76 Tyr H H 7.93 . 1 6355 76 Tyr CA C 58.0 . 1 6356 76 Tyr CB C 37.7 . 1 6359 76 Tyr HA H 4.45 . 1 6357 76 Tyr HB2 H 3.16 . 2 6358 76 Tyr HB3 H 2.90 . 2 6360 76 Tyr N N 116.1 . 1 6361 76 Tyr HD1 H 7.06 . 2 6362 76 Tyr HD2 H 7.06 . 2 6363 76 Tyr HE1 H 6.77 . 2 6364 76 Tyr HE2 H 6.77 . 2 6365 76 Tyr CD1 C 133.1 . 2 6366 76 Tyr CD2 C 133.1 . 2 6367 76 Tyr CE1 C 118.0 . 2 6368 76 Tyr CE2 C 118.0 . 2 1229 77 Glu CA C 53.7 . 1 1230 77 Glu CB C 30.2 . 1 1231 77 Glu CG C 35.8 . 1 1232 77 Glu HA H 4.65 . 1 1233 77 Glu HB2 H 2.02 . 2 1234 77 Glu HB3 H 1.88 . 2 1235 77 Glu HG2 H 2.216 . 2 1236 77 Glu HG3 H 2.216 . 2 6369 77 Glu H H 7.41 . 1 6370 77 Glu N N 122.3 . 1 381 78 Pro HA H 4.34 . 1 382 78 Pro HB2 H 2.27 . 2 383 78 Pro HB3 H 1.93 . 2 384 78 Pro HG2 H 1.99 . 2 385 78 Pro HG3 H 2.13 . 2 386 78 Pro HD2 H 3.71 . 2 387 78 Pro HD3 H 3.92 . 2 388 78 Pro CA C 64.0 . 1 389 78 Pro CB C 31.74 . 1 529 78 Pro CG C 27.77 . 1 390 78 Pro CD C 50.88 . 1 391 79 Gly H H 8.98 . 1 392 79 Gly HA2 H 3.822 . 2 393 79 Gly HA3 H 4.09 . 2 394 79 Gly CA C 45.57 . 1 395 79 Gly N N 112.3 . 1 396 80 Ala H H 7.67 . 1 397 80 Ala HA H 4.30 . 1 398 80 Ala HB H 1.41 . 1 399 80 Ala CA C 52.88 . 1 400 80 Ala CB C 20.67 . 1 401 80 Ala N N 123.2 . 1 542 81 Val H H 8.28 . 1 543 81 Val HA H 4.41 . 1 544 81 Val HB H 1.905 . 1 545 81 Val HG1 H 0.88 . 2 546 81 Val HG2 H 0.81 . 2 547 81 Val CA C 61.54 . 1 548 81 Val CB C 34.0 . 1 549 81 Val CG1 C 20.97 . 2 550 81 Val CG2 C 21.34 . 2 580 82 Ser CA C 57.18 . 1 581 82 Ser CB C 65.2 . 1 582 82 Ser HA H 4.685 . 1 583 82 Ser HB2 H 3.62 . 2 584 82 Ser HB3 H 3.69 . 2 3220 82 Ser N N 122.0 . 1 3223 82 Ser H H 8.97 . 1 585 83 Glu H H 8.36 . 1 9583 83 Glu HA H 4.50 . 1 9584 83 Glu HB2 H 1.95 . 2 9585 83 Glu HB3 H 1.81 . 2 9582 83 Glu HG2 H 2.15 . 2 9581 83 Glu HG3 H 2.15 . 2 586 83 Glu CA C 53.02 . 1 587 83 Glu CB C 31.8 . 1 9587 83 Glu CG C 35.4 . 1 588 83 Glu N N 122.8 . 1 7600 84 Phe CA C 54.84 . 1 7601 84 Phe CB C 40.69 . 1 7602 84 Phe HA H 4.92 . 1 7603 84 Phe HB2 H 2.80 . 2 7604 84 Phe HB3 H 3.12 . 2 8400 84 Phe HD1 H 7.03 . 2 8401 84 Phe HD2 H 7.03 . 2 7322 84 Phe CD1 C 130.0 . 2 7323 84 Phe CD2 C 130.0 . 2 7324 84 Phe HE1 H 7.20 . 2 7325 84 Phe HE2 H 7.20 . 2 7326 84 Phe CE1 C 131.3 . 2 7327 84 Phe CE2 C 131.3 . 2 9800 84 Phe CZ C 130.6 . 1 9801 84 Phe HZ H 7.03 . 1 3200 84 Phe N N 123.8 . 1 3201 84 Phe H H 9.16 . 1 7605 85 Tyr CA C 56.19 . 1 7606 85 Tyr CB C 37.8 . 1 7607 85 Tyr HA H 5.05 . 1 7608 85 Tyr HB2 H 2.83 . 2 7609 85 Tyr HB3 H 2.83 . 2 7610 85 Tyr N N 123.6 . 2 7611 85 Tyr H H 8.81 . 2 9208 85 Tyr HD1 H 6.95 . 2 9209 85 Tyr HD2 H 6.95 . 2 9210 85 Tyr HE1 H 6.55 . 2 9211 85 Tyr HE2 H 6.55 . 2 9212 85 Tyr CD1 C 133.2 . 2 9213 85 Tyr CD2 C 133.2 . 2 9214 85 Tyr CE1 C 118.2 . 2 9215 85 Tyr CE2 C 118.2 . 2 7406 86 Ile H H 8.34 . 1 7407 86 Ile HA H 4.52 . 1 7408 86 Ile HB H 0.36 . 1 7409 86 Ile HG12 H 1.13 . 2 7410 86 Ile HG13 H 1.22 . 2 7411 86 Ile HG2 H 0.69 . 1 7412 86 Ile HD1 H 0.83 . 1 7413 86 Ile CA C 59.34 . 1 7414 86 Ile CB C 40.3 . 1 7418 86 Ile CG1 C 28.02 . 1 7415 86 Ile CG2 C 19.66 . 1 7416 86 Ile CD1 C 14.8 . 1 7417 86 Ile N N 126.2 . 1 402 87 Glu H H 8.20 . 1 1407 87 Glu HA H 5.33 . 1 1406 87 Glu HB2 H 1.81 . 2 1405 87 Glu HB3 H 1.81 . 2 1404 87 Glu HG2 H 2.08 . 2 1403 87 Glu HG3 H 2.00 . 2 403 87 Glu CA C 54.5 . 1 404 87 Glu CB C 34.1 . 1 1404 87 Glu CG C 36.93 . 1 405 87 Glu N N 124.6 . 1 406 88 Ile H H 9.25 . 1 407 88 Ile HA H 5.08 . 1 408 88 Ile HB H 1.725 . 1 409 88 Ile HG12 H 0.89 . 2 410 88 Ile HG13 H 1.72 . 2 411 88 Ile HG2 H 0.92 . 1 412 88 Ile HD1 H 0.69 . 1 413 88 Ile CA C 59.9 . 1 414 88 Ile CB C 42.1 . 1 9414 88 Ile CG1 C 28.5 . 1 415 88 Ile CG2 C 17.95 . 1 416 88 Ile CD1 C 14.99 . 1 417 88 Ile N N 124.9 . 1 418 89 Thr H H 9.02 . 1 419 89 Thr HA H 4.96 . 1 420 89 Thr HB H 3.98 . 1 421 89 Thr HG2 H 1.38 . 1 422 89 Thr CA C 61.6 . 1 423 89 Thr CB C 70.0 . 1 1423 89 Thr CG2 C 21.6 . 1 424 89 Thr N N 122.9 . 1 425 90 Glu H H 8.91 . 1 426 90 Glu CA C 57.3 . 1 427 90 Glu CB C 30.57 . 1 1427 90 Glu CG C 35.88 . 1 1428 90 Glu HA H 4.73 . 1 1429 90 Glu HB2 H 1.93 . 2 1430 90 Glu HB3 H 1.54 . 2 1431 90 Glu HG2 H 2.626 . 2 1432 90 Glu HG3 H 2.626 . 2 428 90 Glu N N 128.6 . 1 429 91 Ile H H 8.55 . 1 430 91 Ile HA H 4.23 . 1 431 91 Ile HB H 1.82 . 1 432 91 Ile HG12 H 1.49 . 2 433 91 Ile HG13 H 1.06 . 2 434 91 Ile HG2 H 0.96 . 1 435 91 Ile HD1 H 0.835 . 1 436 91 Ile CA C 61.4 . 1 437 91 Ile CB C 39.8 . 1 438 91 Ile CG1 C 27.4 . 1 9438 91 Ile CG2 C 17.96 . 1 439 91 Ile CD1 C 14.6 . 1 440 91 Ile N N 124.6 . 1 441 92 Asp H H 8.55 . 1 442 92 Asp HA H 4.612 . 1 443 92 Asp HB2 H 2.65 . 2 444 92 Asp HB3 H 2.75 . 2 445 92 Asp CA C 54.37 . 1 446 92 Asp CB C 41.57 . 1 447 92 Asp N N 124.1 . 1 448 93 Lys H H 8.53 . 1 449 93 Lys HA H 4.24 . 1 450 93 Lys HB2 H 1.86 . 2 451 93 Lys HB3 H 1.85 . 2 452 93 Lys HG2 H 1.506 . 2 453 93 Lys HG3 H 1.506 . 2 454 93 Lys HD3 H 1.72 . 2 1454 93 Lys HD2 H 1.72 . 2 455 93 Lys HE2 H 3.03 . 2 456 93 Lys HE3 H 3.03 . 2 457 93 Lys CA C 57.1 . 1 458 93 Lys CB C 32.9 . 1 459 93 Lys CG C 24.6 . 1 460 93 Lys CD C 29.1 . 1 461 93 Lys CE C 41.9 . 1 462 93 Lys N N 123.2 . 1 463 94 Asn H H 8.59 . 1 464 94 Asn HA H 4.68 . 1 465 94 Asn HB2 H 2.87 . 2 466 94 Asn HB3 H 2.80 . 2 467 94 Asn CA C 53.3 . 1 468 94 Asn CB C 38.7 . 1 469 94 Asn N N 118.8 . 1 1018 94 Asn ND2 N 113.6 . 1 1019 94 Asn HD21 H 6.98 . 2 1020 94 Asn HD22 H 7.76 . 2 470 95 Ala H H 8.11 . 1 471 95 Ala HA H 4.27 . 1 472 95 Ala HB H 1.43 . 1 473 95 Ala CA C 53.16 . 1 474 95 Ala CB C 19.1 . 1 475 95 Ala N N 123.99 . 1 476 96 Asp H H 8.29 . 1 477 96 Asp HA H 4.61 . 1 478 96 Asp HB2 H 2.65 . 2 479 96 Asp HB3 H 2.73 . 2 480 96 Asp CA C 54.4 . 1 481 96 Asp CB C 41.3 . 1 482 96 Asp N N 119.1 . 1 483 97 Ser H H 8.15 . 1 484 97 Ser HA H 4.38 . 1 485 97 Ser HB2 H 3.85 . 2 486 97 Ser HB3 H 3.93 . 2 487 97 Ser CA C 58.6 . 1 488 97 Ser CB C 63.6 . 1 489 97 Ser N N 115.8 . 1 490 98 Leu H H 8.24 . 1 491 98 Leu HA H 4.26 . 1 492 98 Leu HB2 H 1.52 . 2 493 98 Leu HB3 H 1.64 . 2 494 98 Leu HG H 1.63 . 1 495 98 Leu HD2 H 0.83 . 1 496 98 Leu HD1 H 0.89 . 1 497 98 Leu CA C 55.65 . 1 498 98 Leu CB C 42.19 . 1 499 98 Leu CG C 26.9 . 1 500 98 Leu CD2 C 23.3 . 1 501 98 Leu CD1 C 24.98 . 1 502 98 Leu N N 123.5 . 1 503 99 Glu H H 8.19 . 1 504 99 Glu HA H 4.13 . 1 505 99 Glu HB2 H 1.87 . 2 506 99 Glu HB3 H 1.87 . 2 507 99 Glu HG2 H 2.11 . 2 508 99 Glu HG3 H 2.18 . 2 509 99 Glu CA C 56.85 . 1 510 99 Glu CB C 29.9 . 1 511 99 Glu CG C 36.12 . 1 512 99 Glu N N 119.9 . 1 513 100 His HD2 H 6.96 . 1 9513 100 His H H 8.20 . 1 988 100 His HA H 4.56 . 1 989 100 His HB2 H 3.05 . 2 990 100 His HB3 H 2.99 . 2 514 100 His CA C 55.835 . 1 515 100 His CB C 30.37 . 1 516 100 His N N 118.8 . 1 2000 57 Arg HE H 8.86 . 1 2001 62 Arg HE H 7.35 . 1 2002 6 Arg HE H 7.07 . 1 2003 25 Arg HE H 7.44 . 1 2004 25 Arg NE N 83.6 . 1 2005 62 Arg NE N 84.5 . 1 2006 57 Arg NE N 84.7 . 1 2007 6 Arg NE N 84.3 . 1 stop_ save_ ! ! ACO file produced by PDBStat ! Version: 4.01 *DEVEL* 2005-07-19 (troberto.quifis.uv.es) ! dihedral assign (resid 3 and name C ) (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) 1.0 -72.62 40.00 2 assign (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) (resid 5 and name N ) 1.0 128.46 50.00 2 assign (resid 4 and name C ) (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) 1.0 -115.80 40.00 2 assign (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) (resid 6 and name N ) 1.0 135.00 50.00 2 assign (resid 5 and name C ) (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) 1.0 -118.60 40.00 2 assign (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) (resid 7 and name N ) 1.0 142.92 50.00 2 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) 1.0 -125.75 40.00 2 assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) (resid 8 and name N ) 1.0 130.81 50.00 2 assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) 1.0 -98.35 40.00 2 assign (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) (resid 12 and name N ) 1.0 128.93 50.00 2 assign (resid 11 and name C ) (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) 1.0 -121.01 40.00 2 assign (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) (resid 13 and name N ) 1.0 148.43 50.00 2 assign (resid 12 and name C ) (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) 1.0 -119.06 40.00 2 assign (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) (resid 14 and name N ) 1.0 130.95 50.00 2 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) 1.0 -114.55 40.00 2 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) (resid 18 and name N ) 1.0 123.64 50.00 2 assign (resid 17 and name C ) (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) 1.0 -121.82 40.00 2 assign (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) (resid 19 and name N ) 1.0 143.53 50.00 2 assign (resid 18 and name C ) (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) 1.0 -117.21 40.00 2 assign (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) (resid 20 and name N ) 1.0 136.53 50.00 2 assign (resid 19 and name C ) (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name C ) 1.0 -121.15 40.00 2 assign (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name C ) (resid 21 and name N ) 1.0 146.86 50.00 2 assign (resid 23 and name C ) (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) 1.0 -137.27 40.00 2 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) (resid 25 and name N ) 1.0 148.84 50.00 2 assign (resid 25 and name C ) (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) 1.0 -138.86 40.00 2 assign (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) (resid 27 and name N ) 1.0 152.22 50.00 2 assign (resid 26 and name C ) (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) 1.0 -130.00 40.00 2 assign (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) (resid 28 and name N ) 1.0 145.45 50.00 2 assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) 1.0 -124.29 40.00 2 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) (resid 29 and name N ) 1.0 143.12 50.00 2 assign (resid 28 and name C ) (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) 1.0 -130.77 40.00 2 assign (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) (resid 30 and name N ) 1.0 151.83 50.00 2 assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) 1.0 -122.13 40.00 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) (resid 31 and name N ) 1.0 141.85 50.00 2 assign (resid 30 and name C ) (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) 1.0 -116.73 40.00 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) (resid 32 and name N ) 1.0 132.17 50.00 2 assign (resid 31 and name C ) (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) 1.0 -89.73 40.00 2 assign (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) (resid 33 and name N ) 1.0 126.52 50.00 2 assign (resid 33 and name C ) (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) 1.0 -116.24 40.00 2 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) (resid 35 and name N ) 1.0 161.77 50.00 2 assign (resid 34 and name C ) (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) 1.0 -61.84 40.00 2 assign (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) (resid 36 and name N ) 1.0 -32.85 50.00 2 assign (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) 1.0 -67.44 40.00 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) (resid 37 and name N ) 1.0 -30.94 50.00 2 assign (resid 37 and name C ) (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) 1.0 -60.96 40.00 2 assign (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) (resid 39 and name N ) 1.0 -40.66 50.00 2 assign (resid 38 and name C ) (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) 1.0 -59.85 40.00 2 assign (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) (resid 40 and name N ) 1.0 -46.10 50.00 2 assign (resid 39 and name C ) (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) 1.0 -60.98 40.00 2 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) (resid 41 and name N ) 1.0 -42.17 50.00 2 assign (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) 1.0 -68.77 40.00 2 assign (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) (resid 42 and name N ) 1.0 -40.27 50.00 2 assign (resid 41 and name C ) (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) 1.0 -66.61 40.00 2 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) (resid 43 and name N ) 1.0 -38.84 50.00 2 assign (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) 1.0 -71.61 40.00 2 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) (resid 44 and name N ) 1.0 -41.64 50.00 2 assign (resid 44 and name C ) (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) 1.0 -129.46 40.00 2 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) (resid 46 and name N ) 1.0 144.57 50.00 2 assign (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) 1.0 -127.90 40.00 2 assign (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) (resid 51 and name N ) 1.0 147.94 50.00 2 assign (resid 50 and name C ) (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) 1.0 -82.75 40.00 2 assign (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) (resid 52 and name N ) 1.0 126.89 50.00 2 assign (resid 51 and name C ) (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) 1.0 -100.27 40.00 2 assign (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) (resid 53 and name N ) 1.0 129.04 50.00 2 assign (resid 52 and name C ) (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) 1.0 -118.15 40.00 2 assign (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) (resid 54 and name N ) 1.0 143.37 50.00 2 assign (resid 53 and name C ) (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) 1.0 -103.11 40.00 2 assign (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) (resid 55 and name N ) 1.0 128.84 50.00 2 assign (resid 59 and name C ) (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) 1.0 -119.89 40.00 2 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) (resid 61 and name N ) 1.0 133.60 50.00 2 assign (resid 60 and name C ) (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) 1.0 -125.22 40.00 2 assign (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) (resid 62 and name N ) 1.0 136.38 50.00 2 assign (resid 61 and name C ) (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) 1.0 -111.69 40.00 2 assign (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) (resid 63 and name N ) 1.0 140.05 50.00 2 assign (resid 63 and name C ) (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) 1.0 -124.39 40.00 2 assign (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) (resid 65 and name N ) 1.0 141.77 50.00 2 assign (resid 64 and name C ) (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) 1.0 -84.34 40.00 2 assign (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) (resid 66 and name N ) 1.0 131.10 50.00 2 assign (resid 86 and name C ) (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name C ) 1.0 -126.33 40.00 2 assign (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name C ) (resid 88 and name N ) 1.0 132.86 50.00 2 assign (resid 87 and name C ) (resid 88 and name N ) (resid 88 and name CA ) (resid 88 and name C ) 1.0 -126.96 40.00 2 assign (resid 88 and name N ) (resid 88 and name CA ) (resid 88 and name C ) (resid 89 and name N ) 1.0 130.92 50.00 2 assign (resid 88 and name C ) (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name C ) 1.0 -109.85 40.00 2 assign (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name C ) (resid 90 and name N ) 1.0 125.44 50.00 2 assign (resid 92 and name C ) (resid 93 and name N ) (resid 93 and name CA ) (resid 93 and name C ) 1.0 -71.34 40.00 2 assign (resid 93 and name N ) (resid 93 and name CA ) (resid 93 and name C ) (resid 94 and name N ) 1.0 -29.15 50.00 2 end Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 14.867 5.162 2.981 2 2H MET 1 2H MET 1 14.583 5.004 1.313 3 3H MET 1 3H MET 1 13.814 3.971 2.403 4 HA MET 1 HA MET 1 12.536 5.755 3.317 5 1HB MET 1 2HB MET 1 14.036 7.445 1.298 6 2HB MET 1 1HB MET 1 12.631 7.991 2.205 7 1HG MET 1 2HG MET 1 13.859 7.686 4.292 8 2HG MET 1 1HG MET 1 15.265 7.139 3.385 9 1HE MET 1 1HE MET 1 15.284 9.078 0.876 10 2HE MET 1 2HE MET 1 16.717 8.675 1.822 11 3HE MET 1 3HE MET 1 16.337 10.362 1.467 12 H VAL 2 H VAL 2 10.804 4.670 2.594 13 HA VAL 2 HA VAL 2 10.490 4.067 -0.203 14 HB VAL 2 HB VAL 2 8.502 3.609 2.024 15 1HG1 VAL 2 1HG1 VAL 2 7.669 1.819 0.540 16 2HG1 VAL 2 2HG1 VAL 2 8.798 2.356 -0.702 17 3HG1 VAL 2 3HG1 VAL 2 7.505 3.427 -0.167 18 1HG2 VAL 2 1HG2 VAL 2 10.697 1.809 1.009 19 2HG2 VAL 2 2HG2 VAL 2 9.429 1.329 2.136 20 3HG2 VAL 2 3HG2 VAL 2 10.605 2.557 2.602 21 H LYS 3 H LYS 3 10.430 6.258 -0.978 22 HA LYS 3 HA LYS 3 7.823 7.560 -0.630 23 1HB LYS 3 2HB LYS 3 9.798 9.009 -0.399 24 2HB LYS 3 1HB LYS 3 10.333 8.546 -2.009 25 1HG LYS 3 2HG LYS 3 8.310 9.563 -2.960 26 2HG LYS 3 1HG LYS 3 7.817 10.063 -1.343 27 1HD LYS 3 2HD LYS 3 8.871 11.912 -2.510 28 2HD LYS 3 1HD LYS 3 9.865 11.406 -1.144 29 1HE LYS 3 2HE LYS 3 11.300 10.130 -2.665 30 2HE LYS 3 1HE LYS 3 10.301 10.630 -4.029 31 1HZ LYS 3 1HZ LYS 3 10.956 12.886 -3.708 32 2HZ LYS 3 2HZ LYS 3 12.362 11.942 -3.741 33 3HZ LYS 3 3HZ LYS 3 11.762 12.519 -2.265 34 H THR 4 H THR 4 10.033 6.317 -3.093 35 HA THR 4 HA THR 4 8.105 6.579 -5.203 36 HB THR 4 HB THR 4 10.648 4.951 -5.245 37 HG1 THR 4 HG1 THR 4 10.261 7.721 -5.841 38 1HG2 THR 4 1HG2 THR 4 9.108 6.328 -7.450 39 2HG2 THR 4 2HG2 THR 4 9.094 4.595 -7.123 40 3HG2 THR 4 3HG2 THR 4 10.582 5.385 -7.643 41 H LEU 5 H LEU 5 6.330 5.413 -4.535 42 HA LEU 5 HA LEU 5 6.689 2.492 -4.433 43 1HB LEU 5 2HB LEU 5 5.984 3.559 -2.265 44 2HB LEU 5 1HB LEU 5 4.519 4.089 -3.067 45 HG LEU 5 HG LEU 5 3.967 1.688 -3.505 46 1HD1 LEU 5 1HD1 LEU 5 5.154 -0.019 -2.227 47 2HD1 LEU 5 2HD1 LEU 5 6.283 1.201 -1.638 48 3HD1 LEU 5 3HD1 LEU 5 6.238 0.797 -3.355 49 1HD2 LEU 5 1HD2 LEU 5 4.349 2.437 -0.610 50 2HD2 LEU 5 2HD2 LEU 5 3.216 1.240 -1.241 51 3HD2 LEU 5 3HD2 LEU 5 3.004 2.948 -1.628 52 H ARG 6 H ARG 6 5.609 1.377 -5.963 53 HA ARG 6 HA ARG 6 3.399 2.773 -7.317 54 1HB ARG 6 2HB ARG 6 5.576 1.100 -8.574 55 2HB ARG 6 1HB ARG 6 4.093 1.544 -9.409 56 1HG ARG 6 2HG ARG 6 4.661 3.919 -9.101 57 2HG ARG 6 1HG ARG 6 6.177 3.436 -8.340 58 1HD ARG 6 2HD ARG 6 5.342 2.709 -11.145 59 2HD ARG 6 1HD ARG 6 6.419 4.041 -10.728 60 HE ARG 6 HE ARG 6 7.209 1.401 -9.788 61 1HH1 ARG 6 1HH1 ARG 6 7.521 3.880 -12.234 62 2HH1 ARG 6 2HH1 ARG 6 9.066 3.325 -12.794 63 1HH2 ARG 6 1HH2 ARG 6 9.207 0.625 -10.527 64 2HH2 ARG 6 2HH2 ARG 6 10.011 1.436 -11.849 65 H LEU 7 H LEU 7 1.565 1.725 -7.444 66 HA LEU 7 HA LEU 7 1.522 -1.134 -6.752 67 1HB LEU 7 2HB LEU 7 -0.725 0.890 -6.701 68 2HB LEU 7 1HB LEU 7 -0.858 -0.795 -6.235 69 HG LEU 7 HG LEU 7 0.803 1.298 -4.830 70 1HD1 LEU 7 1HD1 LEU 7 -1.750 -0.095 -4.035 71 2HD1 LEU 7 2HD1 LEU 7 -1.572 1.606 -4.467 72 3HD1 LEU 7 3HD1 LEU 7 -0.805 0.983 -3.007 73 1HD2 LEU 7 1HD2 LEU 7 0.321 -1.600 -4.138 74 2HD2 LEU 7 2HD2 LEU 7 1.192 -0.431 -3.147 75 3HD2 LEU 7 3HD2 LEU 7 1.839 -0.914 -4.714 76 H ASN 8 H ASN 8 2.036 -1.902 -8.774 77 HA ASN 8 HA ASN 8 1.742 -2.597 -10.909 78 1HB ASN 8 2HB ASN 8 -0.304 -3.569 -9.827 79 2HB ASN 8 1HB ASN 8 -1.203 -2.168 -10.392 80 1HD2 ASN 8 1HD2 ASN 8 1.363 -3.717 -12.243 81 2HD2 ASN 8 2HD2 ASN 8 0.325 -4.342 -13.481 82 H ASN 9 H ASN 9 2.780 -0.539 -11.482 83 HA ASN 9 HA ASN 9 3.085 1.089 -13.023 84 1HB ASN 9 2HB ASN 9 0.262 0.465 -13.900 85 2HB ASN 9 1HB ASN 9 1.352 1.560 -14.738 86 1HD2 ASN 9 1HD2 ASN 9 0.521 -1.715 -14.107 87 2HD2 ASN 9 2HD2 ASN 9 1.635 -2.441 -15.214 88 H VAL 10 H VAL 10 0.601 1.266 -10.710 89 HA VAL 10 HA VAL 10 0.090 4.097 -11.215 90 HB VAL 10 HB VAL 10 -1.119 2.307 -9.094 91 1HG1 VAL 10 1HG1 VAL 10 -2.823 4.055 -8.913 92 2HG1 VAL 10 2HG1 VAL 10 -1.967 5.020 -10.118 93 3HG1 VAL 10 3HG1 VAL 10 -1.218 4.694 -8.554 94 1HG2 VAL 10 1HG2 VAL 10 -2.121 3.067 -11.833 95 2HG2 VAL 10 2HG2 VAL 10 -3.108 2.300 -10.590 96 3HG2 VAL 10 3HG2 VAL 10 -1.713 1.448 -11.257 97 H THR 11 H THR 11 1.572 5.434 -10.422 98 HA THR 11 HA THR 11 3.209 4.799 -8.188 99 HB THR 11 HB THR 11 4.014 6.283 -9.963 100 HG1 THR 11 HG1 THR 11 4.120 8.169 -8.028 101 1HG2 THR 11 1HG2 THR 11 1.899 7.408 -10.482 102 2HG2 THR 11 2HG2 THR 11 3.195 8.567 -10.185 103 3HG2 THR 11 3HG2 THR 11 1.980 8.266 -8.943 104 H LEU 12 H LEU 12 3.106 5.594 -6.067 105 HA LEU 12 HA LEU 12 0.479 6.695 -5.315 106 1HB LEU 12 2HB LEU 12 0.497 4.257 -5.066 107 2HB LEU 12 1HB LEU 12 1.906 4.372 -4.028 108 HG LEU 12 HG LEU 12 0.437 5.831 -2.510 109 1HD1 LEU 12 1HD1 LEU 12 -1.954 5.432 -2.661 110 2HD1 LEU 12 2HD1 LEU 12 -1.719 4.483 -4.129 111 3HD1 LEU 12 3HD1 LEU 12 -1.355 6.210 -4.128 112 1HD2 LEU 12 1HD2 LEU 12 -0.530 3.832 -1.439 113 2HD2 LEU 12 2HD2 LEU 12 1.162 3.622 -1.889 114 3HD2 LEU 12 3HD2 LEU 12 -0.107 2.889 -2.870 115 H GLU 13 H GLU 13 0.424 8.039 -3.612 116 HA GLU 13 HA GLU 13 2.867 8.400 -2.020 117 1HB GLU 13 2HB GLU 13 0.755 10.369 -2.857 118 2HB GLU 13 1HB GLU 13 1.665 10.634 -1.380 119 1HG GLU 13 2HG GLU 13 2.823 11.867 -2.943 120 2HG GLU 13 1HG GLU 13 3.748 10.372 -2.855 121 H MET 14 H MET 14 2.277 9.155 0.301 122 HA MET 14 HA MET 14 -0.232 8.180 1.295 123 1HB MET 14 2HB MET 14 1.010 6.578 2.917 124 2HB MET 14 1HB MET 14 0.661 6.026 1.281 125 1HG MET 14 2HG MET 14 2.873 5.368 1.850 126 2HG MET 14 1HG MET 14 2.977 6.652 0.648 127 1HE MET 14 1HE MET 14 6.156 7.403 2.671 128 2HE MET 14 2HE MET 14 5.438 7.153 1.079 129 3HE MET 14 3HE MET 14 5.509 5.822 2.232 130 H ALA 15 H ALA 15 0.070 8.033 3.851 131 HA ALA 15 HA ALA 15 1.474 10.498 4.636 132 1HB ALA 15 1HB ALA 15 -0.961 10.769 4.620 133 2HB ALA 15 2HB ALA 15 -0.296 10.903 6.249 134 3HB ALA 15 3HB ALA 15 -1.111 9.420 5.748 135 H ALA 16 H ALA 16 0.275 7.359 5.726 136 HA ALA 16 HA ALA 16 2.610 7.183 7.484 137 1HB ALA 16 1HB ALA 16 0.688 7.648 8.898 138 2HB ALA 16 2HB ALA 16 1.264 6.002 9.163 139 3HB ALA 16 3HB ALA 16 -0.182 6.285 8.191 140 H TYR 17 H TYR 17 3.484 6.066 5.619 141 HA TYR 17 HA TYR 17 2.577 3.425 5.005 142 1HB TYR 17 2HB TYR 17 3.961 4.689 3.432 143 2HB TYR 17 1HB TYR 17 5.270 4.754 4.604 144 HD1 TYR 17 HD1 TYR 17 3.429 2.598 2.268 145 HD2 TYR 17 HD2 TYR 17 6.727 2.863 4.939 146 HE1 TYR 17 HE1 TYR 17 4.355 0.528 1.323 147 HE2 TYR 17 HE2 TYR 17 7.659 0.792 4.003 148 HH TYR 17 HH TYR 17 6.839 -1.210 2.796 149 H GLN 18 H GLN 18 2.585 1.829 6.464 150 HA GLN 18 HA GLN 18 4.975 1.516 8.152 151 1HB GLN 18 2HB GLN 18 3.244 2.410 9.580 152 2HB GLN 18 1HB GLN 18 2.090 1.217 9.000 153 1HG GLN 18 2HG GLN 18 3.400 -0.560 10.032 154 2HG GLN 18 1HG GLN 18 4.572 0.627 10.603 155 1HE2 GLN 18 1HE2 GLN 18 1.341 -0.608 10.954 156 2HE2 GLN 18 2HE2 GLN 18 1.012 0.115 12.492 157 H GLU 19 H GLU 19 5.944 -0.263 7.426 158 HA GLU 19 HA GLU 19 4.259 -2.551 6.693 159 1HB GLU 19 2HB GLU 19 6.343 -3.400 5.535 160 2HB GLU 19 1HB GLU 19 5.603 -1.969 4.833 161 1HG GLU 19 2HG GLU 19 7.692 -1.185 4.813 162 2HG GLU 19 1HG GLU 19 7.381 -0.830 6.509 163 H GLU 20 H GLU 20 4.282 -4.317 7.880 164 HA GLU 20 HA GLU 20 6.078 -4.482 10.161 165 1HB GLU 20 2HB GLU 20 3.539 -5.043 10.158 166 2HB GLU 20 1HB GLU 20 4.026 -6.548 9.391 167 1HG GLU 20 2HG GLU 20 3.796 -6.916 11.739 168 2HG GLU 20 1HG GLU 20 5.506 -7.001 11.316 169 H SER 21 H SER 21 8.011 -5.309 9.825 170 HA SER 21 HA SER 21 8.549 -6.761 7.406 171 1HB SER 21 2HB SER 21 10.489 -6.098 9.618 172 2HB SER 21 1HB SER 21 10.852 -6.424 7.922 173 HG SER 21 HG SER 21 9.324 -4.486 7.615 174 H GLU 22 H GLU 22 7.552 -7.772 10.431 175 HA GLU 22 HA GLU 22 8.857 -10.375 10.038 176 1HB GLU 22 2HB GLU 22 8.647 -8.902 12.644 177 2HB GLU 22 1HB GLU 22 9.088 -10.591 12.514 178 1HG GLU 22 2HG GLU 22 10.976 -9.956 11.070 179 2HG GLU 22 1HG GLU 22 10.591 -8.261 11.368 180 HA PRO 23 HA PRO 23 6.958 -13.595 10.973 181 1HB PRO 23 2HB PRO 23 4.514 -12.514 12.320 182 2HB PRO 23 1HB PRO 23 5.173 -14.155 12.374 183 1HG PRO 23 2HG PRO 23 5.798 -12.083 14.164 184 2HG PRO 23 1HG PRO 23 6.701 -13.594 13.965 185 1HD PRO 23 2HD PRO 23 7.694 -11.040 13.409 186 2HD PRO 23 1HD PRO 23 8.369 -12.560 12.777 187 H LYS 24 H LYS 24 5.130 -10.816 9.992 188 HA LYS 24 HA LYS 24 4.396 -12.156 7.547 189 1HB LYS 24 2HB LYS 24 2.458 -11.529 9.649 190 2HB LYS 24 1HB LYS 24 2.070 -10.789 8.105 191 1HG LYS 24 2HG LYS 24 2.475 -13.722 8.655 192 2HG LYS 24 1HG LYS 24 0.959 -12.909 8.253 193 1HD LYS 24 2HD LYS 24 1.908 -12.279 6.068 194 2HD LYS 24 1HD LYS 24 3.384 -13.149 6.482 195 1HE LYS 24 2HE LYS 24 2.080 -14.569 5.086 196 2HE LYS 24 1HE LYS 24 2.016 -15.215 6.722 197 1HZ LYS 24 1HZ LYS 24 -0.171 -14.252 7.000 198 2HZ LYS 24 2HZ LYS 24 -0.145 -15.250 5.626 199 3HZ LYS 24 3HZ LYS 24 -0.105 -13.567 5.447 200 H ARG 25 H ARG 25 5.282 -10.795 6.143 201 HA ARG 25 HA ARG 25 5.698 -8.057 6.762 202 1HB ARG 25 2HB ARG 25 6.054 -9.600 4.202 203 2HB ARG 25 1HB ARG 25 6.369 -7.872 4.318 204 1HG ARG 25 2HG ARG 25 7.922 -8.463 6.256 205 2HG ARG 25 1HG ARG 25 7.788 -10.128 5.693 206 1HD ARG 25 2HD ARG 25 8.690 -7.818 3.982 207 2HD ARG 25 1HD ARG 25 9.781 -8.908 4.833 208 HE ARG 25 HE ARG 25 8.012 -10.412 3.227 209 1HH1 ARG 25 1HH1 ARG 25 10.797 -8.279 2.980 210 2HH1 ARG 25 2HH1 ARG 25 11.332 -8.956 1.466 211 1HH2 ARG 25 1HH2 ARG 25 8.736 -11.297 1.250 212 2HH2 ARG 25 2HH2 ARG 25 10.162 -10.657 0.491 213 H LYS 26 H LYS 26 3.814 -7.110 7.229 214 HA LYS 26 HA LYS 26 1.767 -7.024 5.128 215 1HB LYS 26 2HB LYS 26 0.979 -7.695 7.378 216 2HB LYS 26 1HB LYS 26 1.548 -6.161 8.024 217 1HG LYS 26 2HG LYS 26 -0.014 -4.974 6.552 218 2HG LYS 26 1HG LYS 26 -0.595 -6.520 5.939 219 1HD LYS 26 2HD LYS 26 -2.132 -5.683 7.598 220 2HD LYS 26 1HD LYS 26 -1.316 -7.112 8.230 221 1HE LYS 26 2HE LYS 26 0.107 -5.788 9.603 222 2HE LYS 26 1HE LYS 26 -0.425 -4.300 8.823 223 1HZ LYS 26 1HZ LYS 26 -2.540 -4.467 9.824 224 2HZ LYS 26 2HZ LYS 26 -1.424 -4.792 11.064 225 3HZ LYS 26 3HZ LYS 26 -2.270 -6.063 10.331 226 H ILE 27 H ILE 27 1.876 -5.382 3.820 227 HA ILE 27 HA ILE 27 3.247 -2.942 4.605 228 HB ILE 27 HB ILE 27 2.009 -3.700 1.949 229 1HG1 ILE 27 2HG1 ILE 27 4.899 -3.785 2.849 230 2HG1 ILE 27 1HG1 ILE 27 3.867 -5.190 2.627 231 1HG2 ILE 27 1HG2 ILE 27 2.192 -1.304 2.213 232 2HG2 ILE 27 2HG2 ILE 27 3.400 -1.873 1.058 233 3HG2 ILE 27 3HG2 ILE 27 3.878 -1.461 2.706 234 1HD1 ILE 27 1HD1 ILE 27 5.356 -4.912 0.746 235 2HD1 ILE 27 2HD1 ILE 27 4.743 -3.280 0.475 236 3HD1 ILE 27 3HD1 ILE 27 3.682 -4.671 0.244 237 H ALA 28 H ALA 28 1.917 -1.888 5.986 238 HA ALA 28 HA ALA 28 -0.848 -1.379 5.156 239 1HB ALA 28 1HB ALA 28 0.466 -0.957 7.837 240 2HB ALA 28 2HB ALA 28 -0.538 -2.336 7.388 241 3HB ALA 28 3HB ALA 28 -1.243 -0.721 7.469 242 H PHE 29 H PHE 29 -0.729 0.334 3.752 243 HA PHE 29 HA PHE 29 0.657 2.696 4.809 244 1HB PHE 29 2HB PHE 29 0.484 3.569 2.415 245 2HB PHE 29 1HB PHE 29 1.635 2.282 2.730 246 HD1 PHE 29 HD1 PHE 29 -1.558 3.136 1.124 247 HD2 PHE 29 HD2 PHE 29 1.371 0.118 1.771 248 HE1 PHE 29 HE1 PHE 29 -2.508 1.818 -0.722 249 HE2 PHE 29 HE2 PHE 29 0.421 -1.208 -0.066 250 HZ PHE 29 HZ PHE 29 -1.521 -0.358 -1.316 251 H THR 30 H THR 30 -0.411 4.399 5.403 252 HA THR 30 HA THR 30 -3.291 4.397 5.273 253 HB THR 30 HB THR 30 -1.491 6.575 6.349 254 HG1 THR 30 HG1 THR 30 -1.765 4.060 7.192 255 1HG2 THR 30 1HG2 THR 30 -3.837 7.206 6.061 256 2HG2 THR 30 2HG2 THR 30 -3.422 7.080 7.772 257 3HG2 THR 30 3HG2 THR 30 -4.336 5.792 6.987 258 H LEU 31 H LEU 31 -4.269 5.014 3.488 259 HA LEU 31 HA LEU 31 -3.038 7.038 1.750 260 1HB LEU 31 2HB LEU 31 -4.046 4.595 1.141 261 2HB LEU 31 1HB LEU 31 -5.482 5.573 0.929 262 HG LEU 31 HG LEU 31 -2.879 6.169 -0.477 263 1HD1 LEU 31 1HD1 LEU 31 -3.676 3.953 -1.134 264 2HD1 LEU 31 2HD1 LEU 31 -3.853 5.120 -2.444 265 3HD1 LEU 31 3HD1 LEU 31 -5.262 4.635 -1.500 266 1HD2 LEU 31 1HD2 LEU 31 -4.439 8.043 -0.285 267 2HD2 LEU 31 2HD2 LEU 31 -5.713 7.055 -0.997 268 3HD2 LEU 31 3HD2 LEU 31 -4.296 7.490 -1.952 269 H ASN 32 H ASN 32 -3.758 9.087 2.182 270 HA ASN 32 HA ASN 32 -6.422 9.383 3.282 271 1HB ASN 32 2HB ASN 32 -5.747 11.823 3.486 272 2HB ASN 32 1HB ASN 32 -4.906 10.674 4.498 273 1HD2 ASN 32 1HD2 ASN 32 -4.326 11.313 1.078 274 2HD2 ASN 32 2HD2 ASN 32 -2.758 12.005 1.295 275 H VAL 33 H VAL 33 -7.647 8.852 1.514 276 HA VAL 33 HA VAL 33 -7.482 10.238 -0.991 277 HB VAL 33 HB VAL 33 -9.706 8.573 0.207 278 1HG1 VAL 33 1HG1 VAL 33 -10.600 8.389 -2.041 279 2HG1 VAL 33 2HG1 VAL 33 -9.314 9.424 -2.658 280 3HG1 VAL 33 3HG1 VAL 33 -10.521 10.082 -1.552 281 1HG2 VAL 33 1HG2 VAL 33 -8.859 6.792 -1.251 282 2HG2 VAL 33 2HG2 VAL 33 -7.651 7.314 -0.077 283 3HG2 VAL 33 3HG2 VAL 33 -7.537 7.845 -1.755 284 H THR 34 H THR 34 -9.006 11.862 -1.765 285 HA THR 34 HA THR 34 -10.023 13.429 0.489 286 HB THR 34 HB THR 34 -9.610 15.346 -0.628 287 HG1 THR 34 HG1 THR 34 -9.814 15.507 -2.955 288 1HG2 THR 34 1HG2 THR 34 -7.476 14.158 -0.662 289 2HG2 THR 34 2HG2 THR 34 -7.631 15.193 -2.082 290 3HG2 THR 34 3HG2 THR 34 -7.874 13.452 -2.230 291 H SER 35 H SER 35 -12.084 14.711 -0.001 292 HA SER 35 HA SER 35 -14.092 12.735 -0.473 293 1HB SER 35 2HB SER 35 -15.585 14.843 -0.021 294 2HB SER 35 1HB SER 35 -14.638 14.132 1.287 295 HG SER 35 HG SER 35 -14.484 16.493 0.991 296 H GLU 36 H GLU 36 -12.398 14.559 -2.588 297 HA GLU 36 HA GLU 36 -14.300 15.672 -4.319 298 1HB GLU 36 2HB GLU 36 -11.839 16.099 -4.360 299 2HB GLU 36 1HB GLU 36 -11.607 14.496 -5.038 300 1HG GLU 36 2HG GLU 36 -11.498 16.153 -6.776 301 2HG GLU 36 1HG GLU 36 -12.926 15.142 -6.996 302 H THR 37 H THR 37 -12.583 12.566 -4.579 303 HA THR 37 HA THR 37 -14.657 11.630 -6.440 304 HB THR 37 HB THR 37 -12.899 9.834 -6.945 305 HG1 THR 37 HG1 THR 37 -10.865 10.184 -6.199 306 1HG2 THR 37 1HG2 THR 37 -12.251 12.721 -7.582 307 2HG2 THR 37 2HG2 THR 37 -13.364 11.687 -8.478 308 3HG2 THR 37 3HG2 THR 37 -11.641 11.313 -8.452 309 H TYR 38 H TYR 38 -14.148 11.575 -3.298 310 HA TYR 38 HA TYR 38 -13.852 8.952 -2.434 311 1HB TYR 38 2HB TYR 38 -13.605 10.859 -0.960 312 2HB TYR 38 1HB TYR 38 -15.306 11.265 -1.142 313 HD1 TYR 38 HD2 TYR 38 -13.008 8.660 0.197 314 HD2 TYR 38 HD1 TYR 38 -16.906 10.364 0.304 315 HE1 TYR 38 HE2 TYR 38 -13.549 7.292 2.168 316 HE2 TYR 38 HE1 TYR 38 -17.456 9.002 2.271 317 HH TYR 38 HH TYR 38 -16.704 6.895 3.330 318 H HIS 39 H HIS 39 -16.562 10.345 -3.960 319 HA HIS 39 HA HIS 39 -18.718 9.144 -2.693 320 1HB HIS 39 2HB HIS 39 -18.433 9.705 -5.652 321 2HB HIS 39 1HB HIS 39 -19.946 9.420 -4.799 322 HD1 HIS 39 HD1 HIS 39 -20.023 11.253 -2.543 323 HD2 HIS 39 HD2 HIS 39 -18.148 12.331 -6.097 324 HE1 HIS 39 HE1 HIS 39 -19.956 13.771 -2.543 325 HE2 HIS 39 HE2 HIS 39 -18.611 14.379 -4.590 326 H ASP 40 H ASP 40 -17.014 7.926 -5.591 327 HA ASP 40 HA ASP 40 -18.328 5.383 -5.435 328 1HB ASP 40 2HB ASP 40 -15.993 6.354 -7.087 329 2HB ASP 40 1HB ASP 40 -16.684 4.745 -7.226 330 H ILE 41 H ILE 41 -15.357 6.759 -4.308 331 HA ILE 41 HA ILE 41 -13.895 4.369 -3.923 332 HB ILE 41 HB ILE 41 -13.565 7.004 -2.480 333 1HG1 ILE 41 2HG1 ILE 41 -12.258 6.020 -5.025 334 2HG1 ILE 41 1HG1 ILE 41 -13.579 7.183 -4.962 335 1HG2 ILE 41 1HG2 ILE 41 -11.602 4.767 -2.984 336 2HG2 ILE 41 2HG2 ILE 41 -12.351 5.155 -1.436 337 3HG2 ILE 41 3HG2 ILE 41 -11.243 6.302 -2.189 338 1HD1 ILE 41 1HD1 ILE 41 -10.826 7.551 -3.809 339 2HD1 ILE 41 2HD1 ILE 41 -12.148 8.713 -3.699 340 3HD1 ILE 41 3HD1 ILE 41 -11.465 8.302 -5.272 341 H ALA 42 H ALA 42 -16.250 6.061 -1.974 342 HA ALA 42 HA ALA 42 -15.798 4.742 0.482 343 1HB ALA 42 1HB ALA 42 -18.091 5.426 1.043 344 2HB ALA 42 2HB ALA 42 -18.358 5.883 -0.640 345 3HB ALA 42 3HB ALA 42 -17.168 6.750 0.331 346 H VAL 43 H VAL 43 -17.259 3.743 -2.476 347 HA VAL 43 HA VAL 43 -18.598 1.454 -1.296 348 HB VAL 43 HB VAL 43 -18.184 2.047 -4.232 349 1HG1 VAL 43 1HG1 VAL 43 -20.190 0.318 -2.788 350 2HG1 VAL 43 2HG1 VAL 43 -18.837 -0.244 -3.768 351 3HG1 VAL 43 3HG1 VAL 43 -20.172 0.628 -4.523 352 1HG2 VAL 43 1HG2 VAL 43 -20.503 2.849 -2.474 353 2HG2 VAL 43 2HG2 VAL 43 -20.403 3.064 -4.222 354 3HG2 VAL 43 3HG2 VAL 43 -19.300 3.939 -3.160 355 H LEU 44 H LEU 44 -15.654 2.247 -3.010 356 HA LEU 44 HA LEU 44 -14.817 -0.422 -3.518 357 1HB LEU 44 2HB LEU 44 -13.492 2.251 -3.528 358 2HB LEU 44 1HB LEU 44 -12.476 0.825 -3.477 359 HG LEU 44 HG LEU 44 -12.691 1.570 -5.758 360 1HD1 LEU 44 1HD1 LEU 44 -13.584 -0.454 -6.803 361 2HD1 LEU 44 2HD1 LEU 44 -14.324 -0.913 -5.271 362 3HD1 LEU 44 3HD1 LEU 44 -12.568 -0.828 -5.410 363 1HD2 LEU 44 1HD2 LEU 44 -14.808 2.781 -5.561 364 2HD2 LEU 44 2HD2 LEU 44 -15.670 1.249 -5.419 365 3HD2 LEU 44 3HD2 LEU 44 -14.827 1.653 -6.916 366 H LEU 45 H LEU 45 -13.524 -1.770 -2.358 367 HA LEU 45 HA LEU 45 -12.252 -0.992 0.057 368 1HB LEU 45 2HB LEU 45 -13.488 -2.290 1.634 369 2HB LEU 45 1HB LEU 45 -14.610 -1.215 0.830 370 HG LEU 45 HG LEU 45 -14.299 -4.143 0.143 371 1HD1 LEU 45 1HD1 LEU 45 -16.339 -2.791 1.902 372 2HD1 LEU 45 2HD1 LEU 45 -15.072 -3.895 2.438 373 3HD1 LEU 45 3HD1 LEU 45 -16.371 -4.478 1.395 374 1HD2 LEU 45 1HD2 LEU 45 -16.446 -2.140 -0.557 375 2HD2 LEU 45 2HD2 LEU 45 -16.461 -3.857 -0.958 376 3HD2 LEU 45 3HD2 LEU 45 -15.240 -2.800 -1.664 377 H TYR 46 H TYR 46 -10.428 -1.879 -0.426 378 HA TYR 46 HA TYR 46 -8.792 -3.478 -0.446 379 1HB TYR 46 2HB TYR 46 -10.753 -5.742 -0.597 380 2HB TYR 46 1HB TYR 46 -9.172 -5.690 0.167 381 HD1 TYR 46 HD1 TYR 46 -9.103 -3.863 2.188 382 HD2 TYR 46 HD2 TYR 46 -12.543 -5.917 0.773 383 HE1 TYR 46 HE1 TYR 46 -10.194 -3.501 4.359 384 HE2 TYR 46 HE2 TYR 46 -13.654 -5.569 2.946 385 HH TYR 46 HH TYR 46 -12.630 -3.366 5.189 386 H GLU 47 H GLU 47 -11.473 -4.963 -2.205 387 HA GLU 47 HA GLU 47 -11.953 -5.081 -4.405 388 1HB GLU 47 2HB GLU 47 -10.174 -2.942 -4.338 389 2HB GLU 47 1HB GLU 47 -9.513 -4.022 -5.564 390 1HG GLU 47 2HG GLU 47 -12.398 -3.260 -5.600 391 2HG GLU 47 1HG GLU 47 -11.170 -2.173 -6.247 392 H LYS 48 H LYS 48 -8.395 -5.356 -4.353 393 HA LYS 48 HA LYS 48 -8.632 -7.966 -5.644 394 1HB LYS 48 2HB LYS 48 -8.766 -5.828 -7.226 395 2HB LYS 48 1HB LYS 48 -7.021 -5.875 -7.040 396 1HG LYS 48 2HG LYS 48 -7.540 -7.043 -9.024 397 2HG LYS 48 1HG LYS 48 -7.098 -8.240 -7.811 398 1HD LYS 48 2HD LYS 48 -9.074 -8.887 -9.159 399 2HD LYS 48 1HD LYS 48 -9.403 -8.797 -7.429 400 1HE LYS 48 2HE LYS 48 -11.201 -7.796 -8.756 401 2HE LYS 48 1HE LYS 48 -10.419 -6.614 -7.709 402 1HZ LYS 48 1HZ LYS 48 -10.731 -5.615 -9.819 403 2HZ LYS 48 2HZ LYS 48 -10.065 -6.935 -10.637 404 3HZ LYS 48 3HZ LYS 48 -9.074 -5.942 -9.688 405 H THR 49 H THR 49 -6.158 -8.377 -6.523 406 HA THR 49 HA THR 49 -4.429 -8.172 -4.219 407 HB THR 49 HB THR 49 -4.239 -10.243 -5.314 408 HG1 THR 49 HG1 THR 49 -2.184 -9.380 -4.799 409 1HG2 THR 49 1HG2 THR 49 -3.825 -10.547 -7.693 410 2HG2 THR 49 2HG2 THR 49 -3.800 -8.800 -7.927 411 3HG2 THR 49 3HG2 THR 49 -5.295 -9.604 -7.444 412 H PHE 50 H PHE 50 -2.288 -7.262 -4.370 413 HA PHE 50 HA PHE 50 -2.236 -4.971 -6.229 414 1HB PHE 50 2HB PHE 50 -1.489 -4.977 -3.305 415 2HB PHE 50 1HB PHE 50 -1.158 -3.647 -4.408 416 HD1 PHE 50 HD1 PHE 50 -3.011 -2.341 -5.360 417 HD2 PHE 50 HD2 PHE 50 -3.649 -5.323 -2.395 418 HE1 PHE 50 HE1 PHE 50 -5.227 -1.385 -4.881 419 HE2 PHE 50 HE2 PHE 50 -5.864 -4.379 -1.913 420 HZ PHE 50 HZ PHE 50 -6.657 -2.408 -3.154 421 H ASN 51 H ASN 51 -0.443 -4.671 -7.328 422 HA ASN 51 HA ASN 51 1.872 -6.336 -6.726 423 1HB ASN 51 2HB ASN 51 0.973 -6.213 -9.064 424 2HB ASN 51 1HB ASN 51 1.426 -4.513 -9.102 425 1HD2 ASN 51 1HD2 ASN 51 3.627 -3.962 -9.145 426 2HD2 ASN 51 2HD2 ASN 51 4.835 -5.106 -9.607 427 H VAL 52 H VAL 52 2.642 -5.285 -4.913 428 HA VAL 52 HA VAL 52 3.200 -2.458 -4.906 429 HB VAL 52 HB VAL 52 4.178 -4.550 -2.952 430 1HG1 VAL 52 1HG1 VAL 52 5.355 -2.447 -2.773 431 2HG1 VAL 52 2HG1 VAL 52 4.288 -2.656 -1.384 432 3HG1 VAL 52 3HG1 VAL 52 3.829 -1.567 -2.694 433 1HG2 VAL 52 1HG2 VAL 52 2.244 -3.985 -1.566 434 2HG2 VAL 52 2HG2 VAL 52 1.752 -4.675 -3.113 435 3HG2 VAL 52 3HG2 VAL 52 1.633 -2.935 -2.846 436 H GLU 53 H GLU 53 4.834 -1.701 -6.078 437 HA GLU 53 HA GLU 53 7.319 -3.275 -6.161 438 1HB GLU 53 2HB GLU 53 5.985 -3.216 -8.316 439 2HB GLU 53 1HB GLU 53 6.291 -1.488 -8.372 440 1HG GLU 53 2HG GLU 53 8.553 -3.436 -8.203 441 2HG GLU 53 1HG GLU 53 7.771 -3.082 -9.742 442 H VAL 54 H VAL 54 8.984 -2.389 -5.386 443 HA VAL 54 HA VAL 54 9.163 0.528 -5.246 444 HB VAL 54 HB VAL 54 8.404 -0.219 -3.065 445 1HG1 VAL 54 1HG1 VAL 54 10.826 -1.997 -3.034 446 2HG1 VAL 54 2HG1 VAL 54 9.140 -2.512 -3.087 447 3HG1 VAL 54 3HG1 VAL 54 9.768 -1.691 -1.656 448 1HG2 VAL 54 1HG2 VAL 54 10.212 0.696 -1.695 449 2HG2 VAL 54 2HG2 VAL 54 9.915 1.648 -3.151 450 3HG2 VAL 54 3HG2 VAL 54 11.298 0.560 -3.077 451 HA PRO 55 HA PRO 55 12.944 -0.665 -7.279 452 1HB PRO 55 2HB PRO 55 13.866 1.870 -7.687 453 2HB PRO 55 1HB PRO 55 12.627 1.107 -8.687 454 1HG PRO 55 2HG PRO 55 12.321 3.057 -6.443 455 2HG PRO 55 1HG PRO 55 11.459 2.982 -7.991 456 1HD PRO 55 2HD PRO 55 10.383 2.090 -5.670 457 2HD PRO 55 1HD PRO 55 10.003 1.363 -7.243 458 H GLU 56 H GLU 56 12.846 1.554 -4.529 459 HA GLU 56 HA GLU 56 15.611 1.748 -4.086 460 1HB GLU 56 2HB GLU 56 14.078 3.287 -3.005 461 2HB GLU 56 1HB GLU 56 13.328 1.966 -2.117 462 1HG GLU 56 2HG GLU 56 15.514 1.551 -1.011 463 2HG GLU 56 1HG GLU 56 16.136 2.997 -1.800 464 H ARG 57 H ARG 57 13.248 -0.264 -2.334 465 HA ARG 57 HA ARG 57 15.382 -1.748 -1.076 466 1HB ARG 57 2HB ARG 57 12.387 -2.133 -0.907 467 2HB ARG 57 1HB ARG 57 13.587 -2.864 0.150 468 1HG ARG 57 2HG ARG 57 14.202 -0.681 1.007 469 2HG ARG 57 1HG ARG 57 13.065 0.093 -0.099 470 1HD ARG 57 2HD ARG 57 12.126 -0.084 2.145 471 2HD ARG 57 1HD ARG 57 11.211 -1.060 0.998 472 HE ARG 57 HE ARG 57 12.922 -2.858 1.987 473 1HH1 ARG 57 1HH1 ARG 57 10.865 -0.515 3.587 474 2HH1 ARG 57 2HH1 ARG 57 10.660 -1.477 5.023 475 1HH2 ARG 57 1HH2 ARG 57 12.676 -4.118 3.878 476 2HH2 ARG 57 2HH2 ARG 57 11.727 -3.502 5.206 477 H ASP 58 H ASP 58 14.042 -1.866 -4.022 478 HA ASP 58 HA ASP 58 13.719 -3.378 -5.667 479 1HB ASP 58 2HB ASP 58 16.084 -3.820 -5.391 480 2HB ASP 58 1HB ASP 58 15.755 -4.935 -4.068 481 H LEU 59 H LEU 59 11.544 -3.663 -5.019 482 HA LEU 59 HA LEU 59 11.044 -6.441 -4.282 483 1HB LEU 59 2HB LEU 59 10.532 -4.218 -2.558 484 2HB LEU 59 1HB LEU 59 9.002 -4.912 -3.055 485 HG LEU 59 HG LEU 59 11.258 -6.407 -1.718 486 1HD1 LEU 59 1HD1 LEU 59 8.555 -5.553 -0.689 487 2HD1 LEU 59 2HD1 LEU 59 10.107 -4.866 -0.214 488 3HD1 LEU 59 3HD1 LEU 59 9.726 -6.543 0.182 489 1HD2 LEU 59 1HD2 LEU 59 9.994 -7.806 -3.285 490 2HD2 LEU 59 2HD2 LEU 59 8.492 -7.327 -2.496 491 3HD2 LEU 59 3HD2 LEU 59 9.691 -8.270 -1.611 492 H ALA 60 H ALA 60 10.358 -6.901 -6.348 493 HA ALA 60 HA ALA 60 7.922 -5.573 -7.256 494 1HB ALA 60 1HB ALA 60 9.395 -7.930 -8.449 495 2HB ALA 60 2HB ALA 60 9.587 -6.248 -8.944 496 3HB ALA 60 3HB ALA 60 8.045 -7.068 -9.184 497 H PHE 61 H PHE 61 6.603 -6.076 -5.503 498 HA PHE 61 HA PHE 61 6.262 -8.924 -4.865 499 1HB PHE 61 2HB PHE 61 7.015 -7.437 -3.036 500 2HB PHE 61 1HB PHE 61 5.564 -6.468 -3.241 501 HD1 PHE 61 HD2 PHE 61 6.533 -10.021 -2.633 502 HD2 PHE 61 HD1 PHE 61 3.823 -6.844 -1.810 503 HE1 PHE 61 HE2 PHE 61 5.352 -11.450 -1.013 504 HE2 PHE 61 HE1 PHE 61 2.644 -8.265 -0.186 505 HZ PHE 61 HZ PHE 61 3.405 -10.570 0.213 506 H ARG 62 H ARG 62 4.252 -9.838 -4.822 507 HA ARG 62 HA ARG 62 1.998 -8.147 -5.640 508 1HB ARG 62 2HB ARG 62 2.923 -9.540 -7.530 509 2HB ARG 62 1HB ARG 62 2.461 -10.969 -6.619 510 1HG ARG 62 2HG ARG 62 0.290 -10.756 -7.134 511 2HG ARG 62 1HG ARG 62 0.322 -8.993 -7.016 512 1HD ARG 62 2HD ARG 62 -0.107 -9.728 -9.313 513 2HD ARG 62 1HD ARG 62 1.419 -8.854 -9.187 514 HE ARG 62 HE ARG 62 1.108 -11.757 -9.585 515 1HH1 ARG 62 1HH1 ARG 62 3.152 -8.897 -9.541 516 2HH1 ARG 62 2HH1 ARG 62 4.497 -9.704 -10.285 517 1HH2 ARG 62 1HH2 ARG 62 2.847 -12.782 -10.627 518 2HH2 ARG 62 2HH2 ARG 62 4.320 -11.906 -10.927 519 H GLY 63 H GLY 63 1.195 -8.015 -3.598 520 1HA GLY 63 2HA GLY 63 0.866 -10.491 -2.061 521 2HA GLY 63 1HA GLY 63 0.795 -8.858 -1.412 522 H GLU 64 H GLU 64 -1.134 -10.595 -0.695 523 HA GLU 64 HA GLU 64 -3.398 -9.928 -2.429 524 1HB GLU 64 2HB GLU 64 -4.559 -11.823 -1.238 525 2HB GLU 64 1HB GLU 64 -3.219 -12.276 -2.275 526 1HG GLU 64 2HG GLU 64 -2.928 -13.600 -0.398 527 2HG GLU 64 1HG GLU 64 -1.807 -12.270 -0.138 528 H MET 65 H MET 65 -5.227 -9.019 -1.600 529 HA MET 65 HA MET 65 -4.984 -7.838 1.055 530 1HB MET 65 2HB MET 65 -5.961 -6.837 -1.312 531 2HB MET 65 1HB MET 65 -7.435 -7.315 -0.476 532 1HG MET 65 2HG MET 65 -5.304 -5.479 0.596 533 2HG MET 65 1HG MET 65 -6.871 -4.992 -0.039 534 1HE MET 65 1HE MET 65 -7.056 -4.314 3.840 535 2HE MET 65 2HE MET 65 -7.179 -3.590 2.238 536 3HE MET 65 3HE MET 65 -5.628 -4.193 2.814 537 H THR 66 H THR 66 -5.760 -8.964 2.700 538 HA THR 66 HA THR 66 -7.128 -11.376 2.363 539 HB THR 66 HB THR 66 -7.487 -11.220 4.884 540 HG1 THR 66 HG1 THR 66 -5.723 -8.998 4.644 541 1HG2 THR 66 1HG2 THR 66 -5.603 -12.407 3.842 542 2HG2 THR 66 2HG2 THR 66 -5.139 -11.643 5.362 543 3HG2 THR 66 3HG2 THR 66 -4.674 -10.905 3.827 544 H ASN 67 H ASN 67 -8.297 -8.196 2.483 545 HA ASN 67 HA ASN 67 -10.372 -7.370 2.137 546 1HB ASN 67 2HB ASN 67 -10.762 -10.224 1.412 547 2HB ASN 67 1HB ASN 67 -12.204 -9.246 1.651 548 1HD2 ASN 67 1HD2 ASN 67 -9.298 -9.651 -0.259 549 2HD2 ASN 67 2HD2 ASN 67 -9.836 -8.696 -1.598 550 H TYR 68 H TYR 68 -9.549 -8.821 4.850 551 HA TYR 68 HA TYR 68 -12.232 -8.528 6.041 552 1HB TYR 68 2HB TYR 68 -10.049 -10.407 6.973 553 2HB TYR 68 1HB TYR 68 -11.648 -10.240 7.686 554 HD1 TYR 68 HD2 TYR 68 -13.491 -10.319 5.506 555 HD2 TYR 68 HD1 TYR 68 -9.840 -12.456 5.951 556 HE1 TYR 68 HE2 TYR 68 -14.331 -12.058 3.984 557 HE2 TYR 68 HE1 TYR 68 -10.668 -14.199 4.429 558 HH TYR 68 HH TYR 68 -12.845 -15.081 3.647 559 H SER 69 H SER 69 -9.871 -6.686 5.662 560 HA SER 69 HA SER 69 -8.644 -6.276 8.188 561 1HB SER 69 2HB SER 69 -8.907 -4.325 5.891 562 2HB SER 69 1HB SER 69 -7.710 -4.275 7.188 563 HG SER 69 HG SER 69 -6.692 -5.242 5.521 564 H THR 70 H THR 70 -11.688 -5.392 6.924 565 HA THR 70 HA THR 70 -13.473 -4.318 7.840 566 HB THR 70 HB THR 70 -11.776 -3.635 10.250 567 HG1 THR 70 HG1 THR 70 -11.666 -5.854 10.026 568 1HG2 THR 70 1HG2 THR 70 -13.954 -2.497 10.115 569 2HG2 THR 70 2HG2 THR 70 -13.923 -3.666 11.436 570 3HG2 THR 70 3HG2 THR 70 -14.754 -4.057 9.930 571 H SER 71 H SER 71 -10.749 -3.019 6.760 572 HA SER 71 HA SER 71 -11.384 -0.223 7.230 573 1HB SER 71 2HB SER 71 -9.350 0.131 5.776 574 2HB SER 71 1HB SER 71 -9.051 -0.799 7.241 575 HG SER 71 HG SER 71 -8.063 -1.877 5.564 576 H LEU 72 H LEU 72 -11.040 1.052 4.903 577 HA LEU 72 HA LEU 72 -12.690 -0.274 2.872 578 1HB LEU 72 2HB LEU 72 -13.160 2.522 3.922 579 2HB LEU 72 1HB LEU 72 -13.916 1.864 2.488 580 HG LEU 72 HG LEU 72 -14.821 0.039 4.132 581 1HD1 LEU 72 1HD1 LEU 72 -14.295 2.329 6.021 582 2HD1 LEU 72 2HD1 LEU 72 -13.510 0.749 6.068 583 3HD1 LEU 72 3HD1 LEU 72 -15.241 0.884 6.377 584 1HD2 LEU 72 1HD2 LEU 72 -16.793 1.430 4.547 585 2HD2 LEU 72 2HD2 LEU 72 -16.208 1.596 2.891 586 3HD2 LEU 72 3HD2 LEU 72 -15.878 2.862 4.074 587 H THR 73 H THR 73 -12.781 1.438 0.882 588 HA THR 73 HA THR 73 -11.735 2.832 -0.593 589 HB THR 73 HB THR 73 -9.676 3.159 1.610 590 HG1 THR 73 HG1 THR 73 -12.157 3.947 1.442 591 1HG2 THR 73 1HG2 THR 73 -9.078 5.264 0.490 592 2HG2 THR 73 2HG2 THR 73 -10.119 4.827 -0.868 593 3HG2 THR 73 3HG2 THR 73 -8.691 3.857 -0.505 594 H ASN 74 H ASN 74 -9.526 2.899 -1.886 595 HA ASN 74 HA ASN 74 -8.235 0.303 -1.914 596 1HB ASN 74 2HB ASN 74 -10.134 -0.255 -3.216 597 2HB ASN 74 1HB ASN 74 -10.077 1.267 -4.095 598 1HD2 ASN 74 1HD2 ASN 74 -8.476 -1.823 -3.635 599 2HD2 ASN 74 2HD2 ASN 74 -7.718 -1.864 -5.184 600 H LEU 75 H LEU 75 -8.659 3.070 -4.113 601 HA LEU 75 HA LEU 75 -5.788 3.608 -3.973 602 1HB LEU 75 2HB LEU 75 -7.336 3.046 -6.506 603 2HB LEU 75 1HB LEU 75 -5.800 3.886 -6.502 604 HG LEU 75 HG LEU 75 -6.222 1.062 -5.517 605 1HD1 LEU 75 1HD1 LEU 75 -5.054 0.384 -7.536 606 2HD1 LEU 75 2HD1 LEU 75 -4.956 2.064 -8.062 607 3HD1 LEU 75 3HD1 LEU 75 -6.526 1.268 -7.942 608 1HD2 LEU 75 1HD2 LEU 75 -4.386 2.179 -4.383 609 2HD2 LEU 75 2HD2 LEU 75 -3.717 2.685 -5.935 610 3HD2 LEU 75 3HD2 LEU 75 -3.769 0.973 -5.515 611 H TYR 76 H TYR 76 -6.011 5.425 -6.274 612 HA TYR 76 HA TYR 76 -6.917 7.323 -7.054 613 1HB TYR 76 2HB TYR 76 -8.821 7.102 -4.734 614 2HB TYR 76 1HB TYR 76 -8.781 8.496 -5.810 615 HD1 TYR 76 HD2 TYR 76 -9.473 8.286 -8.141 616 HD2 TYR 76 HD1 TYR 76 -9.706 4.978 -5.479 617 HE1 TYR 76 HE2 TYR 76 -10.944 7.119 -9.731 618 HE2 TYR 76 HE1 TYR 76 -11.173 3.798 -7.057 619 HH TYR 76 HH TYR 76 -12.761 4.422 -8.909 620 H GLU 77 H GLU 77 -6.160 9.175 -6.990 621 HA GLU 77 HA GLU 77 -4.048 10.187 -5.929 622 1HB GLU 77 2HB GLU 77 -5.430 11.419 -7.488 623 2HB GLU 77 1HB GLU 77 -6.597 11.768 -6.224 624 1HG GLU 77 2HG GLU 77 -4.981 13.137 -5.061 625 2HG GLU 77 1HG GLU 77 -3.751 12.729 -6.257 626 HA PRO 78 HA PRO 78 -4.693 10.487 -1.491 627 1HB PRO 78 2HB PRO 78 -1.841 10.627 -1.239 628 2HB PRO 78 1HB PRO 78 -2.895 9.263 -0.866 629 1HG PRO 78 2HG PRO 78 -1.048 9.302 -2.916 630 2HG PRO 78 1HG PRO 78 -2.463 8.238 -2.854 631 1HD PRO 78 2HD PRO 78 -2.077 10.797 -4.351 632 2HD PRO 78 1HD PRO 78 -2.915 9.309 -4.847 633 H GLY 79 H GLY 79 -5.374 12.509 -1.002 634 1HA GLY 79 2HA GLY 79 -3.597 14.787 -1.484 635 2HA GLY 79 1HA GLY 79 -5.266 14.871 -0.932 636 H ALA 80 H ALA 80 -5.679 15.015 1.190 637 HA ALA 80 HA ALA 80 -3.893 13.985 3.191 638 1HB ALA 80 1HB ALA 80 -2.772 16.101 2.690 639 2HB ALA 80 2HB ALA 80 -3.469 16.122 4.309 640 3HB ALA 80 3HB ALA 80 -4.273 16.974 2.992 641 H VAL 81 H VAL 81 -6.490 13.351 2.562 642 HA VAL 81 HA VAL 81 -8.159 14.901 4.413 643 HB VAL 81 HB VAL 81 -9.151 13.381 2.025 644 1HG1 VAL 81 1HG1 VAL 81 -10.417 15.561 3.680 645 2HG1 VAL 81 2HG1 VAL 81 -10.810 13.843 3.766 646 3HG1 VAL 81 3HG1 VAL 81 -11.137 14.748 2.290 647 1HG2 VAL 81 1HG2 VAL 81 -7.557 15.052 1.342 648 2HG2 VAL 81 2HG2 VAL 81 -8.428 16.282 2.267 649 3HG2 VAL 81 3HG2 VAL 81 -9.197 15.513 0.875 650 H SER 82 H SER 82 -9.076 11.904 2.834 651 HA SER 82 HA SER 82 -9.897 10.901 5.404 652 1HB SER 82 2HB SER 82 -10.458 10.023 2.573 653 2HB SER 82 1HB SER 82 -11.023 9.111 3.969 654 HG SER 82 HG SER 82 -12.149 11.003 4.629 655 H GLU 83 H GLU 83 -8.016 10.189 6.377 656 HA GLU 83 HA GLU 83 -6.110 8.531 5.122 657 1HB GLU 83 2HB GLU 83 -5.367 8.053 7.475 658 2HB GLU 83 1HB GLU 83 -5.432 9.755 7.046 659 1HG GLU 83 2HG GLU 83 -7.576 9.959 8.213 660 2HG GLU 83 1HG GLU 83 -7.485 8.257 8.663 661 H PHE 84 H PHE 84 -6.514 6.584 4.365 662 HA PHE 84 HA PHE 84 -8.288 4.818 5.902 663 1HB PHE 84 2HB PHE 84 -8.150 5.421 3.008 664 2HB PHE 84 1HB PHE 84 -8.511 3.759 3.468 665 HD1 PHE 84 HD2 PHE 84 -10.469 3.330 4.988 666 HD2 PHE 84 HD1 PHE 84 -9.782 7.104 3.144 667 HE1 PHE 84 HE2 PHE 84 -12.814 3.956 5.399 668 HE2 PHE 84 HE1 PHE 84 -12.125 7.734 3.553 669 HZ PHE 84 HZ PHE 84 -13.643 6.158 4.682 670 H TYR 85 H TYR 85 -7.967 2.470 5.267 671 HA TYR 85 HA TYR 85 -5.105 1.908 5.581 672 1HB TYR 85 2HB TYR 85 -7.554 0.311 6.315 673 2HB TYR 85 1HB TYR 85 -5.920 -0.326 6.404 674 HD1 TYR 85 HD2 TYR 85 -4.338 0.583 8.053 675 HD2 TYR 85 HD1 TYR 85 -8.423 1.742 7.973 676 HE1 TYR 85 HE2 TYR 85 -4.130 1.404 10.347 677 HE2 TYR 85 HE1 TYR 85 -8.251 2.567 10.266 678 HH TYR 85 HH TYR 85 -6.863 2.299 12.244 679 H ILE 86 H ILE 86 -4.110 1.149 3.818 680 HA ILE 86 HA ILE 86 -5.487 -1.108 2.525 681 HB ILE 86 HB ILE 86 -3.292 0.533 1.234 682 1HG1 ILE 86 2HG1 ILE 86 -5.402 1.833 1.454 683 2HG1 ILE 86 1HG1 ILE 86 -4.986 1.483 -0.222 684 1HG2 ILE 86 1HG2 ILE 86 -3.393 -1.803 0.524 685 2HG2 ILE 86 2HG2 ILE 86 -3.881 -0.722 -0.780 686 3HG2 ILE 86 3HG2 ILE 86 -5.102 -1.615 0.127 687 1HD1 ILE 86 1HD1 ILE 86 -7.026 0.007 1.433 688 2HD1 ILE 86 2HD1 ILE 86 -6.625 -0.315 -0.256 689 3HD1 ILE 86 3HD1 ILE 86 -7.366 1.218 0.196 690 H GLU 87 H GLU 87 -4.706 -2.320 4.340 691 HA GLU 87 HA GLU 87 -1.809 -2.639 4.447 692 1HB GLU 87 2HB GLU 87 -2.190 -3.956 6.494 693 2HB GLU 87 1HB GLU 87 -2.861 -2.334 6.607 694 1HG GLU 87 2HG GLU 87 -4.629 -4.578 5.765 695 2HG GLU 87 1HG GLU 87 -4.184 -4.411 7.462 696 H ILE 88 H ILE 88 -0.988 -3.961 3.072 697 HA ILE 88 HA ILE 88 -2.534 -6.292 2.189 698 HB ILE 88 HB ILE 88 0.042 -5.207 1.046 699 1HG1 ILE 88 2HG1 ILE 88 -2.779 -4.728 0.072 700 2HG1 ILE 88 1HG1 ILE 88 -1.845 -3.562 1.004 701 1HG2 ILE 88 1HG2 ILE 88 -0.636 -6.487 -0.951 702 2HG2 ILE 88 2HG2 ILE 88 -2.016 -7.119 -0.052 703 3HG2 ILE 88 3HG2 ILE 88 -0.375 -7.518 0.457 704 1HD1 ILE 88 1HD1 ILE 88 -0.181 -3.483 -0.771 705 2HD1 ILE 88 2HD1 ILE 88 -1.787 -3.055 -1.361 706 3HD1 ILE 88 3HD1 ILE 88 -1.122 -4.652 -1.696 707 H THR 89 H THR 89 -2.067 -8.226 2.956 708 HA THR 89 HA THR 89 0.187 -8.584 4.708 709 HB THR 89 HB THR 89 -0.950 -11.038 4.557 710 HG1 THR 89 HG1 THR 89 -2.639 -10.689 3.230 711 1HG2 THR 89 1HG2 THR 89 -1.917 -8.669 6.160 712 2HG2 THR 89 2HG2 THR 89 -0.621 -9.782 6.607 713 3HG2 THR 89 3HG2 THR 89 -2.289 -10.354 6.526 714 H GLU 90 H GLU 90 1.925 -9.919 4.406 715 HA GLU 90 HA GLU 90 2.948 -10.529 1.917 716 1HB GLU 90 2HB GLU 90 4.216 -10.565 4.058 717 2HB GLU 90 1HB GLU 90 3.402 -12.061 4.489 718 1HG GLU 90 2HG GLU 90 4.482 -13.243 2.728 719 2HG GLU 90 1HG GLU 90 5.124 -11.749 2.043 720 H ILE 91 H ILE 91 2.141 -11.750 0.401 721 HA ILE 91 HA ILE 91 -0.170 -13.242 0.666 722 HB ILE 91 HB ILE 91 0.449 -12.287 -1.447 723 1HG1 ILE 91 2HG1 ILE 91 0.417 -15.311 -1.599 724 2HG1 ILE 91 1HG1 ILE 91 -0.995 -14.264 -1.525 725 1HG2 ILE 91 1HG2 ILE 91 2.298 -13.153 -2.800 726 2HG2 ILE 91 2HG2 ILE 91 2.752 -14.233 -1.482 727 3HG2 ILE 91 3HG2 ILE 91 2.868 -12.487 -1.268 728 1HD1 ILE 91 1HD1 ILE 91 -0.422 -13.323 -3.689 729 2HD1 ILE 91 2HD1 ILE 91 -0.585 -15.075 -3.780 730 3HD1 ILE 91 3HD1 ILE 91 1.017 -14.338 -3.759 731 H ASP 92 H ASP 92 -0.644 -15.260 1.184 732 HA ASP 92 HA ASP 92 1.519 -17.258 1.288 733 1HB ASP 92 2HB ASP 92 -1.179 -17.240 2.660 734 2HB ASP 92 1HB ASP 92 -0.089 -18.616 2.663 735 H LYS 93 H LYS 93 0.765 -19.501 0.759 736 HA LYS 93 HA LYS 93 -0.878 -19.437 -1.657 737 1HB LYS 93 2HB LYS 93 1.415 -20.533 -1.596 738 2HB LYS 93 1HB LYS 93 0.707 -21.752 -0.551 739 1HG LYS 93 2HG LYS 93 -0.795 -22.455 -2.286 740 2HG LYS 93 1HG LYS 93 -0.259 -21.142 -3.336 741 1HD LYS 93 2HD LYS 93 2.004 -22.108 -3.355 742 2HD LYS 93 1HD LYS 93 1.430 -23.435 -2.341 743 1HE LYS 93 2HE LYS 93 -0.083 -24.159 -4.067 744 2HE LYS 93 1HE LYS 93 0.323 -22.764 -5.066 745 1HZ LYS 93 1HZ LYS 93 1.479 -24.699 -5.843 746 2HZ LYS 93 2HZ LYS 93 2.146 -24.990 -4.317 747 3HZ LYS 93 3HZ LYS 93 2.610 -23.617 -5.198 748 H ASN 94 H ASN 94 -1.647 -19.344 1.247 749 HA ASN 94 HA ASN 94 -3.020 -21.698 1.969 750 1HB ASN 94 2HB ASN 94 -2.437 -19.921 3.581 751 2HB ASN 94 1HB ASN 94 -3.578 -18.838 2.793 752 1HD2 ASN 94 1HD2 ASN 94 -3.170 -21.513 4.921 753 2HD2 ASN 94 2HD2 ASN 94 -4.822 -21.623 5.447 754 H ALA 95 H ALA 95 -4.082 -18.730 0.368 755 HA ALA 95 HA ALA 95 -6.799 -19.653 0.154 756 1HB ALA 95 1HB ALA 95 -6.297 -17.280 0.499 757 2HB ALA 95 2HB ALA 95 -7.225 -17.547 -0.977 758 3HB ALA 95 3HB ALA 95 -5.495 -17.228 -1.069 759 H ASP 96 H ASP 96 -6.801 -21.464 -1.067 760 HA ASP 96 HA ASP 96 -7.115 -22.684 -2.934 761 1HB ASP 96 2HB ASP 96 -8.361 -20.763 -3.723 762 2HB ASP 96 1HB ASP 96 -6.897 -20.029 -4.347 763 H SER 97 H SER 97 -6.096 -23.436 -4.954 764 HA SER 97 HA SER 97 -3.214 -22.939 -5.008 765 1HB SER 97 2HB SER 97 -4.587 -25.627 -4.947 766 2HB SER 97 1HB SER 97 -2.867 -25.370 -5.164 767 HG SER 97 HG SER 97 -3.914 -24.099 -2.968 768 H LEU 98 H LEU 98 -5.590 -22.285 -6.742 769 HA LEU 98 HA LEU 98 -4.828 -23.704 -9.196 770 1HB LEU 98 2HB LEU 98 -7.226 -23.679 -8.579 771 2HB LEU 98 1HB LEU 98 -7.209 -21.928 -8.643 772 HG LEU 98 HG LEU 98 -6.566 -22.135 -11.082 773 1HD1 LEU 98 1HD1 LEU 98 -5.770 -24.422 -11.053 774 2HD1 LEU 98 2HD1 LEU 98 -7.110 -24.249 -12.186 775 3HD1 LEU 98 3HD1 LEU 98 -7.378 -24.996 -10.611 776 1HD2 LEU 98 1HD2 LEU 98 -8.867 -22.594 -11.795 777 2HD2 LEU 98 2HD2 LEU 98 -8.813 -21.534 -10.387 778 3HD2 LEU 98 3HD2 LEU 98 -9.227 -23.239 -10.193 779 H GLU 99 H GLU 99 -3.874 -22.646 -10.871 780 HA GLU 99 HA GLU 99 -2.905 -19.986 -10.369 781 1HB GLU 99 2HB GLU 99 -1.825 -20.198 -12.601 782 2HB GLU 99 1HB GLU 99 -1.419 -21.499 -11.494 783 1HG GLU 99 2HG GLU 99 -2.891 -23.005 -12.629 784 2HG GLU 99 1HG GLU 99 -3.507 -21.704 -13.647 785 H HIS 100 H HIS 100 -5.082 -19.107 -10.145 786 HA HIS 100 HA HIS 100 -6.683 -18.761 -12.483 787 1HB HIS 100 2HB HIS 100 -7.973 -17.123 -11.099 788 2HB HIS 100 1HB HIS 100 -7.827 -18.717 -10.379 789 HD1 HIS 100 HD1 HIS 100 -7.564 -15.243 -9.548 790 HD2 HIS 100 HD2 HIS 100 -5.638 -18.724 -8.324 791 HE1 HIS 100 HE1 HIS 100 -6.511 -14.699 -7.324 792 HE2 HIS 100 HE2 HIS 100 -5.534 -16.882 -6.510 793 H HIS 101 H HIS 101 -4.961 -18.063 -13.859 794 HA HIS 101 HA HIS 101 -4.508 -15.160 -13.678 795 1HB HIS 101 2HB HIS 101 -2.400 -16.347 -13.377 796 2HB HIS 101 1HB HIS 101 -2.689 -17.293 -14.830 797 HD1 HIS 101 HD1 HIS 101 -0.990 -14.311 -13.676 798 HD2 HIS 101 HD2 HIS 101 -2.665 -15.596 -17.256 799 HE1 HIS 101 HE1 HIS 101 -0.046 -12.803 -15.452 800 HE2 HIS 101 HE2 HIS 101 -1.266 -13.454 -17.564 801 H HIS 102 H HIS 102 -6.356 -14.674 -14.877 802 HA HIS 102 HA HIS 102 -5.821 -14.389 -17.620 803 1HB HIS 102 2HB HIS 102 -6.590 -16.793 -17.628 804 2HB HIS 102 1HB HIS 102 -8.164 -16.225 -17.079 805 HD1 HIS 102 HD1 HIS 102 -9.702 -15.130 -18.812 806 HD2 HIS 102 HD2 HIS 102 -5.940 -16.103 -20.301 807 HE1 HIS 102 HE1 HIS 102 -9.852 -14.806 -21.299 808 HE2 HIS 102 HE2 HIS 102 -7.597 -15.494 -22.197 809 H HIS 103 H HIS 103 -6.208 -12.257 -16.940 810 HA HIS 103 HA HIS 103 -9.070 -11.624 -16.619 811 1HB HIS 103 2HB HIS 103 -7.299 -10.736 -14.942 812 2HB HIS 103 1HB HIS 103 -6.822 -9.648 -16.240 813 HD1 HIS 103 HD1 HIS 103 -7.889 -7.422 -16.022 814 HD2 HIS 103 HD2 HIS 103 -10.300 -10.456 -14.512 815 HE1 HIS 103 HE1 HIS 103 -9.939 -6.280 -15.126 816 HE2 HIS 103 HE2 HIS 103 -11.277 -8.111 -14.026 817 H HIS 104 H HIS 104 -6.364 -9.751 -17.936 818 HA HIS 104 HA HIS 104 -7.343 -10.287 -20.647 819 1HB HIS 104 2HB HIS 104 -6.746 -7.562 -19.495 820 2HB HIS 104 1HB HIS 104 -6.691 -7.875 -21.227 821 HD1 HIS 104 HD1 HIS 104 -8.916 -6.687 -18.724 822 HD2 HIS 104 HD2 HIS 104 -9.320 -9.095 -22.088 823 HE1 HIS 104 HE1 HIS 104 -11.369 -6.675 -19.277 824 HE2 HIS 104 HE2 HIS 104 -11.613 -8.327 -21.165 825 H HIS 105 H HIS 105 -5.080 -10.740 -18.536 826 HA HIS 105 HA HIS 105 -2.968 -10.959 -20.517 827 1HB HIS 105 2HB HIS 105 -2.736 -9.463 -17.911 828 2HB HIS 105 1HB HIS 105 -1.331 -10.230 -18.641 829 HD1 HIS 105 HD1 HIS 105 -0.204 -9.029 -20.546 830 HD2 HIS 105 HD2 HIS 105 -3.820 -7.287 -19.447 831 HE1 HIS 105 HE1 HIS 105 -0.296 -6.828 -21.756 832 HE2 HIS 105 HE2 HIS 105 -2.418 -5.731 -20.973 Start of MODEL 2 1 1H MET 1 1H MET 1 10.384 5.815 6.315 2 2H MET 1 2H MET 1 9.239 6.646 7.248 3 3H MET 1 3H MET 1 9.806 7.323 5.799 4 HA MET 1 HA MET 1 8.278 4.796 5.991 5 1HB MET 1 2HB MET 1 6.345 5.989 5.241 6 2HB MET 1 1HB MET 1 6.979 6.866 6.627 7 1HG MET 1 2HG MET 1 8.006 8.499 5.151 8 2HG MET 1 1HG MET 1 7.446 7.603 3.743 9 1HE MET 1 1HE MET 1 4.728 9.894 6.683 10 2HE MET 1 2HE MET 1 6.491 9.910 6.732 11 3HE MET 1 3HE MET 1 5.610 8.440 7.149 12 H VAL 2 H VAL 2 7.281 4.340 3.823 13 HA VAL 2 HA VAL 2 9.198 4.743 1.680 14 HB VAL 2 HB VAL 2 6.616 3.165 1.817 15 1HG1 VAL 2 1HG1 VAL 2 6.992 3.987 -0.459 16 2HG1 VAL 2 2HG1 VAL 2 7.197 2.239 -0.357 17 3HG1 VAL 2 3HG1 VAL 2 8.611 3.290 -0.442 18 1HG2 VAL 2 1HG2 VAL 2 9.501 2.292 1.733 19 2HG2 VAL 2 2HG2 VAL 2 8.104 1.215 1.701 20 3HG2 VAL 2 3HG2 VAL 2 8.421 2.207 3.125 21 H LYS 3 H LYS 3 8.834 6.029 -0.114 22 HA LYS 3 HA LYS 3 6.596 7.904 0.201 23 1HB LYS 3 2HB LYS 3 8.867 8.857 0.204 24 2HB LYS 3 1HB LYS 3 9.146 8.184 -1.396 25 1HG LYS 3 2HG LYS 3 7.265 9.573 -2.243 26 2HG LYS 3 1HG LYS 3 7.163 10.320 -0.648 27 1HD LYS 3 2HD LYS 3 9.471 11.091 -0.865 28 2HD LYS 3 1HD LYS 3 9.576 10.339 -2.457 29 1HE LYS 3 2HE LYS 3 7.762 12.606 -1.646 30 2HE LYS 3 1HE LYS 3 9.178 12.711 -2.691 31 1HZ LYS 3 1HZ LYS 3 7.943 11.040 -4.149 32 2HZ LYS 3 2HZ LYS 3 7.394 12.644 -4.148 33 3HZ LYS 3 3HZ LYS 3 6.556 11.466 -3.261 34 H THR 4 H THR 4 8.272 5.944 -2.226 35 HA THR 4 HA THR 4 6.169 6.614 -4.155 36 HB THR 4 HB THR 4 8.583 4.938 -4.783 37 HG1 THR 4 HG1 THR 4 9.530 6.730 -3.921 38 1HG2 THR 4 1HG2 THR 4 6.958 6.903 -6.414 39 2HG2 THR 4 2HG2 THR 4 6.802 5.146 -6.471 40 3HG2 THR 4 3HG2 THR 4 8.296 5.915 -7.006 41 H LEU 5 H LEU 5 4.445 5.339 -3.604 42 HA LEU 5 HA LEU 5 4.933 2.439 -3.714 43 1HB LEU 5 2HB LEU 5 3.937 3.295 -1.597 44 2HB LEU 5 1HB LEU 5 2.556 3.861 -2.516 45 HG LEU 5 HG LEU 5 2.061 1.522 -3.173 46 1HD1 LEU 5 1HD1 LEU 5 4.312 0.858 -1.279 47 2HD1 LEU 5 2HD1 LEU 5 4.303 0.601 -3.024 48 3HD1 LEU 5 3HD1 LEU 5 3.195 -0.304 -1.994 49 1HD2 LEU 5 1HD2 LEU 5 0.960 2.519 -1.234 50 2HD2 LEU 5 2HD2 LEU 5 2.280 1.973 -0.199 51 3HD2 LEU 5 3HD2 LEU 5 1.237 0.794 -0.995 52 H ARG 6 H ARG 6 3.612 1.159 -5.005 53 HA ARG 6 HA ARG 6 1.594 2.461 -6.659 54 1HB ARG 6 2HB ARG 6 3.601 2.588 -8.025 55 2HB ARG 6 1HB ARG 6 3.941 0.887 -7.748 56 1HG ARG 6 2HG ARG 6 2.006 0.243 -9.033 57 2HG ARG 6 1HG ARG 6 1.535 1.933 -9.226 58 1HD ARG 6 2HD ARG 6 4.156 0.812 -10.205 59 2HD ARG 6 1HD ARG 6 2.705 0.910 -11.202 60 HE ARG 6 HE ARG 6 2.815 3.383 -10.770 61 1HH1 ARG 6 1HH1 ARG 6 5.698 1.376 -10.676 62 2HH1 ARG 6 2HH1 ARG 6 6.764 2.683 -11.122 63 1HH2 ARG 6 1HH2 ARG 6 4.223 5.091 -11.334 64 2HH2 ARG 6 2HH2 ARG 6 5.929 4.787 -11.490 65 H LEU 7 H LEU 7 -0.179 1.259 -6.760 66 HA LEU 7 HA LEU 7 0.041 -1.641 -6.262 67 1HB LEU 7 2HB LEU 7 -2.099 0.242 -5.261 68 2HB LEU 7 1HB LEU 7 -2.148 -1.502 -5.103 69 HG LEU 7 HG LEU 7 -0.079 0.296 -3.835 70 1HD1 LEU 7 1HD1 LEU 7 -2.268 0.619 -2.837 71 2HD1 LEU 7 2HD1 LEU 7 -1.210 -0.265 -1.736 72 3HD1 LEU 7 3HD1 LEU 7 -2.455 -1.124 -2.643 73 1HD2 LEU 7 1HD2 LEU 7 0.544 -1.721 -2.586 74 2HD2 LEU 7 2HD2 LEU 7 0.799 -1.912 -4.321 75 3HD2 LEU 7 3HD2 LEU 7 -0.599 -2.660 -3.547 76 H ASN 8 H ASN 8 -0.526 -2.685 -8.031 77 HA ASN 8 HA ASN 8 -1.587 -3.315 -9.935 78 1HB ASN 8 2HB ASN 8 -3.889 -1.849 -8.631 79 2HB ASN 8 1HB ASN 8 -4.049 -2.825 -10.086 80 1HD2 ASN 8 1HD2 ASN 8 -5.368 -3.206 -7.565 81 2HD2 ASN 8 2HD2 ASN 8 -4.895 -4.767 -6.982 82 H ASN 9 H ASN 9 0.061 -1.486 -10.599 83 HA ASN 9 HA ASN 9 0.604 -0.103 -12.311 84 1HB ASN 9 2HB ASN 9 -2.335 -0.229 -13.006 85 2HB ASN 9 1HB ASN 9 -1.113 0.562 -13.993 86 1HD2 ASN 9 1HD2 ASN 9 0.386 -0.689 -15.107 87 2HD2 ASN 9 2HD2 ASN 9 0.148 -2.384 -15.376 88 H VAL 10 H VAL 10 -1.637 0.804 -9.924 89 HA VAL 10 HA VAL 10 -1.579 3.620 -10.736 90 HB VAL 10 HB VAL 10 -3.221 2.291 -8.572 91 1HG1 VAL 10 1HG1 VAL 10 -4.492 4.373 -8.538 92 2HG1 VAL 10 2HG1 VAL 10 -3.412 5.061 -9.750 93 3HG1 VAL 10 3HG1 VAL 10 -2.796 4.662 -8.147 94 1HG2 VAL 10 1HG2 VAL 10 -3.999 3.161 -11.351 95 2HG2 VAL 10 2HG2 VAL 10 -5.110 2.575 -10.114 96 3HG2 VAL 10 3HG2 VAL 10 -3.876 1.501 -10.770 97 H THR 11 H THR 11 -0.071 4.860 -9.862 98 HA THR 11 HA THR 11 1.438 4.094 -7.588 99 HB THR 11 HB THR 11 2.343 5.578 -9.358 100 HG1 THR 11 HG1 THR 11 2.878 5.663 -6.884 101 1HG2 THR 11 1HG2 THR 11 0.355 6.939 -9.772 102 2HG2 THR 11 2HG2 THR 11 1.746 7.955 -9.386 103 3HG2 THR 11 3HG2 THR 11 0.505 7.658 -8.168 104 H LEU 12 H LEU 12 1.405 5.003 -5.479 105 HA LEU 12 HA LEU 12 -1.118 6.316 -4.761 106 1HB LEU 12 2HB LEU 12 -1.251 3.822 -4.525 107 2HB LEU 12 1HB LEU 12 0.029 3.922 -3.332 108 HG LEU 12 HG LEU 12 -1.458 5.377 -1.948 109 1HD1 LEU 12 1HD1 LEU 12 -3.850 5.386 -2.465 110 2HD1 LEU 12 2HD1 LEU 12 -3.523 4.550 -3.983 111 3HD1 LEU 12 3HD1 LEU 12 -2.913 6.184 -3.729 112 1HD2 LEU 12 1HD2 LEU 12 -2.510 2.640 -2.646 113 2HD2 LEU 12 2HD2 LEU 12 -2.841 3.528 -1.158 114 3HD2 LEU 12 3HD2 LEU 12 -1.200 2.988 -1.518 115 H GLU 13 H GLU 13 -1.048 7.587 -2.942 116 HA GLU 13 HA GLU 13 1.534 7.800 -1.552 117 1HB GLU 13 2HB GLU 13 -0.480 9.971 -2.167 118 2HB GLU 13 1HB GLU 13 0.854 10.173 -1.041 119 1HG GLU 13 2HG GLU 13 2.443 9.734 -2.846 120 2HG GLU 13 1HG GLU 13 1.102 9.546 -3.973 121 H MET 14 H MET 14 1.372 8.282 0.745 122 HA MET 14 HA MET 14 -1.138 7.339 1.908 123 1HB MET 14 2HB MET 14 1.611 6.284 2.623 124 2HB MET 14 1HB MET 14 0.122 5.869 3.447 125 1HG MET 14 2HG MET 14 0.588 4.049 2.069 126 2HG MET 14 1HG MET 14 -0.679 4.940 1.231 127 1HE MET 14 1HE MET 14 3.248 4.485 1.452 128 2HE MET 14 2HE MET 14 3.005 6.231 1.370 129 3HE MET 14 3HE MET 14 3.756 5.383 0.020 130 H ALA 15 H ALA 15 -1.432 7.952 4.075 131 HA ALA 15 HA ALA 15 0.074 10.346 4.796 132 1HB ALA 15 1HB ALA 15 -2.447 9.207 5.974 133 2HB ALA 15 2HB ALA 15 -2.366 10.449 4.722 134 3HB ALA 15 3HB ALA 15 -1.742 10.783 6.341 135 H ALA 16 H ALA 16 -1.003 7.275 6.196 136 HA ALA 16 HA ALA 16 1.363 7.375 7.932 137 1HB ALA 16 1HB ALA 16 -1.299 6.191 8.710 138 2HB ALA 16 2HB ALA 16 -0.696 7.759 9.246 139 3HB ALA 16 3HB ALA 16 0.151 6.283 9.708 140 H TYR 17 H TYR 17 2.490 6.208 6.396 141 HA TYR 17 HA TYR 17 1.557 3.580 5.613 142 1HB TYR 17 2HB TYR 17 2.894 5.033 4.077 143 2HB TYR 17 1HB TYR 17 4.265 4.857 5.165 144 HD1 TYR 17 HD2 TYR 17 1.954 2.924 2.986 145 HD2 TYR 17 HD1 TYR 17 5.720 3.019 4.961 146 HE1 TYR 17 HE2 TYR 17 2.630 0.885 1.786 147 HE2 TYR 17 HE1 TYR 17 6.407 0.982 3.765 148 HH TYR 17 HH TYR 17 4.655 -0.262 1.111 149 H GLN 18 H GLN 18 1.425 2.312 7.417 150 HA GLN 18 HA GLN 18 3.814 2.106 9.112 151 1HB GLN 18 2HB GLN 18 1.717 2.662 10.272 152 2HB GLN 18 1HB GLN 18 0.980 1.193 9.645 153 1HG GLN 18 2HG GLN 18 2.641 -0.137 10.880 154 2HG GLN 18 1HG GLN 18 3.307 1.350 11.552 155 1HE2 GLN 18 1HE2 GLN 18 2.079 -0.957 12.868 156 2HE2 GLN 18 2HE2 GLN 18 0.768 -0.327 13.802 157 H GLU 19 H GLU 19 5.081 0.690 8.006 158 HA GLU 19 HA GLU 19 3.913 -1.918 7.346 159 1HB GLU 19 2HB GLU 19 5.184 -0.522 5.611 160 2HB GLU 19 1HB GLU 19 6.626 -0.924 6.521 161 1HG GLU 19 2HG GLU 19 4.866 -3.144 5.644 162 2HG GLU 19 1HG GLU 19 5.860 -2.332 4.438 163 H GLU 20 H GLU 20 4.376 -3.578 8.556 164 HA GLU 20 HA GLU 20 6.546 -3.350 10.543 165 1HB GLU 20 2HB GLU 20 3.885 -4.739 10.932 166 2HB GLU 20 1HB GLU 20 5.167 -4.574 12.127 167 1HG GLU 20 2HG GLU 20 4.866 -2.094 11.972 168 2HG GLU 20 1HG GLU 20 3.445 -2.394 10.974 169 H SER 21 H SER 21 8.093 -4.689 10.001 170 HA SER 21 HA SER 21 7.465 -7.025 8.372 171 1HB SER 21 2HB SER 21 10.145 -5.849 9.073 172 2HB SER 21 1HB SER 21 9.803 -7.015 7.798 173 HG SER 21 HG SER 21 8.215 -5.016 7.280 174 H GLU 22 H GLU 22 7.354 -6.716 11.486 175 HA GLU 22 HA GLU 22 9.437 -8.544 12.187 176 1HB GLU 22 2HB GLU 22 7.790 -6.695 13.723 177 2HB GLU 22 1HB GLU 22 8.324 -8.154 14.563 178 1HG GLU 22 2HG GLU 22 10.591 -7.705 13.981 179 2HG GLU 22 1HG GLU 22 10.106 -6.281 13.059 180 HA PRO 23 HA PRO 23 6.258 -11.467 13.614 181 1HB PRO 23 2HB PRO 23 3.711 -10.602 12.458 182 2HB PRO 23 1HB PRO 23 4.059 -11.124 14.104 183 1HG PRO 23 2HG PRO 23 3.486 -8.559 13.499 184 2HG PRO 23 1HG PRO 23 4.617 -8.998 14.794 185 1HD PRO 23 2HD PRO 23 5.196 -8.068 12.011 186 2HD PRO 23 1HD PRO 23 6.017 -7.653 13.533 187 H LYS 24 H LYS 24 6.086 -9.731 10.741 188 HA LYS 24 HA LYS 24 6.801 -11.634 8.898 189 1HB LYS 24 2HB LYS 24 4.406 -12.509 9.478 190 2HB LYS 24 1HB LYS 24 3.840 -11.095 8.601 191 1HG LYS 24 2HG LYS 24 5.050 -11.860 6.607 192 2HG LYS 24 1HG LYS 24 5.570 -13.295 7.490 193 1HD LYS 24 2HD LYS 24 3.160 -13.859 7.837 194 2HD LYS 24 1HD LYS 24 2.748 -12.513 6.774 195 1HE LYS 24 2HE LYS 24 4.073 -13.568 4.977 196 2HE LYS 24 1HE LYS 24 4.392 -14.937 6.041 197 1HZ LYS 24 1HZ LYS 24 1.916 -15.213 6.176 198 2HZ LYS 24 2HZ LYS 24 2.595 -15.547 4.662 199 3HZ LYS 24 3HZ LYS 24 1.786 -14.082 4.919 200 H ARG 25 H ARG 25 6.299 -10.542 6.571 201 HA ARG 25 HA ARG 25 6.561 -7.698 6.991 202 1HB ARG 25 2HB ARG 25 6.560 -9.337 4.455 203 2HB ARG 25 1HB ARG 25 6.743 -7.585 4.492 204 1HG ARG 25 2HG ARG 25 8.691 -7.997 6.087 205 2HG ARG 25 1HG ARG 25 8.595 -9.680 5.570 206 1HD ARG 25 2HD ARG 25 8.938 -7.335 3.713 207 2HD ARG 25 1HD ARG 25 10.260 -8.324 4.326 208 HE ARG 25 HE ARG 25 8.129 -9.731 2.913 209 1HH1 ARG 25 1HH1 ARG 25 11.346 -8.331 2.848 210 2HH1 ARG 25 2HH1 ARG 25 11.818 -9.170 1.398 211 1HH2 ARG 25 1HH2 ARG 25 8.734 -10.824 1.005 212 2HH2 ARG 25 2HH2 ARG 25 10.336 -10.590 0.358 213 H LYS 26 H LYS 26 4.858 -6.574 7.460 214 HA LYS 26 HA LYS 26 2.301 -7.180 6.118 215 1HB LYS 26 2HB LYS 26 2.346 -7.852 8.502 216 2HB LYS 26 1HB LYS 26 2.746 -6.201 8.944 217 1HG LYS 26 2HG LYS 26 0.578 -5.525 7.830 218 2HG LYS 26 1HG LYS 26 0.186 -7.245 7.786 219 1HD LYS 26 2HD LYS 26 -0.816 -6.302 9.748 220 2HD LYS 26 1HD LYS 26 0.536 -7.317 10.258 221 1HE LYS 26 2HE LYS 26 1.911 -5.427 10.675 222 2HE LYS 26 1HE LYS 26 0.785 -4.345 9.858 223 1HZ LYS 26 1HZ LYS 26 0.657 -4.172 12.285 224 2HZ LYS 26 2HZ LYS 26 0.208 -5.806 12.383 225 3HZ LYS 26 3HZ LYS 26 -0.813 -4.693 11.610 226 H ILE 27 H ILE 27 1.727 -5.569 4.819 227 HA ILE 27 HA ILE 27 2.770 -2.874 5.314 228 HB ILE 27 HB ILE 27 1.372 -3.971 2.864 229 1HG1 ILE 27 2HG1 ILE 27 4.311 -3.419 3.343 230 2HG1 ILE 27 1HG1 ILE 27 3.576 -5.016 3.276 231 1HG2 ILE 27 1HG2 ILE 27 2.838 -1.372 3.285 232 2HG2 ILE 27 2HG2 ILE 27 1.093 -1.563 3.120 233 3HG2 ILE 27 3HG2 ILE 27 2.156 -1.936 1.762 234 1HD1 ILE 27 1HD1 ILE 27 3.705 -3.035 1.014 235 2HD1 ILE 27 2HD1 ILE 27 2.965 -4.634 0.944 236 3HD1 ILE 27 3HD1 ILE 27 4.703 -4.477 1.198 237 H ALA 28 H ALA 28 1.438 -1.911 6.775 238 HA ALA 28 HA ALA 28 -1.441 -1.870 6.153 239 1HB ALA 28 1HB ALA 28 -0.979 -2.750 8.368 240 2HB ALA 28 2HB ALA 28 -1.756 -1.173 8.509 241 3HB ALA 28 3HB ALA 28 -0.019 -1.326 8.762 242 H PHE 29 H PHE 29 -1.600 -0.178 4.734 243 HA PHE 29 HA PHE 29 -0.296 2.333 5.512 244 1HB PHE 29 2HB PHE 29 -0.674 3.062 3.182 245 2HB PHE 29 1HB PHE 29 0.300 1.603 3.284 246 HD1 PHE 29 HD1 PHE 29 -0.641 -0.561 2.603 247 HD2 PHE 29 HD2 PHE 29 -2.802 3.074 2.121 248 HE1 PHE 29 HE1 PHE 29 -2.142 -1.670 1.003 249 HE2 PHE 29 HE2 PHE 29 -4.311 1.969 0.525 250 HZ PHE 29 HZ PHE 29 -3.981 -0.405 -0.036 251 H THR 30 H THR 30 -1.382 4.062 6.079 252 HA THR 30 HA THR 30 -4.306 3.935 6.110 253 HB THR 30 HB THR 30 -2.558 6.000 7.450 254 HG1 THR 30 HG1 THR 30 -2.717 3.376 7.991 255 1HG2 THR 30 1HG2 THR 30 -4.482 6.231 8.947 256 2HG2 THR 30 2HG2 THR 30 -5.347 4.997 8.031 257 3HG2 THR 30 3HG2 THR 30 -4.941 6.538 7.272 258 H LEU 31 H LEU 31 -5.301 4.854 4.463 259 HA LEU 31 HA LEU 31 -4.003 7.052 3.014 260 1HB LEU 31 2HB LEU 31 -4.850 4.943 1.856 261 2HB LEU 31 1HB LEU 31 -6.468 5.501 2.218 262 HG LEU 31 HG LEU 31 -4.560 7.205 0.632 263 1HD1 LEU 31 1HD1 LEU 31 -6.413 5.071 -0.407 264 2HD1 LEU 31 2HD1 LEU 31 -4.651 5.085 -0.516 265 3HD1 LEU 31 3HD1 LEU 31 -5.599 6.287 -1.393 266 1HD2 LEU 31 1HD2 LEU 31 -6.632 8.130 -0.278 267 2HD2 LEU 31 2HD2 LEU 31 -6.569 8.297 1.477 268 3HD2 LEU 31 3HD2 LEU 31 -7.571 7.043 0.747 269 H ASN 32 H ASN 32 -4.693 9.078 3.331 270 HA ASN 32 HA ASN 32 -6.962 9.564 5.036 271 1HB ASN 32 2HB ASN 32 -4.921 10.928 5.264 272 2HB ASN 32 1HB ASN 32 -5.148 11.542 3.631 273 1HD2 ASN 32 1HD2 ASN 32 -6.508 11.484 6.869 274 2HD2 ASN 32 2HD2 ASN 32 -7.395 12.956 6.706 275 H VAL 33 H VAL 33 -8.897 9.424 4.249 276 HA VAL 33 HA VAL 33 -9.483 9.830 1.471 277 HB VAL 33 HB VAL 33 -11.351 9.297 3.773 278 1HG1 VAL 33 1HG1 VAL 33 -12.963 8.653 2.040 279 2HG1 VAL 33 2HG1 VAL 33 -11.820 9.155 0.793 280 3HG1 VAL 33 3HG1 VAL 33 -12.503 10.349 1.899 281 1HG2 VAL 33 1HG2 VAL 33 -11.395 7.011 2.756 282 2HG2 VAL 33 2HG2 VAL 33 -9.876 7.459 3.530 283 3HG2 VAL 33 3HG2 VAL 33 -10.014 7.497 1.772 284 H THR 34 H THR 34 -9.709 11.818 0.672 285 HA THR 34 HA THR 34 -11.125 13.804 2.316 286 HB THR 34 HB THR 34 -10.075 15.496 0.735 287 HG1 THR 34 HG1 THR 34 -8.028 13.655 0.240 288 1HG2 THR 34 1HG2 THR 34 -8.211 13.892 2.482 289 2HG2 THR 34 2HG2 THR 34 -9.287 15.176 3.031 290 3HG2 THR 34 3HG2 THR 34 -7.952 15.549 1.940 291 H SER 35 H SER 35 -12.375 15.398 0.895 292 HA SER 35 HA SER 35 -14.328 14.046 -0.561 293 1HB SER 35 2HB SER 35 -14.525 16.351 0.468 294 2HB SER 35 1HB SER 35 -13.604 16.967 -0.902 295 HG SER 35 HG SER 35 -16.176 15.787 -0.875 296 H GLU 36 H GLU 36 -11.279 15.391 -1.499 297 HA GLU 36 HA GLU 36 -11.603 15.421 -4.297 298 1HB GLU 36 2HB GLU 36 -9.820 16.597 -3.070 299 2HB GLU 36 1HB GLU 36 -9.112 15.053 -2.625 300 1HG GLU 36 2HG GLU 36 -8.670 14.577 -4.978 301 2HG GLU 36 1HG GLU 36 -9.372 16.135 -5.420 302 H THR 37 H THR 37 -9.887 13.023 -2.244 303 HA THR 37 HA THR 37 -9.566 11.256 -4.468 304 HB THR 37 HB THR 37 -8.647 9.697 -2.672 305 HG1 THR 37 HG1 THR 37 -8.131 10.879 -0.681 306 1HG2 THR 37 1HG2 THR 37 -7.434 12.448 -2.963 307 2HG2 THR 37 2HG2 THR 37 -7.197 11.085 -4.057 308 3HG2 THR 37 3HG2 THR 37 -6.583 11.007 -2.405 309 H TYR 38 H TYR 38 -11.969 11.729 -2.081 310 HA TYR 38 HA TYR 38 -13.011 9.302 -1.467 311 1HB TYR 38 2HB TYR 38 -14.050 11.189 -0.518 312 2HB TYR 38 1HB TYR 38 -14.392 11.901 -2.090 313 HD1 TYR 38 HD1 TYR 38 -15.338 9.075 0.146 314 HD2 TYR 38 HD2 TYR 38 -16.438 11.532 -3.151 315 HE1 TYR 38 HE1 TYR 38 -17.592 8.092 0.168 316 HE2 TYR 38 HE2 TYR 38 -18.691 10.557 -3.134 317 HH TYR 38 HH TYR 38 -19.893 8.713 -0.592 318 H HIS 39 H HIS 39 -13.462 10.984 -4.541 319 HA HIS 39 HA HIS 39 -15.528 9.385 -5.554 320 1HB HIS 39 2HB HIS 39 -13.384 10.952 -6.995 321 2HB HIS 39 1HB HIS 39 -14.748 10.190 -7.805 322 HD1 HIS 39 HD1 HIS 39 -13.777 13.378 -6.724 323 HD2 HIS 39 HD2 HIS 39 -17.292 11.177 -6.356 324 HE1 HIS 39 HE1 HIS 39 -15.586 15.057 -6.248 325 HE2 HIS 39 HE2 HIS 39 -17.727 13.722 -6.189 326 H ASP 40 H ASP 40 -12.109 8.803 -5.345 327 HA ASP 40 HA ASP 40 -12.351 6.470 -7.104 328 1HB ASP 40 2HB ASP 40 -10.484 8.143 -7.431 329 2HB ASP 40 1HB ASP 40 -9.831 7.612 -5.885 330 H ILE 41 H ILE 41 -11.534 7.423 -3.806 331 HA ILE 41 HA ILE 41 -10.593 4.899 -2.939 332 HB ILE 41 HB ILE 41 -11.927 6.873 -1.095 333 1HG1 ILE 41 2HG1 ILE 41 -10.421 8.204 -2.471 334 2HG1 ILE 41 1HG1 ILE 41 -9.750 8.016 -0.854 335 1HG2 ILE 41 1HG2 ILE 41 -9.625 4.960 -0.744 336 2HG2 ILE 41 2HG2 ILE 41 -11.261 4.767 -0.114 337 3HG2 ILE 41 3HG2 ILE 41 -10.230 6.065 0.490 338 1HD1 ILE 41 1HD1 ILE 41 -8.223 6.317 -1.684 339 2HD1 ILE 41 2HD1 ILE 41 -8.048 7.833 -2.571 340 3HD1 ILE 41 3HD1 ILE 41 -8.914 6.480 -3.299 341 H ALA 42 H ALA 42 -13.794 6.187 -3.351 342 HA ALA 42 HA ALA 42 -15.147 4.329 -1.665 343 1HB ALA 42 1HB ALA 42 -16.144 6.451 -2.360 344 2HB ALA 42 2HB ALA 42 -17.170 5.075 -2.763 345 3HB ALA 42 3HB ALA 42 -16.220 5.866 -4.022 346 H VAL 43 H VAL 43 -13.615 4.014 -4.664 347 HA VAL 43 HA VAL 43 -15.099 1.574 -5.328 348 HB VAL 43 HB VAL 43 -12.782 2.796 -6.842 349 1HG1 VAL 43 1HG1 VAL 43 -13.165 0.474 -7.368 350 2HG1 VAL 43 2HG1 VAL 43 -13.673 1.483 -8.722 351 3HG1 VAL 43 3HG1 VAL 43 -14.879 0.787 -7.639 352 1HG2 VAL 43 1HG2 VAL 43 -14.588 4.420 -6.726 353 2HG2 VAL 43 2HG2 VAL 43 -15.735 3.207 -7.297 354 3HG2 VAL 43 3HG2 VAL 43 -14.441 3.767 -8.357 355 H LEU 44 H LEU 44 -12.073 2.765 -4.106 356 HA LEU 44 HA LEU 44 -10.866 0.113 -4.090 357 1HB LEU 44 2HB LEU 44 -9.550 2.113 -4.780 358 2HB LEU 44 1HB LEU 44 -9.739 2.758 -3.161 359 HG LEU 44 HG LEU 44 -8.512 0.768 -2.286 360 1HD1 LEU 44 1HD1 LEU 44 -8.964 -0.765 -4.116 361 2HD1 LEU 44 2HD1 LEU 44 -7.226 -0.583 -3.865 362 3HD1 LEU 44 3HD1 LEU 44 -8.014 0.243 -5.208 363 1HD2 LEU 44 1HD2 LEU 44 -7.009 2.384 -4.338 364 2HD2 LEU 44 2HD2 LEU 44 -6.321 1.560 -2.937 365 3HD2 LEU 44 3HD2 LEU 44 -7.408 2.929 -2.710 366 H LEU 45 H LEU 45 -12.414 -0.745 -2.551 367 HA LEU 45 HA LEU 45 -11.708 -0.018 0.188 368 1HB LEU 45 2HB LEU 45 -14.223 -0.921 0.558 369 2HB LEU 45 1HB LEU 45 -13.798 0.769 0.412 370 HG LEU 45 HG LEU 45 -14.363 0.630 -2.032 371 1HD1 LEU 45 1HD1 LEU 45 -15.496 -2.048 -1.257 372 2HD1 LEU 45 2HD1 LEU 45 -14.141 -1.768 -2.351 373 3HD1 LEU 45 3HD1 LEU 45 -15.759 -1.218 -2.790 374 1HD2 LEU 45 1HD2 LEU 45 -16.774 0.696 -1.667 375 2HD2 LEU 45 2HD2 LEU 45 -15.907 1.567 -0.402 376 3HD2 LEU 45 3HD2 LEU 45 -16.558 -0.040 -0.080 377 H TYR 46 H TYR 46 -10.298 -1.626 0.347 378 HA TYR 46 HA TYR 46 -9.467 -3.686 0.779 379 1HB TYR 46 2HB TYR 46 -12.350 -4.086 1.511 380 2HB TYR 46 1HB TYR 46 -11.225 -5.440 1.546 381 HD1 TYR 46 HD2 TYR 46 -9.319 -2.669 2.233 382 HD2 TYR 46 HD1 TYR 46 -12.278 -5.137 4.021 383 HE1 TYR 46 HE2 TYR 46 -8.538 -1.976 4.463 384 HE2 TYR 46 HE1 TYR 46 -11.508 -4.459 6.258 385 HH TYR 46 HH TYR 46 -9.166 -1.906 6.688 386 H GLU 47 H GLU 47 -8.861 -3.894 -1.435 387 HA GLU 47 HA GLU 47 -10.635 -5.405 -3.112 388 1HB GLU 47 2HB GLU 47 -7.874 -4.310 -3.553 389 2HB GLU 47 1HB GLU 47 -8.621 -5.437 -4.686 390 1HG GLU 47 2HG GLU 47 -9.873 -2.827 -3.858 391 2HG GLU 47 1HG GLU 47 -8.853 -3.025 -5.285 392 H LYS 48 H LYS 48 -8.852 -7.002 -4.460 393 HA LYS 48 HA LYS 48 -8.780 -9.161 -2.491 394 1HB LYS 48 2HB LYS 48 -8.959 -9.322 -5.506 395 2HB LYS 48 1HB LYS 48 -9.123 -10.659 -4.377 396 1HG LYS 48 2HG LYS 48 -11.299 -10.129 -5.036 397 2HG LYS 48 1HG LYS 48 -11.135 -9.432 -3.431 398 1HD LYS 48 2HD LYS 48 -10.654 -7.239 -4.533 399 2HD LYS 48 1HD LYS 48 -11.020 -7.999 -6.083 400 1HE LYS 48 2HE LYS 48 -13.276 -8.528 -5.286 401 2HE LYS 48 1HE LYS 48 -12.911 -7.756 -3.745 402 1HZ LYS 48 1HZ LYS 48 -12.984 -6.424 -6.398 403 2HZ LYS 48 2HZ LYS 48 -12.560 -5.659 -4.946 404 3HZ LYS 48 3HZ LYS 48 -14.133 -6.256 -5.162 405 H THR 49 H THR 49 -7.088 -8.277 -5.521 406 HA THR 49 HA THR 49 -4.614 -9.202 -4.229 407 HB THR 49 HB THR 49 -3.793 -9.608 -6.602 408 HG1 THR 49 HG1 THR 49 -6.555 -9.753 -7.261 409 1HG2 THR 49 1HG2 THR 49 -6.108 -11.292 -5.626 410 2HG2 THR 49 2HG2 THR 49 -4.436 -11.432 -5.079 411 3HG2 THR 49 3HG2 THR 49 -4.849 -11.804 -6.753 412 H PHE 50 H PHE 50 -3.254 -7.621 -3.779 413 HA PHE 50 HA PHE 50 -3.256 -5.225 -5.478 414 1HB PHE 50 2HB PHE 50 -2.331 -5.686 -2.640 415 2HB PHE 50 1HB PHE 50 -1.905 -4.240 -3.547 416 HD1 PHE 50 HD2 PHE 50 -3.861 -2.883 -4.523 417 HD2 PHE 50 HD1 PHE 50 -4.299 -5.733 -1.389 418 HE1 PHE 50 HE2 PHE 50 -5.964 -1.810 -3.841 419 HE2 PHE 50 HE1 PHE 50 -6.399 -4.667 -0.711 420 HZ PHE 50 HZ PHE 50 -7.237 -2.699 -1.933 421 H ASN 51 H ASN 51 -1.789 -5.424 -7.077 422 HA ASN 51 HA ASN 51 0.684 -6.831 -6.753 423 1HB ASN 51 2HB ASN 51 -0.275 -4.894 -8.869 424 2HB ASN 51 1HB ASN 51 1.321 -5.635 -8.907 425 1HD2 ASN 51 1HD2 ASN 51 -2.081 -6.120 -9.319 426 2HD2 ASN 51 2HD2 ASN 51 -1.973 -7.696 -10.027 427 H VAL 52 H VAL 52 1.899 -6.081 -5.124 428 HA VAL 52 HA VAL 52 2.129 -3.257 -4.581 429 HB VAL 52 HB VAL 52 3.600 -5.560 -3.283 430 1HG1 VAL 52 1HG1 VAL 52 3.986 -4.014 -1.448 431 2HG1 VAL 52 2HG1 VAL 52 3.133 -2.741 -2.323 432 3HG1 VAL 52 3HG1 VAL 52 4.655 -3.375 -2.949 433 1HG2 VAL 52 1HG2 VAL 52 1.043 -4.194 -2.445 434 2HG2 VAL 52 2HG2 VAL 52 1.922 -5.391 -1.497 435 3HG2 VAL 52 3HG2 VAL 52 1.198 -5.848 -3.040 436 H GLU 53 H GLU 53 3.621 -1.961 -5.361 437 HA GLU 53 HA GLU 53 6.210 -3.052 -6.191 438 1HB GLU 53 2HB GLU 53 4.700 -2.823 -8.173 439 2HB GLU 53 1HB GLU 53 4.570 -1.105 -7.823 440 1HG GLU 53 2HG GLU 53 6.987 -0.871 -8.161 441 2HG GLU 53 1HG GLU 53 7.082 -2.586 -8.561 442 H VAL 54 H VAL 54 7.839 -1.960 -5.476 443 HA VAL 54 HA VAL 54 7.513 0.841 -4.755 444 HB VAL 54 HB VAL 54 6.907 -0.340 -2.722 445 1HG1 VAL 54 1HG1 VAL 54 9.609 -1.655 -2.861 446 2HG1 VAL 54 2HG1 VAL 54 8.058 -2.453 -3.132 447 3HG1 VAL 54 3HG1 VAL 54 8.447 -1.792 -1.543 448 1HG2 VAL 54 1HG2 VAL 54 8.099 1.727 -2.503 449 2HG2 VAL 54 2HG2 VAL 54 9.640 0.878 -2.591 450 3HG2 VAL 54 3HG2 VAL 54 8.569 0.622 -1.214 451 HA PRO 55 HA PRO 55 11.434 0.756 -6.878 452 1HB PRO 55 2HB PRO 55 11.502 3.596 -6.071 453 2HB PRO 55 1HB PRO 55 11.568 2.880 -7.685 454 1HG PRO 55 2HG PRO 55 9.384 4.149 -6.826 455 2HG PRO 55 1HG PRO 55 9.266 2.700 -7.841 456 1HD PRO 55 2HD PRO 55 8.912 2.973 -4.877 457 2HD PRO 55 1HD PRO 55 7.956 2.032 -6.041 458 H GLU 56 H GLU 56 11.237 2.725 -3.884 459 HA GLU 56 HA GLU 56 13.915 2.949 -3.357 460 1HB GLU 56 2HB GLU 56 12.997 2.764 -0.816 461 2HB GLU 56 1HB GLU 56 12.879 4.204 -1.813 462 1HG GLU 56 2HG GLU 56 10.675 2.214 -1.937 463 2HG GLU 56 1HG GLU 56 10.808 3.238 -0.508 464 H ARG 57 H ARG 57 11.869 0.192 -2.454 465 HA ARG 57 HA ARG 57 14.273 -1.138 -1.410 466 1HB ARG 57 2HB ARG 57 11.353 -1.819 -1.024 467 2HB ARG 57 1HB ARG 57 12.691 -2.747 -0.366 468 1HG ARG 57 2HG ARG 57 13.405 -0.684 0.856 469 2HG ARG 57 1HG ARG 57 11.908 0.074 0.322 470 1HD ARG 57 2HD ARG 57 12.111 -2.437 1.979 471 2HD ARG 57 1HD ARG 57 11.727 -0.832 2.594 472 HE ARG 57 HE ARG 57 9.926 -1.611 0.539 473 1HH1 ARG 57 1HH1 ARG 57 10.679 -2.070 3.921 474 2HH1 ARG 57 2HH1 ARG 57 9.054 -2.527 4.362 475 1HH2 ARG 57 1HH2 ARG 57 7.767 -2.187 1.124 476 2HH2 ARG 57 2HH2 ARG 57 7.414 -2.583 2.771 477 H ASP 58 H ASP 58 12.753 -0.841 -4.219 478 HA ASP 58 HA ASP 58 12.247 -2.087 -6.051 479 1HB ASP 58 2HB ASP 58 14.730 -2.006 -6.083 480 2HB ASP 58 1HB ASP 58 14.762 -3.560 -5.254 481 H LEU 59 H LEU 59 10.433 -2.894 -4.637 482 HA LEU 59 HA LEU 59 10.599 -5.826 -4.384 483 1HB LEU 59 2HB LEU 59 10.164 -4.029 -2.346 484 2HB LEU 59 1HB LEU 59 8.533 -4.464 -2.809 485 HG LEU 59 HG LEU 59 10.688 -6.356 -1.870 486 1HD1 LEU 59 1HD1 LEU 59 9.159 -6.668 0.035 487 2HD1 LEU 59 2HD1 LEU 59 8.121 -5.399 -0.617 488 3HD1 LEU 59 3HD1 LEU 59 9.759 -5.014 -0.092 489 1HD2 LEU 59 1HD2 LEU 59 7.835 -6.927 -2.663 490 2HD2 LEU 59 2HD2 LEU 59 8.965 -8.079 -1.954 491 3HD2 LEU 59 3HD2 LEU 59 9.274 -7.415 -3.558 492 H ALA 60 H ALA 60 9.136 -6.937 -5.544 493 HA ALA 60 HA ALA 60 6.641 -5.652 -6.337 494 1HB ALA 60 1HB ALA 60 6.896 -6.242 -8.671 495 2HB ALA 60 2HB ALA 60 8.478 -6.954 -8.346 496 3HB ALA 60 3HB ALA 60 8.238 -5.215 -8.165 497 H PHE 61 H PHE 61 5.166 -6.968 -5.566 498 HA PHE 61 HA PHE 61 5.034 -9.686 -6.510 499 1HB PHE 61 2HB PHE 61 4.924 -10.796 -4.388 500 2HB PHE 61 1HB PHE 61 6.403 -9.844 -4.380 501 HD1 PHE 61 HD1 PHE 61 6.222 -7.484 -3.285 502 HD2 PHE 61 HD2 PHE 61 3.453 -10.653 -2.595 503 HE1 PHE 61 HE1 PHE 61 5.526 -6.415 -1.182 504 HE2 PHE 61 HE2 PHE 61 2.757 -9.581 -0.495 505 HZ PHE 61 HZ PHE 61 3.788 -7.463 0.214 506 H ARG 62 H ARG 62 2.874 -10.555 -6.270 507 HA ARG 62 HA ARG 62 0.925 -8.419 -5.915 508 1HB ARG 62 2HB ARG 62 0.836 -10.011 -7.882 509 2HB ARG 62 1HB ARG 62 0.374 -11.270 -6.742 510 1HG ARG 62 2HG ARG 62 -1.604 -9.992 -6.117 511 2HG ARG 62 1HG ARG 62 -1.141 -8.718 -7.246 512 1HD ARG 62 2HD ARG 62 -2.784 -10.049 -8.323 513 2HD ARG 62 1HD ARG 62 -1.234 -10.428 -9.072 514 HE ARG 62 HE ARG 62 -2.203 -12.166 -6.925 515 1HH1 ARG 62 1HH1 ARG 62 -1.541 -11.666 -10.324 516 2HH1 ARG 62 2HH1 ARG 62 -1.743 -13.338 -10.741 517 1HH2 ARG 62 1HH2 ARG 62 -2.458 -14.365 -7.457 518 2HH2 ARG 62 2HH2 ARG 62 -2.206 -14.884 -9.101 519 H GLY 63 H GLY 63 0.972 -8.130 -3.710 520 1HA GLY 63 2HA GLY 63 0.486 -10.346 -1.919 521 2HA GLY 63 1HA GLY 63 0.621 -8.645 -1.476 522 H GLU 64 H GLU 64 -1.464 -11.157 -1.565 523 HA GLU 64 HA GLU 64 -3.757 -9.678 -2.498 524 1HB GLU 64 2HB GLU 64 -4.965 -11.666 -2.343 525 2HB GLU 64 1HB GLU 64 -3.361 -12.191 -2.804 526 1HG GLU 64 2HG GLU 64 -2.931 -13.134 -0.755 527 2HG GLU 64 1HG GLU 64 -4.127 -12.135 0.074 528 H MET 65 H MET 65 -5.582 -9.192 -1.219 529 HA MET 65 HA MET 65 -4.859 -8.642 1.588 530 1HB MET 65 2HB MET 65 -5.291 -6.760 -0.173 531 2HB MET 65 1HB MET 65 -6.980 -7.146 0.093 532 1HG MET 65 2HG MET 65 -5.058 -6.370 2.262 533 2HG MET 65 1HG MET 65 -6.113 -5.240 1.420 534 1HE MET 65 1HE MET 65 -7.874 -5.321 4.806 535 2HE MET 65 2HE MET 65 -7.146 -4.353 3.520 536 3HE MET 65 3HE MET 65 -6.135 -5.384 4.533 537 H THR 66 H THR 66 -5.945 -9.714 3.029 538 HA THR 66 HA THR 66 -8.669 -10.629 2.467 539 HB THR 66 HB THR 66 -7.179 -12.464 1.829 540 HG1 THR 66 HG1 THR 66 -9.195 -12.727 3.305 541 1HG2 THR 66 1HG2 THR 66 -6.116 -12.330 4.650 542 2HG2 THR 66 2HG2 THR 66 -5.246 -11.812 3.205 543 3HG2 THR 66 3HG2 THR 66 -5.669 -13.515 3.423 544 H ASN 67 H ASN 67 -7.376 -8.548 4.124 545 HA ASN 67 HA ASN 67 -7.830 -9.605 6.840 546 1HB ASN 67 2HB ASN 67 -6.179 -7.244 5.920 547 2HB ASN 67 1HB ASN 67 -6.395 -7.731 7.598 548 1HD2 ASN 67 1HD2 ASN 67 -4.078 -7.616 5.629 549 2HD2 ASN 67 2HD2 ASN 67 -3.316 -9.168 5.797 550 H TYR 68 H TYR 68 -8.846 -8.226 8.398 551 HA TYR 68 HA TYR 68 -10.544 -6.111 7.235 552 1HB TYR 68 2HB TYR 68 -11.799 -8.214 7.854 553 2HB TYR 68 1HB TYR 68 -11.315 -7.944 9.524 554 HD1 TYR 68 HD1 TYR 68 -13.370 -6.659 6.747 555 HD2 TYR 68 HD2 TYR 68 -12.423 -6.309 10.879 556 HE1 TYR 68 HE1 TYR 68 -15.354 -5.245 7.074 557 HE2 TYR 68 HE2 TYR 68 -14.405 -4.893 11.219 558 HH TYR 68 HH TYR 68 -16.870 -4.590 8.894 559 H SER 69 H SER 69 -9.340 -4.376 7.857 560 HA SER 69 HA SER 69 -8.593 -4.202 10.703 561 1HB SER 69 2HB SER 69 -7.200 -2.822 8.403 562 2HB SER 69 1HB SER 69 -6.631 -2.995 10.063 563 HG SER 69 HG SER 69 -6.331 -5.183 9.723 564 H THR 70 H THR 70 -11.035 -3.329 9.177 565 HA THR 70 HA THR 70 -11.273 -0.706 8.567 566 HB THR 70 HB THR 70 -13.288 -2.270 10.188 567 HG1 THR 70 HG1 THR 70 -14.066 -2.825 8.047 568 1HG2 THR 70 1HG2 THR 70 -13.658 0.012 8.239 569 2HG2 THR 70 2HG2 THR 70 -13.811 0.125 9.992 570 3HG2 THR 70 3HG2 THR 70 -14.945 -0.862 9.072 571 H SER 71 H SER 71 -10.689 1.077 9.577 572 HA SER 71 HA SER 71 -10.519 1.115 12.476 573 1HB SER 71 2HB SER 71 -9.421 3.361 12.046 574 2HB SER 71 1HB SER 71 -8.582 1.954 11.393 575 HG SER 71 HG SER 71 -8.652 3.481 9.782 576 H LEU 72 H LEU 72 -11.257 3.944 10.523 577 HA LEU 72 HA LEU 72 -13.802 4.194 11.992 578 1HB LEU 72 2HB LEU 72 -13.492 6.576 12.161 579 2HB LEU 72 1HB LEU 72 -12.111 5.758 12.862 580 HG LEU 72 HG LEU 72 -12.018 6.808 10.042 581 1HD1 LEU 72 1HD1 LEU 72 -11.401 8.313 12.578 582 2HD1 LEU 72 2HD1 LEU 72 -12.671 8.684 11.412 583 3HD1 LEU 72 3HD1 LEU 72 -10.977 8.843 10.950 584 1HD2 LEU 72 1HD2 LEU 72 -10.263 5.260 10.750 585 2HD2 LEU 72 2HD2 LEU 72 -9.892 6.308 12.121 586 3HD2 LEU 72 3HD2 LEU 72 -9.624 6.881 10.474 587 H THR 73 H THR 73 -12.396 3.939 8.972 588 HA THR 73 HA THR 73 -14.068 5.732 7.512 589 HB THR 73 HB THR 73 -13.286 3.870 5.668 590 HG1 THR 73 HG1 THR 73 -10.935 4.035 7.120 591 1HG2 THR 73 1HG2 THR 73 -11.393 5.421 5.216 592 2HG2 THR 73 2HG2 THR 73 -11.731 6.223 6.744 593 3HG2 THR 73 3HG2 THR 73 -12.927 6.257 5.448 594 H ASN 74 H ASN 74 -14.255 2.353 8.413 595 HA ASN 74 HA ASN 74 -15.969 0.876 8.496 596 1HB ASN 74 2HB ASN 74 -17.632 3.297 7.807 597 2HB ASN 74 1HB ASN 74 -18.326 1.701 8.068 598 1HD2 ASN 74 1HD2 ASN 74 -16.876 4.472 9.538 599 2HD2 ASN 74 2HD2 ASN 74 -17.155 4.005 11.181 600 H LEU 75 H LEU 75 -15.272 2.611 5.659 601 HA LEU 75 HA LEU 75 -15.214 2.065 3.472 602 1HB LEU 75 2HB LEU 75 -15.994 -0.632 4.538 603 2HB LEU 75 1HB LEU 75 -15.941 -0.327 2.814 604 HG LEU 75 HG LEU 75 -13.531 0.343 3.086 605 1HD1 LEU 75 1HD1 LEU 75 -13.879 -0.845 5.834 606 2HD1 LEU 75 2HD1 LEU 75 -13.570 0.853 5.476 607 3HD1 LEU 75 3HD1 LEU 75 -12.352 -0.364 5.095 608 1HD2 LEU 75 1HD2 LEU 75 -12.719 -1.958 3.250 609 2HD2 LEU 75 2HD2 LEU 75 -14.166 -1.845 2.246 610 3HD2 LEU 75 3HD2 LEU 75 -14.283 -2.461 3.896 611 H TYR 76 H TYR 76 -16.593 1.894 1.638 612 HA TYR 76 HA TYR 76 -18.350 2.775 0.551 613 1HB TYR 76 2HB TYR 76 -20.469 1.527 0.724 614 2HB TYR 76 1HB TYR 76 -19.056 0.503 0.523 615 HD1 TYR 76 HD2 TYR 76 -21.590 1.664 2.933 616 HD2 TYR 76 HD1 TYR 76 -18.479 -1.116 2.134 617 HE1 TYR 76 HE2 TYR 76 -22.262 0.364 4.891 618 HE2 TYR 76 HE1 TYR 76 -19.141 -2.429 4.086 619 HH TYR 76 HH TYR 76 -20.343 -2.095 6.232 620 H GLU 77 H GLU 77 -17.738 4.065 3.146 621 HA GLU 77 HA GLU 77 -20.333 5.285 3.741 622 1HB GLU 77 2HB GLU 77 -17.791 4.940 5.254 623 2HB GLU 77 1HB GLU 77 -18.750 6.373 5.590 624 1HG GLU 77 2HG GLU 77 -19.980 3.644 5.633 625 2HG GLU 77 1HG GLU 77 -19.117 4.287 7.029 626 HA PRO 78 HA PRO 78 -18.914 8.837 1.419 627 1HB PRO 78 2HB PRO 78 -21.027 10.447 1.948 628 2HB PRO 78 1HB PRO 78 -21.105 9.126 0.776 629 1HG PRO 78 2HG PRO 78 -22.095 9.223 3.594 630 2HG PRO 78 1HG PRO 78 -22.850 8.498 2.163 631 1HD PRO 78 2HD PRO 78 -21.492 7.058 4.051 632 2HD PRO 78 1HD PRO 78 -21.637 6.559 2.353 633 H GLY 79 H GLY 79 -17.185 9.711 2.462 634 1HA GLY 79 2HA GLY 79 -17.768 11.412 4.800 635 2HA GLY 79 1HA GLY 79 -16.345 10.382 4.734 636 H ALA 80 H ALA 80 -16.172 13.100 5.184 637 HA ALA 80 HA ALA 80 -15.194 14.213 2.648 638 1HB ALA 80 1HB ALA 80 -15.617 15.587 5.302 639 2HB ALA 80 2HB ALA 80 -16.748 15.605 3.948 640 3HB ALA 80 3HB ALA 80 -15.165 16.363 3.783 641 H VAL 81 H VAL 81 -14.233 13.422 5.943 642 HA VAL 81 HA VAL 81 -11.456 13.202 5.013 643 HB VAL 81 HB VAL 81 -12.167 14.411 7.691 644 1HG1 VAL 81 1HG1 VAL 81 -9.524 14.045 6.277 645 2HG1 VAL 81 2HG1 VAL 81 -10.085 13.162 7.697 646 3HG1 VAL 81 3HG1 VAL 81 -9.756 14.891 7.809 647 1HG2 VAL 81 1HG2 VAL 81 -12.708 15.961 5.917 648 2HG2 VAL 81 2HG2 VAL 81 -11.101 15.752 5.229 649 3HG2 VAL 81 3HG2 VAL 81 -11.291 16.505 6.813 650 H SER 82 H SER 82 -10.952 11.128 5.315 651 HA SER 82 HA SER 82 -11.554 9.973 7.893 652 1HB SER 82 2HB SER 82 -12.506 8.773 5.286 653 2HB SER 82 1HB SER 82 -12.505 7.900 6.815 654 HG SER 82 HG SER 82 -13.682 10.326 7.073 655 H GLU 83 H GLU 83 -10.554 7.637 7.977 656 HA GLU 83 HA GLU 83 -8.013 7.651 6.485 657 1HB GLU 83 2HB GLU 83 -8.618 7.054 9.349 658 2HB GLU 83 1HB GLU 83 -7.303 6.191 8.571 659 1HG GLU 83 2HG GLU 83 -6.407 8.062 9.730 660 2HG GLU 83 1HG GLU 83 -6.274 8.363 8.002 661 H PHE 84 H PHE 84 -8.127 6.106 4.950 662 HA PHE 84 HA PHE 84 -9.637 3.674 5.386 663 1HB PHE 84 2HB PHE 84 -8.461 5.003 3.095 664 2HB PHE 84 1HB PHE 84 -8.029 3.297 3.117 665 HD1 PHE 84 HD2 PHE 84 -10.984 5.495 3.543 666 HD2 PHE 84 HD1 PHE 84 -9.493 1.781 2.138 667 HE1 PHE 84 HE2 PHE 84 -13.202 4.973 2.648 668 HE2 PHE 84 HE1 PHE 84 -11.716 1.236 1.224 669 HZ PHE 84 HZ PHE 84 -13.578 2.836 1.470 670 H TYR 85 H TYR 85 -8.884 2.115 6.556 671 HA TYR 85 HA TYR 85 -6.006 1.799 6.949 672 1HB TYR 85 2HB TYR 85 -7.722 1.959 8.865 673 2HB TYR 85 1HB TYR 85 -8.221 0.342 8.396 674 HD1 TYR 85 HD1 TYR 85 -5.136 -0.337 7.698 675 HD2 TYR 85 HD2 TYR 85 -7.245 1.112 11.093 676 HE1 TYR 85 HE1 TYR 85 -3.411 -1.286 9.168 677 HE2 TYR 85 HE2 TYR 85 -5.528 0.175 12.572 678 HH TYR 85 HH TYR 85 -2.521 -0.948 11.426 679 H ILE 86 H ILE 86 -5.336 0.692 5.132 680 HA ILE 86 HA ILE 86 -6.687 -1.877 4.605 681 HB ILE 86 HB ILE 86 -4.964 -0.362 2.640 682 1HG1 ILE 86 2HG1 ILE 86 -7.986 -0.404 2.854 683 2HG1 ILE 86 1HG1 ILE 86 -6.966 0.964 3.284 684 1HG2 ILE 86 1HG2 ILE 86 -6.021 -1.833 1.005 685 2HG2 ILE 86 2HG2 ILE 86 -6.966 -2.593 2.285 686 3HG2 ILE 86 3HG2 ILE 86 -5.210 -2.774 2.258 687 1HD1 ILE 86 1HD1 ILE 86 -8.001 1.248 1.105 688 2HD1 ILE 86 2HD1 ILE 86 -7.232 -0.235 0.537 689 3HD1 ILE 86 3HD1 ILE 86 -6.245 1.161 0.975 690 H GLU 87 H GLU 87 -5.589 -3.371 5.674 691 HA GLU 87 HA GLU 87 -2.668 -3.218 5.810 692 1HB GLU 87 2HB GLU 87 -3.884 -3.334 7.937 693 2HB GLU 87 1HB GLU 87 -4.644 -4.835 7.432 694 1HG GLU 87 2HG GLU 87 -2.482 -5.940 7.413 695 2HG GLU 87 1HG GLU 87 -1.696 -4.429 7.871 696 H ILE 88 H ILE 88 -1.579 -4.401 4.406 697 HA ILE 88 HA ILE 88 -2.823 -6.847 3.302 698 HB ILE 88 HB ILE 88 -0.528 -5.255 2.135 699 1HG1 ILE 88 2HG1 ILE 88 -3.426 -5.225 1.264 700 2HG1 ILE 88 1HG1 ILE 88 -2.671 -3.964 2.233 701 1HG2 ILE 88 1HG2 ILE 88 -1.057 -6.526 0.084 702 2HG2 ILE 88 2HG2 ILE 88 -2.261 -7.444 0.990 703 3HG2 ILE 88 3HG2 ILE 88 -0.554 -7.565 1.416 704 1HD1 ILE 88 1HD1 ILE 88 -1.840 -4.768 -0.542 705 2HD1 ILE 88 2HD1 ILE 88 -1.126 -3.480 0.430 706 3HD1 ILE 88 3HD1 ILE 88 -2.799 -3.350 -0.116 707 H THR 89 H THR 89 -1.994 -8.705 3.943 708 HA THR 89 HA THR 89 0.658 -8.787 5.163 709 HB THR 89 HB THR 89 -0.172 -11.260 5.567 710 HG1 THR 89 HG1 THR 89 -2.265 -11.587 5.251 711 1HG2 THR 89 1HG2 THR 89 -1.320 -8.883 7.036 712 2HG2 THR 89 2HG2 THR 89 0.248 -9.633 7.338 713 3HG2 THR 89 3HG2 THR 89 -1.236 -10.530 7.662 714 H GLU 90 H GLU 90 2.366 -9.648 4.140 715 HA GLU 90 HA GLU 90 2.344 -10.231 1.416 716 1HB GLU 90 2HB GLU 90 4.379 -9.571 2.561 717 2HB GLU 90 1HB GLU 90 4.347 -11.036 3.531 718 1HG GLU 90 2HG GLU 90 4.718 -12.385 1.549 719 2HG GLU 90 1HG GLU 90 4.695 -10.939 0.542 720 H ILE 91 H ILE 91 2.148 -12.044 0.218 721 HA ILE 91 HA ILE 91 1.071 -14.391 1.490 722 HB ILE 91 HB ILE 91 1.370 -15.143 -1.119 723 1HG1 ILE 91 2HG1 ILE 91 0.421 -13.151 -2.400 724 2HG1 ILE 91 1HG1 ILE 91 0.952 -12.150 -1.057 725 1HG2 ILE 91 1HG2 ILE 91 -0.913 -13.626 0.112 726 2HG2 ILE 91 2HG2 ILE 91 -0.613 -15.358 0.250 727 3HG2 ILE 91 3HG2 ILE 91 -1.010 -14.652 -1.319 728 1HD1 ILE 91 1HD1 ILE 91 2.712 -13.844 -2.815 729 2HD1 ILE 91 2HD1 ILE 91 3.261 -12.885 -1.442 730 3HD1 ILE 91 3HD1 ILE 91 2.563 -12.088 -2.852 731 H ASP 92 H ASP 92 1.903 -16.578 0.898 732 HA ASP 92 HA ASP 92 4.720 -16.459 1.631 733 1HB ASP 92 2HB ASP 92 2.658 -18.623 2.025 734 2HB ASP 92 1HB ASP 92 4.345 -18.764 2.510 735 H LYS 93 H LYS 93 5.648 -18.905 1.197 736 HA LYS 93 HA LYS 93 5.964 -18.950 -1.694 737 1HB LYS 93 2HB LYS 93 7.792 -19.143 0.229 738 2HB LYS 93 1HB LYS 93 7.377 -20.846 0.130 739 1HG LYS 93 2HG LYS 93 9.228 -20.598 -1.269 740 2HG LYS 93 1HG LYS 93 7.846 -20.648 -2.365 741 1HD LYS 93 2HD LYS 93 7.870 -18.237 -2.568 742 2HD LYS 93 1HD LYS 93 9.160 -18.120 -1.373 743 1HE LYS 93 2HE LYS 93 10.155 -17.877 -3.522 744 2HE LYS 93 1HE LYS 93 10.596 -19.470 -2.913 745 1HZ LYS 93 1HZ LYS 93 8.922 -20.468 -4.307 746 2HZ LYS 93 2HZ LYS 93 9.930 -19.489 -5.261 747 3HZ LYS 93 3HZ LYS 93 8.390 -18.942 -4.826 748 H ASN 94 H ASN 94 3.686 -20.042 0.058 749 HA ASN 94 HA ASN 94 3.668 -22.863 -0.200 750 1HB ASN 94 2HB ASN 94 1.406 -22.747 0.609 751 2HB ASN 94 1HB ASN 94 2.357 -21.560 1.487 752 1HD2 ASN 94 1HD2 ASN 94 -0.289 -22.102 -0.608 753 2HD2 ASN 94 2HD2 ASN 94 -0.810 -20.452 -0.748 754 H ALA 95 H ALA 95 2.611 -20.246 -2.240 755 HA ALA 95 HA ALA 95 1.154 -21.913 -4.070 756 1HB ALA 95 1HB ALA 95 1.085 -19.932 -5.503 757 2HB ALA 95 2HB ALA 95 2.235 -19.118 -4.442 758 3HB ALA 95 3HB ALA 95 0.630 -19.533 -3.845 759 H ASP 96 H ASP 96 4.042 -19.934 -4.650 760 HA ASP 96 HA ASP 96 5.969 -20.279 -5.784 761 1HB ASP 96 2HB ASP 96 5.870 -22.333 -4.143 762 2HB ASP 96 1HB ASP 96 5.626 -23.250 -5.619 763 H SER 97 H SER 97 6.836 -22.053 -7.610 764 HA SER 97 HA SER 97 4.750 -22.348 -9.623 765 1HB SER 97 2HB SER 97 6.583 -21.406 -11.241 766 2HB SER 97 1HB SER 97 5.548 -20.289 -10.356 767 HG SER 97 HG SER 97 7.200 -19.933 -8.907 768 H LEU 98 H LEU 98 6.470 -24.040 -7.869 769 HA LEU 98 HA LEU 98 8.400 -25.382 -9.447 770 1HB LEU 98 2HB LEU 98 8.292 -25.389 -6.952 771 2HB LEU 98 1HB LEU 98 6.874 -26.415 -7.049 772 HG LEU 98 HG LEU 98 8.247 -28.158 -8.156 773 1HD1 LEU 98 1HD1 LEU 98 9.944 -26.731 -9.151 774 2HD1 LEU 98 2HD1 LEU 98 10.686 -27.947 -8.110 775 3HD1 LEU 98 3HD1 LEU 98 10.529 -26.284 -7.548 776 1HD2 LEU 98 1HD2 LEU 98 9.497 -28.809 -6.151 777 2HD2 LEU 98 2HD2 LEU 98 7.878 -28.237 -5.755 778 3HD2 LEU 98 3HD2 LEU 98 9.273 -27.190 -5.491 779 H GLU 99 H GLU 99 8.251 -27.284 -10.620 780 HA GLU 99 HA GLU 99 5.858 -27.629 -12.052 781 1HB GLU 99 2HB GLU 99 8.107 -28.085 -12.968 782 2HB GLU 99 1HB GLU 99 8.239 -29.483 -11.910 783 1HG GLU 99 2HG GLU 99 7.647 -30.121 -14.183 784 2HG GLU 99 1HG GLU 99 6.377 -30.545 -13.036 785 H HIS 100 H HIS 100 4.274 -29.137 -12.016 786 HA HIS 100 HA HIS 100 4.372 -31.524 -10.485 787 1HB HIS 100 2HB HIS 100 2.548 -30.998 -8.876 788 2HB HIS 100 1HB HIS 100 4.023 -30.096 -8.565 789 HD1 HIS 100 HD1 HIS 100 3.951 -27.508 -9.071 790 HD2 HIS 100 HD2 HIS 100 0.294 -29.473 -9.391 791 HE1 HIS 100 HE1 HIS 100 2.202 -25.702 -9.039 792 HE2 HIS 100 HE2 HIS 100 -0.004 -26.909 -9.154 793 H HIS 101 H HIS 101 3.264 -32.917 -11.657 794 HA HIS 101 HA HIS 101 0.910 -31.954 -13.167 795 1HB HIS 101 2HB HIS 101 3.058 -33.881 -14.069 796 2HB HIS 101 1HB HIS 101 1.537 -33.653 -14.915 797 HD1 HIS 101 HD1 HIS 101 4.466 -33.084 -16.022 798 HD2 HIS 101 HD2 HIS 101 1.721 -30.260 -14.692 799 HE1 HIS 101 HE1 HIS 101 5.090 -30.939 -17.177 800 HE2 HIS 101 HE2 HIS 101 3.584 -29.209 -16.139 801 H HIS 102 H HIS 102 -0.068 -34.185 -14.185 802 HA HIS 102 HA HIS 102 -1.136 -36.153 -13.898 803 1HB HIS 102 2HB HIS 102 0.840 -36.526 -11.647 804 2HB HIS 102 1HB HIS 102 -0.323 -37.752 -12.129 805 HD1 HIS 102 HD1 HIS 102 0.235 -39.164 -14.133 806 HD2 HIS 102 HD2 HIS 102 2.891 -36.020 -13.565 807 HE1 HIS 102 HE1 HIS 102 2.152 -39.602 -15.706 808 HE2 HIS 102 HE2 HIS 102 3.842 -37.812 -15.162 809 H HIS 103 H HIS 103 -0.499 -35.830 -10.467 810 HA HIS 103 HA HIS 103 -3.347 -35.296 -10.001 811 1HB HIS 103 2HB HIS 103 -2.895 -37.771 -10.008 812 2HB HIS 103 1HB HIS 103 -1.779 -37.525 -8.673 813 HD1 HIS 103 HD1 HIS 103 -2.781 -37.326 -6.327 814 HD2 HIS 103 HD2 HIS 103 -5.634 -37.464 -9.352 815 HE1 HIS 103 HE1 HIS 103 -4.980 -37.665 -5.170 816 HE2 HIS 103 HE2 HIS 103 -6.646 -37.981 -7.029 817 H HIS 104 H HIS 104 -3.738 -34.109 -8.147 818 HA HIS 104 HA HIS 104 -1.444 -32.886 -6.897 819 1HB HIS 104 2HB HIS 104 -4.395 -32.625 -6.256 820 2HB HIS 104 1HB HIS 104 -3.115 -31.647 -5.549 821 HD1 HIS 104 HD1 HIS 104 -5.613 -30.782 -7.478 822 HD2 HIS 104 HD2 HIS 104 -1.561 -30.952 -8.411 823 HE1 HIS 104 HE1 HIS 104 -5.296 -29.225 -9.430 824 HE2 HIS 104 HE2 HIS 104 -2.809 -29.183 -9.831 825 H HIS 105 H HIS 105 -0.317 -34.011 -5.510 826 HA HIS 105 HA HIS 105 0.319 -35.436 -3.867 827 1HB HIS 105 2HB HIS 105 -2.551 -35.411 -2.905 828 2HB HIS 105 1HB HIS 105 -1.135 -35.916 -1.991 829 HD1 HIS 105 HD1 HIS 105 -3.335 -33.451 -1.626 830 HD2 HIS 105 HD2 HIS 105 0.742 -33.270 -2.426 831 HE1 HIS 105 HE1 HIS 105 -2.597 -31.162 -0.877 832 HE2 HIS 105 HE2 HIS 105 -0.182 -31.001 -1.578 Start of MODEL 3 1 1H MET 1 1H MET 1 9.339 3.110 7.042 2 2H MET 1 2H MET 1 9.616 3.294 5.382 3 3H MET 1 3H MET 1 8.451 2.183 5.932 4 HA MET 1 HA MET 1 7.098 3.955 6.782 5 1HB MET 1 2HB MET 1 8.930 5.505 7.328 6 2HB MET 1 1HB MET 1 9.222 5.762 5.612 7 1HG MET 1 2HG MET 1 6.992 6.729 5.375 8 2HG MET 1 1HG MET 1 6.696 6.473 7.094 9 1HE MET 1 1HE MET 1 6.283 9.299 5.706 10 2HE MET 1 2HE MET 1 7.023 10.357 6.913 11 3HE MET 1 3HE MET 1 6.028 8.992 7.422 12 H VAL 2 H VAL 2 8.993 4.393 3.808 13 HA VAL 2 HA VAL 2 8.437 4.222 1.614 14 HB VAL 2 HB VAL 2 5.756 3.220 2.593 15 1HG1 VAL 2 1HG1 VAL 2 5.437 2.402 0.310 16 2HG1 VAL 2 2HG1 VAL 2 6.931 3.198 -0.183 17 3HG1 VAL 2 3HG1 VAL 2 5.557 4.159 0.366 18 1HG2 VAL 2 1HG2 VAL 2 8.151 1.738 1.521 19 2HG2 VAL 2 2HG2 VAL 2 6.603 1.020 1.966 20 3HG2 VAL 2 3HG2 VAL 2 7.614 1.771 3.202 21 H LYS 3 H LYS 3 8.192 5.949 0.409 22 HA LYS 3 HA LYS 3 5.853 7.676 0.866 23 1HB LYS 3 2HB LYS 3 7.805 8.962 1.416 24 2HB LYS 3 1HB LYS 3 8.641 8.423 -0.035 25 1HG LYS 3 2HG LYS 3 7.875 10.715 -0.272 26 2HG LYS 3 1HG LYS 3 7.057 9.654 -1.419 27 1HD LYS 3 2HD LYS 3 5.177 9.519 0.294 28 2HD LYS 3 1HD LYS 3 5.966 10.874 1.106 29 1HE LYS 3 2HE LYS 3 4.938 10.820 -1.731 30 2HE LYS 3 1HE LYS 3 4.215 11.679 -0.374 31 1HZ LYS 3 1HZ LYS 3 5.533 13.116 -1.839 32 2HZ LYS 3 2HZ LYS 3 6.922 12.222 -1.470 33 3HZ LYS 3 3HZ LYS 3 6.131 13.102 -0.253 34 H THR 4 H THR 4 8.244 6.877 -1.667 35 HA THR 4 HA THR 4 6.322 7.358 -3.747 36 HB THR 4 HB THR 4 8.952 5.928 -4.093 37 HG1 THR 4 HG1 THR 4 9.347 7.855 -2.891 38 1HG2 THR 4 1HG2 THR 4 7.515 6.019 -6.047 39 2HG2 THR 4 2HG2 THR 4 8.908 7.080 -6.275 40 3HG2 THR 4 3HG2 THR 4 7.336 7.764 -5.862 41 H LEU 5 H LEU 5 4.623 5.917 -3.493 42 HA LEU 5 HA LEU 5 5.274 3.057 -3.807 43 1HB LEU 5 2HB LEU 5 4.243 3.583 -1.632 44 2HB LEU 5 1HB LEU 5 2.880 4.314 -2.457 45 HG LEU 5 HG LEU 5 2.358 2.090 -3.456 46 1HD1 LEU 5 1HD1 LEU 5 4.575 1.099 -3.320 47 2HD1 LEU 5 2HD1 LEU 5 3.390 0.098 -2.480 48 3HD1 LEU 5 3HD1 LEU 5 4.494 1.121 -1.558 49 1HD2 LEU 5 1HD2 LEU 5 1.171 2.877 -1.493 50 2HD2 LEU 5 2HD2 LEU 5 2.428 2.222 -0.444 51 3HD2 LEU 5 3HD2 LEU 5 1.424 1.134 -1.403 52 H ARG 6 H ARG 6 4.163 1.900 -5.349 53 HA ARG 6 HA ARG 6 1.973 3.181 -6.771 54 1HB ARG 6 2HB ARG 6 4.040 3.820 -7.992 55 2HB ARG 6 1HB ARG 6 4.419 2.117 -8.204 56 1HG ARG 6 2HG ARG 6 2.453 1.805 -9.561 57 2HG ARG 6 1HG ARG 6 1.953 3.470 -9.269 58 1HD ARG 6 2HD ARG 6 2.969 3.304 -11.448 59 2HD ARG 6 1HD ARG 6 4.006 4.252 -10.385 60 HE ARG 6 HE ARG 6 5.113 1.859 -10.115 61 1HH1 ARG 6 1HH1 ARG 6 4.011 3.521 -13.002 62 2HH1 ARG 6 2HH1 ARG 6 5.161 2.726 -14.045 63 1HH2 ARG 6 1HH2 ARG 6 6.620 0.819 -11.484 64 2HH2 ARG 6 2HH2 ARG 6 6.648 1.210 -13.180 65 H LEU 7 H LEU 7 0.439 1.710 -6.432 66 HA LEU 7 HA LEU 7 1.094 -1.131 -6.372 67 1HB LEU 7 2HB LEU 7 -1.517 0.306 -5.867 68 2HB LEU 7 1HB LEU 7 -1.258 -1.416 -5.661 69 HG LEU 7 HG LEU 7 0.032 0.796 -4.057 70 1HD1 LEU 7 1HD1 LEU 7 -1.230 -0.190 -2.201 71 2HD1 LEU 7 2HD1 LEU 7 -1.979 -1.326 -3.322 72 3HD1 LEU 7 3HD1 LEU 7 -2.293 0.402 -3.477 73 1HD2 LEU 7 1HD2 LEU 7 0.355 -2.195 -3.819 74 2HD2 LEU 7 2HD2 LEU 7 1.050 -0.982 -2.744 75 3HD2 LEU 7 3HD2 LEU 7 1.576 -1.076 -4.424 76 H ASN 8 H ASN 8 1.320 -1.965 -8.331 77 HA ASN 8 HA ASN 8 0.913 -2.611 -10.465 78 1HB ASN 8 2HB ASN 8 -0.979 -3.706 -9.262 79 2HB ASN 8 1HB ASN 8 -1.987 -2.322 -9.658 80 1HD2 ASN 8 1HD2 ASN 8 0.409 -3.662 -11.843 81 2HD2 ASN 8 2HD2 ASN 8 -0.729 -4.277 -12.998 82 H ASN 9 H ASN 9 1.775 -0.309 -10.833 83 HA ASN 9 HA ASN 9 1.894 1.332 -12.398 84 1HB ASN 9 2HB ASN 9 0.805 -0.194 -13.959 85 2HB ASN 9 1HB ASN 9 -0.775 0.263 -13.340 86 1HD2 ASN 9 1HD2 ASN 9 -1.732 2.101 -14.063 87 2HD2 ASN 9 2HD2 ASN 9 -1.078 3.088 -15.325 88 H VAL 10 H VAL 10 -0.562 1.169 -10.084 89 HA VAL 10 HA VAL 10 -1.546 3.865 -10.628 90 HB VAL 10 HB VAL 10 -2.414 1.879 -8.519 91 1HG1 VAL 10 1HG1 VAL 10 -2.835 4.161 -7.806 92 2HG1 VAL 10 2HG1 VAL 10 -4.353 3.368 -8.230 93 3HG1 VAL 10 3HG1 VAL 10 -3.617 4.520 -9.345 94 1HG2 VAL 10 1HG2 VAL 10 -4.418 1.643 -9.945 95 2HG2 VAL 10 2HG2 VAL 10 -2.939 1.095 -10.734 96 3HG2 VAL 10 3HG2 VAL 10 -3.637 2.659 -11.157 97 H THR 11 H THR 11 -0.432 5.478 -9.841 98 HA THR 11 HA THR 11 1.520 5.211 -7.810 99 HB THR 11 HB THR 11 1.709 7.677 -8.003 100 HG1 THR 11 HG1 THR 11 -0.700 7.805 -8.477 101 1HG2 THR 11 1HG2 THR 11 2.275 7.738 -10.420 102 2HG2 THR 11 2HG2 THR 11 1.464 6.182 -10.619 103 3HG2 THR 11 3HG2 THR 11 2.904 6.304 -9.607 104 H LEU 12 H LEU 12 1.323 5.435 -5.629 105 HA LEU 12 HA LEU 12 -1.234 6.485 -4.618 106 1HB LEU 12 2HB LEU 12 -1.243 3.992 -4.720 107 2HB LEU 12 1HB LEU 12 0.118 3.981 -3.614 108 HG LEU 12 HG LEU 12 -1.313 5.139 -1.930 109 1HD1 LEU 12 1HD1 LEU 12 -2.899 6.155 -3.484 110 2HD1 LEU 12 2HD1 LEU 12 -3.726 5.169 -2.281 111 3HD1 LEU 12 3HD1 LEU 12 -3.504 4.558 -3.920 112 1HD2 LEU 12 1HD2 LEU 12 -2.581 3.153 -1.328 113 2HD2 LEU 12 2HD2 LEU 12 -0.973 2.713 -1.904 114 3HD2 LEU 12 3HD2 LEU 12 -2.372 2.510 -2.956 115 H GLU 13 H GLU 13 -1.176 7.485 -2.655 116 HA GLU 13 HA GLU 13 1.426 7.722 -1.318 117 1HB GLU 13 2HB GLU 13 -0.548 9.922 -1.950 118 2HB GLU 13 1HB GLU 13 0.736 10.101 -0.761 119 1HG GLU 13 2HG GLU 13 2.420 9.812 -2.425 120 2HG GLU 13 1HG GLU 13 1.220 9.375 -3.639 121 H MET 14 H MET 14 1.157 8.463 0.994 122 HA MET 14 HA MET 14 -1.282 7.357 2.172 123 1HB MET 14 2HB MET 14 0.013 5.949 3.697 124 2HB MET 14 1HB MET 14 0.332 5.500 2.023 125 1HG MET 14 2HG MET 14 2.116 7.191 3.766 126 2HG MET 14 1HG MET 14 2.342 5.481 3.411 127 1HE MET 14 1HE MET 14 2.959 4.538 1.002 128 2HE MET 14 2HE MET 14 3.091 5.553 -0.436 129 3HE MET 14 3HE MET 14 1.528 5.342 0.356 130 H ALA 15 H ALA 15 -1.204 7.635 4.586 131 HA ALA 15 HA ALA 15 0.245 10.087 5.323 132 1HB ALA 15 1HB ALA 15 -2.171 10.473 5.122 133 2HB ALA 15 2HB ALA 15 -1.615 10.665 6.787 134 3HB ALA 15 3HB ALA 15 -2.467 9.199 6.305 135 H ALA 16 H ALA 16 -1.389 7.236 6.701 136 HA ALA 16 HA ALA 16 0.905 6.937 8.523 137 1HB ALA 16 1HB ALA 16 -1.173 7.450 9.721 138 2HB ALA 16 2HB ALA 16 -0.570 5.837 10.107 139 3HB ALA 16 3HB ALA 16 -1.930 6.028 9.003 140 H TYR 17 H TYR 17 1.993 5.775 6.883 141 HA TYR 17 HA TYR 17 0.937 3.224 6.005 142 1HB TYR 17 2HB TYR 17 2.431 4.795 4.648 143 2HB TYR 17 1HB TYR 17 3.751 4.270 5.681 144 HD1 TYR 17 HD1 TYR 17 4.324 1.765 5.687 145 HD2 TYR 17 HD2 TYR 17 1.838 3.589 2.760 146 HE1 TYR 17 HE1 TYR 17 4.773 -0.103 4.151 147 HE2 TYR 17 HE2 TYR 17 2.267 1.727 1.222 148 HH TYR 17 HH TYR 17 3.728 -1.176 2.193 149 H GLN 18 H GLN 18 0.731 1.923 7.843 150 HA GLN 18 HA GLN 18 3.054 1.627 9.594 151 1HB GLN 18 2HB GLN 18 0.646 1.904 10.434 152 2HB GLN 18 1HB GLN 18 0.380 0.255 9.887 153 1HG GLN 18 2HG GLN 18 2.563 0.966 11.820 154 2HG GLN 18 1HG GLN 18 0.919 0.617 12.343 155 1HE2 GLN 18 1HE2 GLN 18 3.478 -0.768 12.826 156 2HE2 GLN 18 2HE2 GLN 18 3.209 -2.404 12.333 157 H GLU 19 H GLU 19 4.522 0.135 9.065 158 HA GLU 19 HA GLU 19 3.607 -2.185 7.521 159 1HB GLU 19 2HB GLU 19 5.997 -2.397 6.795 160 2HB GLU 19 1HB GLU 19 5.187 -0.939 6.245 161 1HG GLU 19 2HG GLU 19 6.294 0.357 7.975 162 2HG GLU 19 1HG GLU 19 7.064 -1.100 8.597 163 H GLU 20 H GLU 20 3.480 -4.031 8.551 164 HA GLU 20 HA GLU 20 5.165 -4.555 10.887 165 1HB GLU 20 2HB GLU 20 2.857 -6.088 9.666 166 2HB GLU 20 1HB GLU 20 3.784 -6.659 11.045 167 1HG GLU 20 2HG GLU 20 3.067 -4.739 12.346 168 2HG GLU 20 1HG GLU 20 2.180 -4.115 10.955 169 H SER 21 H SER 21 7.160 -5.185 10.296 170 HA SER 21 HA SER 21 7.423 -6.908 7.921 171 1HB SER 21 2HB SER 21 8.519 -4.598 7.992 172 2HB SER 21 1HB SER 21 9.609 -5.264 9.203 173 HG SER 21 HG SER 21 10.102 -6.918 7.591 174 H GLU 22 H GLU 22 7.158 -7.328 11.089 175 HA GLU 22 HA GLU 22 9.471 -9.037 11.412 176 1HB GLU 22 2HB GLU 22 7.421 -8.132 13.386 177 2HB GLU 22 1HB GLU 22 8.682 -9.295 13.773 178 1HG GLU 22 2HG GLU 22 9.192 -6.526 12.764 179 2HG GLU 22 1HG GLU 22 9.149 -6.971 14.469 180 HA PRO 23 HA PRO 23 6.483 -12.323 12.352 181 1HB PRO 23 2HB PRO 23 3.824 -12.048 12.161 182 2HB PRO 23 1HB PRO 23 4.729 -11.497 13.578 183 1HG PRO 23 2HG PRO 23 3.722 -9.901 11.252 184 2HG PRO 23 1HG PRO 23 3.624 -9.531 12.985 185 1HD PRO 23 2HD PRO 23 5.537 -8.495 11.340 186 2HD PRO 23 1HD PRO 23 5.789 -8.778 13.075 187 H LYS 24 H LYS 24 6.213 -10.288 9.762 188 HA LYS 24 HA LYS 24 6.398 -12.126 7.714 189 1HB LYS 24 2HB LYS 24 3.890 -12.442 8.585 190 2HB LYS 24 1HB LYS 24 3.618 -11.021 7.584 191 1HG LYS 24 2HG LYS 24 4.554 -12.216 5.654 192 2HG LYS 24 1HG LYS 24 4.773 -13.647 6.663 193 1HD LYS 24 2HD LYS 24 2.294 -13.584 7.102 194 2HD LYS 24 1HD LYS 24 2.183 -12.325 5.868 195 1HE LYS 24 2HE LYS 24 3.281 -13.908 4.270 196 2HE LYS 24 1HE LYS 24 3.143 -15.161 5.500 197 1HZ LYS 24 1HZ LYS 24 0.982 -13.798 4.014 198 2HZ LYS 24 2HZ LYS 24 0.669 -14.603 5.465 199 3HZ LYS 24 3HZ LYS 24 1.284 -15.461 4.145 200 H ARG 25 H ARG 25 5.289 -10.749 5.593 201 HA ARG 25 HA ARG 25 6.047 -7.959 6.094 202 1HB ARG 25 2HB ARG 25 5.981 -9.591 3.565 203 2HB ARG 25 1HB ARG 25 6.054 -7.832 3.535 204 1HG ARG 25 2HG ARG 25 8.129 -7.848 4.757 205 2HG ARG 25 1HG ARG 25 8.036 -9.597 4.953 206 1HD ARG 25 2HD ARG 25 8.143 -8.253 2.270 207 2HD ARG 25 1HD ARG 25 9.585 -8.752 3.151 208 HE ARG 25 HE ARG 25 7.649 -10.863 2.824 209 1HH1 ARG 25 1HH1 ARG 25 10.376 -9.186 1.387 210 2HH1 ARG 25 2HH1 ARG 25 10.823 -10.521 0.359 211 1HH2 ARG 25 1HH2 ARG 25 8.247 -12.637 1.498 212 2HH2 ARG 25 2HH2 ARG 25 9.616 -12.487 0.427 213 H LYS 26 H LYS 26 4.314 -6.984 6.835 214 HA LYS 26 HA LYS 26 1.798 -7.204 5.314 215 1HB LYS 26 2HB LYS 26 1.548 -8.477 7.345 216 2HB LYS 26 1HB LYS 26 2.222 -7.170 8.304 217 1HG LYS 26 2HG LYS 26 0.272 -5.809 7.890 218 2HG LYS 26 1HG LYS 26 -0.394 -7.044 6.816 219 1HD LYS 26 2HD LYS 26 -0.496 -8.620 8.674 220 2HD LYS 26 1HD LYS 26 0.212 -7.413 9.749 221 1HE LYS 26 2HE LYS 26 -2.404 -7.073 8.290 222 2HE LYS 26 1HE LYS 26 -2.257 -7.642 9.952 223 1HZ LYS 26 1HZ LYS 26 -1.164 -5.537 10.519 224 2HZ LYS 26 2HZ LYS 26 -2.737 -5.294 9.914 225 3HZ LYS 26 3HZ LYS 26 -1.396 -4.989 8.930 226 H ILE 27 H ILE 27 1.480 -5.288 4.372 227 HA ILE 27 HA ILE 27 2.435 -2.881 5.758 228 HB ILE 27 HB ILE 27 2.183 -1.780 3.502 229 1HG1 ILE 27 2HG1 ILE 27 1.951 -4.646 2.556 230 2HG1 ILE 27 1HG1 ILE 27 0.633 -3.483 2.551 231 1HG2 ILE 27 1HG2 ILE 27 4.267 -2.768 2.624 232 2HG2 ILE 27 2HG2 ILE 27 4.097 -4.095 3.774 233 3HG2 ILE 27 3HG2 ILE 27 4.345 -2.452 4.358 234 1HD1 ILE 27 1HD1 ILE 27 1.638 -3.745 0.345 235 2HD1 ILE 27 2HD1 ILE 27 3.192 -3.217 0.998 236 3HD1 ILE 27 3HD1 ILE 27 1.827 -2.101 0.962 237 H ALA 28 H ALA 28 0.928 -1.949 6.931 238 HA ALA 28 HA ALA 28 -1.844 -1.897 5.937 239 1HB ALA 28 1HB ALA 28 -0.800 -1.535 8.745 240 2HB ALA 28 2HB ALA 28 -1.571 -2.987 8.105 241 3HB ALA 28 3HB ALA 28 -2.498 -1.494 8.264 242 H PHE 29 H PHE 29 -1.792 -0.075 4.638 243 HA PHE 29 HA PHE 29 -0.791 2.364 5.903 244 1HB PHE 29 2HB PHE 29 -1.046 3.387 3.611 245 2HB PHE 29 1HB PHE 29 0.179 2.140 3.771 246 HD1 PHE 29 HD2 PHE 29 -3.053 3.023 2.282 247 HD2 PHE 29 HD1 PHE 29 -0.047 0.027 2.647 248 HE1 PHE 29 HE2 PHE 29 -3.995 1.844 0.340 249 HE2 PHE 29 HE1 PHE 29 -0.983 -1.153 0.701 250 HZ PHE 29 HZ PHE 29 -2.958 -0.246 -0.454 251 H THR 30 H THR 30 -1.998 3.909 6.576 252 HA THR 30 HA THR 30 -4.891 3.777 6.185 253 HB THR 30 HB THR 30 -3.371 5.628 8.024 254 HG1 THR 30 HG1 THR 30 -3.386 3.010 8.159 255 1HG2 THR 30 1HG2 THR 30 -6.180 4.531 8.122 256 2HG2 THR 30 2HG2 THR 30 -5.734 6.157 7.604 257 3HG2 THR 30 3HG2 THR 30 -5.463 5.657 9.274 258 H LEU 31 H LEU 31 -5.887 5.161 4.853 259 HA LEU 31 HA LEU 31 -4.268 7.330 3.682 260 1HB LEU 31 2HB LEU 31 -4.628 5.343 2.225 261 2HB LEU 31 1HB LEU 31 -6.354 5.617 2.321 262 HG LEU 31 HG LEU 31 -4.540 7.747 1.235 263 1HD1 LEU 31 1HD1 LEU 31 -5.714 5.437 -0.306 264 2HD1 LEU 31 2HD1 LEU 31 -4.001 5.695 0.025 265 3HD1 LEU 31 3HD1 LEU 31 -4.885 6.830 -0.998 266 1HD2 LEU 31 1HD2 LEU 31 -6.541 8.372 -0.008 267 2HD2 LEU 31 2HD2 LEU 31 -6.884 8.312 1.723 268 3HD2 LEU 31 3HD2 LEU 31 -7.410 6.996 0.672 269 H ASN 32 H ASN 32 -5.160 9.318 3.555 270 HA ASN 32 HA ASN 32 -7.599 9.857 4.954 271 1HB ASN 32 2HB ASN 32 -5.693 11.606 3.398 272 2HB ASN 32 1HB ASN 32 -7.152 12.223 4.148 273 1HD2 ASN 32 1HD2 ASN 32 -7.039 10.627 6.512 274 2HD2 ASN 32 2HD2 ASN 32 -5.713 11.227 7.448 275 H VAL 33 H VAL 33 -9.402 9.075 3.870 276 HA VAL 33 HA VAL 33 -9.837 9.809 1.117 277 HB VAL 33 HB VAL 33 -11.699 8.521 3.104 278 1HG1 VAL 33 1HG1 VAL 33 -13.193 8.109 1.219 279 2HG1 VAL 33 2HG1 VAL 33 -12.103 8.986 0.146 280 3HG1 VAL 33 3HG1 VAL 33 -12.949 9.843 1.434 281 1HG2 VAL 33 1HG2 VAL 33 -10.161 7.461 0.738 282 2HG2 VAL 33 2HG2 VAL 33 -11.348 6.544 1.661 283 3HG2 VAL 33 3HG2 VAL 33 -9.865 7.098 2.438 284 H THR 34 H THR 34 -9.884 11.986 0.915 285 HA THR 34 HA THR 34 -11.630 13.519 2.710 286 HB THR 34 HB THR 34 -10.423 15.509 1.812 287 HG1 THR 34 HG1 THR 34 -8.279 14.545 0.760 288 1HG2 THR 34 1HG2 THR 34 -9.650 14.482 3.884 289 2HG2 THR 34 2HG2 THR 34 -8.271 15.053 2.943 290 3HG2 THR 34 3HG2 THR 34 -8.666 13.335 2.974 291 H SER 35 H SER 35 -12.129 15.723 1.115 292 HA SER 35 HA SER 35 -14.320 14.868 -0.422 293 1HB SER 35 2HB SER 35 -12.878 17.529 -0.492 294 2HB SER 35 1HB SER 35 -14.500 17.220 -1.112 295 HG SER 35 HG SER 35 -15.232 17.467 0.832 296 H GLU 36 H GLU 36 -10.988 15.212 -1.228 297 HA GLU 36 HA GLU 36 -11.536 15.333 -4.094 298 1HB GLU 36 2HB GLU 36 -9.797 16.795 -3.126 299 2HB GLU 36 1HB GLU 36 -8.906 15.372 -2.602 300 1HG GLU 36 2HG GLU 36 -8.493 14.718 -4.864 301 2HG GLU 36 1HG GLU 36 -9.546 15.997 -5.473 302 H THR 37 H THR 37 -9.771 13.263 -1.786 303 HA THR 37 HA THR 37 -9.164 11.308 -3.803 304 HB THR 37 HB THR 37 -8.329 9.989 -1.785 305 HG1 THR 37 HG1 THR 37 -8.169 11.146 0.157 306 1HG2 THR 37 1HG2 THR 37 -7.230 12.749 -2.317 307 2HG2 THR 37 2HG2 THR 37 -6.814 11.267 -3.179 308 3HG2 THR 37 3HG2 THR 37 -6.362 11.460 -1.486 309 H TYR 38 H TYR 38 -11.960 11.995 -2.327 310 HA TYR 38 HA TYR 38 -12.959 9.585 -1.327 311 1HB TYR 38 2HB TYR 38 -14.038 11.732 -0.933 312 2HB TYR 38 1HB TYR 38 -14.388 11.903 -2.648 313 HD1 TYR 38 HD1 TYR 38 -15.128 9.781 0.311 314 HD2 TYR 38 HD2 TYR 38 -16.405 11.108 -3.522 315 HE1 TYR 38 HE1 TYR 38 -17.300 8.693 0.662 316 HE2 TYR 38 HE2 TYR 38 -18.584 10.019 -3.181 317 HH TYR 38 HH TYR 38 -19.594 8.857 -0.138 318 H HIS 39 H HIS 39 -12.722 10.763 -4.604 319 HA HIS 39 HA HIS 39 -14.891 9.442 -5.731 320 1HB HIS 39 2HB HIS 39 -12.309 10.279 -7.050 321 2HB HIS 39 1HB HIS 39 -13.783 9.832 -7.901 322 HD1 HIS 39 HD1 HIS 39 -12.107 12.651 -6.248 323 HD2 HIS 39 HD2 HIS 39 -15.949 11.704 -7.531 324 HE1 HIS 39 HE1 HIS 39 -13.366 14.821 -6.274 325 HE2 HIS 39 HE2 HIS 39 -15.616 14.256 -7.258 326 H ASP 40 H ASP 40 -11.499 8.492 -6.349 327 HA ASP 40 HA ASP 40 -12.420 6.030 -7.510 328 1HB ASP 40 2HB ASP 40 -9.614 7.014 -6.970 329 2HB ASP 40 1HB ASP 40 -10.035 5.620 -7.951 330 H ILE 41 H ILE 41 -10.982 7.002 -4.489 331 HA ILE 41 HA ILE 41 -10.077 4.380 -3.788 332 HB ILE 41 HB ILE 41 -10.396 6.782 -1.985 333 1HG1 ILE 41 2HG1 ILE 41 -8.067 5.908 -3.715 334 2HG1 ILE 41 1HG1 ILE 41 -9.057 7.342 -3.952 335 1HG2 ILE 41 1HG2 ILE 41 -10.067 4.708 -0.762 336 2HG2 ILE 41 2HG2 ILE 41 -8.612 5.700 -0.674 337 3HG2 ILE 41 3HG2 ILE 41 -8.671 4.315 -1.764 338 1HD1 ILE 41 1HD1 ILE 41 -7.177 6.807 -1.673 339 2HD1 ILE 41 2HD1 ILE 41 -8.242 8.204 -1.794 340 3HD1 ILE 41 3HD1 ILE 41 -6.963 7.967 -2.984 341 H ALA 42 H ALA 42 -13.072 6.062 -3.506 342 HA ALA 42 HA ALA 42 -14.138 4.368 -1.434 343 1HB ALA 42 1HB ALA 42 -15.530 6.187 -3.397 344 2HB ALA 42 2HB ALA 42 -15.049 6.595 -1.750 345 3HB ALA 42 3HB ALA 42 -16.300 5.384 -2.029 346 H VAL 43 H VAL 43 -13.462 3.989 -4.712 347 HA VAL 43 HA VAL 43 -15.590 2.048 -5.183 348 HB VAL 43 HB VAL 43 -13.410 2.989 -7.059 349 1HG1 VAL 43 1HG1 VAL 43 -14.858 2.040 -8.821 350 2HG1 VAL 43 2HG1 VAL 43 -15.913 1.387 -7.568 351 3HG1 VAL 43 3HG1 VAL 43 -14.251 0.817 -7.705 352 1HG2 VAL 43 1HG2 VAL 43 -15.155 4.352 -8.110 353 2HG2 VAL 43 2HG2 VAL 43 -14.889 4.819 -6.430 354 3HG2 VAL 43 3HG2 VAL 43 -16.295 3.846 -6.862 355 H LEU 44 H LEU 44 -12.094 2.233 -4.785 356 HA LEU 44 HA LEU 44 -11.775 -0.603 -5.283 357 1HB LEU 44 2HB LEU 44 -9.937 1.676 -4.764 358 2HB LEU 44 1HB LEU 44 -9.372 0.067 -4.359 359 HG LEU 44 HG LEU 44 -9.767 -0.651 -6.692 360 1HD1 LEU 44 1HD1 LEU 44 -10.189 1.044 -8.414 361 2HD1 LEU 44 2HD1 LEU 44 -10.442 2.253 -7.153 362 3HD1 LEU 44 3HD1 LEU 44 -11.545 0.879 -7.297 363 1HD2 LEU 44 1HD2 LEU 44 -7.568 0.146 -6.001 364 2HD2 LEU 44 2HD2 LEU 44 -8.026 1.795 -6.428 365 3HD2 LEU 44 3HD2 LEU 44 -7.904 0.560 -7.680 366 H LEU 45 H LEU 45 -11.983 -2.116 -3.804 367 HA LEU 45 HA LEU 45 -11.581 -1.454 -0.989 368 1HB LEU 45 2HB LEU 45 -14.006 -1.219 -1.689 369 2HB LEU 45 1HB LEU 45 -14.002 -2.933 -2.028 370 HG LEU 45 HG LEU 45 -13.266 -2.006 0.720 371 1HD1 LEU 45 1HD1 LEU 45 -16.082 -2.292 -0.322 372 2HD1 LEU 45 2HD1 LEU 45 -15.307 -0.774 0.131 373 3HD1 LEU 45 3HD1 LEU 45 -15.613 -2.007 1.355 374 1HD2 LEU 45 1HD2 LEU 45 -14.783 -4.395 -0.323 375 2HD2 LEU 45 2HD2 LEU 45 -14.303 -4.114 1.349 376 3HD2 LEU 45 3HD2 LEU 45 -13.075 -4.383 0.112 377 H TYR 46 H TYR 46 -9.715 -2.647 -1.059 378 HA TYR 46 HA TYR 46 -8.362 -4.448 -0.743 379 1HB TYR 46 2HB TYR 46 -10.916 -6.028 -0.419 380 2HB TYR 46 1HB TYR 46 -9.306 -6.536 0.067 381 HD1 TYR 46 HD2 TYR 46 -8.227 -4.290 1.494 382 HD2 TYR 46 HD1 TYR 46 -12.197 -5.770 1.384 383 HE1 TYR 46 HE2 TYR 46 -8.613 -3.351 3.737 384 HE2 TYR 46 HE1 TYR 46 -12.612 -4.838 3.638 385 HH TYR 46 HH TYR 46 -10.463 -2.653 5.148 386 H GLU 47 H GLU 47 -11.147 -5.954 -2.266 387 HA GLU 47 HA GLU 47 -11.428 -7.420 -3.883 388 1HB GLU 47 2HB GLU 47 -8.953 -6.137 -5.036 389 2HB GLU 47 1HB GLU 47 -9.815 -7.426 -5.857 390 1HG GLU 47 2HG GLU 47 -11.867 -5.918 -5.696 391 2HG GLU 47 1HG GLU 47 -10.732 -4.633 -5.274 392 H LYS 48 H LYS 48 -7.886 -7.581 -4.070 393 HA LYS 48 HA LYS 48 -7.657 -9.856 -2.417 394 1HB LYS 48 2HB LYS 48 -7.054 -11.483 -4.294 395 2HB LYS 48 1HB LYS 48 -8.760 -11.160 -4.022 396 1HG LYS 48 2HG LYS 48 -8.729 -9.571 -5.911 397 2HG LYS 48 1HG LYS 48 -7.041 -9.995 -6.208 398 1HD LYS 48 2HD LYS 48 -7.683 -12.314 -6.610 399 2HD LYS 48 1HD LYS 48 -9.369 -11.916 -6.273 400 1HE LYS 48 2HE LYS 48 -9.339 -10.337 -8.171 401 2HE LYS 48 1HE LYS 48 -7.684 -10.827 -8.529 402 1HZ LYS 48 1HZ LYS 48 -8.432 -13.042 -8.993 403 2HZ LYS 48 2HZ LYS 48 -9.360 -11.958 -9.910 404 3HZ LYS 48 3HZ LYS 48 -10.014 -12.667 -8.520 405 H THR 49 H THR 49 -5.953 -9.574 -5.506 406 HA THR 49 HA THR 49 -3.488 -9.429 -3.937 407 HB THR 49 HB THR 49 -2.442 -10.157 -6.146 408 HG1 THR 49 HG1 THR 49 -4.426 -9.538 -7.344 409 1HG2 THR 49 1HG2 THR 49 -4.467 -11.971 -4.827 410 2HG2 THR 49 2HG2 THR 49 -2.808 -11.707 -4.294 411 3HG2 THR 49 3HG2 THR 49 -3.122 -12.500 -5.839 412 H PHE 50 H PHE 50 -2.481 -7.558 -3.791 413 HA PHE 50 HA PHE 50 -2.595 -5.687 -6.058 414 1HB PHE 50 2HB PHE 50 -1.889 -5.262 -3.154 415 2HB PHE 50 1HB PHE 50 -1.543 -4.070 -4.399 416 HD1 PHE 50 HD1 PHE 50 -3.489 -3.151 -5.741 417 HD2 PHE 50 HD2 PHE 50 -3.965 -5.353 -2.132 418 HE1 PHE 50 HE1 PHE 50 -5.743 -2.201 -5.465 419 HE2 PHE 50 HE2 PHE 50 -6.215 -4.414 -1.850 420 HZ PHE 50 HZ PHE 50 -7.110 -2.834 -3.517 421 H ASN 51 H ASN 51 -0.889 -5.589 -7.341 422 HA ASN 51 HA ASN 51 1.603 -6.828 -6.633 423 1HB ASN 51 2HB ASN 51 0.720 -6.733 -8.981 424 2HB ASN 51 1HB ASN 51 1.017 -4.998 -8.976 425 1HD2 ASN 51 1HD2 ASN 51 2.457 -5.200 -10.704 426 2HD2 ASN 51 2HD2 ASN 51 4.052 -5.834 -10.489 427 H VAL 52 H VAL 52 2.464 -5.838 -4.888 428 HA VAL 52 HA VAL 52 2.524 -2.968 -4.644 429 HB VAL 52 HB VAL 52 3.863 -5.038 -2.890 430 1HG1 VAL 52 1HG1 VAL 52 3.917 -3.301 -1.203 431 2HG1 VAL 52 2HG1 VAL 52 3.133 -2.173 -2.309 432 3HG1 VAL 52 3HG1 VAL 52 4.758 -2.766 -2.659 433 1HG2 VAL 52 1HG2 VAL 52 1.155 -3.745 -2.616 434 2HG2 VAL 52 2HG2 VAL 52 1.925 -4.778 -1.412 435 3HG2 VAL 52 3HG2 VAL 52 1.474 -5.442 -2.984 436 H GLU 53 H GLU 53 3.822 -2.103 -6.158 437 HA GLU 53 HA GLU 53 6.643 -2.913 -6.085 438 1HB GLU 53 2HB GLU 53 5.272 -1.381 -8.299 439 2HB GLU 53 1HB GLU 53 6.892 -2.066 -8.323 440 1HG GLU 53 2HG GLU 53 5.910 -4.321 -8.190 441 2HG GLU 53 1HG GLU 53 4.303 -3.600 -8.264 442 H VAL 54 H VAL 54 7.629 -1.740 -4.739 443 HA VAL 54 HA VAL 54 7.013 1.120 -4.670 444 HB VAL 54 HB VAL 54 6.521 0.063 -2.559 445 1HG1 VAL 54 1HG1 VAL 54 8.219 -1.045 -1.206 446 2HG1 VAL 54 2HG1 VAL 54 9.355 -0.924 -2.548 447 3HG1 VAL 54 3HG1 VAL 54 7.900 -1.907 -2.712 448 1HG2 VAL 54 1HG2 VAL 54 7.428 2.287 -2.488 449 2HG2 VAL 54 2HG2 VAL 54 9.064 1.635 -2.429 450 3HG2 VAL 54 3HG2 VAL 54 7.958 1.362 -1.082 451 HA PRO 55 HA PRO 55 11.131 1.224 -6.574 452 1HB PRO 55 2HB PRO 55 10.932 3.827 -7.356 453 2HB PRO 55 1HB PRO 55 10.246 2.484 -8.277 454 1HG PRO 55 2HG PRO 55 8.897 4.369 -6.382 455 2HG PRO 55 1HG PRO 55 8.331 3.757 -7.949 456 1HD PRO 55 2HD PRO 55 7.457 2.751 -5.594 457 2HD PRO 55 1HD PRO 55 7.624 1.755 -7.052 458 H GLU 56 H GLU 56 9.678 3.032 -4.070 459 HA GLU 56 HA GLU 56 11.706 4.760 -3.263 460 1HB GLU 56 2HB GLU 56 9.353 4.678 -2.392 461 2HB GLU 56 1HB GLU 56 9.795 3.247 -1.472 462 1HG GLU 56 2HG GLU 56 9.848 5.137 -0.021 463 2HG GLU 56 1HG GLU 56 11.506 4.605 -0.297 464 H ARG 57 H ARG 57 11.108 1.376 -2.402 465 HA ARG 57 HA ARG 57 13.740 1.279 -1.085 466 1HB ARG 57 2HB ARG 57 11.373 -0.532 -0.600 467 2HB ARG 57 1HB ARG 57 12.838 -0.410 0.364 468 1HG ARG 57 2HG ARG 57 12.231 1.767 1.139 469 2HG ARG 57 1HG ARG 57 10.863 1.833 0.026 470 1HD ARG 57 2HD ARG 57 10.183 1.310 2.331 471 2HD ARG 57 1HD ARG 57 9.784 0.017 1.197 472 HE ARG 57 HE ARG 57 12.220 -0.692 2.155 473 1HH1 ARG 57 1HH1 ARG 57 9.157 0.105 3.656 474 2HH1 ARG 57 2HH1 ARG 57 9.430 -0.883 5.057 475 1HH2 ARG 57 1HH2 ARG 57 12.588 -1.992 3.993 476 2HH2 ARG 57 2HH2 ARG 57 11.375 -2.096 5.233 477 H ASP 58 H ASP 58 12.508 0.680 -3.906 478 HA ASP 58 HA ASP 58 12.470 -0.879 -5.543 479 1HB ASP 58 2HB ASP 58 14.894 -0.367 -5.442 480 2HB ASP 58 1HB ASP 58 15.112 -1.735 -4.350 481 H LEU 59 H LEU 59 10.658 -1.876 -4.463 482 HA LEU 59 HA LEU 59 11.248 -4.696 -3.903 483 1HB LEU 59 2HB LEU 59 10.536 -2.995 -1.894 484 2HB LEU 59 1HB LEU 59 8.962 -3.506 -2.455 485 HG LEU 59 HG LEU 59 11.138 -5.364 -1.491 486 1HD1 LEU 59 1HD1 LEU 59 10.247 -4.022 0.316 487 2HD1 LEU 59 2HD1 LEU 59 9.659 -5.680 0.448 488 3HD1 LEU 59 3HD1 LEU 59 8.600 -4.415 -0.174 489 1HD2 LEU 59 1HD2 LEU 59 8.261 -5.922 -2.207 490 2HD2 LEU 59 2HD2 LEU 59 9.417 -7.086 -1.558 491 3HD2 LEU 59 3HD2 LEU 59 9.664 -6.398 -3.164 492 H ALA 60 H ALA 60 10.294 -5.768 -5.503 493 HA ALA 60 HA ALA 60 7.677 -4.806 -6.463 494 1HB ALA 60 1HB ALA 60 9.774 -6.349 -7.992 495 2HB ALA 60 2HB ALA 60 9.389 -4.638 -8.189 496 3HB ALA 60 3HB ALA 60 8.196 -5.867 -8.612 497 H PHE 61 H PHE 61 6.397 -5.988 -5.080 498 HA PHE 61 HA PHE 61 6.466 -8.897 -5.415 499 1HB PHE 61 2HB PHE 61 7.812 -8.332 -3.407 500 2HB PHE 61 1HB PHE 61 6.403 -7.541 -2.717 501 HD1 PHE 61 HD2 PHE 61 7.797 -10.779 -3.770 502 HD2 PHE 61 HD1 PHE 61 4.705 -8.779 -1.644 503 HE1 PHE 61 HE2 PHE 61 7.097 -12.920 -2.787 504 HE2 PHE 61 HE1 PHE 61 3.998 -10.914 -0.654 505 HZ PHE 61 HZ PHE 61 5.191 -12.992 -1.227 506 H ARG 62 H ARG 62 4.502 -9.786 -5.458 507 HA ARG 62 HA ARG 62 2.226 -7.965 -5.183 508 1HB ARG 62 2HB ARG 62 2.477 -8.975 -7.373 509 2HB ARG 62 1HB ARG 62 2.514 -10.582 -6.665 510 1HG ARG 62 2HG ARG 62 0.203 -10.384 -5.998 511 2HG ARG 62 1HG ARG 62 0.150 -8.713 -6.570 512 1HD ARG 62 2HD ARG 62 -0.837 -10.401 -8.141 513 2HD ARG 62 1HD ARG 62 0.437 -9.398 -8.834 514 HE ARG 62 HE ARG 62 1.103 -12.060 -7.780 515 1HH1 ARG 62 1HH1 ARG 62 0.815 -9.859 -10.509 516 2HH1 ARG 62 2HH1 ARG 62 1.729 -10.889 -11.577 517 1HH2 ARG 62 1HH2 ARG 62 2.303 -13.380 -9.178 518 2HH2 ARG 62 2HH2 ARG 62 2.571 -12.888 -10.821 519 H GLY 63 H GLY 63 1.268 -8.056 -3.291 520 1HA GLY 63 2HA GLY 63 1.154 -10.625 -1.854 521 2HA GLY 63 1HA GLY 63 0.991 -9.039 -1.116 522 H GLU 64 H GLU 64 -0.930 -10.242 -0.176 523 HA GLU 64 HA GLU 64 -3.247 -9.767 -1.907 524 1HB GLU 64 2HB GLU 64 -4.291 -11.874 -1.146 525 2HB GLU 64 1HB GLU 64 -2.832 -12.149 -2.085 526 1HG GLU 64 2HG GLU 64 -1.586 -12.734 -0.173 527 2HG GLU 64 1HG GLU 64 -2.821 -12.108 0.915 528 H MET 65 H MET 65 -5.087 -9.126 -0.880 529 HA MET 65 HA MET 65 -4.915 -8.293 1.871 530 1HB MET 65 2HB MET 65 -7.189 -8.268 -0.126 531 2HB MET 65 1HB MET 65 -7.351 -7.697 1.529 532 1HG MET 65 2HG MET 65 -5.523 -6.576 -0.578 533 2HG MET 65 1HG MET 65 -7.011 -5.849 0.029 534 1HE MET 65 1HE MET 65 -7.286 -5.279 2.726 535 2HE MET 65 2HE MET 65 -5.921 -5.316 3.843 536 3HE MET 65 3HE MET 65 -6.553 -6.821 3.173 537 H THR 66 H THR 66 -5.013 -9.862 3.389 538 HA THR 66 HA THR 66 -6.335 -12.359 2.789 539 HB THR 66 HB THR 66 -5.431 -13.015 5.063 540 HG1 THR 66 HG1 THR 66 -3.630 -10.915 5.000 541 1HG2 THR 66 1HG2 THR 66 -4.285 -13.551 2.950 542 2HG2 THR 66 2HG2 THR 66 -3.142 -13.231 4.256 543 3HG2 THR 66 3HG2 THR 66 -3.443 -11.999 3.028 544 H ASN 67 H ASN 67 -7.281 -9.456 4.191 545 HA ASN 67 HA ASN 67 -9.588 -10.675 5.399 546 1HB ASN 67 2HB ASN 67 -9.239 -9.920 7.647 547 2HB ASN 67 1HB ASN 67 -7.825 -10.852 7.165 548 1HD2 ASN 67 1HD2 ASN 67 -5.891 -9.734 6.666 549 2HD2 ASN 67 2HD2 ASN 67 -5.600 -8.150 7.309 550 H TYR 68 H TYR 68 -11.001 -9.023 6.440 551 HA TYR 68 HA TYR 68 -10.730 -6.369 5.200 552 1HB TYR 68 2HB TYR 68 -13.242 -6.332 5.115 553 2HB TYR 68 1HB TYR 68 -12.518 -7.536 4.054 554 HD1 TYR 68 HD2 TYR 68 -12.611 -9.944 4.679 555 HD2 TYR 68 HD1 TYR 68 -14.685 -6.968 6.901 556 HE1 TYR 68 HE2 TYR 68 -13.993 -11.692 5.717 557 HE2 TYR 68 HE1 TYR 68 -16.072 -8.705 7.946 558 HH TYR 68 HH TYR 68 -15.299 -12.036 7.721 559 H SER 69 H SER 69 -10.909 -4.675 6.614 560 HA SER 69 HA SER 69 -12.004 -5.159 9.268 561 1HB SER 69 2HB SER 69 -9.113 -4.371 8.832 562 2HB SER 69 1HB SER 69 -9.935 -4.349 10.391 563 HG SER 69 HG SER 69 -8.997 -6.496 8.895 564 H THR 70 H THR 70 -13.175 -3.486 9.843 565 HA THR 70 HA THR 70 -12.682 -0.887 8.582 566 HB THR 70 HB THR 70 -14.930 -0.274 9.543 567 HG1 THR 70 HG1 THR 70 -14.819 -3.005 10.329 568 1HG2 THR 70 1HG2 THR 70 -14.695 -0.976 7.217 569 2HG2 THR 70 2HG2 THR 70 -16.214 -1.560 7.894 570 3HG2 THR 70 3HG2 THR 70 -14.853 -2.665 7.700 571 H SER 71 H SER 71 -10.961 -0.119 9.793 572 HA SER 71 HA SER 71 -11.236 0.005 12.683 573 1HB SER 71 2HB SER 71 -8.967 0.880 10.903 574 2HB SER 71 1HB SER 71 -8.940 0.854 12.669 575 HG SER 71 HG SER 71 -9.583 -1.486 12.311 576 H LEU 72 H LEU 72 -11.511 2.082 9.910 577 HA LEU 72 HA LEU 72 -12.398 4.247 11.665 578 1HB LEU 72 2HB LEU 72 -9.920 4.493 10.894 579 2HB LEU 72 1HB LEU 72 -10.609 4.879 9.331 580 HG LEU 72 HG LEU 72 -9.986 6.876 10.647 581 1HD1 LEU 72 1HD1 LEU 72 -12.063 8.126 10.343 582 2HD1 LEU 72 2HD1 LEU 72 -12.940 6.611 10.131 583 3HD1 LEU 72 3HD1 LEU 72 -11.711 7.089 8.961 584 1HD2 LEU 72 1HD2 LEU 72 -12.164 5.957 12.517 585 2HD2 LEU 72 2HD2 LEU 72 -11.342 7.516 12.583 586 3HD2 LEU 72 3HD2 LEU 72 -10.438 6.032 12.872 587 H THR 73 H THR 73 -11.755 3.822 8.181 588 HA THR 73 HA THR 73 -14.203 4.971 7.363 589 HB THR 73 HB THR 73 -13.586 3.526 5.202 590 HG1 THR 73 HG1 THR 73 -11.020 3.840 6.349 591 1HG2 THR 73 1HG2 THR 73 -12.145 5.981 6.201 592 2HG2 THR 73 2HG2 THR 73 -13.557 5.916 5.147 593 3HG2 THR 73 3HG2 THR 73 -11.990 5.373 4.554 594 H ASN 74 H ASN 74 -16.032 3.950 6.416 595 HA ASN 74 HA ASN 74 -16.723 1.456 7.741 596 1HB ASN 74 2HB ASN 74 -19.004 1.919 7.057 597 2HB ASN 74 1HB ASN 74 -18.307 3.375 7.760 598 1HD2 ASN 74 1HD2 ASN 74 -20.575 3.237 6.056 599 2HD2 ASN 74 2HD2 ASN 74 -20.196 4.141 4.629 600 H LEU 75 H LEU 75 -15.372 2.396 4.878 601 HA LEU 75 HA LEU 75 -15.181 1.588 2.773 602 1HB LEU 75 2HB LEU 75 -15.207 -0.911 4.435 603 2HB LEU 75 1HB LEU 75 -14.932 -0.956 2.703 604 HG LEU 75 HG LEU 75 -13.063 0.816 3.291 605 1HD1 LEU 75 1HD1 LEU 75 -13.599 1.000 5.646 606 2HD1 LEU 75 2HD1 LEU 75 -11.989 0.318 5.426 607 3HD1 LEU 75 3HD1 LEU 75 -13.338 -0.731 5.858 608 1HD2 LEU 75 1HD2 LEU 75 -11.453 -1.016 3.451 609 2HD2 LEU 75 2HD2 LEU 75 -12.674 -1.321 2.214 610 3HD2 LEU 75 3HD2 LEU 75 -12.771 -2.142 3.772 611 H TYR 76 H TYR 76 -17.400 2.497 2.559 612 HA TYR 76 HA TYR 76 -18.957 0.770 0.940 613 1HB TYR 76 2HB TYR 76 -19.779 0.006 3.140 614 2HB TYR 76 1HB TYR 76 -20.198 1.664 3.558 615 HD1 TYR 76 HD2 TYR 76 -20.975 -1.081 1.179 616 HD2 TYR 76 HD1 TYR 76 -22.291 2.557 2.950 617 HE1 TYR 76 HE2 TYR 76 -23.203 -1.410 0.190 618 HE2 TYR 76 HE1 TYR 76 -24.518 2.235 1.966 619 HH TYR 76 HH TYR 76 -25.530 1.045 0.058 620 H GLU 77 H GLU 77 -19.042 3.661 2.963 621 HA GLU 77 HA GLU 77 -19.101 5.391 0.702 622 1HB GLU 77 2HB GLU 77 -21.505 4.707 0.845 623 2HB GLU 77 1HB GLU 77 -21.562 5.398 2.463 624 1HG GLU 77 2HG GLU 77 -20.903 7.586 1.468 625 2HG GLU 77 1HG GLU 77 -21.069 6.848 -0.124 626 HA PRO 78 HA PRO 78 -17.162 7.298 4.381 627 1HB PRO 78 2HB PRO 78 -15.407 8.513 2.379 628 2HB PRO 78 1HB PRO 78 -14.993 7.459 3.733 629 1HG PRO 78 2HG PRO 78 -14.815 6.642 1.165 630 2HG PRO 78 1HG PRO 78 -15.232 5.538 2.488 631 1HD PRO 78 2HD PRO 78 -17.035 6.878 0.501 632 2HD PRO 78 1HD PRO 78 -17.059 5.201 1.091 633 H GLY 79 H GLY 79 -16.343 9.746 4.487 634 1HA GLY 79 2HA GLY 79 -18.294 11.410 3.028 635 2HA GLY 79 1HA GLY 79 -18.084 11.577 4.765 636 H ALA 80 H ALA 80 -15.985 12.251 5.548 637 HA ALA 80 HA ALA 80 -14.160 13.449 3.635 638 1HB ALA 80 1HB ALA 80 -14.265 15.674 4.606 639 2HB ALA 80 2HB ALA 80 -15.529 15.152 5.717 640 3HB ALA 80 3HB ALA 80 -15.850 15.211 3.985 641 H VAL 81 H VAL 81 -12.110 13.497 4.411 642 HA VAL 81 HA VAL 81 -10.325 12.887 5.695 643 HB VAL 81 HB VAL 81 -11.893 13.546 8.172 644 1HG1 VAL 81 1HG1 VAL 81 -9.719 14.403 8.944 645 2HG1 VAL 81 2HG1 VAL 81 -9.002 13.940 7.401 646 3HG1 VAL 81 3HG1 VAL 81 -9.639 12.702 8.482 647 1HG2 VAL 81 1HG2 VAL 81 -12.418 15.313 6.645 648 2HG2 VAL 81 2HG2 VAL 81 -10.714 15.525 6.245 649 3HG2 VAL 81 3HG2 VAL 81 -11.295 15.906 7.866 650 H SER 82 H SER 82 -11.714 10.811 4.883 651 HA SER 82 HA SER 82 -12.290 9.218 7.246 652 1HB SER 82 2HB SER 82 -12.986 8.698 4.341 653 2HB SER 82 1HB SER 82 -13.487 7.697 5.700 654 HG SER 82 HG SER 82 -14.376 9.871 6.489 655 H GLU 83 H GLU 83 -10.510 8.199 7.944 656 HA GLU 83 HA GLU 83 -8.323 7.532 6.285 657 1HB GLU 83 2HB GLU 83 -9.062 6.850 9.111 658 2HB GLU 83 1HB GLU 83 -7.636 6.154 8.355 659 1HG GLU 83 2HG GLU 83 -6.982 8.067 9.622 660 2HG GLU 83 1HG GLU 83 -6.808 8.433 7.909 661 H PHE 84 H PHE 84 -8.442 6.060 4.744 662 HA PHE 84 HA PHE 84 -10.132 3.742 4.943 663 1HB PHE 84 2HB PHE 84 -8.945 5.163 2.841 664 2HB PHE 84 1HB PHE 84 -8.180 3.577 2.812 665 HD1 PHE 84 HD1 PHE 84 -11.479 5.234 2.912 666 HD2 PHE 84 HD2 PHE 84 -9.286 1.759 1.841 667 HE1 PHE 84 HE1 PHE 84 -13.479 4.336 1.824 668 HE2 PHE 84 HE2 PHE 84 -11.284 0.840 0.731 669 HZ PHE 84 HZ PHE 84 -13.388 2.127 0.723 670 H TYR 85 H TYR 85 -9.369 1.555 4.789 671 HA TYR 85 HA TYR 85 -6.855 1.220 6.284 672 1HB TYR 85 2HB TYR 85 -9.002 1.014 7.618 673 2HB TYR 85 1HB TYR 85 -9.376 -0.404 6.648 674 HD1 TYR 85 HD2 TYR 85 -7.990 -2.458 6.872 675 HD2 TYR 85 HD1 TYR 85 -7.418 0.930 9.384 676 HE1 TYR 85 HE2 TYR 85 -6.748 -3.853 8.469 677 HE2 TYR 85 HE1 TYR 85 -6.195 -0.459 10.991 678 HH TYR 85 HH TYR 85 -5.152 -3.659 10.230 679 H ILE 86 H ILE 86 -5.528 0.393 4.709 680 HA ILE 86 HA ILE 86 -6.438 -2.122 3.424 681 HB ILE 86 HB ILE 86 -4.386 -0.284 2.196 682 1HG1 ILE 86 2HG1 ILE 86 -6.546 0.939 2.377 683 2HG1 ILE 86 1HG1 ILE 86 -6.084 0.609 0.712 684 1HG2 ILE 86 1HG2 ILE 86 -4.400 -2.626 1.492 685 2HG2 ILE 86 2HG2 ILE 86 -4.897 -1.561 0.176 686 3HG2 ILE 86 3HG2 ILE 86 -6.107 -2.490 1.063 687 1HD1 ILE 86 1HD1 ILE 86 -8.456 0.263 1.050 688 2HD1 ILE 86 2HD1 ILE 86 -8.114 -0.918 2.315 689 3HD1 ILE 86 3HD1 ILE 86 -7.653 -1.256 0.647 690 H GLU 87 H GLU 87 -5.407 -3.633 4.702 691 HA GLU 87 HA GLU 87 -2.520 -3.251 5.081 692 1HB GLU 87 2HB GLU 87 -2.691 -4.911 6.935 693 2HB GLU 87 1HB GLU 87 -3.523 -3.394 7.232 694 1HG GLU 87 2HG GLU 87 -5.639 -4.385 6.934 695 2HG GLU 87 1HG GLU 87 -4.937 -5.842 6.228 696 H ILE 88 H ILE 88 -1.645 -4.136 3.349 697 HA ILE 88 HA ILE 88 -2.649 -6.658 2.305 698 HB ILE 88 HB ILE 88 -0.283 -5.045 1.347 699 1HG1 ILE 88 2HG1 ILE 88 -3.179 -4.935 0.487 700 2HG1 ILE 88 1HG1 ILE 88 -2.294 -3.662 1.320 701 1HG2 ILE 88 1HG2 ILE 88 -0.624 -6.245 -0.750 702 2HG2 ILE 88 2HG2 ILE 88 -1.977 -7.123 -0.036 703 3HG2 ILE 88 3HG2 ILE 88 -0.343 -7.371 0.579 704 1HD1 ILE 88 1HD1 ILE 88 -2.482 -3.124 -0.996 705 2HD1 ILE 88 2HD1 ILE 88 -1.807 -4.685 -1.455 706 3HD1 ILE 88 3HD1 ILE 88 -0.797 -3.495 -0.631 707 H THR 89 H THR 89 -1.948 -8.502 2.956 708 HA THR 89 HA THR 89 0.572 -8.712 4.398 709 HB THR 89 HB THR 89 -0.389 -11.175 4.590 710 HG1 THR 89 HG1 THR 89 -2.158 -10.483 3.103 711 1HG2 THR 89 1HG2 THR 89 -1.539 -8.823 6.101 712 2HG2 THR 89 2HG2 THR 89 -0.035 -9.663 6.480 713 3HG2 THR 89 3HG2 THR 89 -1.577 -10.505 6.633 714 H GLU 90 H GLU 90 2.156 -10.224 3.845 715 HA GLU 90 HA GLU 90 2.808 -10.664 1.199 716 1HB GLU 90 2HB GLU 90 4.285 -10.925 3.224 717 2HB GLU 90 1HB GLU 90 3.513 -12.475 3.512 718 1HG GLU 90 2HG GLU 90 4.404 -13.389 1.519 719 2HG GLU 90 1HG GLU 90 4.956 -11.807 0.966 720 H ILE 91 H ILE 91 2.430 -12.297 -0.255 721 HA ILE 91 HA ILE 91 -0.162 -13.295 -0.272 722 HB ILE 91 HB ILE 91 1.073 -12.833 -2.313 723 1HG1 ILE 91 2HG1 ILE 91 0.245 -15.736 -2.080 724 2HG1 ILE 91 1HG1 ILE 91 -0.815 -14.378 -2.444 725 1HG2 ILE 91 1HG2 ILE 91 3.285 -13.548 -1.645 726 2HG2 ILE 91 2HG2 ILE 91 2.809 -14.376 -3.128 727 3HG2 ILE 91 3HG2 ILE 91 2.751 -15.229 -1.585 728 1HD1 ILE 91 1HD1 ILE 91 -0.272 -15.656 -4.436 729 2HD1 ILE 91 2HD1 ILE 91 1.447 -15.356 -4.169 730 3HD1 ILE 91 3HD1 ILE 91 0.363 -14.014 -4.541 731 H ASP 92 H ASP 92 -1.105 -15.219 0.092 732 HA ASP 92 HA ASP 92 0.570 -17.385 1.184 733 1HB ASP 92 2HB ASP 92 -2.220 -16.509 1.973 734 2HB ASP 92 1HB ASP 92 -1.558 -18.073 2.422 735 H LYS 93 H LYS 93 -1.752 -19.188 1.206 736 HA LYS 93 HA LYS 93 -1.735 -19.859 -1.633 737 1HB LYS 93 2HB LYS 93 -2.743 -21.471 0.712 738 2HB LYS 93 1HB LYS 93 -2.471 -22.061 -0.923 739 1HG LYS 93 2HG LYS 93 -0.101 -21.795 -0.695 740 2HG LYS 93 1HG LYS 93 -0.294 -20.988 0.861 741 1HD LYS 93 2HD LYS 93 -1.350 -23.102 1.715 742 2HD LYS 93 1HD LYS 93 -0.873 -23.870 0.200 743 1HE LYS 93 2HE LYS 93 1.454 -23.450 0.660 744 2HE LYS 93 1HE LYS 93 1.041 -22.517 2.097 745 1HZ LYS 93 1HZ LYS 93 1.704 -24.668 2.798 746 2HZ LYS 93 2HZ LYS 93 0.679 -25.434 1.684 747 3HZ LYS 93 3HZ LYS 93 0.020 -24.587 2.999 748 H ASN 94 H ASN 94 -3.392 -17.811 -0.156 749 HA ASN 94 HA ASN 94 -6.120 -18.742 -0.404 750 1HB ASN 94 2HB ASN 94 -5.117 -15.939 0.125 751 2HB ASN 94 1HB ASN 94 -6.724 -16.568 0.441 752 1HD2 ASN 94 1HD2 ASN 94 -4.584 -15.328 2.093 753 2HD2 ASN 94 2HD2 ASN 94 -4.396 -16.407 3.448 754 H ALA 95 H ALA 95 -3.873 -16.605 -2.029 755 HA ALA 95 HA ALA 95 -5.500 -15.154 -3.686 756 1HB ALA 95 1HB ALA 95 -3.094 -14.789 -3.414 757 2HB ALA 95 2HB ALA 95 -3.569 -14.838 -5.112 758 3HB ALA 95 3HB ALA 95 -2.775 -16.231 -4.377 759 H ASP 96 H ASP 96 -4.383 -18.471 -4.178 760 HA ASP 96 HA ASP 96 -6.007 -18.523 -6.623 761 1HB ASP 96 2HB ASP 96 -3.669 -18.914 -7.150 762 2HB ASP 96 1HB ASP 96 -3.595 -20.229 -5.986 763 H SER 97 H SER 97 -6.927 -20.558 -7.163 764 HA SER 97 HA SER 97 -7.542 -22.662 -5.535 765 1HB SER 97 2HB SER 97 -8.456 -20.951 -3.955 766 2HB SER 97 1HB SER 97 -9.557 -20.409 -5.218 767 HG SER 97 HG SER 97 -10.310 -22.675 -5.233 768 H LEU 98 H LEU 98 -7.285 -21.249 -8.178 769 HA LEU 98 HA LEU 98 -8.133 -21.174 -10.263 770 1HB LEU 98 2HB LEU 98 -7.837 -23.602 -9.808 771 2HB LEU 98 1HB LEU 98 -9.536 -23.687 -9.394 772 HG LEU 98 HG LEU 98 -10.115 -22.976 -11.700 773 1HD1 LEU 98 1HD1 LEU 98 -8.091 -21.737 -12.230 774 2HD1 LEU 98 2HD1 LEU 98 -8.371 -23.003 -13.425 775 3HD1 LEU 98 3HD1 LEU 98 -7.147 -23.225 -12.177 776 1HD2 LEU 98 1HD2 LEU 98 -9.517 -25.091 -12.787 777 2HD2 LEU 98 2HD2 LEU 98 -10.064 -25.343 -11.130 778 3HD2 LEU 98 3HD2 LEU 98 -8.342 -25.410 -11.511 779 H GLU 99 H GLU 99 -9.314 -19.289 -9.283 780 HA GLU 99 HA GLU 99 -11.965 -19.441 -8.417 781 1HB GLU 99 2HB GLU 99 -12.061 -17.004 -8.936 782 2HB GLU 99 1HB GLU 99 -10.683 -17.474 -7.955 783 1HG GLU 99 2HG GLU 99 -9.260 -17.420 -9.951 784 2HG GLU 99 1HG GLU 99 -10.644 -16.898 -10.908 785 H HIS 100 H HIS 100 -13.894 -19.382 -9.373 786 HA HIS 100 HA HIS 100 -15.492 -19.678 -10.948 787 1HB HIS 100 2HB HIS 100 -13.669 -18.188 -12.847 788 2HB HIS 100 1HB HIS 100 -15.404 -18.414 -13.009 789 HD1 HIS 100 HD1 HIS 100 -16.732 -17.332 -10.724 790 HD2 HIS 100 HD2 HIS 100 -13.073 -15.748 -11.918 791 HE1 HIS 100 HE1 HIS 100 -16.616 -15.040 -9.700 792 HE2 HIS 100 HE2 HIS 100 -14.307 -14.190 -10.265 793 H HIS 101 H HIS 101 -14.771 -21.941 -10.737 794 HA HIS 101 HA HIS 101 -13.022 -23.225 -12.490 795 1HB HIS 101 2HB HIS 101 -14.136 -24.164 -10.396 796 2HB HIS 101 1HB HIS 101 -15.551 -24.460 -11.397 797 HD1 HIS 101 HD1 HIS 101 -15.511 -26.974 -11.405 798 HD2 HIS 101 HD2 HIS 101 -11.864 -25.296 -12.510 799 HE1 HIS 101 HE1 HIS 101 -14.085 -28.894 -12.195 800 HE2 HIS 101 HE2 HIS 101 -11.833 -27.879 -12.709 801 H HIS 102 H HIS 102 -16.527 -22.732 -12.735 802 HA HIS 102 HA HIS 102 -16.268 -23.034 -15.655 803 1HB HIS 102 2HB HIS 102 -18.689 -23.113 -13.840 804 2HB HIS 102 1HB HIS 102 -18.830 -22.939 -15.586 805 HD1 HIS 102 HD1 HIS 102 -19.818 -25.166 -16.213 806 HD2 HIS 102 HD2 HIS 102 -16.473 -25.534 -13.756 807 HE1 HIS 102 HE1 HIS 102 -19.293 -27.623 -16.136 808 HE2 HIS 102 HE2 HIS 102 -17.240 -27.826 -14.686 809 H HIS 103 H HIS 103 -17.091 -21.309 -16.984 810 HA HIS 103 HA HIS 103 -16.300 -18.779 -16.017 811 1HB HIS 103 2HB HIS 103 -16.151 -19.411 -18.397 812 2HB HIS 103 1HB HIS 103 -17.908 -19.412 -18.500 813 HD1 HIS 103 HD1 HIS 103 -18.706 -17.383 -19.647 814 HD2 HIS 103 HD2 HIS 103 -15.339 -16.607 -17.323 815 HE1 HIS 103 HE1 HIS 103 -18.248 -14.922 -19.908 816 HE2 HIS 103 HE2 HIS 103 -16.096 -14.526 -18.666 817 H HIS 104 H HIS 104 -19.531 -19.412 -17.401 818 HA HIS 104 HA HIS 104 -21.075 -18.850 -15.172 819 1HB HIS 104 2HB HIS 104 -19.869 -16.584 -15.416 820 2HB HIS 104 1HB HIS 104 -20.862 -16.351 -16.852 821 HD1 HIS 104 HD1 HIS 104 -23.322 -15.748 -16.505 822 HD2 HIS 104 HD2 HIS 104 -21.285 -16.569 -12.969 823 HE1 HIS 104 HE1 HIS 104 -24.869 -15.041 -14.643 824 HE2 HIS 104 HE2 HIS 104 -23.557 -15.426 -12.520 825 H HIS 105 H HIS 105 -23.155 -19.297 -15.648 826 HA HIS 105 HA HIS 105 -24.208 -18.650 -18.274 827 1HB HIS 105 2HB HIS 105 -23.254 -20.989 -18.456 828 2HB HIS 105 1HB HIS 105 -24.439 -21.489 -17.252 829 HD1 HIS 105 HD1 HIS 105 -26.617 -22.282 -18.169 830 HD2 HIS 105 HD2 HIS 105 -24.575 -19.834 -20.846 831 HE1 HIS 105 HE1 HIS 105 -27.987 -22.286 -20.279 832 HE2 HIS 105 HE2 HIS 105 -26.692 -20.872 -21.918 Start of MODEL 4 1 1H MET 1 1H MET 1 10.218 4.311 4.594 2 2H MET 1 2H MET 1 10.800 5.499 5.652 3 3H MET 1 3H MET 1 10.892 5.744 3.975 4 HA MET 1 HA MET 1 8.444 5.615 5.638 5 1HB MET 1 2HB MET 1 9.660 7.733 5.788 6 2HB MET 1 1HB MET 1 9.711 7.851 4.035 7 1HG MET 1 2HG MET 1 7.258 8.014 3.997 8 2HG MET 1 1HG MET 1 7.244 7.953 5.759 9 1HE MET 1 1HE MET 1 8.305 9.834 7.311 10 2HE MET 1 2HE MET 1 9.127 11.267 6.689 11 3HE MET 1 3HE MET 1 9.842 9.670 6.461 12 H VAL 2 H VAL 2 9.878 5.208 2.528 13 HA VAL 2 HA VAL 2 9.081 4.582 0.523 14 HB VAL 2 HB VAL 2 6.479 4.019 1.956 15 1HG1 VAL 2 1HG1 VAL 2 5.992 2.547 0.059 16 2HG1 VAL 2 2HG1 VAL 2 7.484 3.064 -0.726 17 3HG1 VAL 2 3HG1 VAL 2 6.180 4.223 -0.462 18 1HG2 VAL 2 1HG2 VAL 2 8.369 2.775 2.884 19 2HG2 VAL 2 2HG2 VAL 2 8.783 2.191 1.272 20 3HG2 VAL 2 3HG2 VAL 2 7.264 1.703 2.025 21 H LYS 3 H LYS 3 9.374 6.713 -0.165 22 HA LYS 3 HA LYS 3 7.117 8.517 -0.179 23 1HB LYS 3 2HB LYS 3 8.634 9.956 -1.574 24 2HB LYS 3 1HB LYS 3 9.268 9.536 0.013 25 1HG LYS 3 2HG LYS 3 10.678 7.832 -0.977 26 2HG LYS 3 1HG LYS 3 10.010 8.177 -2.571 27 1HD LYS 3 2HD LYS 3 12.161 9.243 -2.367 28 2HD LYS 3 1HD LYS 3 10.906 10.480 -2.400 29 1HE LYS 3 2HE LYS 3 11.983 9.433 0.198 30 2HE LYS 3 1HE LYS 3 12.828 10.699 -0.686 31 1HZ LYS 3 1HZ LYS 3 11.446 11.796 0.833 32 2HZ LYS 3 2HZ LYS 3 10.116 10.802 0.502 33 3HZ LYS 3 3HZ LYS 3 10.640 11.930 -0.651 34 H THR 4 H THR 4 8.648 6.307 -2.417 35 HA THR 4 HA THR 4 6.558 6.981 -4.369 36 HB THR 4 HB THR 4 9.216 5.658 -4.948 37 HG1 THR 4 HG1 THR 4 8.551 8.251 -4.576 38 1HG2 THR 4 1HG2 THR 4 7.451 5.041 -6.527 39 2HG2 THR 4 2HG2 THR 4 8.631 6.106 -7.294 40 3HG2 THR 4 3HG2 THR 4 7.069 6.741 -6.777 41 H LEU 5 H LEU 5 4.955 5.626 -3.750 42 HA LEU 5 HA LEU 5 5.540 2.746 -4.009 43 1HB LEU 5 2HB LEU 5 4.792 3.347 -1.739 44 2HB LEU 5 1HB LEU 5 3.349 4.082 -2.411 45 HG LEU 5 HG LEU 5 2.683 1.840 -3.285 46 1HD1 LEU 5 1HD1 LEU 5 4.988 0.885 -1.593 47 2HD1 LEU 5 2HD1 LEU 5 4.889 0.812 -3.352 48 3HD1 LEU 5 3HD1 LEU 5 3.778 -0.138 -2.368 49 1HD2 LEU 5 1HD2 LEU 5 1.923 0.994 -1.146 50 2HD2 LEU 5 2HD2 LEU 5 1.782 2.752 -1.201 51 3HD2 LEU 5 3HD2 LEU 5 3.105 2.000 -0.307 52 H ARG 6 H ARG 6 4.343 1.609 -5.475 53 HA ARG 6 HA ARG 6 1.965 2.893 -6.582 54 1HB ARG 6 2HB ARG 6 2.668 2.060 -8.883 55 2HB ARG 6 1HB ARG 6 3.496 3.479 -8.263 56 1HG ARG 6 2HG ARG 6 5.443 2.196 -7.734 57 2HG ARG 6 1HG ARG 6 4.604 0.689 -8.118 58 1HD ARG 6 2HD ARG 6 4.547 1.180 -10.415 59 2HD ARG 6 1HD ARG 6 4.941 2.877 -10.148 60 HE ARG 6 HE ARG 6 7.196 2.218 -9.642 61 1HH1 ARG 6 1HH1 ARG 6 5.177 -0.305 -11.015 62 2HH1 ARG 6 2HH1 ARG 6 6.523 -1.226 -11.608 63 1HH2 ARG 6 1HH2 ARG 6 8.966 0.995 -10.439 64 2HH2 ARG 6 2HH2 ARG 6 8.661 -0.507 -11.275 65 H LEU 7 H LEU 7 0.340 1.551 -7.115 66 HA LEU 7 HA LEU 7 0.781 -1.315 -6.597 67 1HB LEU 7 2HB LEU 7 -1.788 0.263 -6.392 68 2HB LEU 7 1HB LEU 7 -1.588 -1.440 -6.017 69 HG LEU 7 HG LEU 7 -0.276 0.836 -4.519 70 1HD1 LEU 7 1HD1 LEU 7 -1.808 0.236 -2.706 71 2HD1 LEU 7 2HD1 LEU 7 -2.590 -0.942 -3.759 72 3HD1 LEU 7 3HD1 LEU 7 -2.677 0.777 -4.143 73 1HD2 LEU 7 1HD2 LEU 7 -0.317 -2.133 -3.984 74 2HD2 LEU 7 2HD2 LEU 7 0.336 -0.908 -2.899 75 3HD2 LEU 7 3HD2 LEU 7 1.081 -1.177 -4.475 76 H ASN 8 H ASN 8 1.087 -2.256 -8.482 77 HA ASN 8 HA ASN 8 0.867 -2.906 -10.645 78 1HB ASN 8 2HB ASN 8 -1.406 -3.573 -9.771 79 2HB ASN 8 1HB ASN 8 -2.027 -2.049 -10.390 80 1HD2 ASN 8 1HD2 ASN 8 -2.193 -1.747 -12.621 81 2HD2 ASN 8 2HD2 ASN 8 -2.120 -3.072 -13.736 82 H ASN 9 H ASN 9 2.203 -0.834 -10.793 83 HA ASN 9 HA ASN 9 2.905 0.780 -12.217 84 1HB ASN 9 2HB ASN 9 1.857 -0.499 -14.008 85 2HB ASN 9 1HB ASN 9 0.308 0.267 -13.680 86 1HD2 ASN 9 1HD2 ASN 9 -0.065 2.335 -14.387 87 2HD2 ASN 9 2HD2 ASN 9 0.991 3.175 -15.471 88 H VAL 10 H VAL 10 -0.166 1.100 -10.654 89 HA VAL 10 HA VAL 10 -0.403 3.926 -11.269 90 HB VAL 10 HB VAL 10 -2.104 2.215 -9.443 91 1HG1 VAL 10 1HG1 VAL 10 -2.237 4.607 -8.938 92 2HG1 VAL 10 2HG1 VAL 10 -3.748 4.007 -9.622 93 3HG1 VAL 10 3HG1 VAL 10 -2.634 4.940 -10.622 94 1HG2 VAL 10 1HG2 VAL 10 -2.170 1.422 -11.759 95 2HG2 VAL 10 2HG2 VAL 10 -2.589 3.048 -12.303 96 3HG2 VAL 10 3HG2 VAL 10 -3.707 2.145 -11.280 97 H THR 11 H THR 11 0.805 5.305 -10.180 98 HA THR 11 HA THR 11 2.105 4.669 -7.760 99 HB THR 11 HB THR 11 3.066 6.261 -9.358 100 HG1 THR 11 HG1 THR 11 3.644 7.886 -7.816 101 1HG2 THR 11 1HG2 THR 11 0.779 8.066 -8.571 102 2HG2 THR 11 2HG2 THR 11 1.034 7.326 -10.153 103 3HG2 THR 11 3HG2 THR 11 2.164 8.541 -9.555 104 H LEU 12 H LEU 12 1.786 5.571 -5.665 105 HA LEU 12 HA LEU 12 -0.866 6.695 -5.137 106 1HB LEU 12 2HB LEU 12 -0.946 4.177 -5.037 107 2HB LEU 12 1HB LEU 12 0.194 4.256 -3.708 108 HG LEU 12 HG LEU 12 -1.485 5.619 -2.441 109 1HD1 LEU 12 1HD1 LEU 12 -2.761 6.459 -4.326 110 2HD1 LEU 12 2HD1 LEU 12 -3.808 5.562 -3.223 111 3HD1 LEU 12 3HD1 LEU 12 -3.273 4.821 -4.732 112 1HD2 LEU 12 1HD2 LEU 12 -2.303 2.859 -3.338 113 2HD2 LEU 12 2HD2 LEU 12 -2.937 3.698 -1.921 114 3HD2 LEU 12 3HD2 LEU 12 -1.230 3.258 -1.996 115 H GLU 13 H GLU 13 -1.061 7.546 -2.963 116 HA GLU 13 HA GLU 13 1.497 7.959 -1.580 117 1HB GLU 13 2HB GLU 13 -0.723 9.999 -1.856 118 2HB GLU 13 1HB GLU 13 0.770 10.215 -0.952 119 1HG GLU 13 2HG GLU 13 1.976 9.836 -3.153 120 2HG GLU 13 1HG GLU 13 0.400 10.025 -3.922 121 H MET 14 H MET 14 1.291 8.276 0.733 122 HA MET 14 HA MET 14 -1.181 7.144 1.834 123 1HB MET 14 2HB MET 14 1.613 6.330 2.674 124 2HB MET 14 1HB MET 14 0.110 5.754 3.375 125 1HG MET 14 2HG MET 14 0.846 4.024 1.992 126 2HG MET 14 1HG MET 14 -0.432 4.819 1.079 127 1HE MET 14 1HE MET 14 3.090 6.391 1.586 128 2HE MET 14 2HE MET 14 4.023 5.682 0.265 129 3HE MET 14 3HE MET 14 3.476 4.670 1.602 130 H ALA 15 H ALA 15 -1.705 7.868 3.854 131 HA ALA 15 HA ALA 15 -0.261 10.257 4.728 132 1HB ALA 15 1HB ALA 15 -2.660 10.455 4.307 133 2HB ALA 15 2HB ALA 15 -2.268 10.777 5.997 134 3HB ALA 15 3HB ALA 15 -2.975 9.227 5.533 135 H ALA 16 H ALA 16 -1.730 7.315 6.061 136 HA ALA 16 HA ALA 16 0.352 7.355 8.139 137 1HB ALA 16 1HB ALA 16 -2.377 6.080 8.340 138 2HB ALA 16 2HB ALA 16 -1.912 7.614 9.074 139 3HB ALA 16 3HB ALA 16 -1.140 6.116 9.596 140 H TYR 17 H TYR 17 1.808 6.282 6.831 141 HA TYR 17 HA TYR 17 1.185 3.725 5.677 142 1HB TYR 17 2HB TYR 17 2.848 5.306 4.705 143 2HB TYR 17 1HB TYR 17 3.876 5.040 6.106 144 HD1 TYR 17 HD1 TYR 17 2.307 3.316 3.220 145 HD2 TYR 17 HD2 TYR 17 5.390 3.243 6.150 146 HE1 TYR 17 HE1 TYR 17 3.352 1.419 2.061 147 HE2 TYR 17 HE2 TYR 17 6.443 1.341 5.002 148 HH TYR 17 HH TYR 17 5.873 -0.445 3.454 149 H GLN 18 H GLN 18 0.652 2.218 7.170 150 HA GLN 18 HA GLN 18 2.478 1.769 9.430 151 1HB GLN 18 2HB GLN 18 0.181 2.050 10.110 152 2HB GLN 18 1HB GLN 18 -0.367 0.885 8.913 153 1HG GLN 18 2HG GLN 18 1.102 -0.796 10.190 154 2HG GLN 18 1HG GLN 18 1.075 0.400 11.487 155 1HE2 GLN 18 1HE2 GLN 18 -1.629 1.290 10.772 156 2HE2 GLN 18 2HE2 GLN 18 -2.695 0.057 11.345 157 H GLU 19 H GLU 19 4.069 0.368 8.829 158 HA GLU 19 HA GLU 19 3.157 -2.084 7.463 159 1HB GLU 19 2HB GLU 19 4.697 -0.568 6.122 160 2HB GLU 19 1HB GLU 19 5.953 -0.996 7.274 161 1HG GLU 19 2HG GLU 19 5.475 -3.412 6.694 162 2HG GLU 19 1HG GLU 19 4.507 -2.793 5.359 163 H GLU 20 H GLU 20 3.496 -3.897 8.439 164 HA GLU 20 HA GLU 20 5.499 -4.073 10.599 165 1HB GLU 20 2HB GLU 20 3.009 -5.755 10.197 166 2HB GLU 20 1HB GLU 20 4.182 -5.956 11.491 167 1HG GLU 20 2HG GLU 20 3.627 -3.653 12.261 168 2HG GLU 20 1HG GLU 20 2.344 -3.614 11.055 169 H SER 21 H SER 21 7.259 -4.850 9.697 170 HA SER 21 HA SER 21 7.017 -6.397 7.229 171 1HB SER 21 2HB SER 21 9.583 -5.340 8.381 172 2HB SER 21 1HB SER 21 9.142 -5.587 6.691 173 HG SER 21 HG SER 21 8.015 -3.749 6.678 174 H GLU 22 H GLU 22 7.482 -7.111 10.500 175 HA GLU 22 HA GLU 22 9.270 -9.290 9.746 176 1HB GLU 22 2HB GLU 22 9.367 -7.544 12.061 177 2HB GLU 22 1HB GLU 22 9.713 -9.242 12.373 178 1HG GLU 22 2HG GLU 22 11.287 -9.224 10.502 179 2HG GLU 22 1HG GLU 22 11.052 -7.485 10.354 180 HA PRO 23 HA PRO 23 6.371 -11.735 12.027 181 1HB PRO 23 2HB PRO 23 3.744 -11.125 12.056 182 2HB PRO 23 1HB PRO 23 4.853 -10.568 13.313 183 1HG PRO 23 2HG PRO 23 3.764 -9.080 10.962 184 2HG PRO 23 1HG PRO 23 4.012 -8.518 12.626 185 1HD PRO 23 2HD PRO 23 5.742 -8.037 10.524 186 2HD PRO 23 1HD PRO 23 6.201 -8.004 12.240 187 H LYS 24 H LYS 24 5.692 -9.828 9.343 188 HA LYS 24 HA LYS 24 5.898 -11.749 7.375 189 1HB LYS 24 2HB LYS 24 3.169 -11.273 8.393 190 2HB LYS 24 1HB LYS 24 3.349 -11.038 6.666 191 1HG LYS 24 2HG LYS 24 4.241 -13.296 6.439 192 2HG LYS 24 1HG LYS 24 4.102 -13.522 8.181 193 1HD LYS 24 2HD LYS 24 1.644 -13.131 7.958 194 2HD LYS 24 1HD LYS 24 1.860 -13.136 6.205 195 1HE LYS 24 2HE LYS 24 2.806 -15.398 6.343 196 2HE LYS 24 1HE LYS 24 2.552 -15.388 8.085 197 1HZ LYS 24 1HZ LYS 24 0.508 -15.418 5.939 198 2HZ LYS 24 2HZ LYS 24 0.125 -15.034 7.548 199 3HZ LYS 24 3HZ LYS 24 0.765 -16.558 7.171 200 H ARG 25 H ARG 25 5.023 -10.457 5.193 201 HA ARG 25 HA ARG 25 5.695 -7.662 5.662 202 1HB ARG 25 2HB ARG 25 5.129 -9.171 3.115 203 2HB ARG 25 1HB ARG 25 5.376 -7.433 3.164 204 1HG ARG 25 2HG ARG 25 7.351 -9.584 3.876 205 2HG ARG 25 1HG ARG 25 7.425 -8.444 2.537 206 1HD ARG 25 2HD ARG 25 7.456 -6.613 4.293 207 2HD ARG 25 1HD ARG 25 7.772 -7.892 5.461 208 HE ARG 25 HE ARG 25 9.585 -6.859 3.450 209 1HH1 ARG 25 1HH1 ARG 25 8.922 -9.436 5.746 210 2HH1 ARG 25 2HH1 ARG 25 10.569 -9.964 5.802 211 1HH2 ARG 25 1HH2 ARG 25 11.739 -7.556 3.545 212 2HH2 ARG 25 2HH2 ARG 25 12.172 -8.898 4.552 213 H LYS 26 H LYS 26 3.944 -7.036 6.931 214 HA LYS 26 HA LYS 26 1.328 -7.041 5.584 215 1HB LYS 26 2HB LYS 26 1.593 -7.960 7.973 216 2HB LYS 26 1HB LYS 26 1.794 -6.283 8.462 217 1HG LYS 26 2HG LYS 26 -0.447 -6.041 7.026 218 2HG LYS 26 1HG LYS 26 -0.614 -7.718 7.541 219 1HD LYS 26 2HD LYS 26 -1.708 -6.444 9.188 220 2HD LYS 26 1HD LYS 26 -0.150 -6.887 9.894 221 1HE LYS 26 2HE LYS 26 0.739 -4.711 9.485 222 2HE LYS 26 1HE LYS 26 -0.650 -4.265 8.494 223 1HZ LYS 26 1HZ LYS 26 -0.835 -3.282 10.672 224 2HZ LYS 26 2HZ LYS 26 -0.673 -4.796 11.417 225 3HZ LYS 26 3HZ LYS 26 -2.051 -4.451 10.475 226 H ILE 27 H ILE 27 1.221 -5.284 4.345 227 HA ILE 27 HA ILE 27 2.073 -2.719 5.481 228 HB ILE 27 HB ILE 27 3.168 -2.973 3.435 229 1HG1 ILE 27 2HG1 ILE 27 0.655 -1.405 2.823 230 2HG1 ILE 27 1HG1 ILE 27 2.093 -0.779 3.624 231 1HG2 ILE 27 1HG2 ILE 27 0.585 -3.929 2.225 232 2HG2 ILE 27 2HG2 ILE 27 1.990 -4.916 2.623 233 3HG2 ILE 27 3HG2 ILE 27 2.100 -3.696 1.354 234 1HD1 ILE 27 1HD1 ILE 27 3.387 -1.114 1.596 235 2HD1 ILE 27 2HD1 ILE 27 1.975 -0.103 1.282 236 3HD1 ILE 27 3HD1 ILE 27 1.972 -1.798 0.795 237 H ALA 28 H ALA 28 0.524 -1.669 6.448 238 HA ALA 28 HA ALA 28 -2.188 -1.718 5.291 239 1HB ALA 28 1HB ALA 28 -1.394 -1.374 8.183 240 2HB ALA 28 2HB ALA 28 -2.097 -2.826 7.473 241 3HB ALA 28 3HB ALA 28 -3.041 -1.339 7.554 242 H PHE 29 H PHE 29 -2.269 0.140 4.128 243 HA PHE 29 HA PHE 29 -1.146 2.526 5.391 244 1HB PHE 29 2HB PHE 29 -1.274 3.539 3.080 245 2HB PHE 29 1HB PHE 29 -0.103 2.251 3.301 246 HD1 PHE 29 HD2 PHE 29 -3.278 3.198 1.713 247 HD2 PHE 29 HD1 PHE 29 -0.328 0.158 2.157 248 HE1 PHE 29 HE2 PHE 29 -4.183 2.035 -0.251 249 HE2 PHE 29 HE1 PHE 29 -1.231 -1.007 0.190 250 HZ PHE 29 HZ PHE 29 -3.162 -0.070 -1.018 251 H THR 30 H THR 30 -2.325 4.140 6.002 252 HA THR 30 HA THR 30 -5.192 4.118 5.559 253 HB THR 30 HB THR 30 -3.645 6.231 7.051 254 HG1 THR 30 HG1 THR 30 -4.483 4.567 8.841 255 1HG2 THR 30 1HG2 THR 30 -6.019 6.633 6.630 256 2HG2 THR 30 2HG2 THR 30 -5.705 6.392 8.350 257 3HG2 THR 30 3HG2 THR 30 -6.417 5.092 7.393 258 H LEU 31 H LEU 31 -5.919 5.013 3.745 259 HA LEU 31 HA LEU 31 -4.308 7.013 2.354 260 1HB LEU 31 2HB LEU 31 -5.336 4.931 1.273 261 2HB LEU 31 1HB LEU 31 -6.875 5.752 1.403 262 HG LEU 31 HG LEU 31 -4.568 7.006 -0.067 263 1HD1 LEU 31 1HD1 LEU 31 -5.509 6.074 -2.134 264 2HD1 LEU 31 2HD1 LEU 31 -6.630 5.105 -1.175 265 3HD1 LEU 31 3HD1 LEU 31 -4.894 4.819 -1.060 266 1HD2 LEU 31 1HD2 LEU 31 -7.562 7.316 -0.272 267 2HD2 LEU 31 2HD2 LEU 31 -6.372 8.152 -1.269 268 3HD2 LEU 31 3HD2 LEU 31 -6.443 8.462 0.465 269 H ASN 32 H ASN 32 -4.878 9.115 2.137 270 HA ASN 32 HA ASN 32 -6.929 10.135 3.871 271 1HB ASN 32 2HB ASN 32 -4.805 11.329 3.637 272 2HB ASN 32 1HB ASN 32 -5.111 11.568 1.919 273 1HD2 ASN 32 1HD2 ASN 32 -5.960 12.521 5.145 274 2HD2 ASN 32 2HD2 ASN 32 -6.836 13.943 4.707 275 H VAL 33 H VAL 33 -8.957 9.904 3.265 276 HA VAL 33 HA VAL 33 -9.707 10.422 0.469 277 HB VAL 33 HB VAL 33 -11.116 8.741 2.542 278 1HG1 VAL 33 1HG1 VAL 33 -12.600 8.059 0.718 279 2HG1 VAL 33 2HG1 VAL 33 -11.801 9.204 -0.360 280 3HG1 VAL 33 3HG1 VAL 33 -12.714 9.791 1.029 281 1HG2 VAL 33 1HG2 VAL 33 -9.127 7.645 1.778 282 2HG2 VAL 33 2HG2 VAL 33 -9.520 8.009 0.099 283 3HG2 VAL 33 3HG2 VAL 33 -10.516 6.876 1.010 284 H THR 34 H THR 34 -10.170 12.615 0.523 285 HA THR 34 HA THR 34 -11.997 13.564 2.586 286 HB THR 34 HB THR 34 -11.631 15.772 1.783 287 HG1 THR 34 HG1 THR 34 -11.071 16.216 -0.219 288 1HG2 THR 34 1HG2 THR 34 -9.031 14.258 1.601 289 2HG2 THR 34 2HG2 THR 34 -9.774 14.889 3.072 290 3HG2 THR 34 3HG2 THR 34 -9.187 15.998 1.832 291 H SER 35 H SER 35 -13.914 14.882 1.829 292 HA SER 35 HA SER 35 -15.562 13.212 0.269 293 1HB SER 35 2HB SER 35 -17.056 15.409 0.459 294 2HB SER 35 1HB SER 35 -16.775 14.348 1.841 295 HG SER 35 HG SER 35 -15.203 16.649 1.217 296 H GLU 36 H GLU 36 -13.274 15.417 -0.743 297 HA GLU 36 HA GLU 36 -14.729 16.335 -3.090 298 1HB GLU 36 2HB GLU 36 -11.852 16.830 -2.296 299 2HB GLU 36 1HB GLU 36 -12.717 17.630 -3.596 300 1HG GLU 36 2HG GLU 36 -12.655 19.156 -1.817 301 2HG GLU 36 1HG GLU 36 -14.297 18.514 -1.848 302 H THR 37 H THR 37 -12.773 13.714 -2.206 303 HA THR 37 HA THR 37 -12.295 13.037 -5.023 304 HB THR 37 HB THR 37 -10.255 14.125 -4.155 305 HG1 THR 37 HG1 THR 37 -9.979 12.460 -5.687 306 1HG2 THR 37 1HG2 THR 37 -10.243 11.880 -2.137 307 2HG2 THR 37 2HG2 THR 37 -10.474 13.596 -1.799 308 3HG2 THR 37 3HG2 THR 37 -8.923 13.017 -2.404 309 H TYR 38 H TYR 38 -13.918 12.157 -2.505 310 HA TYR 38 HA TYR 38 -12.842 9.600 -1.825 311 1HB TYR 38 2HB TYR 38 -14.417 9.546 -0.159 312 2HB TYR 38 1HB TYR 38 -14.371 11.279 -0.449 313 HD1 TYR 38 HD1 TYR 38 -16.193 12.334 -1.821 314 HD2 TYR 38 HD2 TYR 38 -16.370 8.288 -0.521 315 HE1 TYR 38 HE1 TYR 38 -18.604 12.298 -2.274 316 HE2 TYR 38 HE2 TYR 38 -18.774 8.242 -0.968 317 HH TYR 38 HH TYR 38 -20.646 9.774 -1.207 318 H HIS 39 H HIS 39 -14.976 10.723 -4.286 319 HA HIS 39 HA HIS 39 -16.699 8.460 -4.360 320 1HB HIS 39 2HB HIS 39 -17.308 10.715 -5.241 321 2HB HIS 39 1HB HIS 39 -16.189 10.456 -6.574 322 HD1 HIS 39 HD1 HIS 39 -19.509 9.327 -5.242 323 HD2 HIS 39 HD2 HIS 39 -17.118 8.769 -8.596 324 HE1 HIS 39 HE1 HIS 39 -20.965 8.152 -6.921 325 HE2 HIS 39 HE2 HIS 39 -19.451 7.691 -8.887 326 H ASP 40 H ASP 40 -13.782 9.362 -6.108 327 HA ASP 40 HA ASP 40 -13.792 7.196 -7.932 328 1HB ASP 40 2HB ASP 40 -12.409 9.211 -8.243 329 2HB ASP 40 1HB ASP 40 -11.456 8.773 -6.828 330 H ILE 41 H ILE 41 -12.409 7.641 -4.735 331 HA ILE 41 HA ILE 41 -11.062 5.119 -4.664 332 HB ILE 41 HB ILE 41 -11.813 6.863 -2.309 333 1HG1 ILE 41 2HG1 ILE 41 -9.321 7.019 -4.022 334 2HG1 ILE 41 1HG1 ILE 41 -10.672 8.141 -4.140 335 1HG2 ILE 41 1HG2 ILE 41 -9.787 5.887 -1.314 336 2HG2 ILE 41 2HG2 ILE 41 -9.570 4.898 -2.757 337 3HG2 ILE 41 3HG2 ILE 41 -10.978 4.653 -1.726 338 1HD1 ILE 41 1HD1 ILE 41 -10.278 8.844 -1.831 339 2HD1 ILE 41 2HD1 ILE 41 -8.860 9.094 -2.850 340 3HD1 ILE 41 3HD1 ILE 41 -8.913 7.731 -1.732 341 H ALA 42 H ALA 42 -14.253 6.232 -3.933 342 HA ALA 42 HA ALA 42 -15.106 4.029 -2.360 343 1HB ALA 42 1HB ALA 42 -16.719 5.864 -4.131 344 2HB ALA 42 2HB ALA 42 -16.360 6.118 -2.423 345 3HB ALA 42 3HB ALA 42 -17.374 4.764 -2.917 346 H VAL 43 H VAL 43 -14.661 4.567 -5.752 347 HA VAL 43 HA VAL 43 -16.039 2.170 -6.578 348 HB VAL 43 HB VAL 43 -14.066 3.860 -8.135 349 1HG1 VAL 43 1HG1 VAL 43 -16.088 1.832 -9.086 350 2HG1 VAL 43 2HG1 VAL 43 -14.340 1.606 -9.044 351 3HG1 VAL 43 3HG1 VAL 43 -15.046 2.817 -10.114 352 1HG2 VAL 43 1HG2 VAL 43 -15.982 5.183 -7.432 353 2HG2 VAL 43 2HG2 VAL 43 -17.079 3.962 -8.077 354 3HG2 VAL 43 3HG2 VAL 43 -16.044 4.884 -9.170 355 H LEU 44 H LEU 44 -12.705 3.230 -6.111 356 HA LEU 44 HA LEU 44 -11.622 0.591 -6.569 357 1HB LEU 44 2HB LEU 44 -10.383 2.679 -7.127 358 2HB LEU 44 1HB LEU 44 -10.308 3.056 -5.417 359 HG LEU 44 HG LEU 44 -8.984 0.986 -5.053 360 1HD1 LEU 44 1HD1 LEU 44 -8.023 -0.150 -6.985 361 2HD1 LEU 44 2HD1 LEU 44 -9.006 0.843 -8.060 362 3HD1 LEU 44 3HD1 LEU 44 -9.780 -0.295 -6.956 363 1HD2 LEU 44 1HD2 LEU 44 -7.864 2.924 -7.072 364 2HD2 LEU 44 2HD2 LEU 44 -6.919 1.832 -6.061 365 3HD2 LEU 44 3HD2 LEU 44 -7.864 3.124 -5.321 366 H LEU 45 H LEU 45 -12.886 -0.543 -4.963 367 HA LEU 45 HA LEU 45 -12.448 0.253 -2.185 368 1HB LEU 45 2HB LEU 45 -14.783 0.148 -3.152 369 2HB LEU 45 1HB LEU 45 -14.574 -1.585 -3.287 370 HG LEU 45 HG LEU 45 -14.251 -1.674 -0.813 371 1HD1 LEU 45 1HD1 LEU 45 -13.545 0.620 -0.446 372 2HD1 LEU 45 2HD1 LEU 45 -14.977 0.249 0.514 373 3HD1 LEU 45 3HD1 LEU 45 -15.126 1.206 -0.960 374 1HD2 LEU 45 1HD2 LEU 45 -16.852 -0.517 -1.807 375 2HD2 LEU 45 2HD2 LEU 45 -16.626 -1.393 -0.292 376 3HD2 LEU 45 3HD2 LEU 45 -16.390 -2.218 -1.831 377 H TYR 46 H TYR 46 -10.502 -0.696 -2.003 378 HA TYR 46 HA TYR 46 -8.910 -2.294 -1.695 379 1HB TYR 46 2HB TYR 46 -9.458 -3.858 0.144 380 2HB TYR 46 1HB TYR 46 -9.841 -2.181 0.480 381 HD1 TYR 46 HD1 TYR 46 -12.190 -1.464 0.655 382 HD2 TYR 46 HD2 TYR 46 -11.160 -5.546 0.077 383 HE1 TYR 46 HE1 TYR 46 -14.438 -2.129 1.381 384 HE2 TYR 46 HE2 TYR 46 -13.410 -6.224 0.788 385 HH TYR 46 HH TYR 46 -15.256 -5.381 2.093 386 H GLU 47 H GLU 47 -8.393 -3.312 -3.523 387 HA GLU 47 HA GLU 47 -10.025 -5.278 -4.754 388 1HB GLU 47 2HB GLU 47 -7.329 -4.146 -5.238 389 2HB GLU 47 1HB GLU 47 -7.667 -5.731 -5.924 390 1HG GLU 47 2HG GLU 47 -9.324 -3.260 -6.371 391 2HG GLU 47 1HG GLU 47 -8.120 -3.902 -7.492 392 H LYS 48 H LYS 48 -9.109 -7.417 -5.351 393 HA LYS 48 HA LYS 48 -8.825 -8.993 -3.013 394 1HB LYS 48 2HB LYS 48 -8.449 -10.806 -4.870 395 2HB LYS 48 1HB LYS 48 -10.025 -10.045 -4.689 396 1HG LYS 48 2HG LYS 48 -9.328 -8.415 -6.477 397 2HG LYS 48 1HG LYS 48 -7.913 -9.431 -6.743 398 1HD LYS 48 2HD LYS 48 -9.245 -11.262 -7.434 399 2HD LYS 48 1HD LYS 48 -10.726 -10.484 -6.872 400 1HE LYS 48 2HE LYS 48 -8.980 -9.533 -9.142 401 2HE LYS 48 1HE LYS 48 -10.516 -10.380 -9.313 402 1HZ LYS 48 1HZ LYS 48 -11.051 -8.142 -9.559 403 2HZ LYS 48 2HZ LYS 48 -10.028 -7.638 -8.307 404 3HZ LYS 48 3HZ LYS 48 -11.466 -8.464 -7.948 405 H THR 49 H THR 49 -6.632 -8.476 -5.777 406 HA THR 49 HA THR 49 -4.388 -9.161 -4.010 407 HB THR 49 HB THR 49 -3.311 -9.951 -6.270 408 HG1 THR 49 HG1 THR 49 -5.027 -9.426 -7.638 409 1HG2 THR 49 1HG2 THR 49 -3.692 -11.393 -4.323 410 2HG2 THR 49 2HG2 THR 49 -4.051 -12.240 -5.828 411 3HG2 THR 49 3HG2 THR 49 -5.367 -11.628 -4.823 412 H PHE 50 H PHE 50 -2.837 -7.688 -3.916 413 HA PHE 50 HA PHE 50 -2.955 -5.457 -5.834 414 1HB PHE 50 2HB PHE 50 -2.015 -5.595 -2.974 415 2HB PHE 50 1HB PHE 50 -1.596 -4.251 -4.026 416 HD1 PHE 50 HD1 PHE 50 -4.390 -6.012 -2.388 417 HD2 PHE 50 HD2 PHE 50 -3.143 -2.547 -4.518 418 HE1 PHE 50 HE1 PHE 50 -6.504 -4.899 -1.811 419 HE2 PHE 50 HE2 PHE 50 -5.258 -1.429 -3.947 420 HZ PHE 50 HZ PHE 50 -6.941 -2.606 -2.590 421 H ASN 51 H ASN 51 -1.367 -5.193 -7.214 422 HA ASN 51 HA ASN 51 1.076 -6.740 -6.950 423 1HB ASN 51 2HB ASN 51 -0.182 -6.418 -9.143 424 2HB ASN 51 1HB ASN 51 0.377 -4.749 -9.121 425 1HD2 ASN 51 1HD2 ASN 51 2.551 -4.309 -9.477 426 2HD2 ASN 51 2HD2 ASN 51 3.626 -5.480 -10.153 427 H VAL 52 H VAL 52 2.059 -5.784 -5.174 428 HA VAL 52 HA VAL 52 2.282 -2.918 -4.950 429 HB VAL 52 HB VAL 52 3.556 -5.059 -3.235 430 1HG1 VAL 52 1HG1 VAL 52 4.631 -2.912 -2.964 431 2HG1 VAL 52 2HG1 VAL 52 3.665 -3.280 -1.535 432 3HG1 VAL 52 3HG1 VAL 52 3.069 -2.127 -2.731 433 1HG2 VAL 52 1HG2 VAL 52 0.937 -3.606 -2.868 434 2HG2 VAL 52 2HG2 VAL 52 1.679 -4.696 -1.695 435 3HG2 VAL 52 3HG2 VAL 52 1.137 -5.315 -3.254 436 H GLU 53 H GLU 53 3.791 -1.767 -5.905 437 HA GLU 53 HA GLU 53 6.441 -2.974 -6.357 438 1HB GLU 53 2HB GLU 53 5.107 -0.914 -8.132 439 2HB GLU 53 1HB GLU 53 6.597 -1.789 -8.457 440 1HG GLU 53 2HG GLU 53 5.456 -3.795 -8.876 441 2HG GLU 53 1HG GLU 53 3.965 -3.195 -8.152 442 H VAL 54 H VAL 54 7.909 -2.046 -5.200 443 HA VAL 54 HA VAL 54 7.644 0.821 -4.670 444 HB VAL 54 HB VAL 54 6.853 -0.339 -2.687 445 1HG1 VAL 54 1HG1 VAL 54 8.025 -2.451 -2.943 446 2HG1 VAL 54 2HG1 VAL 54 8.277 -1.755 -1.342 447 3HG1 VAL 54 3HG1 VAL 54 9.551 -1.652 -2.558 448 1HG2 VAL 54 1HG2 VAL 54 9.557 0.894 -2.324 449 2HG2 VAL 54 2HG2 VAL 54 8.350 0.675 -1.058 450 3HG2 VAL 54 3HG2 VAL 54 8.017 1.743 -2.421 451 HA PRO 55 HA PRO 55 11.765 0.414 -6.439 452 1HB PRO 55 2HB PRO 55 12.113 3.106 -6.763 453 2HB PRO 55 1HB PRO 55 11.247 2.081 -7.912 454 1HG PRO 55 2HG PRO 55 10.166 3.870 -5.774 455 2HG PRO 55 1HG PRO 55 9.577 3.614 -7.426 456 1HD PRO 55 2HD PRO 55 8.414 2.458 -5.279 457 2HD PRO 55 1HD PRO 55 8.480 1.666 -6.866 458 H GLU 56 H GLU 56 10.758 2.421 -3.737 459 HA GLU 56 HA GLU 56 13.344 3.242 -2.924 460 1HB GLU 56 2HB GLU 56 11.259 4.371 -2.189 461 2HB GLU 56 1HB GLU 56 10.860 2.956 -1.222 462 1HG GLU 56 2HG GLU 56 12.929 3.295 0.073 463 2HG GLU 56 1HG GLU 56 13.244 4.759 -0.857 464 H ARG 57 H ARG 57 11.254 0.560 -1.901 465 HA ARG 57 HA ARG 57 13.388 -0.455 -0.190 466 1HB ARG 57 2HB ARG 57 10.655 -1.658 -0.651 467 2HB ARG 57 1HB ARG 57 11.773 -2.029 0.653 468 1HG ARG 57 2HG ARG 57 10.264 0.540 0.235 469 2HG ARG 57 1HG ARG 57 9.997 -0.663 1.497 470 1HD ARG 57 2HD ARG 57 12.523 0.947 1.150 471 2HD ARG 57 1HD ARG 57 11.232 1.335 2.284 472 HE ARG 57 HE ARG 57 12.203 -1.325 2.652 473 1HH1 ARG 57 1HH1 ARG 57 12.920 2.042 3.316 474 2HH1 ARG 57 2HH1 ARG 57 13.862 1.694 4.728 475 1HH2 ARG 57 1HH2 ARG 57 13.466 -1.780 4.521 476 2HH2 ARG 57 2HH2 ARG 57 14.153 -0.463 5.425 477 H ASP 58 H ASP 58 12.560 -0.588 -3.334 478 HA ASP 58 HA ASP 58 12.941 -1.922 -5.116 479 1HB ASP 58 2HB ASP 58 15.275 -1.726 -3.906 480 2HB ASP 58 1HB ASP 58 15.022 -3.442 -3.595 481 H LEU 59 H LEU 59 10.795 -2.801 -4.540 482 HA LEU 59 HA LEU 59 10.934 -5.693 -4.105 483 1HB LEU 59 2HB LEU 59 10.262 -3.970 -2.064 484 2HB LEU 59 1HB LEU 59 8.699 -4.392 -2.724 485 HG LEU 59 HG LEU 59 10.745 -6.298 -1.598 486 1HD1 LEU 59 1HD1 LEU 59 9.017 -6.703 0.099 487 2HD1 LEU 59 2HD1 LEU 59 8.000 -5.471 -0.654 488 3HD1 LEU 59 3HD1 LEU 59 9.536 -5.017 0.082 489 1HD2 LEU 59 1HD2 LEU 59 8.045 -6.865 -2.815 490 2HD2 LEU 59 2HD2 LEU 59 9.053 -8.037 -1.965 491 3HD2 LEU 59 3HD2 LEU 59 9.612 -7.330 -3.481 492 H ALA 60 H ALA 60 9.834 -6.631 -5.699 493 HA ALA 60 HA ALA 60 7.370 -5.340 -6.682 494 1HB ALA 60 1HB ALA 60 7.690 -6.584 -8.773 495 2HB ALA 60 2HB ALA 60 9.191 -7.259 -8.141 496 3HB ALA 60 3HB ALA 60 9.062 -5.526 -8.439 497 H PHE 61 H PHE 61 5.792 -6.268 -5.490 498 HA PHE 61 HA PHE 61 5.805 -9.187 -5.192 499 1HB PHE 61 2HB PHE 61 6.864 -8.535 -3.210 500 2HB PHE 61 1HB PHE 61 5.836 -7.127 -3.012 501 HD1 PHE 61 HD2 PHE 61 5.831 -10.832 -2.890 502 HD2 PHE 61 HD1 PHE 61 3.957 -7.215 -1.662 503 HE1 PHE 61 HE2 PHE 61 4.416 -12.096 -1.327 504 HE2 PHE 61 HE1 PHE 61 2.543 -8.472 -0.091 505 HZ PHE 61 HZ PHE 61 2.773 -10.918 0.078 506 H ARG 62 H ARG 62 3.882 -10.075 -5.403 507 HA ARG 62 HA ARG 62 1.535 -8.322 -5.517 508 1HB ARG 62 2HB ARG 62 1.970 -9.773 -7.489 509 2HB ARG 62 1HB ARG 62 1.796 -11.189 -6.459 510 1HG ARG 62 2HG ARG 62 -0.513 -10.641 -6.023 511 2HG ARG 62 1HG ARG 62 -0.361 -9.138 -6.930 512 1HD ARG 62 2HD ARG 62 -1.441 -10.731 -8.335 513 2HD ARG 62 1HD ARG 62 0.192 -10.492 -8.947 514 HE ARG 62 HE ARG 62 -0.211 -12.754 -7.153 515 1HH1 ARG 62 1HH1 ARG 62 0.101 -11.583 -10.439 516 2HH1 ARG 62 2HH1 ARG 62 0.395 -13.160 -11.116 517 1HH2 ARG 62 1HH2 ARG 62 0.205 -14.837 -8.030 518 2HH2 ARG 62 2HH2 ARG 62 0.446 -15.001 -9.743 519 H GLY 63 H GLY 63 0.579 -8.126 -3.613 520 1HA GLY 63 2HA GLY 63 0.640 -10.415 -1.768 521 2HA GLY 63 1HA GLY 63 0.389 -8.736 -1.308 522 H GLU 64 H GLU 64 -1.203 -11.058 -0.643 523 HA GLU 64 HA GLU 64 -3.705 -10.456 -2.046 524 1HB GLU 64 2HB GLU 64 -4.558 -12.523 -0.986 525 2HB GLU 64 1HB GLU 64 -3.146 -12.814 -1.989 526 1HG GLU 64 2HG GLU 64 -1.744 -12.855 0.028 527 2HG GLU 64 1HG GLU 64 -3.184 -12.625 1.016 528 H MET 65 H MET 65 -5.524 -9.762 -0.916 529 HA MET 65 HA MET 65 -4.866 -8.433 1.587 530 1HB MET 65 2HB MET 65 -6.331 -7.589 -0.525 531 2HB MET 65 1HB MET 65 -7.610 -8.221 0.505 532 1HG MET 65 2HG MET 65 -6.676 -6.810 2.359 533 2HG MET 65 1HG MET 65 -5.623 -6.079 1.160 534 1HE MET 65 1HE MET 65 -8.262 -3.286 1.873 535 2HE MET 65 2HE MET 65 -6.546 -3.694 1.839 536 3HE MET 65 3HE MET 65 -7.609 -4.450 3.025 537 H THR 66 H THR 66 -5.140 -9.496 3.427 538 HA THR 66 HA THR 66 -7.030 -11.679 3.632 539 HB THR 66 HB THR 66 -6.159 -11.911 5.939 540 HG1 THR 66 HG1 THR 66 -4.044 -10.210 5.673 541 1HG2 THR 66 1HG2 THR 66 -5.022 -13.052 4.081 542 2HG2 THR 66 2HG2 THR 66 -3.886 -12.579 5.343 543 3HG2 THR 66 3HG2 THR 66 -3.990 -11.639 3.855 544 H ASN 67 H ASN 67 -7.016 -8.364 4.052 545 HA ASN 67 HA ASN 67 -8.785 -8.092 6.258 546 1HB ASN 67 2HB ASN 67 -7.330 -6.257 5.607 547 2HB ASN 67 1HB ASN 67 -8.076 -6.188 4.015 548 1HD2 ASN 67 1HD2 ASN 67 -8.802 -4.127 4.145 549 2HD2 ASN 67 2HD2 ASN 67 -10.024 -3.605 5.245 550 H TYR 68 H TYR 68 -10.767 -8.950 6.175 551 HA TYR 68 HA TYR 68 -12.301 -8.989 3.731 552 1HB TYR 68 2HB TYR 68 -12.954 -9.843 6.555 553 2HB TYR 68 1HB TYR 68 -14.086 -9.984 5.214 554 HD1 TYR 68 HD1 TYR 68 -13.404 -11.405 3.223 555 HD2 TYR 68 HD2 TYR 68 -11.340 -11.517 6.940 556 HE1 TYR 68 HE1 TYR 68 -12.430 -13.575 2.607 557 HE2 TYR 68 HE2 TYR 68 -10.357 -13.692 6.336 558 HH TYR 68 HH TYR 68 -10.842 -15.587 4.848 559 H SER 69 H SER 69 -11.611 -6.675 5.939 560 HA SER 69 HA SER 69 -12.341 -4.574 6.273 561 1HB SER 69 2HB SER 69 -12.658 -4.533 3.832 562 2HB SER 69 1HB SER 69 -14.296 -5.147 4.039 563 HG SER 69 HG SER 69 -13.808 -2.931 5.563 564 H THR 70 H THR 70 -13.046 -5.276 8.342 565 HA THR 70 HA THR 70 -15.972 -5.296 8.630 566 HB THR 70 HB THR 70 -13.935 -5.631 10.840 567 HG1 THR 70 HG1 THR 70 -14.303 -7.268 8.820 568 1HG2 THR 70 1HG2 THR 70 -16.824 -6.490 10.608 569 2HG2 THR 70 2HG2 THR 70 -16.250 -5.089 11.510 570 3HG2 THR 70 3HG2 THR 70 -15.781 -6.711 12.015 571 H SER 71 H SER 71 -13.129 -3.401 9.022 572 HA SER 71 HA SER 71 -14.463 -1.331 10.543 573 1HB SER 71 2HB SER 71 -12.064 -1.836 10.943 574 2HB SER 71 1HB SER 71 -11.702 -1.344 9.291 575 HG SER 71 HG SER 71 -11.541 0.593 10.070 576 H LEU 72 H LEU 72 -14.651 0.847 9.728 577 HA LEU 72 HA LEU 72 -15.454 0.874 6.930 578 1HB LEU 72 2HB LEU 72 -15.855 2.869 9.167 579 2HB LEU 72 1HB LEU 72 -16.380 3.141 7.517 580 HG LEU 72 HG LEU 72 -17.744 0.965 7.808 581 1HD1 LEU 72 1HD1 LEU 72 -17.300 1.670 10.705 582 2HD1 LEU 72 2HD1 LEU 72 -16.671 0.240 9.887 583 3HD1 LEU 72 3HD1 LEU 72 -18.411 0.448 10.083 584 1HD2 LEU 72 1HD2 LEU 72 -19.596 2.218 8.820 585 2HD2 LEU 72 2HD2 LEU 72 -18.745 3.162 7.597 586 3HD2 LEU 72 3HD2 LEU 72 -18.463 3.478 9.309 587 H THR 73 H THR 73 -15.098 3.790 6.715 588 HA THR 73 HA THR 73 -12.415 3.739 5.696 589 HB THR 73 HB THR 73 -14.213 6.160 5.843 590 HG1 THR 73 HG1 THR 73 -14.336 3.866 4.224 591 1HG2 THR 73 1HG2 THR 73 -12.069 5.342 3.868 592 2HG2 THR 73 2HG2 THR 73 -11.886 6.557 5.130 593 3HG2 THR 73 3HG2 THR 73 -13.018 6.826 3.806 594 H ASN 74 H ASN 74 -11.735 3.274 8.044 595 HA ASN 74 HA ASN 74 -10.271 5.594 8.853 596 1HB ASN 74 2HB ASN 74 -12.341 5.971 10.147 597 2HB ASN 74 1HB ASN 74 -12.187 4.364 10.856 598 1HD2 ASN 74 1HD2 ASN 74 -10.856 7.577 10.719 599 2HD2 ASN 74 2HD2 ASN 74 -9.866 7.446 12.135 600 H LEU 75 H LEU 75 -8.296 4.932 9.446 601 HA LEU 75 HA LEU 75 -8.008 2.208 10.509 602 1HB LEU 75 2HB LEU 75 -7.362 2.114 8.195 603 2HB LEU 75 1HB LEU 75 -6.317 3.501 8.397 604 HG LEU 75 HG LEU 75 -4.773 2.235 9.742 605 1HD1 LEU 75 1HD1 LEU 75 -5.096 -0.139 10.205 606 2HD1 LEU 75 2HD1 LEU 75 -6.694 -0.073 9.462 607 3HD1 LEU 75 3HD1 LEU 75 -6.371 0.834 10.941 608 1HD2 LEU 75 1HD2 LEU 75 -4.497 2.078 7.331 609 2HD2 LEU 75 2HD2 LEU 75 -5.596 0.700 7.276 610 3HD2 LEU 75 3HD2 LEU 75 -4.044 0.558 8.102 611 H TYR 76 H TYR 76 -7.618 2.715 12.524 612 HA TYR 76 HA TYR 76 -6.216 2.847 14.248 613 1HB TYR 76 2HB TYR 76 -4.411 2.223 12.629 614 2HB TYR 76 1HB TYR 76 -4.092 3.939 12.417 615 HD1 TYR 76 HD1 TYR 76 -4.432 1.448 15.181 616 HD2 TYR 76 HD2 TYR 76 -2.396 4.866 13.679 617 HE1 TYR 76 HE1 TYR 76 -2.911 1.380 17.110 618 HE2 TYR 76 HE2 TYR 76 -0.868 4.810 15.607 619 HH TYR 76 HH TYR 76 -0.695 2.129 17.729 620 H GLU 77 H GLU 77 -5.559 5.625 12.164 621 HA GLU 77 HA GLU 77 -5.586 7.417 14.465 622 1HB GLU 77 2HB GLU 77 -3.892 7.534 12.554 623 2HB GLU 77 1HB GLU 77 -5.201 8.146 11.557 624 1HG GLU 77 2HG GLU 77 -3.896 9.984 12.346 625 2HG GLU 77 1HG GLU 77 -5.472 10.027 13.137 626 HA PRO 78 HA PRO 78 -9.808 8.411 13.318 627 1HB PRO 78 2HB PRO 78 -10.474 9.431 15.763 628 2HB PRO 78 1HB PRO 78 -10.406 7.705 15.402 629 1HG PRO 78 2HG PRO 78 -8.676 9.258 17.123 630 2HG PRO 78 1HG PRO 78 -8.704 7.506 16.875 631 1HD PRO 78 2HD PRO 78 -6.931 9.534 15.684 632 2HD PRO 78 1HD PRO 78 -6.708 7.776 15.815 633 H GLY 79 H GLY 79 -9.206 10.124 11.822 634 1HA GLY 79 2HA GLY 79 -9.066 12.811 13.007 635 2HA GLY 79 1HA GLY 79 -8.733 12.397 11.331 636 H ALA 80 H ALA 80 -10.115 14.149 10.713 637 HA ALA 80 HA ALA 80 -12.993 13.658 11.119 638 1HB ALA 80 1HB ALA 80 -12.186 15.891 11.754 639 2HB ALA 80 2HB ALA 80 -13.333 15.968 10.417 640 3HB ALA 80 3HB ALA 80 -11.604 16.143 10.109 641 H VAL 81 H VAL 81 -10.462 13.960 8.756 642 HA VAL 81 HA VAL 81 -12.082 13.721 6.418 643 HB VAL 81 HB VAL 81 -9.773 14.587 6.372 644 1HG1 VAL 81 1HG1 VAL 81 -8.779 13.172 8.072 645 2HG1 VAL 81 2HG1 VAL 81 -7.863 13.065 6.566 646 3HG1 VAL 81 3HG1 VAL 81 -8.958 11.762 7.027 647 1HG2 VAL 81 1HG2 VAL 81 -10.117 12.074 4.748 648 2HG2 VAL 81 2HG2 VAL 81 -8.973 13.372 4.410 649 3HG2 VAL 81 3HG2 VAL 81 -10.707 13.679 4.321 650 H SER 82 H SER 82 -12.294 11.749 5.087 651 HA SER 82 HA SER 82 -12.625 9.373 6.666 652 1HB SER 82 2HB SER 82 -12.761 9.585 3.647 653 2HB SER 82 1HB SER 82 -13.514 8.372 4.679 654 HG SER 82 HG SER 82 -14.628 10.331 5.638 655 H GLU 83 H GLU 83 -11.124 7.840 6.992 656 HA GLU 83 HA GLU 83 -8.617 8.122 5.480 657 1HB GLU 83 2HB GLU 83 -9.072 7.333 8.362 658 2HB GLU 83 1HB GLU 83 -7.505 7.341 7.564 659 1HG GLU 83 2HG GLU 83 -7.506 9.675 7.328 660 2HG GLU 83 1HG GLU 83 -9.226 9.793 7.684 661 H PHE 84 H PHE 84 -8.737 6.569 3.962 662 HA PHE 84 HA PHE 84 -10.277 4.238 4.187 663 1HB PHE 84 2HB PHE 84 -8.740 5.505 2.167 664 2HB PHE 84 1HB PHE 84 -8.241 3.818 2.235 665 HD1 PHE 84 HD2 PHE 84 -11.348 5.865 2.238 666 HD2 PHE 84 HD1 PHE 84 -9.425 2.285 0.988 667 HE1 PHE 84 HE2 PHE 84 -13.354 5.249 0.977 668 HE2 PHE 84 HE1 PHE 84 -11.437 1.649 -0.284 669 HZ PHE 84 HZ PHE 84 -13.408 3.130 -0.286 670 H TYR 85 H TYR 85 -9.913 2.248 4.782 671 HA TYR 85 HA TYR 85 -7.370 1.639 6.088 672 1HB TYR 85 2HB TYR 85 -9.122 1.424 7.625 673 2HB TYR 85 1HB TYR 85 -10.207 0.718 6.441 674 HD1 TYR 85 HD1 TYR 85 -6.745 -0.368 7.356 675 HD2 TYR 85 HD2 TYR 85 -10.908 -1.234 7.432 676 HE1 TYR 85 HE1 TYR 85 -6.257 -2.610 8.247 677 HE2 TYR 85 HE2 TYR 85 -10.437 -3.471 8.324 678 HH TYR 85 HH TYR 85 -7.348 -4.375 9.496 679 H ILE 86 H ILE 86 -6.072 0.885 4.466 680 HA ILE 86 HA ILE 86 -7.034 -1.536 3.060 681 HB ILE 86 HB ILE 86 -4.862 0.341 2.124 682 1HG1 ILE 86 2HG1 ILE 86 -7.086 1.434 2.042 683 2HG1 ILE 86 1HG1 ILE 86 -6.445 1.125 0.431 684 1HG2 ILE 86 1HG2 ILE 86 -6.242 -1.981 0.787 685 2HG2 ILE 86 2HG2 ILE 86 -4.580 -1.943 1.378 686 3HG2 ILE 86 3HG2 ILE 86 -5.060 -0.918 0.024 687 1HD1 ILE 86 1HD1 ILE 86 -8.541 -0.496 1.856 688 2HD1 ILE 86 2HD1 ILE 86 -7.882 -0.846 0.260 689 3HD1 ILE 86 3HD1 ILE 86 -8.807 0.631 0.525 690 H GLU 87 H GLU 87 -6.275 -3.134 4.419 691 HA GLU 87 HA GLU 87 -3.432 -3.062 5.147 692 1HB GLU 87 2HB GLU 87 -4.995 -3.241 7.039 693 2HB GLU 87 1HB GLU 87 -5.675 -4.704 6.343 694 1HG GLU 87 2HG GLU 87 -3.681 -5.918 6.715 695 2HG GLU 87 1HG GLU 87 -2.781 -4.455 7.109 696 H ILE 88 H ILE 88 -2.147 -4.206 3.914 697 HA ILE 88 HA ILE 88 -3.207 -6.538 2.459 698 HB ILE 88 HB ILE 88 -0.602 -5.120 1.896 699 1HG1 ILE 88 2HG1 ILE 88 -2.407 -3.470 1.744 700 2HG1 ILE 88 1HG1 ILE 88 -1.767 -3.844 0.147 701 1HG2 ILE 88 1HG2 ILE 88 -2.372 -6.891 0.214 702 2HG2 ILE 88 2HG2 ILE 88 -0.816 -7.329 0.921 703 3HG2 ILE 88 3HG2 ILE 88 -0.897 -6.103 -0.346 704 1HD1 ILE 88 1HD1 ILE 88 -4.329 -4.849 1.352 705 2HD1 ILE 88 2HD1 ILE 88 -3.692 -5.336 -0.219 706 3HD1 ILE 88 3HD1 ILE 88 -4.157 -3.659 0.063 707 H THR 89 H THR 89 -1.978 -8.476 2.424 708 HA THR 89 HA THR 89 0.049 -8.679 4.550 709 HB THR 89 HB THR 89 -1.984 -10.828 3.913 710 HG1 THR 89 HG1 THR 89 -2.152 -8.571 5.511 711 1HG2 THR 89 1HG2 THR 89 -0.083 -10.450 6.235 712 2HG2 THR 89 2HG2 THR 89 0.070 -11.647 4.950 713 3HG2 THR 89 3HG2 THR 89 -1.273 -11.743 6.089 714 H GLU 90 H GLU 90 1.767 -10.049 4.134 715 HA GLU 90 HA GLU 90 2.579 -10.603 1.536 716 1HB GLU 90 2HB GLU 90 4.025 -10.550 3.588 717 2HB GLU 90 1HB GLU 90 3.370 -12.118 4.034 718 1HG GLU 90 2HG GLU 90 4.363 -13.146 2.113 719 2HG GLU 90 1HG GLU 90 4.871 -11.580 1.481 720 H ILE 91 H ILE 91 2.076 -12.141 0.124 721 HA ILE 91 HA ILE 91 -0.206 -13.721 0.501 722 HB ILE 91 HB ILE 91 0.367 -12.993 -1.714 723 1HG1 ILE 91 2HG1 ILE 91 0.606 -15.990 -1.411 724 2HG1 ILE 91 1HG1 ILE 91 -0.878 -15.068 -1.615 725 1HG2 ILE 91 1HG2 ILE 91 2.787 -12.909 -1.495 726 2HG2 ILE 91 2HG2 ILE 91 2.330 -13.843 -2.921 727 3HG2 ILE 91 3HG2 ILE 91 2.862 -14.669 -1.456 728 1HD1 ILE 91 1HD1 ILE 91 -0.269 -16.180 -3.668 729 2HD1 ILE 91 2HD1 ILE 91 1.312 -15.398 -3.647 730 3HD1 ILE 91 3HD1 ILE 91 -0.146 -14.430 -3.865 731 H ASP 92 H ASP 92 -0.519 -15.729 1.208 732 HA ASP 92 HA ASP 92 1.859 -17.375 1.750 733 1HB ASP 92 2HB ASP 92 -0.929 -17.622 2.883 734 2HB ASP 92 1HB ASP 92 0.394 -18.719 3.226 735 H LYS 93 H LYS 93 1.679 -19.643 1.342 736 HA LYS 93 HA LYS 93 -0.054 -20.226 -0.943 737 1HB LYS 93 2HB LYS 93 1.606 -21.984 -1.516 738 2HB LYS 93 1HB LYS 93 2.255 -20.357 -1.570 739 1HG LYS 93 2HG LYS 93 3.116 -20.821 0.796 740 2HG LYS 93 1HG LYS 93 2.773 -22.518 0.440 741 1HD LYS 93 2HD LYS 93 4.213 -22.365 -1.555 742 2HD LYS 93 1HD LYS 93 4.584 -20.691 -1.147 743 1HE LYS 93 2HE LYS 93 6.409 -21.870 -0.319 744 2HE LYS 93 1HE LYS 93 5.393 -21.640 1.103 745 1HZ LYS 93 1HZ LYS 93 5.509 -24.105 -0.557 746 2HZ LYS 93 2HZ LYS 93 4.556 -23.888 0.831 747 3HZ LYS 93 3HZ LYS 93 6.247 -23.897 0.956 748 H ASN 94 H ASN 94 0.257 -20.611 2.145 749 HA ASN 94 HA ASN 94 -0.712 -21.802 3.796 750 1HB ASN 94 2HB ASN 94 -2.702 -21.676 2.310 751 2HB ASN 94 1HB ASN 94 -2.212 -23.203 1.590 752 1HD2 ASN 94 1HD2 ASN 94 -3.421 -21.626 4.432 753 2HD2 ASN 94 2HD2 ASN 94 -3.980 -23.058 5.246 754 H ALA 95 H ALA 95 -0.299 -24.019 1.088 755 HA ALA 95 HA ALA 95 1.541 -25.629 2.739 756 1HB ALA 95 1HB ALA 95 -0.531 -26.872 2.241 757 2HB ALA 95 2HB ALA 95 0.871 -27.596 1.450 758 3HB ALA 95 3HB ALA 95 -0.259 -26.615 0.516 759 H ASP 96 H ASP 96 0.629 -25.316 -0.674 760 HA ASP 96 HA ASP 96 2.963 -23.838 -1.353 761 1HB ASP 96 2HB ASP 96 3.605 -26.417 -1.243 762 2HB ASP 96 1HB ASP 96 2.862 -26.429 -2.838 763 H SER 97 H SER 97 3.006 -24.281 -4.073 764 HA SER 97 HA SER 97 0.351 -24.256 -5.145 765 1HB SER 97 2HB SER 97 0.582 -21.983 -3.977 766 2HB SER 97 1HB SER 97 1.784 -21.593 -5.206 767 HG SER 97 HG SER 97 0.256 -21.498 -6.708 768 H LEU 98 H LEU 98 2.318 -25.836 -5.859 769 HA LEU 98 HA LEU 98 3.890 -24.702 -8.001 770 1HB LEU 98 2HB LEU 98 4.724 -26.502 -6.470 771 2HB LEU 98 1HB LEU 98 3.578 -27.599 -7.218 772 HG LEU 98 HG LEU 98 4.714 -27.283 -9.390 773 1HD1 LEU 98 1HD1 LEU 98 6.867 -26.151 -9.478 774 2HD1 LEU 98 2HD1 LEU 98 6.712 -25.694 -7.781 775 3HD1 LEU 98 3HD1 LEU 98 5.597 -25.033 -8.979 776 1HD2 LEU 98 1HD2 LEU 98 5.333 -29.152 -7.954 777 2HD2 LEU 98 2HD2 LEU 98 6.522 -28.140 -7.133 778 3HD2 LEU 98 3HD2 LEU 98 6.737 -28.548 -8.836 779 H GLU 99 H GLU 99 1.887 -23.963 -9.059 780 HA GLU 99 HA GLU 99 0.025 -25.749 -10.194 781 1HB GLU 99 2HB GLU 99 0.799 -22.950 -11.041 782 2HB GLU 99 1HB GLU 99 -0.612 -23.822 -11.618 783 1HG GLU 99 2HG GLU 99 -0.139 -23.165 -8.723 784 2HG GLU 99 1HG GLU 99 -1.043 -22.130 -9.828 785 H HIS 100 H HIS 100 0.519 -27.266 -11.612 786 HA HIS 100 HA HIS 100 2.298 -26.527 -13.839 787 1HB HIS 100 2HB HIS 100 2.695 -29.037 -14.084 788 2HB HIS 100 1HB HIS 100 3.467 -28.233 -12.728 789 HD1 HIS 100 HD1 HIS 100 2.124 -28.563 -10.354 790 HD2 HIS 100 HD2 HIS 100 1.327 -31.270 -13.411 791 HE1 HIS 100 HE1 HIS 100 1.146 -30.586 -9.230 792 HE2 HIS 100 HE2 HIS 100 0.948 -32.301 -11.067 793 H HIS 101 H HIS 101 -0.691 -26.496 -13.197 794 HA HIS 101 HA HIS 101 -1.441 -27.316 -15.927 795 1HB HIS 101 2HB HIS 101 -2.665 -28.574 -14.104 796 2HB HIS 101 1HB HIS 101 -3.316 -27.038 -13.554 797 HD1 HIS 101 HD1 HIS 101 -3.580 -29.538 -16.341 798 HD2 HIS 101 HD2 HIS 101 -5.441 -26.042 -15.057 799 HE1 HIS 101 HE1 HIS 101 -5.697 -29.360 -17.686 800 HE2 HIS 101 HE2 HIS 101 -6.920 -27.387 -16.700 801 H HIS 102 H HIS 102 -1.778 -25.570 -17.200 802 HA HIS 102 HA HIS 102 -1.145 -23.035 -16.011 803 1HB HIS 102 2HB HIS 102 -0.208 -23.829 -18.174 804 2HB HIS 102 1HB HIS 102 -1.802 -23.660 -18.896 805 HD1 HIS 102 HD1 HIS 102 0.863 -21.495 -17.252 806 HD2 HIS 102 HD2 HIS 102 -2.308 -21.199 -19.929 807 HE1 HIS 102 HE1 HIS 102 0.923 -19.134 -18.121 808 HE2 HIS 102 HE2 HIS 102 -0.992 -18.983 -19.758 809 H HIS 103 H HIS 103 -3.985 -24.501 -16.052 810 HA HIS 103 HA HIS 103 -6.149 -23.865 -15.778 811 1HB HIS 103 2HB HIS 103 -5.232 -20.981 -15.869 812 2HB HIS 103 1HB HIS 103 -6.693 -21.618 -15.131 813 HD1 HIS 103 HD1 HIS 103 -3.564 -20.318 -14.200 814 HD2 HIS 103 HD2 HIS 103 -5.804 -23.581 -12.902 815 HE1 HIS 103 HE1 HIS 103 -2.692 -20.878 -11.907 816 HE2 HIS 103 HE2 HIS 103 -3.952 -22.940 -11.199 817 H HIS 104 H HIS 104 -7.879 -22.269 -16.925 818 HA HIS 104 HA HIS 104 -7.126 -21.570 -19.628 819 1HB HIS 104 2HB HIS 104 -7.465 -24.073 -19.674 820 2HB HIS 104 1HB HIS 104 -9.156 -23.781 -19.280 821 HD1 HIS 104 HD1 HIS 104 -10.687 -22.940 -21.182 822 HD2 HIS 104 HD2 HIS 104 -6.691 -23.312 -22.274 823 HE1 HIS 104 HE1 HIS 104 -10.641 -22.706 -23.681 824 HE2 HIS 104 HE2 HIS 104 -8.205 -22.802 -24.311 825 H HIS 105 H HIS 105 -9.212 -21.417 -16.973 826 HA HIS 105 HA HIS 105 -11.128 -20.324 -16.480 827 1HB HIS 105 2HB HIS 105 -10.260 -18.783 -18.907 828 2HB HIS 105 1HB HIS 105 -11.829 -18.466 -18.179 829 HD1 HIS 105 HD1 HIS 105 -8.875 -16.834 -18.242 830 HD2 HIS 105 HD2 HIS 105 -11.058 -18.385 -15.058 831 HE1 HIS 105 HE1 HIS 105 -8.124 -15.549 -16.212 832 HE2 HIS 105 HE2 HIS 105 -9.609 -16.367 -14.340 Start of MODEL 5 1 1H MET 1 1H MET 1 11.537 7.345 5.096 2 2H MET 1 2H MET 1 12.145 6.655 3.673 3 3H MET 1 3H MET 1 10.844 5.926 4.480 4 HA MET 1 HA MET 1 9.437 7.796 4.013 5 1HB MET 1 2HB MET 1 11.922 8.855 2.654 6 2HB MET 1 1HB MET 1 10.317 9.490 2.332 7 1HG MET 1 2HG MET 1 11.436 10.913 3.896 8 2HG MET 1 1HG MET 1 10.109 10.091 4.713 9 1HE MET 1 1HE MET 1 12.753 10.442 7.570 10 2HE MET 1 2HE MET 1 11.080 10.722 7.091 11 3HE MET 1 3HE MET 1 12.384 11.603 6.295 12 H VAL 2 H VAL 2 8.044 7.423 2.367 13 HA VAL 2 HA VAL 2 9.064 5.935 0.037 14 HB VAL 2 HB VAL 2 6.457 5.324 1.460 15 1HG1 VAL 2 1HG1 VAL 2 6.338 3.408 -0.075 16 2HG1 VAL 2 2HG1 VAL 2 7.793 3.981 -0.890 17 3HG1 VAL 2 3HG1 VAL 2 6.319 4.948 -0.935 18 1HG2 VAL 2 1HG2 VAL 2 7.489 3.196 2.093 19 2HG2 VAL 2 2HG2 VAL 2 8.375 4.562 2.770 20 3HG2 VAL 2 3HG2 VAL 2 9.008 3.711 1.361 21 H LYS 3 H LYS 3 8.876 7.444 -1.528 22 HA LYS 3 HA LYS 3 6.467 9.102 -1.596 23 1HB LYS 3 2HB LYS 3 8.616 10.255 -1.837 24 2HB LYS 3 1HB LYS 3 8.994 9.273 -3.247 25 1HG LYS 3 2HG LYS 3 7.079 10.222 -4.426 26 2HG LYS 3 1HG LYS 3 6.702 11.209 -3.015 27 1HD LYS 3 2HD LYS 3 8.913 12.293 -3.231 28 2HD LYS 3 1HD LYS 3 9.196 11.358 -4.703 29 1HE LYS 3 2HE LYS 3 8.389 13.657 -5.144 30 2HE LYS 3 1HE LYS 3 7.319 12.411 -5.787 31 1HZ LYS 3 1HZ LYS 3 5.818 12.735 -3.992 32 2HZ LYS 3 2HZ LYS 3 6.168 14.270 -4.621 33 3HZ LYS 3 3HZ LYS 3 6.893 13.758 -3.174 34 H THR 4 H THR 4 8.386 7.051 -3.791 35 HA THR 4 HA THR 4 6.123 6.995 -5.632 36 HB THR 4 HB THR 4 8.829 5.717 -6.050 37 HG1 THR 4 HG1 THR 4 9.338 7.841 -5.934 38 1HG2 THR 4 1HG2 THR 4 7.052 4.916 -7.531 39 2HG2 THR 4 2HG2 THR 4 8.220 5.891 -8.423 40 3HG2 THR 4 3HG2 THR 4 6.660 6.577 -7.970 41 H LEU 5 H LEU 5 4.831 5.730 -4.116 42 HA LEU 5 HA LEU 5 5.402 2.849 -4.362 43 1HB LEU 5 2HB LEU 5 4.863 3.619 -2.084 44 2HB LEU 5 1HB LEU 5 3.359 4.308 -2.664 45 HG LEU 5 HG LEU 5 2.573 2.032 -3.251 46 1HD1 LEU 5 1HD1 LEU 5 4.741 0.974 -3.586 47 2HD1 LEU 5 2HD1 LEU 5 3.776 0.091 -2.402 48 3HD1 LEU 5 3HD1 LEU 5 5.093 1.133 -1.866 49 1HD2 LEU 5 1HD2 LEU 5 2.175 1.289 -0.956 50 2HD2 LEU 5 2HD2 LEU 5 1.964 3.034 -1.118 51 3HD2 LEU 5 3HD2 LEU 5 3.430 2.389 -0.383 52 H ARG 6 H ARG 6 4.127 1.638 -5.740 53 HA ARG 6 HA ARG 6 1.893 3.075 -6.998 54 1HB ARG 6 2HB ARG 6 4.259 3.004 -8.213 55 2HB ARG 6 1HB ARG 6 3.679 1.426 -8.724 56 1HG ARG 6 2HG ARG 6 1.770 2.409 -9.787 57 2HG ARG 6 1HG ARG 6 2.182 4.001 -9.143 58 1HD ARG 6 2HD ARG 6 4.379 3.777 -10.375 59 2HD ARG 6 1HD ARG 6 3.673 2.384 -11.187 60 HE ARG 6 HE ARG 6 1.841 4.133 -11.798 61 1HH1 ARG 6 1HH1 ARG 6 5.294 4.655 -11.601 62 2HH1 ARG 6 2HH1 ARG 6 5.309 5.925 -12.791 63 1HH2 ARG 6 1HH2 ARG 6 1.844 5.768 -13.425 64 2HH2 ARG 6 2HH2 ARG 6 3.350 6.538 -13.846 65 H LEU 7 H LEU 7 0.142 1.908 -6.760 66 HA LEU 7 HA LEU 7 0.307 -0.999 -6.571 67 1HB LEU 7 2HB LEU 7 -2.047 0.873 -6.278 68 2HB LEU 7 1HB LEU 7 -2.118 -0.866 -6.064 69 HG LEU 7 HG LEU 7 -0.532 1.056 -4.352 70 1HD1 LEU 7 1HD1 LEU 7 -2.153 0.503 -2.619 71 2HD1 LEU 7 2HD1 LEU 7 -3.038 -0.513 -3.759 72 3HD1 LEU 7 3HD1 LEU 7 -2.946 1.229 -4.018 73 1HD2 LEU 7 1HD2 LEU 7 0.545 -1.144 -4.550 74 2HD2 LEU 7 2HD2 LEU 7 -0.960 -1.921 -4.057 75 3HD2 LEU 7 3HD2 LEU 7 -0.096 -0.874 -2.931 76 H ASN 8 H ASN 8 0.418 -2.017 -8.437 77 HA ASN 8 HA ASN 8 -0.043 -2.745 -10.530 78 1HB ASN 8 2HB ASN 8 -2.434 -2.638 -9.796 79 2HB ASN 8 1HB ASN 8 -2.514 -0.995 -10.418 80 1HD2 ASN 8 1HD2 ASN 8 -3.996 -3.421 -11.173 81 2HD2 ASN 8 2HD2 ASN 8 -3.724 -3.632 -12.869 82 H ASN 9 H ASN 9 -1.356 0.551 -10.746 83 HA ASN 9 HA ASN 9 0.937 1.375 -12.325 84 1HB ASN 9 2HB ASN 9 -0.445 2.173 -14.205 85 2HB ASN 9 1HB ASN 9 -0.537 0.425 -14.024 86 1HD2 ASN 9 1HD2 ASN 9 -2.426 -0.507 -13.269 87 2HD2 ASN 9 2HD2 ASN 9 -3.942 0.336 -13.293 88 H VAL 10 H VAL 10 -1.470 2.034 -10.092 89 HA VAL 10 HA VAL 10 -1.485 4.891 -10.632 90 HB VAL 10 HB VAL 10 -3.190 5.004 -8.838 91 1HG1 VAL 10 1HG1 VAL 10 -3.854 4.813 -11.177 92 2HG1 VAL 10 2HG1 VAL 10 -5.002 3.990 -10.121 93 3HG1 VAL 10 3HG1 VAL 10 -3.824 3.056 -11.044 94 1HG2 VAL 10 1HG2 VAL 10 -4.253 2.931 -8.050 95 2HG2 VAL 10 2HG2 VAL 10 -2.578 3.072 -7.517 96 3HG2 VAL 10 3HG2 VAL 10 -2.988 2.000 -8.856 97 H THR 11 H THR 11 -0.206 6.228 -9.567 98 HA THR 11 HA THR 11 1.599 5.257 -7.597 99 HB THR 11 HB THR 11 2.250 7.070 -9.120 100 HG1 THR 11 HG1 THR 11 2.369 8.542 -6.812 101 1HG2 THR 11 1HG2 THR 11 0.065 8.189 -9.276 102 2HG2 THR 11 2HG2 THR 11 1.358 9.321 -8.878 103 3HG2 THR 11 3HG2 THR 11 0.253 8.764 -7.622 104 H LEU 12 H LEU 12 1.710 5.827 -5.384 105 HA LEU 12 HA LEU 12 -0.856 6.712 -4.255 106 1HB LEU 12 2HB LEU 12 -0.611 4.230 -4.250 107 2HB LEU 12 1HB LEU 12 0.801 4.418 -3.232 108 HG LEU 12 HG LEU 12 -0.606 5.446 -1.488 109 1HD1 LEU 12 1HD1 LEU 12 -2.354 6.341 -2.953 110 2HD1 LEU 12 2HD1 LEU 12 -3.027 5.342 -1.664 111 3HD1 LEU 12 3HD1 LEU 12 -2.897 4.699 -3.303 112 1HD2 LEU 12 1HD2 LEU 12 -1.487 2.731 -2.454 113 2HD2 LEU 12 2HD2 LEU 12 -1.775 3.380 -0.838 114 3HD2 LEU 12 3HD2 LEU 12 -0.126 3.080 -1.390 115 H GLU 13 H GLU 13 -0.757 8.024 -2.584 116 HA GLU 13 HA GLU 13 1.849 8.516 -1.308 117 1HB GLU 13 2HB GLU 13 -0.388 10.438 -1.964 118 2HB GLU 13 1HB GLU 13 0.916 10.838 -0.853 119 1HG GLU 13 2HG GLU 13 2.543 10.687 -2.568 120 2HG GLU 13 1HG GLU 13 1.393 9.954 -3.683 121 H MET 14 H MET 14 1.905 8.458 0.905 122 HA MET 14 HA MET 14 -0.600 7.621 2.190 123 1HB MET 14 2HB MET 14 2.202 6.609 2.717 124 2HB MET 14 1HB MET 14 0.801 6.205 3.693 125 1HG MET 14 2HG MET 14 1.169 4.373 2.274 126 2HG MET 14 1HG MET 14 -0.223 5.225 1.612 127 1HE MET 14 1HE MET 14 4.019 5.615 -0.169 128 2HE MET 14 2HE MET 14 3.665 4.642 1.260 129 3HE MET 14 3HE MET 14 3.506 6.397 1.328 130 H ALA 15 H ALA 15 -0.646 7.930 4.500 131 HA ALA 15 HA ALA 15 1.027 10.171 5.416 132 1HB ALA 15 1HB ALA 15 -0.901 10.910 6.752 133 2HB ALA 15 2HB ALA 15 -1.871 9.621 6.039 134 3HB ALA 15 3HB ALA 15 -1.242 10.919 5.021 135 H ALA 16 H ALA 16 -1.036 7.488 6.495 136 HA ALA 16 HA ALA 16 0.951 6.920 8.587 137 1HB ALA 16 1HB ALA 16 -0.802 5.734 9.793 138 2HB ALA 16 2HB ALA 16 -1.947 6.077 8.495 139 3HB ALA 16 3HB ALA 16 -1.293 7.396 9.465 140 H TYR 17 H TYR 17 2.296 5.827 7.116 141 HA TYR 17 HA TYR 17 1.266 3.294 6.042 142 1HB TYR 17 2HB TYR 17 2.396 4.749 4.419 143 2HB TYR 17 1HB TYR 17 3.817 4.813 5.449 144 HD1 TYR 17 HD2 TYR 17 1.717 2.419 3.499 145 HD2 TYR 17 HD1 TYR 17 5.551 3.280 5.143 146 HE1 TYR 17 HE2 TYR 17 2.662 0.485 2.308 147 HE2 TYR 17 HE1 TYR 17 6.499 1.349 3.949 148 HH TYR 17 HH TYR 17 5.780 -0.753 2.949 149 H GLN 18 H GLN 18 1.403 1.782 7.636 150 HA GLN 18 HA GLN 18 4.004 1.501 8.965 151 1HB GLN 18 2HB GLN 18 2.800 0.218 10.680 152 2HB GLN 18 1HB GLN 18 2.227 1.869 10.565 153 1HG GLN 18 2HG GLN 18 0.307 1.068 9.249 154 2HG GLN 18 1HG GLN 18 0.883 -0.585 9.458 155 1HE2 GLN 18 1HE2 GLN 18 1.113 1.878 11.922 156 2HE2 GLN 18 2HE2 GLN 18 -0.035 1.172 13.006 157 H GLU 19 H GLU 19 5.008 -0.519 8.952 158 HA GLU 19 HA GLU 19 3.822 -2.558 7.242 159 1HB GLU 19 2HB GLU 19 4.884 -1.241 5.609 160 2HB GLU 19 1HB GLU 19 6.307 -0.994 6.612 161 1HG GLU 19 2HG GLU 19 6.634 -3.528 6.396 162 2HG GLU 19 1HG GLU 19 5.487 -3.415 5.062 163 H GLU 20 H GLU 20 4.355 -4.525 7.764 164 HA GLU 20 HA GLU 20 6.588 -5.035 9.598 165 1HB GLU 20 2HB GLU 20 4.372 -6.837 8.585 166 2HB GLU 20 1HB GLU 20 5.675 -7.365 9.643 167 1HG GLU 20 2HG GLU 20 4.942 -5.735 11.330 168 2HG GLU 20 1HG GLU 20 3.603 -5.278 10.281 169 H SER 21 H SER 21 8.450 -5.156 8.607 170 HA SER 21 HA SER 21 8.580 -5.732 5.797 171 1HB SER 21 2HB SER 21 10.915 -5.314 7.668 172 2HB SER 21 1HB SER 21 10.842 -5.005 5.932 173 HG SER 21 HG SER 21 9.395 -3.297 6.332 174 H GLU 22 H GLU 22 9.123 -7.564 8.743 175 HA GLU 22 HA GLU 22 10.081 -9.746 7.096 176 1HB GLU 22 2HB GLU 22 11.854 -9.904 9.199 177 2HB GLU 22 1HB GLU 22 12.200 -9.489 7.543 178 1HG GLU 22 2HG GLU 22 11.405 -7.095 8.430 179 2HG GLU 22 1HG GLU 22 12.005 -7.789 9.936 180 HA PRO 23 HA PRO 23 8.373 -11.937 10.505 181 1HB PRO 23 2HB PRO 23 5.732 -10.775 10.838 182 2HB PRO 23 1HB PRO 23 6.905 -11.188 12.089 183 1HG PRO 23 2HG PRO 23 6.213 -8.618 11.437 184 2HG PRO 23 1HG PRO 23 7.773 -9.073 12.145 185 1HD PRO 23 2HD PRO 23 7.086 -8.473 9.296 186 2HD PRO 23 1HD PRO 23 8.554 -8.071 10.216 187 H LYS 24 H LYS 24 6.638 -9.980 8.311 188 HA LYS 24 HA LYS 24 6.318 -11.750 6.216 189 1HB LYS 24 2HB LYS 24 4.627 -12.856 7.656 190 2HB LYS 24 1HB LYS 24 3.792 -11.325 7.843 191 1HG LYS 24 2HG LYS 24 3.391 -11.291 5.399 192 2HG LYS 24 1HG LYS 24 4.122 -12.893 5.295 193 1HD LYS 24 2HD LYS 24 2.400 -13.843 6.653 194 2HD LYS 24 1HD LYS 24 1.750 -12.247 7.032 195 1HE LYS 24 2HE LYS 24 0.359 -13.327 5.372 196 2HE LYS 24 1HE LYS 24 1.177 -11.939 4.659 197 1HZ LYS 24 1HZ LYS 24 1.753 -14.817 4.253 198 2HZ LYS 24 2HZ LYS 24 2.874 -13.612 3.847 199 3HZ LYS 24 3HZ LYS 24 1.359 -13.643 3.092 200 H ARG 25 H ARG 25 5.671 -10.494 4.433 201 HA ARG 25 HA ARG 25 5.834 -7.682 4.878 202 1HB ARG 25 2HB ARG 25 5.384 -9.368 2.448 203 2HB ARG 25 1HB ARG 25 5.151 -7.627 2.364 204 1HG ARG 25 2HG ARG 25 7.684 -8.964 3.290 205 2HG ARG 25 1HG ARG 25 7.399 -8.379 1.652 206 1HD ARG 25 2HD ARG 25 7.080 -6.116 2.503 207 2HD ARG 25 1HD ARG 25 7.341 -6.693 4.149 208 HE ARG 25 HE ARG 25 9.594 -7.470 2.874 209 1HH1 ARG 25 1HH1 ARG 25 7.922 -4.402 3.075 210 2HH1 ARG 25 2HH1 ARG 25 9.366 -3.457 3.011 211 1HH2 ARG 25 1HH2 ARG 25 11.510 -6.232 2.749 212 2HH2 ARG 25 2HH2 ARG 25 11.422 -4.503 2.810 213 H LYS 26 H LYS 26 4.208 -7.145 6.234 214 HA LYS 26 HA LYS 26 1.510 -7.113 5.052 215 1HB LYS 26 2HB LYS 26 1.512 -8.374 7.122 216 2HB LYS 26 1HB LYS 26 2.374 -7.098 7.952 217 1HG LYS 26 2HG LYS 26 -0.106 -6.170 6.794 218 2HG LYS 26 1HG LYS 26 -0.346 -7.512 7.916 219 1HD LYS 26 2HD LYS 26 1.093 -6.288 9.552 220 2HD LYS 26 1HD LYS 26 1.077 -4.911 8.449 221 1HE LYS 26 2HE LYS 26 -0.559 -4.683 10.222 222 2HE LYS 26 1HE LYS 26 -1.335 -4.760 8.648 223 1HZ LYS 26 1HZ LYS 26 -1.005 -7.230 10.204 224 2HZ LYS 26 2HZ LYS 26 -2.227 -6.805 9.097 225 3HZ LYS 26 3HZ LYS 26 -2.222 -6.140 10.656 226 H ILE 27 H ILE 27 1.311 -5.217 4.074 227 HA ILE 27 HA ILE 27 2.372 -2.830 5.404 228 HB ILE 27 HB ILE 27 1.925 -1.677 3.223 229 1HG1 ILE 27 2HG1 ILE 27 1.494 -4.497 2.213 230 2HG1 ILE 27 1HG1 ILE 27 0.229 -3.282 2.386 231 1HG2 ILE 27 1HG2 ILE 27 3.784 -4.043 3.219 232 2HG2 ILE 27 2HG2 ILE 27 4.142 -2.415 3.793 233 3HG2 ILE 27 3HG2 ILE 27 3.860 -2.703 2.076 234 1HD1 ILE 27 1HD1 ILE 27 2.611 -3.136 0.547 235 2HD1 ILE 27 2HD1 ILE 27 1.390 -1.878 0.741 236 3HD1 ILE 27 3HD1 ILE 27 0.936 -3.450 0.085 237 H ALA 28 H ALA 28 1.039 -1.644 6.537 238 HA ALA 28 HA ALA 28 -1.834 -1.670 5.852 239 1HB ALA 28 1HB ALA 28 -0.569 -1.330 8.577 240 2HB ALA 28 2HB ALA 28 -1.404 -2.771 7.997 241 3HB ALA 28 3HB ALA 28 -2.297 -1.268 8.225 242 H PHE 29 H PHE 29 -2.375 0.221 4.953 243 HA PHE 29 HA PHE 29 -1.046 2.626 5.986 244 1HB PHE 29 2HB PHE 29 -1.156 3.588 3.691 245 2HB PHE 29 1HB PHE 29 -0.090 2.198 3.822 246 HD1 PHE 29 HD2 PHE 29 -0.643 0.099 2.752 247 HD2 PHE 29 HD1 PHE 29 -3.193 3.486 2.400 248 HE1 PHE 29 HE2 PHE 29 -1.805 -0.979 0.871 249 HE2 PHE 29 HE1 PHE 29 -4.357 2.418 0.515 250 HZ PHE 29 HZ PHE 29 -3.666 0.184 -0.252 251 H THR 30 H THR 30 -2.276 4.285 6.519 252 HA THR 30 HA THR 30 -5.163 4.058 6.150 253 HB THR 30 HB THR 30 -3.604 6.085 7.777 254 HG1 THR 30 HG1 THR 30 -4.951 4.372 9.297 255 1HG2 THR 30 1HG2 THR 30 -5.854 6.829 7.180 256 2HG2 THR 30 2HG2 THR 30 -5.753 6.459 8.901 257 3HG2 THR 30 3HG2 THR 30 -6.524 5.320 7.798 258 H LEU 31 H LEU 31 -5.755 4.781 4.198 259 HA LEU 31 HA LEU 31 -4.510 7.184 3.075 260 1HB LEU 31 2HB LEU 31 -5.012 4.946 1.822 261 2HB LEU 31 1HB LEU 31 -6.656 5.540 1.757 262 HG LEU 31 HG LEU 31 -4.255 6.936 0.560 263 1HD1 LEU 31 1HD1 LEU 31 -4.796 4.863 -0.604 264 2HD1 LEU 31 2HD1 LEU 31 -5.201 6.271 -1.586 265 3HD1 LEU 31 3HD1 LEU 31 -6.476 5.380 -0.756 266 1HD2 LEU 31 1HD2 LEU 31 -7.199 7.563 0.353 267 2HD2 LEU 31 2HD2 LEU 31 -5.907 8.364 -0.542 268 3HD2 LEU 31 3HD2 LEU 31 -5.988 8.515 1.213 269 H ASN 32 H ASN 32 -5.402 9.023 3.831 270 HA ASN 32 HA ASN 32 -8.119 9.108 4.718 271 1HB ASN 32 2HB ASN 32 -7.657 11.516 5.133 272 2HB ASN 32 1HB ASN 32 -6.517 10.441 5.921 273 1HD2 ASN 32 1HD2 ASN 32 -6.321 13.268 5.165 274 2HD2 ASN 32 2HD2 ASN 32 -4.909 13.391 4.169 275 H VAL 33 H VAL 33 -9.509 8.768 3.087 276 HA VAL 33 HA VAL 33 -9.363 9.858 0.516 277 HB VAL 33 HB VAL 33 -11.694 8.806 2.088 278 1HG1 VAL 33 1HG1 VAL 33 -11.682 9.711 -0.794 279 2HG1 VAL 33 2HG1 VAL 33 -12.598 10.441 0.524 280 3HG1 VAL 33 3HG1 VAL 33 -12.979 8.806 -0.016 281 1HG2 VAL 33 1HG2 VAL 33 -10.166 7.739 -0.275 282 2HG2 VAL 33 2HG2 VAL 33 -11.504 6.937 0.547 283 3HG2 VAL 33 3HG2 VAL 33 -9.984 7.213 1.400 284 H THR 34 H THR 34 -9.499 11.917 -0.063 285 HA THR 34 HA THR 34 -11.386 13.651 1.378 286 HB THR 34 HB THR 34 -9.923 15.561 0.644 287 HG1 THR 34 HG1 THR 34 -7.701 13.951 0.403 288 1HG2 THR 34 1HG2 THR 34 -8.657 13.514 2.470 289 2HG2 THR 34 2HG2 THR 34 -9.826 14.748 2.939 290 3HG2 THR 34 3HG2 THR 34 -8.218 15.220 2.389 291 H SER 35 H SER 35 -12.349 15.351 0.007 292 HA SER 35 HA SER 35 -13.422 14.214 -2.347 293 1HB SER 35 2HB SER 35 -13.597 17.086 -1.420 294 2HB SER 35 1HB SER 35 -14.691 16.270 -2.540 295 HG SER 35 HG SER 35 -15.211 16.466 -0.124 296 H GLU 36 H GLU 36 -10.423 15.355 -2.027 297 HA GLU 36 HA GLU 36 -10.197 17.011 -4.358 298 1HB GLU 36 2HB GLU 36 -7.978 15.545 -2.927 299 2HB GLU 36 1HB GLU 36 -7.834 16.969 -3.947 300 1HG GLU 36 2HG GLU 36 -9.077 16.803 -1.213 301 2HG GLU 36 1HG GLU 36 -7.597 17.642 -1.675 302 H THR 37 H THR 37 -10.119 13.620 -3.661 303 HA THR 37 HA THR 37 -9.972 12.962 -6.458 304 HB THR 37 HB THR 37 -7.577 13.271 -5.938 305 HG1 THR 37 HG1 THR 37 -8.415 10.590 -6.401 306 1HG2 THR 37 1HG2 THR 37 -6.448 11.679 -4.416 307 2HG2 THR 37 2HG2 THR 37 -8.028 11.079 -3.908 308 3HG2 THR 37 3HG2 THR 37 -7.569 12.749 -3.574 309 H TYR 38 H TYR 38 -11.686 12.603 -4.071 310 HA TYR 38 HA TYR 38 -11.439 10.012 -3.007 311 1HB TYR 38 2HB TYR 38 -13.411 10.451 -1.845 312 2HB TYR 38 1HB TYR 38 -12.735 12.052 -2.098 313 HD1 TYR 38 HD1 TYR 38 -13.655 13.404 -4.100 314 HD2 TYR 38 HD2 TYR 38 -15.578 9.967 -2.505 315 HE1 TYR 38 HE1 TYR 38 -15.763 14.104 -5.155 316 HE2 TYR 38 HE2 TYR 38 -17.686 10.651 -3.551 317 HH TYR 38 HH TYR 38 -18.759 12.722 -4.368 318 H HIS 39 H HIS 39 -13.022 11.217 -5.886 319 HA HIS 39 HA HIS 39 -14.849 9.042 -6.148 320 1HB HIS 39 2HB HIS 39 -15.208 11.282 -7.156 321 2HB HIS 39 1HB HIS 39 -13.887 10.966 -8.273 322 HD1 HIS 39 HD1 HIS 39 -17.390 9.757 -7.456 323 HD2 HIS 39 HD2 HIS 39 -14.580 9.562 -10.523 324 HE1 HIS 39 HE1 HIS 39 -18.585 8.725 -9.413 325 HE2 HIS 39 HE2 HIS 39 -16.942 8.872 -11.314 326 H ASP 40 H ASP 40 -11.542 9.508 -7.020 327 HA ASP 40 HA ASP 40 -11.472 7.360 -8.947 328 1HB ASP 40 2HB ASP 40 -9.917 9.372 -8.929 329 2HB ASP 40 1HB ASP 40 -9.124 8.645 -7.537 330 H ILE 41 H ILE 41 -10.569 7.884 -5.592 331 HA ILE 41 HA ILE 41 -9.566 5.238 -5.149 332 HB ILE 41 HB ILE 41 -10.511 7.200 -3.046 333 1HG1 ILE 41 2HG1 ILE 41 -7.750 7.010 -4.270 334 2HG1 ILE 41 1HG1 ILE 41 -8.932 8.245 -4.688 335 1HG2 ILE 41 1HG2 ILE 41 -8.849 6.089 -1.635 336 2HG2 ILE 41 2HG2 ILE 41 -8.428 5.016 -2.970 337 3HG2 ILE 41 3HG2 ILE 41 -10.035 4.936 -2.249 338 1HD1 ILE 41 1HD1 ILE 41 -8.904 9.064 -2.403 339 2HD1 ILE 41 2HD1 ILE 41 -7.286 9.077 -3.109 340 3HD1 ILE 41 3HD1 ILE 41 -7.740 7.815 -1.963 341 H ALA 42 H ALA 42 -12.680 6.640 -5.294 342 HA ALA 42 HA ALA 42 -14.026 4.686 -3.676 343 1HB ALA 42 1HB ALA 42 -14.975 6.920 -4.067 344 2HB ALA 42 2HB ALA 42 -16.074 5.629 -4.550 345 3HB ALA 42 3HB ALA 42 -15.172 6.521 -5.776 346 H VAL 43 H VAL 43 -12.514 4.556 -6.611 347 HA VAL 43 HA VAL 43 -14.152 2.291 -7.509 348 HB VAL 43 HB VAL 43 -11.823 3.570 -8.957 349 1HG1 VAL 43 1HG1 VAL 43 -13.991 1.705 -9.908 350 2HG1 VAL 43 2HG1 VAL 43 -12.300 1.285 -9.638 351 3HG1 VAL 43 3HG1 VAL 43 -12.731 2.421 -10.914 352 1HG2 VAL 43 1HG2 VAL 43 -13.578 5.220 -8.694 353 2HG2 VAL 43 2HG2 VAL 43 -14.774 4.078 -9.306 354 3HG2 VAL 43 3HG2 VAL 43 -13.500 4.676 -10.370 355 H LEU 44 H LEU 44 -10.925 3.276 -6.530 356 HA LEU 44 HA LEU 44 -10.000 0.519 -6.398 357 1HB LEU 44 2HB LEU 44 -8.702 3.196 -5.994 358 2HB LEU 44 1HB LEU 44 -7.919 1.737 -5.427 359 HG LEU 44 HG LEU 44 -6.998 2.337 -7.562 360 1HD1 LEU 44 1HD1 LEU 44 -8.862 -0.008 -7.818 361 2HD1 LEU 44 2HD1 LEU 44 -7.241 -0.026 -7.124 362 3HD1 LEU 44 3HD1 LEU 44 -7.461 0.308 -8.841 363 1HD2 LEU 44 1HD2 LEU 44 -9.823 2.254 -8.613 364 2HD2 LEU 44 2HD2 LEU 44 -8.369 2.436 -9.593 365 3HD2 LEU 44 3HD2 LEU 44 -8.815 3.690 -8.437 366 H LEU 45 H LEU 45 -11.263 -0.360 -4.731 367 HA LEU 45 HA LEU 45 -10.673 0.626 -2.082 368 1HB LEU 45 2HB LEU 45 -12.973 0.654 -1.369 369 2HB LEU 45 1HB LEU 45 -12.770 1.735 -2.728 370 HG LEU 45 HG LEU 45 -13.614 -0.488 -4.023 371 1HD1 LEU 45 1HD1 LEU 45 -14.977 -0.524 -1.334 372 2HD1 LEU 45 2HD1 LEU 45 -13.943 -1.787 -1.999 373 3HD1 LEU 45 3HD1 LEU 45 -15.495 -1.430 -2.755 374 1HD2 LEU 45 1HD2 LEU 45 -15.805 0.576 -4.096 375 2HD2 LEU 45 2HD2 LEU 45 -14.516 1.770 -4.257 376 3HD2 LEU 45 3HD2 LEU 45 -15.366 1.588 -2.722 377 H TYR 46 H TYR 46 -9.695 -1.008 -1.314 378 HA TYR 46 HA TYR 46 -9.557 -2.898 -0.041 379 1HB TYR 46 2HB TYR 46 -12.328 -2.640 -0.427 380 2HB TYR 46 1HB TYR 46 -11.952 -4.307 -0.844 381 HD1 TYR 46 HD2 TYR 46 -10.975 -1.853 1.811 382 HD2 TYR 46 HD1 TYR 46 -12.176 -5.822 0.860 383 HE1 TYR 46 HE2 TYR 46 -10.943 -2.424 4.201 384 HE2 TYR 46 HE1 TYR 46 -12.151 -6.404 3.255 385 HH TYR 46 HH TYR 46 -11.172 -5.660 5.319 386 H GLU 47 H GLU 47 -11.437 -4.022 -2.871 387 HA GLU 47 HA GLU 47 -11.136 -5.848 -4.210 388 1HB GLU 47 2HB GLU 47 -8.342 -4.696 -4.357 389 2HB GLU 47 1HB GLU 47 -9.056 -5.805 -5.519 390 1HG GLU 47 2HG GLU 47 -10.023 -3.006 -4.938 391 2HG GLU 47 1HG GLU 47 -9.055 -3.494 -6.329 392 H LYS 48 H LYS 48 -8.044 -6.750 -4.269 393 HA LYS 48 HA LYS 48 -7.517 -7.741 -1.710 394 1HB LYS 48 2HB LYS 48 -7.743 -10.157 -2.064 395 2HB LYS 48 1HB LYS 48 -9.286 -9.325 -2.080 396 1HG LYS 48 2HG LYS 48 -9.165 -9.409 -4.601 397 2HG LYS 48 1HG LYS 48 -7.793 -10.506 -4.399 398 1HD LYS 48 2HD LYS 48 -9.259 -11.931 -2.953 399 2HD LYS 48 1HD LYS 48 -10.610 -10.893 -3.404 400 1HE LYS 48 2HE LYS 48 -10.597 -12.896 -4.768 401 2HE LYS 48 1HE LYS 48 -10.259 -11.479 -5.760 402 1HZ LYS 48 1HZ LYS 48 -8.829 -13.505 -6.150 403 2HZ LYS 48 2HZ LYS 48 -8.094 -13.173 -4.654 404 3HZ LYS 48 3HZ LYS 48 -8.013 -12.041 -5.917 405 H THR 49 H THR 49 -6.947 -8.535 -5.155 406 HA THR 49 HA THR 49 -4.169 -9.125 -4.500 407 HB THR 49 HB THR 49 -4.007 -9.680 -6.958 408 HG1 THR 49 HG1 THR 49 -5.835 -8.431 -7.622 409 1HG2 THR 49 1HG2 THR 49 -5.223 -11.800 -6.734 410 2HG2 THR 49 2HG2 THR 49 -6.082 -11.158 -5.334 411 3HG2 THR 49 3HG2 THR 49 -4.339 -11.408 -5.258 412 H PHE 50 H PHE 50 -2.746 -7.538 -4.451 413 HA PHE 50 HA PHE 50 -2.893 -5.454 -6.524 414 1HB PHE 50 2HB PHE 50 -2.155 -5.108 -3.610 415 2HB PHE 50 1HB PHE 50 -1.866 -3.888 -4.843 416 HD1 PHE 50 HD2 PHE 50 -3.760 -2.775 -5.944 417 HD2 PHE 50 HD1 PHE 50 -4.310 -5.445 -2.676 418 HE1 PHE 50 HE2 PHE 50 -6.021 -1.877 -5.596 419 HE2 PHE 50 HE1 PHE 50 -6.566 -4.560 -2.330 420 HZ PHE 50 HZ PHE 50 -7.430 -2.769 -3.785 421 H ASN 51 H ASN 51 -1.141 -5.468 -7.795 422 HA ASN 51 HA ASN 51 1.297 -6.725 -6.916 423 1HB ASN 51 2HB ASN 51 2.225 -5.869 -9.110 424 2HB ASN 51 1HB ASN 51 0.884 -6.994 -9.238 425 1HD2 ASN 51 1HD2 ASN 51 2.053 -4.666 -10.881 426 2HD2 ASN 51 2HD2 ASN 51 0.643 -3.775 -11.337 427 H VAL 52 H VAL 52 2.390 -5.752 -5.416 428 HA VAL 52 HA VAL 52 2.414 -2.866 -5.184 429 HB VAL 52 HB VAL 52 3.769 -4.964 -3.471 430 1HG1 VAL 52 1HG1 VAL 52 3.253 -2.048 -2.904 431 2HG1 VAL 52 2HG1 VAL 52 4.819 -2.758 -3.296 432 3HG1 VAL 52 3HG1 VAL 52 3.993 -3.212 -1.806 433 1HG2 VAL 52 1HG2 VAL 52 1.152 -3.510 -3.084 434 2HG2 VAL 52 2HG2 VAL 52 1.925 -4.549 -1.885 435 3HG2 VAL 52 3HG2 VAL 52 1.361 -5.232 -3.411 436 H GLU 53 H GLU 53 3.651 -2.017 -6.762 437 HA GLU 53 HA GLU 53 6.445 -2.919 -6.893 438 1HB GLU 53 2HB GLU 53 4.769 -1.544 -9.006 439 2HB GLU 53 1HB GLU 53 6.487 -1.890 -9.167 440 1HG GLU 53 2HG GLU 53 6.018 -4.285 -8.983 441 2HG GLU 53 1HG GLU 53 4.298 -3.933 -8.829 442 H VAL 54 H VAL 54 7.826 -1.704 -6.012 443 HA VAL 54 HA VAL 54 7.295 1.160 -5.799 444 HB VAL 54 HB VAL 54 6.522 0.226 -3.724 445 1HG1 VAL 54 1HG1 VAL 54 7.971 -1.011 -2.198 446 2HG1 VAL 54 2HG1 VAL 54 9.233 -1.040 -3.429 447 3HG1 VAL 54 3HG1 VAL 54 7.708 -1.881 -3.709 448 1HG2 VAL 54 1HG2 VAL 54 7.938 1.426 -2.149 449 2HG2 VAL 54 2HG2 VAL 54 7.654 2.354 -3.622 450 3HG2 VAL 54 3HG2 VAL 54 9.197 1.536 -3.379 451 HA PRO 55 HA PRO 55 11.484 0.876 -7.482 452 1HB PRO 55 2HB PRO 55 11.058 3.802 -7.615 453 2HB PRO 55 1HB PRO 55 11.539 2.677 -8.888 454 1HG PRO 55 2HG PRO 55 9.084 3.718 -8.846 455 2HG PRO 55 1HG PRO 55 9.360 2.036 -9.333 456 1HD PRO 55 2HD PRO 55 8.344 3.110 -6.730 457 2HD PRO 55 1HD PRO 55 7.805 1.690 -7.652 458 H GLU 56 H GLU 56 10.216 2.793 -4.881 459 HA GLU 56 HA GLU 56 12.583 3.968 -3.928 460 1HB GLU 56 2HB GLU 56 10.276 3.051 -2.210 461 2HB GLU 56 1HB GLU 56 11.392 4.373 -1.892 462 1HG GLU 56 2HG GLU 56 9.373 4.297 -4.121 463 2HG GLU 56 1HG GLU 56 9.169 5.139 -2.588 464 H ARG 57 H ARG 57 11.255 0.762 -3.596 465 HA ARG 57 HA ARG 57 13.515 0.020 -1.865 466 1HB ARG 57 2HB ARG 57 10.776 -1.255 -1.995 467 2HB ARG 57 1HB ARG 57 12.094 -1.752 -0.946 468 1HG ARG 57 2HG ARG 57 10.624 0.874 -0.844 469 2HG ARG 57 1HG ARG 57 10.469 -0.465 0.295 470 1HD ARG 57 2HD ARG 57 12.912 1.230 -0.198 471 2HD ARG 57 1HD ARG 57 11.895 1.226 1.243 472 HE ARG 57 HE ARG 57 12.977 -1.359 0.689 473 1HH1 ARG 57 1HH1 ARG 57 13.761 1.764 2.068 474 2HH1 ARG 57 2HH1 ARG 57 14.981 1.132 3.133 475 1HH2 ARG 57 1HH2 ARG 57 14.573 -2.189 2.113 476 2HH2 ARG 57 2HH2 ARG 57 15.442 -1.100 3.149 477 H ASP 58 H ASP 58 12.643 -0.063 -4.930 478 HA ASP 58 HA ASP 58 12.998 -1.362 -6.763 479 1HB ASP 58 2HB ASP 58 15.306 -1.318 -5.771 480 2HB ASP 58 1HB ASP 58 14.949 -2.850 -4.987 481 H LEU 59 H LEU 59 10.858 -2.072 -5.003 482 HA LEU 59 HA LEU 59 10.907 -5.002 -4.968 483 1HB LEU 59 2HB LEU 59 9.858 -2.991 -3.210 484 2HB LEU 59 1HB LEU 59 8.560 -4.044 -3.737 485 HG LEU 59 HG LEU 59 11.116 -5.001 -2.444 486 1HD1 LEU 59 1HD1 LEU 59 8.355 -4.632 -1.294 487 2HD1 LEU 59 2HD1 LEU 59 9.786 -3.680 -0.897 488 3HD1 LEU 59 3HD1 LEU 59 9.718 -5.392 -0.473 489 1HD2 LEU 59 1HD2 LEU 59 9.919 -7.121 -2.235 490 2HD2 LEU 59 2HD2 LEU 59 10.065 -6.646 -3.927 491 3HD2 LEU 59 3HD2 LEU 59 8.534 -6.431 -3.080 492 H ALA 60 H ALA 60 9.506 -6.212 -6.061 493 HA ALA 60 HA ALA 60 7.147 -5.009 -7.283 494 1HB ALA 60 1HB ALA 60 9.154 -6.675 -8.813 495 2HB ALA 60 2HB ALA 60 8.821 -4.961 -9.062 496 3HB ALA 60 3HB ALA 60 7.579 -6.162 -9.420 497 H PHE 61 H PHE 61 5.898 -6.110 -5.784 498 HA PHE 61 HA PHE 61 5.963 -9.046 -5.938 499 1HB PHE 61 2HB PHE 61 7.281 -8.134 -3.974 500 2HB PHE 61 1HB PHE 61 5.759 -7.519 -3.349 501 HD1 PHE 61 HD1 PHE 61 7.637 -10.566 -4.178 502 HD2 PHE 61 HD2 PHE 61 4.223 -8.928 -2.241 503 HE1 PHE 61 HE1 PHE 61 7.239 -12.723 -3.070 504 HE2 PHE 61 HE2 PHE 61 3.812 -11.085 -1.134 505 HZ PHE 61 HZ PHE 61 5.322 -12.986 -1.546 506 H ARG 62 H ARG 62 3.994 -9.929 -6.041 507 HA ARG 62 HA ARG 62 1.704 -8.142 -5.927 508 1HB ARG 62 2HB ARG 62 2.122 -9.835 -7.811 509 2HB ARG 62 1HB ARG 62 1.615 -11.063 -6.659 510 1HG ARG 62 2HG ARG 62 -0.120 -8.695 -7.272 511 2HG ARG 62 1HG ARG 62 -0.122 -10.127 -8.298 512 1HD ARG 62 2HD ARG 62 -0.520 -10.368 -5.339 513 2HD ARG 62 1HD ARG 62 -1.865 -9.922 -6.388 514 HE ARG 62 HE ARG 62 -1.002 -12.111 -7.619 515 1HH1 ARG 62 1HH1 ARG 62 -1.501 -11.541 -4.194 516 2HH1 ARG 62 2HH1 ARG 62 -1.947 -13.189 -3.849 517 1HH2 ARG 62 1HH2 ARG 62 -1.610 -14.260 -7.179 518 2HH2 ARG 62 2HH2 ARG 62 -2.028 -14.731 -5.555 519 H GLY 63 H GLY 63 0.910 -7.801 -3.984 520 1HA GLY 63 2HA GLY 63 0.847 -9.997 -2.041 521 2HA GLY 63 1HA GLY 63 0.573 -8.294 -1.688 522 H GLU 64 H GLU 64 -1.165 -10.095 -0.666 523 HA GLU 64 HA GLU 64 -3.580 -9.467 -2.176 524 1HB GLU 64 2HB GLU 64 -4.446 -11.783 -1.721 525 2HB GLU 64 1HB GLU 64 -3.148 -11.693 -2.895 526 1HG GLU 64 2HG GLU 64 -1.557 -12.394 -1.156 527 2HG GLU 64 1HG GLU 64 -2.901 -12.547 -0.021 528 H MET 65 H MET 65 -4.646 -8.201 -0.827 529 HA MET 65 HA MET 65 -4.422 -8.437 2.012 530 1HB MET 65 2HB MET 65 -6.032 -6.644 2.139 531 2HB MET 65 1HB MET 65 -4.867 -6.275 0.880 532 1HG MET 65 2HG MET 65 -6.676 -5.744 -0.309 533 2HG MET 65 1HG MET 65 -6.807 -7.484 -0.561 534 1HE MET 65 1HE MET 65 -7.986 -4.428 1.545 535 2HE MET 65 2HE MET 65 -7.384 -5.536 2.779 536 3HE MET 65 3HE MET 65 -9.109 -5.173 2.684 537 H THR 66 H THR 66 -5.444 -9.782 3.279 538 HA THR 66 HA THR 66 -7.557 -11.431 2.074 539 HB THR 66 HB THR 66 -6.826 -13.189 3.634 540 HG1 THR 66 HG1 THR 66 -4.534 -11.740 4.347 541 1HG2 THR 66 1HG2 THR 66 -5.744 -13.040 1.438 542 2HG2 THR 66 2HG2 THR 66 -4.603 -13.600 2.663 543 3HG2 THR 66 3HG2 THR 66 -4.547 -11.924 2.103 544 H ASN 67 H ASN 67 -7.503 -8.851 3.778 545 HA ASN 67 HA ASN 67 -8.816 -9.644 6.232 546 1HB ASN 67 2HB ASN 67 -8.405 -6.854 5.142 547 2HB ASN 67 1HB ASN 67 -8.729 -7.310 6.812 548 1HD2 ASN 67 1HD2 ASN 67 -7.071 -8.049 8.093 549 2HD2 ASN 67 2HD2 ASN 67 -5.415 -7.967 7.592 550 H TYR 68 H TYR 68 -10.940 -9.898 6.434 551 HA TYR 68 HA TYR 68 -12.774 -9.225 4.355 552 1HB TYR 68 2HB TYR 68 -13.226 -11.115 5.827 553 2HB TYR 68 1HB TYR 68 -13.236 -10.055 7.232 554 HD1 TYR 68 HD2 TYR 68 -14.974 -10.473 3.953 555 HD2 TYR 68 HD1 TYR 68 -15.281 -9.318 8.037 556 HE1 TYR 68 HE2 TYR 68 -17.387 -10.117 3.665 557 HE2 TYR 68 HE1 TYR 68 -17.697 -8.958 7.761 558 HH TYR 68 HH TYR 68 -19.296 -8.492 5.964 559 H SER 69 H SER 69 -14.515 -7.691 4.499 560 HA SER 69 HA SER 69 -13.818 -5.102 5.032 561 1HB SER 69 2HB SER 69 -16.653 -6.121 5.221 562 2HB SER 69 1HB SER 69 -16.102 -4.545 4.650 563 HG SER 69 HG SER 69 -16.685 -6.198 3.010 564 H THR 70 H THR 70 -12.977 -4.572 6.981 565 HA THR 70 HA THR 70 -14.794 -4.730 9.295 566 HB THR 70 HB THR 70 -11.806 -5.169 9.503 567 HG1 THR 70 HG1 THR 70 -12.862 -6.909 8.372 568 1HG2 THR 70 1HG2 THR 70 -12.363 -6.003 11.749 569 2HG2 THR 70 2HG2 THR 70 -14.062 -5.622 11.466 570 3HG2 THR 70 3HG2 THR 70 -12.868 -4.327 11.540 571 H SER 71 H SER 71 -12.196 -3.092 7.607 572 HA SER 71 HA SER 71 -12.033 -0.935 9.493 573 1HB SER 71 2HB SER 71 -10.661 0.074 7.529 574 2HB SER 71 1HB SER 71 -10.019 -1.316 8.399 575 HG SER 71 HG SER 71 -9.898 -1.539 6.103 576 H LEU 72 H LEU 72 -13.552 0.581 9.644 577 HA LEU 72 HA LEU 72 -15.489 0.865 7.531 578 1HB LEU 72 2HB LEU 72 -16.710 2.321 9.084 579 2HB LEU 72 1HB LEU 72 -16.340 0.755 9.772 580 HG LEU 72 HG LEU 72 -14.640 3.167 10.383 581 1HD1 LEU 72 1HD1 LEU 72 -16.931 3.761 10.935 582 2HD1 LEU 72 2HD1 LEU 72 -15.989 3.491 12.401 583 3HD1 LEU 72 3HD1 LEU 72 -17.122 2.261 11.840 584 1HD2 LEU 72 1HD2 LEU 72 -15.193 0.615 11.900 585 2HD2 LEU 72 2HD2 LEU 72 -14.110 1.914 12.403 586 3HD2 LEU 72 3HD2 LEU 72 -13.738 0.962 10.966 587 H THR 73 H THR 73 -14.346 1.830 5.884 588 HA THR 73 HA THR 73 -13.651 4.656 6.274 589 HB THR 73 HB THR 73 -13.275 2.946 3.801 590 HG1 THR 73 HG1 THR 73 -11.402 3.644 5.844 591 1HG2 THR 73 1HG2 THR 73 -12.112 5.633 4.580 592 2HG2 THR 73 2HG2 THR 73 -13.310 5.344 3.320 593 3HG2 THR 73 3HG2 THR 73 -11.673 4.716 3.140 594 H ASN 74 H ASN 74 -15.243 2.711 3.780 595 HA ASN 74 HA ASN 74 -17.755 3.905 3.949 596 1HB ASN 74 2HB ASN 74 -17.701 5.102 1.690 597 2HB ASN 74 1HB ASN 74 -16.957 5.931 3.049 598 1HD2 ASN 74 1HD2 ASN 74 -15.722 7.210 1.699 599 2HD2 ASN 74 2HD2 ASN 74 -14.358 6.596 0.833 600 H LEU 75 H LEU 75 -15.469 2.654 1.548 601 HA LEU 75 HA LEU 75 -15.353 0.688 0.453 602 1HB LEU 75 2HB LEU 75 -17.497 -0.157 2.394 603 2HB LEU 75 1HB LEU 75 -16.621 -1.242 1.333 604 HG LEU 75 HG LEU 75 -15.386 0.420 3.531 605 1HD1 LEU 75 1HD1 LEU 75 -16.764 -1.397 4.396 606 2HD1 LEU 75 2HD1 LEU 75 -15.050 -1.715 4.666 607 3HD1 LEU 75 3HD1 LEU 75 -15.907 -2.545 3.367 608 1HD2 LEU 75 1HD2 LEU 75 -14.174 -1.646 1.696 609 2HD2 LEU 75 2HD2 LEU 75 -13.362 -0.897 3.070 610 3HD2 LEU 75 3HD2 LEU 75 -13.841 0.085 1.684 611 H TYR 76 H TYR 76 -17.740 2.742 -0.012 612 HA TYR 76 HA TYR 76 -18.547 1.851 -2.492 613 1HB TYR 76 2HB TYR 76 -19.641 -0.002 -1.192 614 2HB TYR 76 1HB TYR 76 -20.663 1.205 -0.425 615 HD1 TYR 76 HD2 TYR 76 -19.638 0.219 -3.885 616 HD2 TYR 76 HD1 TYR 76 -22.786 1.437 -1.293 617 HE1 TYR 76 HE2 TYR 76 -21.235 0.017 -5.743 618 HE2 TYR 76 HE1 TYR 76 -24.393 1.238 -3.143 619 HH TYR 76 HH TYR 76 -24.498 1.176 -5.502 620 H GLU 77 H GLU 77 -19.773 3.364 0.449 621 HA GLU 77 HA GLU 77 -21.377 5.261 -1.004 622 1HB GLU 77 2HB GLU 77 -20.729 5.109 1.942 623 2HB GLU 77 1HB GLU 77 -22.000 6.067 1.205 624 1HG GLU 77 2HG GLU 77 -23.199 4.101 0.555 625 2HG GLU 77 1HG GLU 77 -21.871 3.069 1.084 626 HA PRO 78 HA PRO 78 -17.994 8.199 -1.415 627 1HB PRO 78 2HB PRO 78 -20.221 10.016 -2.121 628 2HB PRO 78 1HB PRO 78 -18.770 9.605 -3.040 629 1HG PRO 78 2HG PRO 78 -21.161 8.667 -3.761 630 2HG PRO 78 1HG PRO 78 -19.703 7.665 -3.900 631 1HD PRO 78 2HD PRO 78 -21.855 7.601 -1.814 632 2HD PRO 78 1HD PRO 78 -21.016 6.252 -2.610 633 H GLY 79 H GLY 79 -17.170 9.719 -0.059 634 1HA GLY 79 2HA GLY 79 -18.972 11.076 1.822 635 2HA GLY 79 1HA GLY 79 -17.620 10.149 2.458 636 H ALA 80 H ALA 80 -17.297 12.486 3.329 637 HA ALA 80 HA ALA 80 -15.973 14.212 1.384 638 1HB ALA 80 1HB ALA 80 -15.857 15.838 3.216 639 2HB ALA 80 2HB ALA 80 -16.523 14.640 4.323 640 3HB ALA 80 3HB ALA 80 -17.503 15.248 2.989 641 H VAL 81 H VAL 81 -15.211 13.030 4.645 642 HA VAL 81 HA VAL 81 -12.465 12.495 3.721 643 HB VAL 81 HB VAL 81 -13.398 13.332 6.472 644 1HG1 VAL 81 1HG1 VAL 81 -11.081 13.135 7.187 645 2HG1 VAL 81 2HG1 VAL 81 -10.605 12.583 5.581 646 3HG1 VAL 81 3HG1 VAL 81 -11.647 11.575 6.588 647 1HG2 VAL 81 1HG2 VAL 81 -13.161 15.139 4.872 648 2HG2 VAL 81 2HG2 VAL 81 -11.523 14.603 4.501 649 3HG2 VAL 81 3HG2 VAL 81 -11.906 15.222 6.107 650 H SER 82 H SER 82 -11.938 10.407 3.755 651 HA SER 82 HA SER 82 -13.224 8.712 5.732 652 1HB SER 82 2HB SER 82 -13.221 8.125 2.765 653 2HB SER 82 1HB SER 82 -13.782 7.009 4.009 654 HG SER 82 HG SER 82 -14.999 9.315 4.421 655 H GLU 83 H GLU 83 -11.578 7.790 6.808 656 HA GLU 83 HA GLU 83 -8.986 7.550 5.559 657 1HB GLU 83 2HB GLU 83 -9.985 6.839 8.314 658 2HB GLU 83 1HB GLU 83 -8.313 6.642 7.802 659 1HG GLU 83 2HG GLU 83 -8.101 9.009 7.429 660 2HG GLU 83 1HG GLU 83 -9.810 9.252 7.791 661 H PHE 84 H PHE 84 -8.807 5.962 4.095 662 HA PHE 84 HA PHE 84 -10.029 3.388 4.415 663 1HB PHE 84 2HB PHE 84 -8.387 4.712 2.362 664 2HB PHE 84 1HB PHE 84 -8.099 2.984 2.513 665 HD1 PHE 84 HD1 PHE 84 -10.366 1.550 2.664 666 HD2 PHE 84 HD2 PHE 84 -9.970 5.387 0.884 667 HE1 PHE 84 HE1 PHE 84 -12.358 1.112 1.288 668 HE2 PHE 84 HE2 PHE 84 -11.966 4.966 -0.486 669 HZ PHE 84 HZ PHE 84 -13.161 2.823 -0.296 670 H TYR 85 H TYR 85 -9.347 2.219 6.088 671 HA TYR 85 HA TYR 85 -6.493 1.877 6.547 672 1HB TYR 85 2HB TYR 85 -7.845 2.081 8.537 673 2HB TYR 85 1HB TYR 85 -8.932 0.812 7.991 674 HD1 TYR 85 HD2 TYR 85 -5.303 1.309 8.773 675 HD2 TYR 85 HD1 TYR 85 -8.672 -1.285 8.881 676 HE1 TYR 85 HE2 TYR 85 -3.967 -0.367 9.984 677 HE2 TYR 85 HE1 TYR 85 -7.361 -2.962 10.087 678 HH TYR 85 HH TYR 85 -4.873 -3.558 10.301 679 H ILE 86 H ILE 86 -5.849 0.835 4.688 680 HA ILE 86 HA ILE 86 -7.029 -1.832 4.227 681 HB ILE 86 HB ILE 86 -5.540 -0.199 2.169 682 1HG1 ILE 86 2HG1 ILE 86 -8.536 -0.478 2.528 683 2HG1 ILE 86 1HG1 ILE 86 -7.609 0.985 2.843 684 1HG2 ILE 86 1HG2 ILE 86 -5.587 -2.612 1.792 685 2HG2 ILE 86 2HG2 ILE 86 -6.576 -1.772 0.597 686 3HG2 ILE 86 3HG2 ILE 86 -7.346 -2.609 1.945 687 1HD1 ILE 86 1HD1 ILE 86 -8.744 1.106 0.703 688 2HD1 ILE 86 2HD1 ILE 86 -7.930 -0.364 0.172 689 3HD1 ILE 86 3HD1 ILE 86 -6.995 1.098 0.483 690 H GLU 87 H GLU 87 -5.706 -3.271 5.175 691 HA GLU 87 HA GLU 87 -2.821 -2.946 4.776 692 1HB GLU 87 2HB GLU 87 -2.563 -4.695 6.520 693 2HB GLU 87 1HB GLU 87 -3.386 -3.256 7.100 694 1HG GLU 87 2HG GLU 87 -5.502 -4.359 7.036 695 2HG GLU 87 1HG GLU 87 -4.795 -5.760 6.233 696 H ILE 88 H ILE 88 -1.641 -4.463 3.702 697 HA ILE 88 HA ILE 88 -3.189 -6.578 2.330 698 HB ILE 88 HB ILE 88 -0.848 -4.997 1.239 699 1HG1 ILE 88 2HG1 ILE 88 -3.774 -4.930 0.470 700 2HG1 ILE 88 1HG1 ILE 88 -2.941 -3.682 1.391 701 1HG2 ILE 88 1HG2 ILE 88 -1.355 -6.142 -0.876 702 2HG2 ILE 88 2HG2 ILE 88 -2.573 -7.110 -0.043 703 3HG2 ILE 88 3HG2 ILE 88 -0.872 -7.266 0.395 704 1HD1 ILE 88 1HD1 ILE 88 -3.198 -3.032 -0.926 705 2HD1 ILE 88 2HD1 ILE 88 -2.346 -4.485 -1.446 706 3HD1 ILE 88 3HD1 ILE 88 -1.494 -3.244 -0.529 707 H THR 89 H THR 89 -2.610 -8.486 3.033 708 HA THR 89 HA THR 89 -0.013 -9.030 4.135 709 HB THR 89 HB THR 89 -0.998 -11.450 4.033 710 HG1 THR 89 HG1 THR 89 -2.728 -10.776 2.567 711 1HG2 THR 89 1HG2 THR 89 -0.747 -10.133 6.085 712 2HG2 THR 89 2HG2 THR 89 -2.254 -11.049 6.094 713 3HG2 THR 89 3HG2 THR 89 -2.273 -9.319 5.753 714 H GLU 90 H GLU 90 1.717 -9.820 3.050 715 HA GLU 90 HA GLU 90 1.810 -9.999 0.266 716 1HB GLU 90 2HB GLU 90 4.018 -10.660 0.507 717 2HB GLU 90 1HB GLU 90 3.717 -9.855 2.039 718 1HG GLU 90 2HG GLU 90 3.384 -11.995 3.126 719 2HG GLU 90 1HG GLU 90 3.630 -12.824 1.589 720 H ILE 91 H ILE 91 1.968 -11.826 -1.139 721 HA ILE 91 HA ILE 91 0.069 -13.845 -0.632 722 HB ILE 91 HB ILE 91 0.710 -13.106 -2.914 723 1HG1 ILE 91 2HG1 ILE 91 0.859 -16.015 -2.172 724 2HG1 ILE 91 1HG1 ILE 91 -0.507 -15.114 -2.825 725 1HG2 ILE 91 1HG2 ILE 91 3.121 -12.932 -2.583 726 2HG2 ILE 91 2HG2 ILE 91 2.738 -13.961 -3.962 727 3HG2 ILE 91 3HG2 ILE 91 3.234 -14.685 -2.432 728 1HD1 ILE 91 1HD1 ILE 91 2.000 -15.871 -4.300 729 2HD1 ILE 91 2HD1 ILE 91 0.667 -14.924 -4.965 730 3HD1 ILE 91 3HD1 ILE 91 0.407 -16.603 -4.487 731 H ASP 92 H ASP 92 0.371 -16.076 -0.181 732 HA ASP 92 HA ASP 92 2.830 -16.528 1.334 733 1HB ASP 92 2HB ASP 92 0.202 -18.007 1.446 734 2HB ASP 92 1HB ASP 92 1.605 -18.368 2.439 735 H LYS 93 H LYS 93 3.643 -18.722 1.431 736 HA LYS 93 HA LYS 93 4.227 -19.749 -1.135 737 1HB LYS 93 2HB LYS 93 5.316 -21.606 0.248 738 2HB LYS 93 1HB LYS 93 5.934 -19.975 0.475 739 1HG LYS 93 2HG LYS 93 4.812 -19.734 2.544 740 2HG LYS 93 1HG LYS 93 3.824 -21.165 2.256 741 1HD LYS 93 2HD LYS 93 6.822 -21.294 2.507 742 2HD LYS 93 1HD LYS 93 5.743 -21.410 3.900 743 1HE LYS 93 2HE LYS 93 5.696 -23.212 1.484 744 2HE LYS 93 1HE LYS 93 6.402 -23.623 3.046 745 1HZ LYS 93 1HZ LYS 93 4.215 -23.434 4.054 746 2HZ LYS 93 2HZ LYS 93 4.168 -24.547 2.775 747 3HZ LYS 93 3HZ LYS 93 3.531 -22.994 2.569 748 H ASN 94 H ASN 94 1.650 -20.055 0.718 749 HA ASN 94 HA ASN 94 1.016 -22.830 0.202 750 1HB ASN 94 2HB ASN 94 -0.690 -20.714 1.529 751 2HB ASN 94 1HB ASN 94 -0.910 -22.453 1.603 752 1HD2 ASN 94 1HD2 ASN 94 -0.615 -20.570 3.771 753 2HD2 ASN 94 2HD2 ASN 94 0.778 -21.077 4.677 754 H ALA 95 H ALA 95 0.436 -19.715 -1.124 755 HA ALA 95 HA ALA 95 -1.878 -20.598 -2.659 756 1HB ALA 95 1HB ALA 95 -1.917 -18.336 -1.752 757 2HB ALA 95 2HB ALA 95 -1.931 -18.302 -3.515 758 3HB ALA 95 3HB ALA 95 -0.444 -17.943 -2.638 759 H ASP 96 H ASP 96 1.436 -19.454 -3.202 760 HA ASP 96 HA ASP 96 1.616 -21.160 -5.539 761 1HB ASP 96 2HB ASP 96 0.819 -19.017 -6.463 762 2HB ASP 96 1HB ASP 96 2.192 -18.189 -5.745 763 H SER 97 H SER 97 3.926 -21.048 -6.410 764 HA SER 97 HA SER 97 5.922 -20.390 -4.425 765 1HB SER 97 2HB SER 97 4.943 -22.589 -3.672 766 2HB SER 97 1HB SER 97 5.516 -23.294 -5.182 767 HG SER 97 HG SER 97 7.654 -22.445 -4.466 768 H LEU 98 H LEU 98 5.216 -19.884 -7.269 769 HA LEU 98 HA LEU 98 7.762 -20.750 -8.454 770 1HB LEU 98 2HB LEU 98 5.070 -20.556 -9.795 771 2HB LEU 98 1HB LEU 98 6.581 -20.742 -10.668 772 HG LEU 98 HG LEU 98 5.538 -22.716 -8.641 773 1HD1 LEU 98 1HD1 LEU 98 4.066 -22.625 -10.587 774 2HD1 LEU 98 2HD1 LEU 98 4.987 -24.129 -10.559 775 3HD1 LEU 98 3HD1 LEU 98 5.455 -22.828 -11.654 776 1HD2 LEU 98 1HD2 LEU 98 7.788 -22.901 -10.641 777 2HD2 LEU 98 2HD2 LEU 98 7.252 -24.190 -9.562 778 3HD2 LEU 98 3HD2 LEU 98 7.966 -22.721 -8.896 779 H GLU 99 H GLU 99 8.788 -18.868 -7.960 780 HA GLU 99 HA GLU 99 7.549 -16.329 -8.605 781 1HB GLU 99 2HB GLU 99 9.557 -15.343 -7.545 782 2HB GLU 99 1HB GLU 99 8.713 -16.475 -6.500 783 1HG GLU 99 2HG GLU 99 10.375 -18.204 -7.105 784 2HG GLU 99 1HG GLU 99 11.254 -16.985 -8.028 785 H HIS 100 H HIS 100 8.365 -14.797 -9.998 786 HA HIS 100 HA HIS 100 10.256 -15.792 -12.031 787 1HB HIS 100 2HB HIS 100 7.888 -15.650 -12.823 788 2HB HIS 100 1HB HIS 100 7.902 -13.930 -12.461 789 HD1 HIS 100 HD1 HIS 100 8.822 -12.386 -14.221 790 HD2 HIS 100 HD2 HIS 100 9.612 -16.394 -15.019 791 HE1 HIS 100 HE1 HIS 100 9.750 -12.447 -16.559 792 HE2 HIS 100 HE2 HIS 100 10.308 -14.867 -16.990 793 H HIS 101 H HIS 101 11.644 -14.219 -12.991 794 HA HIS 101 HA HIS 101 12.825 -12.280 -13.218 795 1HB HIS 101 2HB HIS 101 10.697 -11.038 -12.904 796 2HB HIS 101 1HB HIS 101 10.955 -11.068 -11.168 797 HD1 HIS 101 HD1 HIS 101 12.785 -9.777 -14.257 798 HD2 HIS 101 HD2 HIS 101 12.161 -8.835 -10.256 799 HE1 HIS 101 HE1 HIS 101 13.892 -7.547 -13.904 800 HE2 HIS 101 HE2 HIS 101 13.276 -6.892 -11.548 801 H HIS 102 H HIS 102 12.687 -14.272 -10.709 802 HA HIS 102 HA HIS 102 14.553 -12.888 -8.968 803 1HB HIS 102 2HB HIS 102 12.765 -14.353 -8.035 804 2HB HIS 102 1HB HIS 102 13.529 -15.734 -8.815 805 HD1 HIS 102 HD1 HIS 102 14.838 -17.059 -7.212 806 HD2 HIS 102 HD2 HIS 102 14.910 -12.995 -6.285 807 HE1 HIS 102 HE1 HIS 102 16.234 -16.853 -5.129 808 HE2 HIS 102 HE2 HIS 102 16.340 -14.382 -4.630 809 H HIS 103 H HIS 103 16.425 -12.641 -10.116 810 HA HIS 103 HA HIS 103 17.493 -14.902 -11.590 811 1HB HIS 103 2HB HIS 103 19.255 -13.243 -12.335 812 2HB HIS 103 1HB HIS 103 17.607 -12.894 -12.834 813 HD1 HIS 103 HD1 HIS 103 20.500 -11.368 -11.287 814 HD2 HIS 103 HD2 HIS 103 16.382 -10.791 -11.155 815 HE1 HIS 103 HE1 HIS 103 20.164 -9.062 -10.331 816 HE2 HIS 103 HE2 HIS 103 17.661 -8.804 -10.110 817 H HIS 104 H HIS 104 17.991 -16.239 -9.864 818 HA HIS 104 HA HIS 104 20.689 -16.366 -9.266 819 1HB HIS 104 2HB HIS 104 19.981 -14.442 -7.666 820 2HB HIS 104 1HB HIS 104 19.204 -15.710 -6.722 821 HD1 HIS 104 HD1 HIS 104 22.136 -13.852 -6.594 822 HD2 HIS 104 HD2 HIS 104 21.399 -17.945 -6.432 823 HE1 HIS 104 HE1 HIS 104 24.160 -14.867 -5.506 824 HE2 HIS 104 HE2 HIS 104 23.786 -17.355 -5.635 825 H HIS 105 H HIS 105 17.452 -17.075 -8.067 826 HA HIS 105 HA HIS 105 18.070 -19.926 -8.163 827 1HB HIS 105 2HB HIS 105 17.057 -18.436 -5.767 828 2HB HIS 105 1HB HIS 105 16.514 -20.084 -6.047 829 HD1 HIS 105 HD1 HIS 105 18.986 -18.306 -4.252 830 HD2 HIS 105 HD2 HIS 105 18.970 -21.851 -6.430 831 HE1 HIS 105 HE1 HIS 105 20.960 -19.627 -3.418 832 HE2 HIS 105 HE2 HIS 105 20.896 -21.798 -4.698 Start of MODEL 6 1 1H MET 1 1H MET 1 8.069 3.404 6.436 2 2H MET 1 2H MET 1 8.307 2.276 5.189 3 3H MET 1 3H MET 1 7.337 3.644 4.928 4 HA MET 1 HA MET 1 9.214 5.096 5.177 5 1HB MET 1 2HB MET 1 10.756 2.516 5.510 6 2HB MET 1 1HB MET 1 11.499 4.085 5.230 7 1HG MET 1 2HG MET 1 9.818 3.311 7.604 8 2HG MET 1 1HG MET 1 11.570 3.502 7.579 9 1HE MET 1 1HE MET 1 11.902 6.057 5.702 10 2HE MET 1 2HE MET 1 12.798 5.849 7.208 11 3HE MET 1 3HE MET 1 11.936 7.356 6.896 12 H VAL 2 H VAL 2 8.038 5.197 3.142 13 HA VAL 2 HA VAL 2 9.767 4.838 0.934 14 HB VAL 2 HB VAL 2 8.427 2.517 1.518 15 1HG1 VAL 2 1HG1 VAL 2 6.714 2.164 -0.166 16 2HG1 VAL 2 2HG1 VAL 2 6.845 3.851 -0.662 17 3HG1 VAL 2 3HG1 VAL 2 6.254 3.451 0.951 18 1HG2 VAL 2 1HG2 VAL 2 9.356 3.479 -1.179 19 2HG2 VAL 2 2HG2 VAL 2 9.063 1.795 -0.744 20 3HG2 VAL 2 3HG2 VAL 2 10.344 2.705 0.059 21 H LYS 3 H LYS 3 8.796 5.781 -1.041 22 HA LYS 3 HA LYS 3 6.201 7.051 -0.568 23 1HB LYS 3 2HB LYS 3 8.040 8.701 -0.132 24 2HB LYS 3 1HB LYS 3 8.510 8.532 -1.820 25 1HG LYS 3 2HG LYS 3 6.458 9.445 -2.580 26 2HG LYS 3 1HG LYS 3 5.750 9.359 -0.967 27 1HD LYS 3 2HD LYS 3 7.460 10.999 -0.202 28 2HD LYS 3 1HD LYS 3 7.993 11.156 -1.878 29 1HE LYS 3 2HE LYS 3 5.815 11.961 -2.537 30 2HE LYS 3 1HE LYS 3 5.187 11.689 -0.913 31 1HZ LYS 3 1HZ LYS 3 5.679 13.993 -1.150 32 2HZ LYS 3 2HZ LYS 3 7.245 13.666 -1.721 33 3HZ LYS 3 3HZ LYS 3 6.844 13.325 -0.111 34 H THR 4 H THR 4 8.649 6.045 -2.928 35 HA THR 4 HA THR 4 6.736 6.297 -5.082 36 HB THR 4 HB THR 4 9.453 4.976 -5.203 37 HG1 THR 4 HG1 THR 4 10.021 7.124 -6.104 38 1HG2 THR 4 1HG2 THR 4 9.307 5.490 -7.590 39 2HG2 THR 4 2HG2 THR 4 7.720 6.220 -7.347 40 3HG2 THR 4 3HG2 THR 4 7.942 4.490 -7.088 41 H LEU 5 H LEU 5 5.143 4.909 -4.131 42 HA LEU 5 HA LEU 5 5.766 2.060 -4.539 43 1HB LEU 5 2HB LEU 5 5.092 2.637 -2.222 44 2HB LEU 5 1HB LEU 5 3.575 3.266 -2.842 45 HG LEU 5 HG LEU 5 3.011 0.995 -3.679 46 1HD1 LEU 5 1HD1 LEU 5 4.299 -0.917 -2.857 47 2HD1 LEU 5 2HD1 LEU 5 5.494 0.185 -2.173 48 3HD1 LEU 5 3HD1 LEU 5 5.263 0.109 -3.920 49 1HD2 LEU 5 1HD2 LEU 5 2.199 1.798 -1.513 50 2HD2 LEU 5 2HD2 LEU 5 3.633 1.127 -0.734 51 3HD2 LEU 5 3HD2 LEU 5 2.470 0.055 -1.513 52 H ARG 6 H ARG 6 4.607 0.959 -6.027 53 HA ARG 6 HA ARG 6 2.393 2.402 -7.336 54 1HB ARG 6 2HB ARG 6 4.429 0.679 -8.763 55 2HB ARG 6 1HB ARG 6 3.186 1.688 -9.492 56 1HG ARG 6 2HG ARG 6 4.302 3.688 -8.731 57 2HG ARG 6 1HG ARG 6 5.508 2.725 -7.878 58 1HD ARG 6 2HD ARG 6 6.548 3.372 -9.875 59 2HD ARG 6 1HD ARG 6 6.054 1.707 -10.141 60 HE ARG 6 HE ARG 6 4.007 2.881 -11.226 61 1HH1 ARG 6 1HH1 ARG 6 7.355 3.876 -11.398 62 2HH1 ARG 6 2HH1 ARG 6 7.168 4.690 -12.921 63 1HH2 ARG 6 1HH2 ARG 6 3.761 3.911 -13.238 64 2HH2 ARG 6 2HH2 ARG 6 5.126 4.678 -13.992 65 H LEU 7 H LEU 7 0.635 1.193 -7.869 66 HA LEU 7 HA LEU 7 0.726 -1.642 -7.081 67 1HB LEU 7 2HB LEU 7 -1.666 0.185 -7.375 68 2HB LEU 7 1HB LEU 7 -1.724 -1.496 -6.880 69 HG LEU 7 HG LEU 7 -0.384 0.732 -5.344 70 1HD1 LEU 7 1HD1 LEU 7 -2.201 0.415 -3.734 71 2HD1 LEU 7 2HD1 LEU 7 -2.956 -0.752 -4.819 72 3HD1 LEU 7 3HD1 LEU 7 -2.807 0.936 -5.307 73 1HD2 LEU 7 1HD2 LEU 7 -0.183 -0.945 -3.556 74 2HD2 LEU 7 2HD2 LEU 7 0.744 -1.384 -4.990 75 3HD2 LEU 7 3HD2 LEU 7 -0.795 -2.179 -4.659 76 H ASN 8 H ASN 8 1.667 -2.249 -9.043 77 HA ASN 8 HA ASN 8 1.810 -2.866 -11.208 78 1HB ASN 8 2HB ASN 8 -0.279 -4.091 -10.733 79 2HB ASN 8 1HB ASN 8 -1.209 -2.671 -11.197 80 1HD2 ASN 8 1HD2 ASN 8 1.716 -3.621 -12.883 81 2HD2 ASN 8 2HD2 ASN 8 0.931 -4.118 -14.347 82 H ASN 9 H ASN 9 2.856 -0.863 -11.512 83 HA ASN 9 HA ASN 9 3.425 0.813 -12.920 84 1HB ASN 9 2HB ASN 9 2.209 -0.404 -14.683 85 2HB ASN 9 1HB ASN 9 0.726 0.429 -14.226 86 1HD2 ASN 9 1HD2 ASN 9 0.398 1.523 -16.092 87 2HD2 ASN 9 2HD2 ASN 9 1.469 2.750 -16.689 88 H VAL 10 H VAL 10 0.115 1.116 -11.631 89 HA VAL 10 HA VAL 10 0.189 3.967 -11.947 90 HB VAL 10 HB VAL 10 -1.991 3.946 -10.783 91 1HG1 VAL 10 1HG1 VAL 10 -3.239 2.786 -12.542 92 2HG1 VAL 10 2HG1 VAL 10 -1.754 1.984 -13.053 93 3HG1 VAL 10 3HG1 VAL 10 -1.906 3.736 -13.200 94 1HG2 VAL 10 1HG2 VAL 10 -1.599 0.962 -10.696 95 2HG2 VAL 10 2HG2 VAL 10 -3.099 1.809 -10.312 96 3HG2 VAL 10 3HG2 VAL 10 -1.668 2.048 -9.309 97 H THR 11 H THR 11 0.779 5.426 -10.488 98 HA THR 11 HA THR 11 2.227 4.439 -8.232 99 HB THR 11 HB THR 11 3.152 6.295 -9.522 100 HG1 THR 11 HG1 THR 11 2.426 7.296 -6.955 101 1HG2 THR 11 1HG2 THR 11 2.156 8.535 -9.437 102 2HG2 THR 11 2HG2 THR 11 0.770 7.881 -8.559 103 3HG2 THR 11 3HG2 THR 11 1.082 7.375 -10.218 104 H LEU 12 H LEU 12 1.874 4.985 -6.052 105 HA LEU 12 HA LEU 12 -0.962 5.131 -5.407 106 1HB LEU 12 2HB LEU 12 0.418 3.301 -4.536 107 2HB LEU 12 1HB LEU 12 1.448 4.461 -3.724 108 HG LEU 12 HG LEU 12 -0.540 5.163 -2.369 109 1HD1 LEU 12 1HD1 LEU 12 -1.781 2.702 -3.586 110 2HD1 LEU 12 2HD1 LEU 12 -2.300 4.367 -3.850 111 3HD1 LEU 12 3HD1 LEU 12 -2.440 3.643 -2.248 112 1HD2 LEU 12 1HD2 LEU 12 0.381 2.303 -2.200 113 2HD2 LEU 12 2HD2 LEU 12 -0.468 3.169 -0.919 114 3HD2 LEU 12 3HD2 LEU 12 1.129 3.706 -1.438 115 H GLU 13 H GLU 13 -1.685 6.385 -3.581 116 HA GLU 13 HA GLU 13 -0.122 8.828 -3.070 117 1HB GLU 13 2HB GLU 13 -2.066 9.294 -4.516 118 2HB GLU 13 1HB GLU 13 -3.131 8.548 -3.334 119 1HG GLU 13 2HG GLU 13 -3.329 10.895 -3.108 120 2HG GLU 13 1HG GLU 13 -2.430 10.307 -1.712 121 H MET 14 H MET 14 0.557 8.768 -1.011 122 HA MET 14 HA MET 14 -1.285 7.844 1.077 123 1HB MET 14 2HB MET 14 0.708 6.584 2.128 124 2HB MET 14 1HB MET 14 -0.103 5.833 0.752 125 1HG MET 14 2HG MET 14 1.660 6.688 -0.720 126 2HG MET 14 1HG MET 14 2.472 7.381 0.683 127 1HE MET 14 1HE MET 14 4.751 4.395 -0.326 128 2HE MET 14 2HE MET 14 4.655 6.130 -0.012 129 3HE MET 14 3HE MET 14 3.816 5.437 -1.401 130 H ALA 15 H ALA 15 0.274 7.906 3.216 131 HA ALA 15 HA ALA 15 1.822 10.363 3.284 132 1HB ALA 15 1HB ALA 15 -0.489 11.088 3.773 133 2HB ALA 15 2HB ALA 15 0.587 11.301 5.154 134 3HB ALA 15 3HB ALA 15 -0.542 9.946 5.117 135 H ALA 16 H ALA 16 0.318 7.878 5.352 136 HA ALA 16 HA ALA 16 2.975 7.443 6.533 137 1HB ALA 16 1HB ALA 16 1.331 8.301 8.139 138 2HB ALA 16 2HB ALA 16 1.875 6.676 8.555 139 3HB ALA 16 3HB ALA 16 0.295 6.913 7.809 140 H TYR 17 H TYR 17 3.470 6.007 4.792 141 HA TYR 17 HA TYR 17 2.233 3.481 4.517 142 1HB TYR 17 2HB TYR 17 3.870 4.459 2.896 143 2HB TYR 17 1HB TYR 17 5.135 4.258 4.091 144 HD1 TYR 17 HD1 TYR 17 2.620 2.289 2.159 145 HD2 TYR 17 HD2 TYR 17 6.429 2.343 4.055 146 HE1 TYR 17 HE1 TYR 17 3.116 0.074 1.217 147 HE2 TYR 17 HE2 TYR 17 6.929 0.127 3.121 148 HH TYR 17 HH TYR 17 5.721 -1.824 2.263 149 H GLN 18 H GLN 18 1.791 2.645 6.582 150 HA GLN 18 HA GLN 18 4.014 2.246 8.429 151 1HB GLN 18 2HB GLN 18 1.897 3.040 9.351 152 2HB GLN 18 1HB GLN 18 1.061 1.646 8.681 153 1HG GLN 18 2HG GLN 18 2.496 0.201 10.130 154 2HG GLN 18 1HG GLN 18 3.092 1.675 10.896 155 1HE2 GLN 18 1HE2 GLN 18 -0.179 1.306 9.754 156 2HE2 GLN 18 2HE2 GLN 18 -0.930 1.270 11.312 157 H GLU 19 H GLU 19 5.165 0.427 8.371 158 HA GLU 19 HA GLU 19 3.938 -1.910 7.090 159 1HB GLU 19 2HB GLU 19 6.111 -2.342 5.989 160 2HB GLU 19 1HB GLU 19 5.360 -0.838 5.466 161 1HG GLU 19 2HG GLU 19 6.827 0.404 7.000 162 2HG GLU 19 1HG GLU 19 7.607 -1.110 7.454 163 H GLU 20 H GLU 20 4.368 -3.848 7.912 164 HA GLU 20 HA GLU 20 6.560 -4.101 9.860 165 1HB GLU 20 2HB GLU 20 4.200 -4.165 10.883 166 2HB GLU 20 1HB GLU 20 3.992 -5.687 10.025 167 1HG GLU 20 2HG GLU 20 4.673 -5.926 12.403 168 2HG GLU 20 1HG GLU 20 5.758 -6.709 11.252 169 H SER 21 H SER 21 8.034 -5.089 8.728 170 HA SER 21 HA SER 21 7.269 -6.562 6.362 171 1HB SER 21 2HB SER 21 9.045 -4.836 6.343 172 2HB SER 21 1HB SER 21 10.010 -5.837 7.424 173 HG SER 21 HG SER 21 10.694 -6.233 5.356 174 H GLU 22 H GLU 22 8.000 -7.465 9.586 175 HA GLU 22 HA GLU 22 8.790 -10.087 8.551 176 1HB GLU 22 2HB GLU 22 10.207 -10.146 10.793 177 2HB GLU 22 1HB GLU 22 10.826 -9.675 9.236 178 1HG GLU 22 2HG GLU 22 10.295 -7.295 9.870 179 2HG GLU 22 1HG GLU 22 9.959 -7.907 11.492 180 HA PRO 23 HA PRO 23 6.271 -11.831 11.304 181 1HB PRO 23 2HB PRO 23 3.642 -11.090 11.126 182 2HB PRO 23 1HB PRO 23 4.693 -10.563 12.444 183 1HG PRO 23 2HG PRO 23 3.685 -9.043 10.120 184 2HG PRO 23 1HG PRO 23 4.224 -8.457 11.700 185 1HD PRO 23 2HD PRO 23 5.696 -8.454 9.260 186 2HD PRO 23 1HD PRO 23 6.278 -7.994 10.872 187 H LYS 24 H LYS 24 5.137 -10.027 8.618 188 HA LYS 24 HA LYS 24 5.600 -11.971 6.634 189 1HB LYS 24 2HB LYS 24 2.777 -10.981 7.180 190 2HB LYS 24 1HB LYS 24 3.285 -11.771 5.713 191 1HG LYS 24 2HG LYS 24 3.889 -13.768 7.168 192 2HG LYS 24 1HG LYS 24 2.995 -12.948 8.449 193 1HD LYS 24 2HD LYS 24 1.423 -14.394 7.487 194 2HD LYS 24 1HD LYS 24 1.066 -12.828 6.755 195 1HE LYS 24 2HE LYS 24 2.483 -13.495 4.817 196 2HE LYS 24 1HE LYS 24 2.631 -15.096 5.536 197 1HZ LYS 24 1HZ LYS 24 0.166 -15.250 5.441 198 2HZ LYS 24 2HZ LYS 24 0.909 -15.149 3.916 199 3HZ LYS 24 3HZ LYS 24 0.147 -13.788 4.577 200 H ARG 25 H ARG 25 4.809 -10.561 4.440 201 HA ARG 25 HA ARG 25 5.659 -7.849 4.942 202 1HB ARG 25 2HB ARG 25 4.644 -9.233 2.475 203 2HB ARG 25 1HB ARG 25 4.811 -7.484 2.521 204 1HG ARG 25 2HG ARG 25 6.812 -8.191 1.588 205 2HG ARG 25 1HG ARG 25 7.221 -7.938 3.284 206 1HD ARG 25 2HD ARG 25 6.761 -10.385 3.624 207 2HD ARG 25 1HD ARG 25 6.694 -10.538 1.875 208 HE ARG 25 HE ARG 25 9.083 -9.376 2.236 209 1HH1 ARG 25 1HH1 ARG 25 7.528 -12.116 3.737 210 2HH1 ARG 25 2HH1 ARG 25 9.011 -12.942 4.109 211 1HH2 ARG 25 1HH2 ARG 25 11.066 -10.440 2.709 212 2HH2 ARG 25 2HH2 ARG 25 11.038 -11.971 3.532 213 H LYS 26 H LYS 26 4.212 -7.115 6.502 214 HA LYS 26 HA LYS 26 1.402 -6.899 5.666 215 1HB LYS 26 2HB LYS 26 1.901 -7.996 7.860 216 2HB LYS 26 1HB LYS 26 2.590 -6.478 8.416 217 1HG LYS 26 2HG LYS 26 0.395 -5.394 8.065 218 2HG LYS 26 1HG LYS 26 -0.273 -6.966 7.625 219 1HD LYS 26 2HD LYS 26 0.426 -7.820 9.858 220 2HD LYS 26 1HD LYS 26 0.912 -6.178 10.285 221 1HE LYS 26 2HE LYS 26 -1.857 -7.118 9.561 222 2HE LYS 26 1HE LYS 26 -1.292 -6.623 11.154 223 1HZ LYS 26 1HZ LYS 26 -1.528 -4.884 8.754 224 2HZ LYS 26 2HZ LYS 26 -0.919 -4.388 10.266 225 3HZ LYS 26 3HZ LYS 26 -2.534 -4.862 10.117 226 H ILE 27 H ILE 27 1.002 -5.047 4.655 227 HA ILE 27 HA ILE 27 2.356 -2.642 5.670 228 HB ILE 27 HB ILE 27 2.164 -1.716 3.349 229 1HG1 ILE 27 2HG1 ILE 27 1.581 -4.605 2.636 230 2HG1 ILE 27 1HG1 ILE 27 0.433 -3.280 2.509 231 1HG2 ILE 27 1HG2 ILE 27 4.256 -2.564 4.247 232 2HG2 ILE 27 2HG2 ILE 27 4.128 -2.930 2.526 233 3HG2 ILE 27 3HG2 ILE 27 3.841 -4.196 3.721 234 1HD1 ILE 27 1HD1 ILE 27 1.846 -2.214 0.831 235 2HD1 ILE 27 2HD1 ILE 27 1.377 -3.845 0.345 236 3HD1 ILE 27 3HD1 ILE 27 3.000 -3.541 0.964 237 H ALA 28 H ALA 28 0.968 -1.554 6.811 238 HA ALA 28 HA ALA 28 -1.764 -1.166 5.781 239 1HB ALA 28 1HB ALA 28 -0.715 -0.866 8.599 240 2HB ALA 28 2HB ALA 28 -1.720 -2.184 7.995 241 3HB ALA 28 3HB ALA 28 -2.373 -0.549 8.086 242 H PHE 29 H PHE 29 -1.555 0.605 4.482 243 HA PHE 29 HA PHE 29 -0.159 2.904 5.652 244 1HB PHE 29 2HB PHE 29 0.198 3.641 3.241 245 2HB PHE 29 1HB PHE 29 1.147 2.277 3.811 246 HD1 PHE 29 HD1 PHE 29 -1.558 3.342 1.576 247 HD2 PHE 29 HD2 PHE 29 0.806 0.070 2.943 248 HE1 PHE 29 HE1 PHE 29 -2.289 2.006 -0.353 249 HE2 PHE 29 HE2 PHE 29 0.073 -1.267 1.015 250 HZ PHE 29 HZ PHE 29 -1.474 -0.300 -0.635 251 H THR 30 H THR 30 -0.963 4.944 5.361 252 HA THR 30 HA THR 30 -3.839 5.053 5.113 253 HB THR 30 HB THR 30 -3.149 7.609 5.565 254 HG1 THR 30 HG1 THR 30 -1.339 6.982 7.299 255 1HG2 THR 30 1HG2 THR 30 -3.497 7.110 7.945 256 2HG2 THR 30 2HG2 THR 30 -3.287 5.392 7.601 257 3HG2 THR 30 3HG2 THR 30 -4.647 6.271 6.904 258 H LEU 31 H LEU 31 -4.872 5.651 3.377 259 HA LEU 31 HA LEU 31 -3.350 6.907 1.230 260 1HB LEU 31 2HB LEU 31 -4.531 4.767 0.764 261 2HB LEU 31 1HB LEU 31 -6.050 5.555 1.134 262 HG LEU 31 HG LEU 31 -4.328 6.651 -1.058 263 1HD1 LEU 31 1HD1 LEU 31 -4.473 4.254 -1.499 264 2HD1 LEU 31 2HD1 LEU 31 -5.443 5.173 -2.649 265 3HD1 LEU 31 3HD1 LEU 31 -6.227 4.320 -1.319 266 1HD2 LEU 31 1HD2 LEU 31 -6.530 7.243 -1.992 267 2HD2 LEU 31 2HD2 LEU 31 -6.277 7.933 -0.390 268 3HD2 LEU 31 3HD2 LEU 31 -7.308 6.515 -0.584 269 H ASN 32 H ASN 32 -3.876 8.912 0.469 270 HA ASN 32 HA ASN 32 -5.294 10.591 2.272 271 1HB ASN 32 2HB ASN 32 -3.310 11.312 0.919 272 2HB ASN 32 1HB ASN 32 -4.337 11.288 -0.510 273 1HD2 ASN 32 1HD2 ASN 32 -3.643 12.871 2.500 274 2HD2 ASN 32 2HD2 ASN 32 -4.545 14.316 2.180 275 H VAL 33 H VAL 33 -7.417 9.991 2.382 276 HA VAL 33 HA VAL 33 -8.991 10.277 -0.070 277 HB VAL 33 HB VAL 33 -9.528 8.796 2.481 278 1HG1 VAL 33 1HG1 VAL 33 -11.558 10.045 2.174 279 2HG1 VAL 33 2HG1 VAL 33 -11.849 8.393 1.626 280 3HG1 VAL 33 3HG1 VAL 33 -11.575 9.681 0.452 281 1HG2 VAL 33 1HG2 VAL 33 -9.688 8.084 -0.447 282 2HG2 VAL 33 2HG2 VAL 33 -10.042 6.990 0.890 283 3HG2 VAL 33 3HG2 VAL 33 -8.410 7.625 0.679 284 H THR 34 H THR 34 -9.520 12.310 -0.347 285 HA THR 34 HA THR 34 -10.416 13.889 1.938 286 HB THR 34 HB THR 34 -10.447 15.744 0.144 287 HG1 THR 34 HG1 THR 34 -8.491 14.391 -1.255 288 1HG2 THR 34 1HG2 THR 34 -8.763 15.593 1.913 289 2HG2 THR 34 2HG2 THR 34 -8.037 16.121 0.394 290 3HG2 THR 34 3HG2 THR 34 -7.831 14.456 0.938 291 H SER 35 H SER 35 -12.264 15.439 1.313 292 HA SER 35 HA SER 35 -14.592 14.062 1.413 293 1HB SER 35 2HB SER 35 -14.448 16.381 2.032 294 2HB SER 35 1HB SER 35 -14.104 16.855 0.371 295 HG SER 35 HG SER 35 -16.156 16.632 -0.159 296 H GLU 36 H GLU 36 -13.191 15.356 -1.632 297 HA GLU 36 HA GLU 36 -15.676 14.843 -2.996 298 1HB GLU 36 2HB GLU 36 -13.069 15.728 -4.221 299 2HB GLU 36 1HB GLU 36 -14.685 15.911 -4.891 300 1HG GLU 36 2HG GLU 36 -13.580 17.287 -2.452 301 2HG GLU 36 1HG GLU 36 -13.908 18.018 -4.021 302 H THR 37 H THR 37 -12.796 13.029 -2.505 303 HA THR 37 HA THR 37 -13.459 11.334 -4.826 304 HB THR 37 HB THR 37 -11.087 10.453 -4.505 305 HG1 THR 37 HG1 THR 37 -9.749 11.542 -3.182 306 1HG2 THR 37 1HG2 THR 37 -11.689 11.963 -6.331 307 2HG2 THR 37 2HG2 THR 37 -10.077 12.329 -5.717 308 3HG2 THR 37 3HG2 THR 37 -11.445 13.353 -5.273 309 H TYR 38 H TYR 38 -14.050 11.485 -1.682 310 HA TYR 38 HA TYR 38 -12.918 9.188 -0.566 311 1HB TYR 38 2HB TYR 38 -13.844 9.927 1.345 312 2HB TYR 38 1HB TYR 38 -14.312 11.332 0.401 313 HD1 TYR 38 HD1 TYR 38 -16.625 11.611 -0.354 314 HD2 TYR 38 HD2 TYR 38 -15.472 8.290 2.043 315 HE1 TYR 38 HE1 TYR 38 -18.988 11.117 0.093 316 HE2 TYR 38 HE2 TYR 38 -17.828 7.790 2.497 317 HH TYR 38 HH TYR 38 -20.021 8.979 2.490 318 H HIS 39 H HIS 39 -16.089 9.608 -2.134 319 HA HIS 39 HA HIS 39 -16.929 6.985 -1.258 320 1HB HIS 39 2HB HIS 39 -18.385 9.137 -1.657 321 2HB HIS 39 1HB HIS 39 -18.430 8.558 -3.319 322 HD1 HIS 39 HD1 HIS 39 -20.085 8.181 -0.104 323 HD2 HIS 39 HD2 HIS 39 -19.561 5.836 -3.504 324 HE1 HIS 39 HE1 HIS 39 -21.820 6.372 0.046 325 HE2 HIS 39 HE2 HIS 39 -21.520 4.987 -2.040 326 H ASP 40 H ASP 40 -15.092 8.160 -3.787 327 HA ASP 40 HA ASP 40 -15.864 6.100 -5.686 328 1HB ASP 40 2HB ASP 40 -15.273 8.313 -6.555 329 2HB ASP 40 1HB ASP 40 -13.683 8.198 -5.807 330 H ILE 41 H ILE 41 -12.897 7.100 -4.010 331 HA ILE 41 HA ILE 41 -11.355 4.874 -4.705 332 HB ILE 41 HB ILE 41 -11.083 6.604 -2.238 333 1HG1 ILE 41 2HG1 ILE 41 -9.786 6.896 -4.958 334 2HG1 ILE 41 1HG1 ILE 41 -11.125 7.877 -4.377 335 1HG2 ILE 41 1HG2 ILE 41 -9.076 4.866 -3.664 336 2HG2 ILE 41 2HG2 ILE 41 -9.802 4.543 -2.091 337 3HG2 ILE 41 3HG2 ILE 41 -8.730 5.930 -2.299 338 1HD1 ILE 41 1HD1 ILE 41 -8.397 7.744 -3.117 339 2HD1 ILE 41 2HD1 ILE 41 -9.733 8.778 -2.612 340 3HD1 ILE 41 3HD1 ILE 41 -8.973 9.024 -4.184 341 H ALA 42 H ALA 42 -13.623 5.364 -2.066 342 HA ALA 42 HA ALA 42 -12.902 3.307 -0.352 343 1HB ALA 42 1HB ALA 42 -15.685 4.292 -0.964 344 2HB ALA 42 2HB ALA 42 -14.565 4.997 0.203 345 3HB ALA 42 3HB ALA 42 -15.199 3.373 0.462 346 H VAL 43 H VAL 43 -14.415 3.084 -3.461 347 HA VAL 43 HA VAL 43 -15.080 0.256 -2.991 348 HB VAL 43 HB VAL 43 -15.939 2.047 -5.274 349 1HG1 VAL 43 1HG1 VAL 43 -16.920 -0.696 -4.500 350 2HG1 VAL 43 2HG1 VAL 43 -15.853 -0.339 -5.859 351 3HG1 VAL 43 3HG1 VAL 43 -17.502 0.287 -5.844 352 1HG2 VAL 43 1HG2 VAL 43 -17.477 1.137 -2.845 353 2HG2 VAL 43 2HG2 VAL 43 -18.143 2.049 -4.199 354 3HG2 VAL 43 3HG2 VAL 43 -16.911 2.777 -3.167 355 H LEU 44 H LEU 44 -13.005 2.388 -4.756 356 HA LEU 44 HA LEU 44 -12.286 0.378 -6.717 357 1HB LEU 44 2HB LEU 44 -11.691 3.269 -6.329 358 2HB LEU 44 1HB LEU 44 -10.603 2.318 -7.320 359 HG LEU 44 HG LEU 44 -12.361 3.532 -8.610 360 1HD1 LEU 44 1HD1 LEU 44 -12.422 0.523 -8.743 361 2HD1 LEU 44 2HD1 LEU 44 -11.263 1.585 -9.544 362 3HD1 LEU 44 3HD1 LEU 44 -12.961 1.613 -10.020 363 1HD2 LEU 44 1HD2 LEU 44 -14.645 2.662 -8.570 364 2HD2 LEU 44 2HD2 LEU 44 -14.184 3.313 -6.995 365 3HD2 LEU 44 3HD2 LEU 44 -14.207 1.566 -7.256 366 H LEU 45 H LEU 45 -10.843 1.915 -3.897 367 HA LEU 45 HA LEU 45 -8.597 0.046 -4.156 368 1HB LEU 45 2HB LEU 45 -8.504 2.852 -3.027 369 2HB LEU 45 1HB LEU 45 -7.166 1.721 -3.062 370 HG LEU 45 HG LEU 45 -8.507 2.883 -5.507 371 1HD1 LEU 45 1HD1 LEU 45 -7.280 4.585 -4.281 372 2HD1 LEU 45 2HD1 LEU 45 -6.432 4.159 -5.769 373 3HD1 LEU 45 3HD1 LEU 45 -5.861 3.540 -4.221 374 1HD2 LEU 45 1HD2 LEU 45 -6.051 1.161 -5.197 375 2HD2 LEU 45 2HD2 LEU 45 -6.576 1.926 -6.697 376 3HD2 LEU 45 3HD2 LEU 45 -7.579 0.689 -5.941 377 H TYR 46 H TYR 46 -9.588 -1.409 -2.918 378 HA TYR 46 HA TYR 46 -9.179 -1.325 -0.150 379 1HB TYR 46 2HB TYR 46 -11.199 0.147 -0.203 380 2HB TYR 46 1HB TYR 46 -12.104 -1.169 -0.939 381 HD1 TYR 46 HD2 TYR 46 -10.178 -0.263 2.107 382 HD2 TYR 46 HD1 TYR 46 -13.169 -2.764 0.405 383 HE1 TYR 46 HE2 TYR 46 -10.713 -1.133 4.345 384 HE2 TYR 46 HE1 TYR 46 -13.718 -3.641 2.636 385 HH TYR 46 HH TYR 46 -12.656 -3.898 4.833 386 H GLU 47 H GLU 47 -10.700 -2.681 -2.953 387 HA GLU 47 HA GLU 47 -10.510 -5.362 -1.762 388 1HB GLU 47 2HB GLU 47 -12.253 -6.049 -3.350 389 2HB GLU 47 1HB GLU 47 -12.810 -4.787 -2.263 390 1HG GLU 47 2HG GLU 47 -12.756 -3.152 -3.959 391 2HG GLU 47 1HG GLU 47 -11.793 -4.180 -5.022 392 H LYS 48 H LYS 48 -10.428 -7.047 -3.635 393 HA LYS 48 HA LYS 48 -9.497 -7.972 -5.478 394 1HB LYS 48 2HB LYS 48 -8.715 -5.180 -6.304 395 2HB LYS 48 1HB LYS 48 -8.677 -6.615 -7.315 396 1HG LYS 48 2HG LYS 48 -11.158 -6.803 -6.942 397 2HG LYS 48 1HG LYS 48 -11.074 -5.198 -6.212 398 1HD LYS 48 2HD LYS 48 -9.978 -4.410 -8.321 399 2HD LYS 48 1HD LYS 48 -10.370 -5.980 -9.028 400 1HE LYS 48 2HE LYS 48 -12.274 -3.878 -8.010 401 2HE LYS 48 1HE LYS 48 -12.084 -4.444 -9.671 402 1HZ LYS 48 1HZ LYS 48 -13.977 -5.515 -8.903 403 2HZ LYS 48 2HZ LYS 48 -13.321 -5.829 -7.371 404 3HZ LYS 48 3HZ LYS 48 -12.774 -6.702 -8.725 405 H THR 49 H THR 49 -7.216 -7.635 -6.832 406 HA THR 49 HA THR 49 -5.222 -7.996 -4.701 407 HB THR 49 HB THR 49 -4.126 -9.615 -6.099 408 HG1 THR 49 HG1 THR 49 -5.709 -8.455 -8.099 409 1HG2 THR 49 1HG2 THR 49 -5.889 -11.290 -6.408 410 2HG2 THR 49 2HG2 THR 49 -7.114 -10.027 -6.264 411 3HG2 THR 49 3HG2 THR 49 -6.092 -10.430 -4.881 412 H PHE 50 H PHE 50 -3.515 -6.654 -4.659 413 HA PHE 50 HA PHE 50 -3.160 -4.888 -6.981 414 1HB PHE 50 2HB PHE 50 -2.559 -4.420 -4.055 415 2HB PHE 50 1HB PHE 50 -2.135 -3.298 -5.344 416 HD1 PHE 50 HD2 PHE 50 -3.906 -2.148 -6.609 417 HD2 PHE 50 HD1 PHE 50 -4.794 -4.557 -3.214 418 HE1 PHE 50 HE2 PHE 50 -6.124 -1.104 -6.454 419 HE2 PHE 50 HE1 PHE 50 -7.028 -3.519 -3.061 420 HZ PHE 50 HZ PHE 50 -7.687 -1.784 -4.681 421 H ASN 51 H ASN 51 -1.275 -4.901 -8.029 422 HA ASN 51 HA ASN 51 0.801 -6.703 -7.147 423 1HB ASN 51 2HB ASN 51 0.574 -4.931 -9.591 424 2HB ASN 51 1HB ASN 51 1.985 -5.928 -9.247 425 1HD2 ASN 51 1HD2 ASN 51 -1.267 -5.871 -10.359 426 2HD2 ASN 51 2HD2 ASN 51 -1.361 -7.532 -10.815 427 H VAL 52 H VAL 52 1.937 -5.967 -5.458 428 HA VAL 52 HA VAL 52 2.458 -3.179 -5.056 429 HB VAL 52 HB VAL 52 3.616 -5.551 -3.584 430 1HG1 VAL 52 1HG1 VAL 52 3.472 -2.628 -2.842 431 2HG1 VAL 52 2HG1 VAL 52 4.928 -3.543 -3.234 432 3HG1 VAL 52 3HG1 VAL 52 4.015 -3.924 -1.774 433 1HG2 VAL 52 1HG2 VAL 52 1.197 -5.577 -3.445 434 2HG2 VAL 52 2HG2 VAL 52 1.181 -3.878 -2.976 435 3HG2 VAL 52 3HG2 VAL 52 1.877 -5.083 -1.893 436 H GLU 53 H GLU 53 3.869 -2.175 -6.302 437 HA GLU 53 HA GLU 53 6.478 -3.463 -6.768 438 1HB GLU 53 2HB GLU 53 5.130 -1.462 -8.589 439 2HB GLU 53 1HB GLU 53 6.626 -2.330 -8.898 440 1HG GLU 53 2HG GLU 53 5.366 -4.441 -8.946 441 2HG GLU 53 1HG GLU 53 3.874 -3.529 -8.716 442 H VAL 54 H VAL 54 8.036 -2.551 -5.784 443 HA VAL 54 HA VAL 54 7.935 0.346 -5.363 444 HB VAL 54 HB VAL 54 7.355 -0.650 -3.248 445 1HG1 VAL 54 1HG1 VAL 54 8.267 -2.882 -3.591 446 2HG1 VAL 54 2HG1 VAL 54 8.809 -2.193 -2.060 447 3HG1 VAL 54 3HG1 VAL 54 9.902 -2.237 -3.444 448 1HG2 VAL 54 1HG2 VAL 54 10.207 0.271 -3.264 449 2HG2 VAL 54 2HG2 VAL 54 9.140 0.243 -1.860 450 3HG2 VAL 54 3HG2 VAL 54 8.778 1.300 -3.224 451 HA PRO 55 HA PRO 55 11.707 -0.153 -7.732 452 1HB PRO 55 2HB PRO 55 11.875 2.748 -7.134 453 2HB PRO 55 1HB PRO 55 11.956 1.911 -8.687 454 1HG PRO 55 2HG PRO 55 9.782 3.276 -7.988 455 2HG PRO 55 1HG PRO 55 9.651 1.735 -8.859 456 1HD PRO 55 2HD PRO 55 9.236 2.315 -5.952 457 2HD PRO 55 1HD PRO 55 8.316 1.242 -7.026 458 H GLU 56 H GLU 56 11.620 1.937 -4.838 459 HA GLU 56 HA GLU 56 14.317 2.059 -4.299 460 1HB GLU 56 2HB GLU 56 11.983 2.029 -2.390 461 2HB GLU 56 1HB GLU 56 13.632 2.332 -1.869 462 1HG GLU 56 2HG GLU 56 12.854 4.461 -2.114 463 2HG GLU 56 1HG GLU 56 13.560 4.187 -3.705 464 H ARG 57 H ARG 57 12.197 -0.661 -3.814 465 HA ARG 57 HA ARG 57 14.424 -2.093 -2.505 466 1HB ARG 57 2HB ARG 57 11.488 -2.643 -2.070 467 2HB ARG 57 1HB ARG 57 12.843 -3.359 -1.210 468 1HG ARG 57 2HG ARG 57 13.369 -1.231 -0.191 469 2HG ARG 57 1HG ARG 57 12.084 -0.447 -1.114 470 1HD ARG 57 2HD ARG 57 10.485 -2.051 -0.013 471 2HD ARG 57 1HD ARG 57 11.814 -2.521 1.047 472 HE ARG 57 HE ARG 57 11.500 0.286 1.064 473 1HH1 ARG 57 1HH1 ARG 57 10.037 -2.647 2.257 474 2HH1 ARG 57 2HH1 ARG 57 9.270 -1.874 3.618 475 1HH2 ARG 57 1HH2 ARG 57 10.455 1.324 2.835 476 2HH2 ARG 57 2HH2 ARG 57 9.496 0.366 3.935 477 H ASP 58 H ASP 58 13.094 -1.785 -5.324 478 HA ASP 58 HA ASP 58 12.428 -3.011 -7.113 479 1HB ASP 58 2HB ASP 58 14.020 -4.656 -7.837 480 2HB ASP 58 1HB ASP 58 14.878 -3.346 -7.045 481 H LEU 59 H LEU 59 10.926 -3.684 -4.689 482 HA LEU 59 HA LEU 59 10.558 -6.551 -4.757 483 1HB LEU 59 2HB LEU 59 10.239 -4.782 -2.761 484 2HB LEU 59 1HB LEU 59 8.602 -4.782 -3.377 485 HG LEU 59 HG LEU 59 10.064 -7.259 -2.443 486 1HD1 LEU 59 1HD1 LEU 59 8.606 -7.151 -0.481 487 2HD1 LEU 59 2HD1 LEU 59 7.964 -5.608 -1.050 488 3HD1 LEU 59 3HD1 LEU 59 9.660 -5.736 -0.586 489 1HD2 LEU 59 1HD2 LEU 59 8.336 -7.751 -4.086 490 2HD2 LEU 59 2HD2 LEU 59 7.173 -6.801 -3.164 491 3HD2 LEU 59 3HD2 LEU 59 7.836 -8.285 -2.480 492 H ALA 60 H ALA 60 9.297 -7.554 -6.139 493 HA ALA 60 HA ALA 60 6.903 -6.164 -7.152 494 1HB ALA 60 1HB ALA 60 8.597 -6.344 -8.935 495 2HB ALA 60 2HB ALA 60 7.159 -7.302 -9.288 496 3HB ALA 60 3HB ALA 60 8.626 -8.093 -8.714 497 H PHE 61 H PHE 61 5.373 -7.078 -5.917 498 HA PHE 61 HA PHE 61 4.961 -9.947 -6.109 499 1HB PHE 61 2HB PHE 61 6.419 -9.728 -4.159 500 2HB PHE 61 1HB PHE 61 5.335 -8.535 -3.464 501 HD1 PHE 61 HD1 PHE 61 5.432 -12.078 -4.595 502 HD2 PHE 61 HD2 PHE 61 3.691 -9.194 -1.992 503 HE1 PHE 61 HE1 PHE 61 4.226 -13.870 -3.422 504 HE2 PHE 61 HE2 PHE 61 2.484 -10.981 -0.817 505 HZ PHE 61 HZ PHE 61 2.746 -13.327 -1.528 506 H ARG 62 H ARG 62 2.830 -10.491 -5.949 507 HA ARG 62 HA ARG 62 0.996 -8.254 -6.064 508 1HB ARG 62 2HB ARG 62 0.895 -10.160 -7.693 509 2HB ARG 62 1HB ARG 62 0.355 -11.188 -6.372 510 1HG ARG 62 2HG ARG 62 -1.614 -9.790 -6.074 511 2HG ARG 62 1HG ARG 62 -1.063 -8.729 -7.373 512 1HD ARG 62 2HD ARG 62 -2.676 -10.176 -8.318 513 2HD ARG 62 1HD ARG 62 -1.107 -10.735 -8.885 514 HE ARG 62 HE ARG 62 -2.580 -12.030 -6.672 515 1HH1 ARG 62 1HH1 ARG 62 -0.589 -12.196 -9.547 516 2HH1 ARG 62 2HH1 ARG 62 -0.549 -13.930 -9.581 517 1HH2 ARG 62 1HH2 ARG 62 -2.541 -14.306 -6.711 518 2HH2 ARG 62 2HH2 ARG 62 -1.660 -15.137 -7.962 519 H GLY 63 H GLY 63 0.355 -7.457 -4.209 520 1HA GLY 63 2HA GLY 63 -0.396 -9.320 -2.052 521 2HA GLY 63 1HA GLY 63 0.149 -7.666 -1.795 522 H GLU 64 H GLU 64 -2.503 -9.654 -2.073 523 HA GLU 64 HA GLU 64 -4.341 -7.635 -3.033 524 1HB GLU 64 2HB GLU 64 -6.068 -9.370 -2.497 525 2HB GLU 64 1HB GLU 64 -4.846 -9.890 -3.644 526 1HG GLU 64 2HG GLU 64 -3.708 -11.131 -1.905 527 2HG GLU 64 1HG GLU 64 -4.876 -10.558 -0.713 528 H MET 65 H MET 65 -5.956 -6.632 -1.771 529 HA MET 65 HA MET 65 -5.193 -6.164 0.944 530 1HB MET 65 2HB MET 65 -7.563 -5.259 -0.677 531 2HB MET 65 1HB MET 65 -7.368 -4.850 1.021 532 1HG MET 65 2HG MET 65 -5.182 -3.831 0.467 533 2HG MET 65 1HG MET 65 -5.523 -4.113 -1.233 534 1HE MET 65 1HE MET 65 -7.959 -3.046 1.657 535 2HE MET 65 2HE MET 65 -7.928 -1.290 1.502 536 3HE MET 65 3HE MET 65 -6.477 -2.157 2.006 537 H THR 66 H THR 66 -5.350 -7.802 2.237 538 HA THR 66 HA THR 66 -7.399 -9.763 2.156 539 HB THR 66 HB THR 66 -6.285 -10.211 4.525 540 HG1 THR 66 HG1 THR 66 -3.943 -9.339 3.819 541 1HG2 THR 66 1HG2 THR 66 -6.048 -11.699 2.587 542 2HG2 THR 66 2HG2 THR 66 -4.498 -11.481 3.404 543 3HG2 THR 66 3HG2 THR 66 -4.834 -10.620 1.902 544 H ASN 67 H ASN 67 -6.760 -6.911 4.010 545 HA ASN 67 HA ASN 67 -7.927 -5.715 5.499 546 1HB ASN 67 2HB ASN 67 -10.316 -7.283 4.525 547 2HB ASN 67 1HB ASN 67 -10.394 -5.854 5.544 548 1HD2 ASN 67 1HD2 ASN 67 -8.169 -4.573 4.061 549 2HD2 ASN 67 2HD2 ASN 67 -8.870 -4.041 2.574 550 H TYR 68 H TYR 68 -9.064 -5.854 7.631 551 HA TYR 68 HA TYR 68 -9.364 -8.547 8.671 552 1HB TYR 68 2HB TYR 68 -6.951 -7.796 9.049 553 2HB TYR 68 1HB TYR 68 -7.609 -6.616 10.181 554 HD1 TYR 68 HD2 TYR 68 -7.155 -10.202 9.511 555 HD2 TYR 68 HD1 TYR 68 -8.404 -7.295 12.354 556 HE1 TYR 68 HE2 TYR 68 -7.169 -11.929 11.259 557 HE2 TYR 68 HE1 TYR 68 -8.422 -9.015 14.114 558 HH TYR 68 HH TYR 68 -8.652 -11.517 14.237 559 H SER 69 H SER 69 -9.198 -5.166 9.817 560 HA SER 69 HA SER 69 -11.573 -5.709 11.440 561 1HB SER 69 2HB SER 69 -10.896 -3.454 12.497 562 2HB SER 69 1HB SER 69 -9.862 -4.849 12.809 563 HG SER 69 HG SER 69 -9.005 -2.623 11.984 564 H THR 70 H THR 70 -13.184 -3.944 11.635 565 HA THR 70 HA THR 70 -13.837 -2.876 9.015 566 HB THR 70 HB THR 70 -15.395 -2.657 11.608 567 HG1 THR 70 HG1 THR 70 -16.597 -4.343 10.034 568 1HG2 THR 70 1HG2 THR 70 -17.312 -2.242 10.115 569 2HG2 THR 70 2HG2 THR 70 -16.223 -2.265 8.728 570 3HG2 THR 70 3HG2 THR 70 -16.067 -1.003 9.950 571 H SER 71 H SER 71 -13.081 -0.939 8.420 572 HA SER 71 HA SER 71 -13.104 1.251 10.292 573 1HB SER 71 2HB SER 71 -10.520 0.312 9.070 574 2HB SER 71 1HB SER 71 -10.728 1.803 9.992 575 HG SER 71 HG SER 71 -11.731 -0.220 11.404 576 H LEU 72 H LEU 72 -12.024 0.201 7.086 577 HA LEU 72 HA LEU 72 -12.219 1.082 5.009 578 1HB LEU 72 2HB LEU 72 -14.626 1.106 5.618 579 2HB LEU 72 1HB LEU 72 -14.436 2.750 6.192 580 HG LEU 72 HG LEU 72 -13.789 3.429 3.876 581 1HD1 LEU 72 1HD1 LEU 72 -13.008 1.273 3.074 582 2HD1 LEU 72 2HD1 LEU 72 -14.289 1.904 2.040 583 3HD1 LEU 72 3HD1 LEU 72 -14.642 0.619 3.196 584 1HD2 LEU 72 1HD2 LEU 72 -16.057 3.762 4.666 585 2HD2 LEU 72 2HD2 LEU 72 -16.485 2.117 4.200 586 3HD2 LEU 72 3HD2 LEU 72 -16.068 3.303 2.963 587 H THR 73 H THR 73 -13.273 4.117 6.499 588 HA THR 73 HA THR 73 -10.905 5.409 5.353 589 HB THR 73 HB THR 73 -12.363 7.487 6.217 590 HG1 THR 73 HG1 THR 73 -14.519 7.050 6.160 591 1HG2 THR 73 1HG2 THR 73 -13.298 7.666 3.956 592 2HG2 THR 73 2HG2 THR 73 -12.893 5.978 3.655 593 3HG2 THR 73 3HG2 THR 73 -11.607 7.160 3.909 594 H ASN 74 H ASN 74 -11.747 4.083 8.221 595 HA ASN 74 HA ASN 74 -10.511 6.179 9.852 596 1HB ASN 74 2HB ASN 74 -12.619 5.233 10.693 597 2HB ASN 74 1HB ASN 74 -11.887 3.629 10.723 598 1HD2 ASN 74 1HD2 ASN 74 -12.066 3.309 12.898 599 2HD2 ASN 74 2HD2 ASN 74 -11.161 4.220 14.072 600 H LEU 75 H LEU 75 -8.443 6.088 10.191 601 HA LEU 75 HA LEU 75 -7.150 3.707 11.115 602 1HB LEU 75 2HB LEU 75 -7.030 3.446 8.626 603 2HB LEU 75 1HB LEU 75 -6.153 4.960 8.544 604 HG LEU 75 HG LEU 75 -4.295 3.992 9.793 605 1HD1 LEU 75 1HD1 LEU 75 -4.268 1.618 10.365 606 2HD1 LEU 75 2HD1 LEU 75 -5.935 1.461 9.813 607 3HD1 LEU 75 3HD1 LEU 75 -5.561 2.466 11.213 608 1HD2 LEU 75 1HD2 LEU 75 -4.311 3.756 7.358 609 2HD2 LEU 75 2HD2 LEU 75 -5.182 2.230 7.507 610 3HD2 LEU 75 3HD2 LEU 75 -3.537 2.371 8.129 611 H TYR 76 H TYR 76 -6.925 6.964 9.886 612 HA TYR 76 HA TYR 76 -5.922 7.872 12.419 613 1HB TYR 76 2HB TYR 76 -3.789 7.423 11.384 614 2HB TYR 76 1HB TYR 76 -4.295 8.184 9.883 615 HD1 TYR 76 HD2 TYR 76 -4.298 9.234 13.477 616 HD2 TYR 76 HD1 TYR 76 -3.145 10.124 9.482 617 HE1 TYR 76 HE2 TYR 76 -3.359 11.379 14.230 618 HE2 TYR 76 HE1 TYR 76 -2.203 12.269 10.221 619 HH TYR 76 HH TYR 76 -1.885 13.067 13.597 620 H GLU 77 H GLU 77 -7.910 8.951 12.522 621 HA GLU 77 HA GLU 77 -8.576 10.782 10.345 622 1HB GLU 77 2HB GLU 77 -10.383 9.406 11.251 623 2HB GLU 77 1HB GLU 77 -10.104 10.068 12.856 624 1HG GLU 77 2HG GLU 77 -10.667 12.323 11.935 625 2HG GLU 77 1HG GLU 77 -11.136 11.524 10.435 626 HA PRO 78 HA PRO 78 -6.746 14.041 12.895 627 1HB PRO 78 2HB PRO 78 -6.531 15.565 10.452 628 2HB PRO 78 1HB PRO 78 -5.235 14.866 11.422 629 1HG PRO 78 2HG PRO 78 -5.895 14.004 8.907 630 2HG PRO 78 1HG PRO 78 -5.109 12.987 10.128 631 1HD PRO 78 2HD PRO 78 -7.993 13.115 9.331 632 2HD PRO 78 1HD PRO 78 -6.989 11.697 9.711 633 H GLY 79 H GLY 79 -9.272 14.123 10.472 634 1HA GLY 79 2HA GLY 79 -11.298 15.218 11.744 635 2HA GLY 79 1HA GLY 79 -10.310 16.650 11.499 636 H ALA 80 H ALA 80 -10.038 17.476 9.412 637 HA ALA 80 HA ALA 80 -12.390 17.097 7.801 638 1HB ALA 80 1HB ALA 80 -11.567 19.008 6.532 639 2HB ALA 80 2HB ALA 80 -10.030 18.923 7.395 640 3HB ALA 80 3HB ALA 80 -11.510 19.319 8.268 641 H VAL 81 H VAL 81 -10.254 14.938 7.814 642 HA VAL 81 HA VAL 81 -10.371 14.411 4.985 643 HB VAL 81 HB VAL 81 -8.328 15.770 5.093 644 1HG1 VAL 81 1HG1 VAL 81 -6.343 14.936 6.280 645 2HG1 VAL 81 2HG1 VAL 81 -7.332 13.673 7.013 646 3HG1 VAL 81 3HG1 VAL 81 -7.655 15.369 7.375 647 1HG2 VAL 81 1HG2 VAL 81 -6.785 14.175 4.026 648 2HG2 VAL 81 2HG2 VAL 81 -8.434 14.021 3.425 649 3HG2 VAL 81 3HG2 VAL 81 -7.805 12.844 4.577 650 H SER 82 H SER 82 -10.197 12.221 4.528 651 HA SER 82 HA SER 82 -10.171 10.493 6.896 652 1HB SER 82 2HB SER 82 -11.212 9.881 4.108 653 2HB SER 82 1HB SER 82 -11.419 8.885 5.547 654 HG SER 82 HG SER 82 -12.401 11.547 5.285 655 H GLU 83 H GLU 83 -7.973 10.106 7.158 656 HA GLU 83 HA GLU 83 -6.294 9.176 5.069 657 1HB GLU 83 2HB GLU 83 -6.127 8.780 8.064 658 2HB GLU 83 1HB GLU 83 -4.870 8.299 6.935 659 1HG GLU 83 2HG GLU 83 -5.847 11.106 7.393 660 2HG GLU 83 1HG GLU 83 -4.354 10.412 8.021 661 H PHE 84 H PHE 84 -6.802 7.447 3.920 662 HA PHE 84 HA PHE 84 -8.824 5.671 4.729 663 1HB PHE 84 2HB PHE 84 -7.865 6.389 2.337 664 2HB PHE 84 1HB PHE 84 -7.037 4.844 2.516 665 HD1 PHE 84 HD2 PHE 84 -10.375 6.402 2.735 666 HD2 PHE 84 HD1 PHE 84 -8.154 2.867 1.971 667 HE1 PHE 84 HE2 PHE 84 -12.433 5.289 2.044 668 HE2 PHE 84 HE1 PHE 84 -10.218 1.721 1.268 669 HZ PHE 84 HZ PHE 84 -12.366 2.930 1.299 670 H TYR 85 H TYR 85 -8.848 3.594 5.271 671 HA TYR 85 HA TYR 85 -6.475 2.570 6.575 672 1HB TYR 85 2HB TYR 85 -8.372 2.493 7.942 673 2HB TYR 85 1HB TYR 85 -9.416 1.978 6.631 674 HD1 TYR 85 HD1 TYR 85 -6.369 0.623 8.384 675 HD2 TYR 85 HD2 TYR 85 -10.281 -0.083 6.863 676 HE1 TYR 85 HE1 TYR 85 -6.281 -1.695 9.220 677 HE2 TYR 85 HE2 TYR 85 -10.212 -2.377 7.695 678 HH TYR 85 HH TYR 85 -8.080 -3.476 9.918 679 H ILE 86 H ILE 86 -5.286 2.089 4.657 680 HA ILE 86 HA ILE 86 -6.317 -0.164 3.093 681 HB ILE 86 HB ILE 86 -3.803 1.456 2.649 682 1HG1 ILE 86 2HG1 ILE 86 -5.946 2.706 2.276 683 2HG1 ILE 86 1HG1 ILE 86 -4.965 2.525 0.825 684 1HG2 ILE 86 1HG2 ILE 86 -3.622 -0.821 1.825 685 2HG2 ILE 86 2HG2 ILE 86 -3.735 0.313 0.479 686 3HG2 ILE 86 3HG2 ILE 86 -5.142 -0.642 0.948 687 1HD1 ILE 86 1HD1 ILE 86 -7.364 0.848 1.533 688 2HD1 ILE 86 2HD1 ILE 86 -6.405 0.729 0.057 689 3HD1 ILE 86 3HD1 ILE 86 -7.342 2.186 0.385 690 H GLU 87 H GLU 87 -6.082 -1.897 4.402 691 HA GLU 87 HA GLU 87 -3.439 -2.399 5.557 692 1HB GLU 87 2HB GLU 87 -5.772 -2.532 6.815 693 2HB GLU 87 1HB GLU 87 -5.802 -4.142 6.110 694 1HG GLU 87 2HG GLU 87 -3.665 -3.029 7.902 695 2HG GLU 87 1HG GLU 87 -4.911 -4.177 8.364 696 H ILE 88 H ILE 88 -2.134 -3.631 4.390 697 HA ILE 88 HA ILE 88 -3.329 -5.898 2.957 698 HB ILE 88 HB ILE 88 -0.877 -4.359 2.066 699 1HG1 ILE 88 2HG1 ILE 88 -3.622 -4.463 0.812 700 2HG1 ILE 88 1HG1 ILE 88 -2.995 -3.102 1.735 701 1HG2 ILE 88 1HG2 ILE 88 -1.044 -5.745 0.038 702 2HG2 ILE 88 2HG2 ILE 88 -2.370 -6.644 0.778 703 3HG2 ILE 88 3HG2 ILE 88 -0.754 -6.710 1.485 704 1HD1 ILE 88 1HD1 ILE 88 -2.849 -2.718 -0.666 705 2HD1 ILE 88 2HD1 ILE 88 -1.848 -4.160 -0.840 706 3HD1 ILE 88 3HD1 ILE 88 -1.248 -2.774 0.072 707 H THR 89 H THR 89 -2.904 -7.156 4.907 708 HA THR 89 HA THR 89 -0.174 -7.698 5.566 709 HB THR 89 HB THR 89 -2.095 -8.154 7.139 710 HG1 THR 89 HG1 THR 89 -1.072 -10.592 7.245 711 1HG2 THR 89 1HG2 THR 89 -3.653 -9.193 5.589 712 2HG2 THR 89 2HG2 THR 89 -3.284 -10.285 6.924 713 3HG2 THR 89 3HG2 THR 89 -2.537 -10.538 5.346 714 H GLU 90 H GLU 90 1.112 -9.350 4.847 715 HA GLU 90 HA GLU 90 1.113 -10.062 2.221 716 1HB GLU 90 2HB GLU 90 2.979 -10.378 3.845 717 2HB GLU 90 1HB GLU 90 2.142 -11.786 4.477 718 1HG GLU 90 2HG GLU 90 2.294 -12.816 2.221 719 2HG GLU 90 1HG GLU 90 3.284 -11.445 1.718 720 H ILE 91 H ILE 91 -0.055 -11.343 0.972 721 HA ILE 91 HA ILE 91 -2.360 -12.644 1.717 722 HB ILE 91 HB ILE 91 -1.777 -12.083 -0.616 723 1HG1 ILE 91 2HG1 ILE 91 -2.638 -14.865 0.109 724 2HG1 ILE 91 1HG1 ILE 91 -3.613 -13.508 -0.461 725 1HG2 ILE 91 1HG2 ILE 91 0.551 -12.767 -0.635 726 2HG2 ILE 91 2HG2 ILE 91 -0.339 -13.575 -1.925 727 3HG2 ILE 91 3HG2 ILE 91 0.075 -14.455 -0.453 728 1HD1 ILE 91 1HD1 ILE 91 -3.438 -15.239 -2.146 729 2HD1 ILE 91 2HD1 ILE 91 -1.678 -15.127 -2.104 730 3HD1 ILE 91 3HD1 ILE 91 -2.635 -13.764 -2.685 731 H ASP 92 H ASP 92 -2.896 -14.749 2.296 732 HA ASP 92 HA ASP 92 -0.658 -16.250 3.389 733 1HB ASP 92 2HB ASP 92 -3.614 -16.400 3.888 734 2HB ASP 92 1HB ASP 92 -2.513 -17.636 4.472 735 H LYS 93 H LYS 93 -0.776 -18.582 3.373 736 HA LYS 93 HA LYS 93 -1.346 -19.522 0.669 737 1HB LYS 93 2HB LYS 93 0.020 -21.493 1.349 738 2HB LYS 93 1HB LYS 93 0.885 -19.968 1.405 739 1HG LYS 93 2HG LYS 93 0.215 -19.975 3.910 740 2HG LYS 93 1HG LYS 93 -0.037 -21.702 3.648 741 1HD LYS 93 2HD LYS 93 2.217 -21.309 4.461 742 2HD LYS 93 1HD LYS 93 2.275 -21.878 2.789 743 1HE LYS 93 2HE LYS 93 2.441 -19.495 2.069 744 2HE LYS 93 1HE LYS 93 2.572 -19.041 3.767 745 1HZ LYS 93 1HZ LYS 93 4.445 -20.850 2.329 746 2HZ LYS 93 2HZ LYS 93 4.593 -20.334 3.940 747 3HZ LYS 93 3HZ LYS 93 4.735 -19.217 2.676 748 H ASN 94 H ASN 94 -2.878 -19.170 3.309 749 HA ASN 94 HA ASN 94 -4.362 -21.684 3.368 750 1HB ASN 94 2HB ASN 94 -3.721 -20.483 5.499 751 2HB ASN 94 1HB ASN 94 -4.807 -19.185 5.023 752 1HD2 ASN 94 1HD2 ASN 94 -5.386 -22.613 4.527 753 2HD2 ASN 94 2HD2 ASN 94 -6.731 -22.728 5.608 754 H ALA 95 H ALA 95 -4.242 -19.138 1.432 755 HA ALA 95 HA ALA 95 -6.865 -18.151 1.220 756 1HB ALA 95 1HB ALA 95 -4.787 -18.438 -0.953 757 2HB ALA 95 2HB ALA 95 -4.946 -17.069 0.146 758 3HB ALA 95 3HB ALA 95 -6.223 -17.414 -1.020 759 H ASP 96 H ASP 96 -5.316 -21.032 -0.018 760 HA ASP 96 HA ASP 96 -7.886 -21.869 -1.170 761 1HB ASP 96 2HB ASP 96 -6.056 -21.978 -2.773 762 2HB ASP 96 1HB ASP 96 -5.114 -22.975 -1.677 763 H SER 97 H SER 97 -8.407 -24.122 -0.897 764 HA SER 97 HA SER 97 -7.341 -25.647 1.259 765 1HB SER 97 2HB SER 97 -8.556 -23.852 2.530 766 2HB SER 97 1HB SER 97 -10.049 -24.355 1.737 767 HG SER 97 HG SER 97 -9.461 -26.523 2.665 768 H LEU 98 H LEU 98 -8.090 -25.825 -1.541 769 HA LEU 98 HA LEU 98 -10.488 -27.490 -1.526 770 1HB LEU 98 2HB LEU 98 -8.922 -26.259 -3.787 771 2HB LEU 98 1HB LEU 98 -10.319 -27.295 -4.013 772 HG LEU 98 HG LEU 98 -10.313 -24.602 -2.641 773 1HD1 LEU 98 1HD1 LEU 98 -11.498 -25.471 -5.276 774 2HD1 LEU 98 2HD1 LEU 98 -10.056 -24.475 -5.074 775 3HD1 LEU 98 3HD1 LEU 98 -11.628 -23.868 -4.552 776 1HD2 LEU 98 1HD2 LEU 98 -11.936 -26.094 -1.619 777 2HD2 LEU 98 2HD2 LEU 98 -12.579 -26.514 -3.207 778 3HD2 LEU 98 3HD2 LEU 98 -12.755 -24.871 -2.589 779 H GLU 99 H GLU 99 -7.565 -28.084 -0.794 780 HA GLU 99 HA GLU 99 -7.124 -30.426 -2.469 781 1HB GLU 99 2HB GLU 99 -5.185 -29.026 -1.874 782 2HB GLU 99 1HB GLU 99 -5.497 -29.309 -0.170 783 1HG GLU 99 2HG GLU 99 -5.004 -31.630 -1.982 784 2HG GLU 99 1HG GLU 99 -3.648 -30.649 -1.426 785 H HIS 100 H HIS 100 -7.038 -29.879 1.058 786 HA HIS 100 HA HIS 100 -8.184 -32.526 1.439 787 1HB HIS 100 2HB HIS 100 -6.282 -31.883 2.851 788 2HB HIS 100 1HB HIS 100 -7.195 -30.508 3.468 789 HD1 HIS 100 HD1 HIS 100 -8.484 -30.908 5.544 790 HD2 HIS 100 HD2 HIS 100 -7.566 -34.451 3.573 791 HE1 HIS 100 HE1 HIS 100 -9.267 -32.752 7.067 792 HE2 HIS 100 HE2 HIS 100 -8.665 -34.891 5.876 793 H HIS 101 H HIS 101 -10.227 -32.077 0.583 794 HA HIS 101 HA HIS 101 -12.006 -30.150 1.546 795 1HB HIS 101 2HB HIS 101 -13.792 -31.574 0.628 796 2HB HIS 101 1HB HIS 101 -12.453 -31.417 -0.497 797 HD1 HIS 101 HD1 HIS 101 -14.730 -33.821 0.093 798 HD2 HIS 101 HD2 HIS 101 -10.587 -33.893 0.479 799 HE1 HIS 101 HE1 HIS 101 -14.071 -36.249 -0.033 800 HE2 HIS 101 HE2 HIS 101 -11.553 -36.250 0.071 801 H HIS 102 H HIS 102 -12.992 -29.906 3.422 802 HA HIS 102 HA HIS 102 -13.242 -32.250 5.184 803 1HB HIS 102 2HB HIS 102 -12.669 -30.837 7.121 804 2HB HIS 102 1HB HIS 102 -11.340 -30.940 5.974 805 HD1 HIS 102 HD1 HIS 102 -10.291 -28.766 5.386 806 HD2 HIS 102 HD2 HIS 102 -14.168 -28.288 6.811 807 HE1 HIS 102 HE1 HIS 102 -10.668 -26.281 5.517 808 HE2 HIS 102 HE2 HIS 102 -12.920 -26.037 6.637 809 H HIS 103 H HIS 103 -14.911 -32.040 6.840 810 HA HIS 103 HA HIS 103 -17.221 -30.625 5.736 811 1HB HIS 103 2HB HIS 103 -16.977 -32.747 7.874 812 2HB HIS 103 1HB HIS 103 -18.495 -31.956 7.468 813 HD1 HIS 103 HD1 HIS 103 -19.775 -32.842 5.497 814 HD2 HIS 103 HD2 HIS 103 -15.922 -34.400 5.757 815 HE1 HIS 103 HE1 HIS 103 -19.664 -34.679 3.785 816 HE2 HIS 103 HE2 HIS 103 -17.389 -35.725 4.088 817 H HIS 104 H HIS 104 -15.152 -30.603 8.565 818 HA HIS 104 HA HIS 104 -16.961 -28.676 9.846 819 1HB HIS 104 2HB HIS 104 -14.997 -30.644 10.972 820 2HB HIS 104 1HB HIS 104 -15.507 -29.249 11.918 821 HD1 HIS 104 HD1 HIS 104 -17.710 -29.395 13.089 822 HD2 HIS 104 HD2 HIS 104 -17.170 -32.445 10.313 823 HE1 HIS 104 HE1 HIS 104 -19.633 -30.982 13.440 824 HE2 HIS 104 HE2 HIS 104 -19.373 -32.736 11.649 825 H HIS 105 H HIS 105 -16.442 -26.669 9.627 826 HA HIS 105 HA HIS 105 -15.339 -24.702 9.711 827 1HB HIS 105 2HB HIS 105 -14.850 -25.752 12.003 828 2HB HIS 105 1HB HIS 105 -13.236 -26.069 11.373 829 HD1 HIS 105 HD1 HIS 105 -11.753 -23.961 10.826 830 HD2 HIS 105 HD2 HIS 105 -15.333 -23.158 12.777 831 HE1 HIS 105 HE1 HIS 105 -11.560 -21.591 11.650 832 HE2 HIS 105 HE2 HIS 105 -13.661 -21.198 12.986 Start of MODEL 7 1 1H MET 1 1H MET 1 10.763 6.630 5.290 2 2H MET 1 2H MET 1 10.854 6.036 3.704 3 3H MET 1 3H MET 1 9.963 5.194 4.875 4 HA MET 1 HA MET 1 8.477 7.122 5.081 5 1HB MET 1 2HB MET 1 10.124 8.056 2.730 6 2HB MET 1 1HB MET 1 8.542 8.718 3.119 7 1HG MET 1 2HG MET 1 10.963 8.786 4.906 8 2HG MET 1 1HG MET 1 10.345 10.128 3.944 9 1HE MET 1 1HE MET 1 9.465 11.264 7.566 10 2HE MET 1 2HE MET 1 10.283 11.676 6.061 11 3HE MET 1 3HE MET 1 10.900 10.369 7.072 12 H VAL 2 H VAL 2 9.643 5.968 1.923 13 HA VAL 2 HA VAL 2 8.618 4.922 0.200 14 HB VAL 2 HB VAL 2 6.610 3.978 2.258 15 1HG1 VAL 2 1HG1 VAL 2 6.148 2.176 0.659 16 2HG1 VAL 2 2HG1 VAL 2 7.254 2.924 -0.495 17 3HG1 VAL 2 3HG1 VAL 2 5.776 3.761 -0.019 18 1HG2 VAL 2 1HG2 VAL 2 7.938 1.925 2.344 19 2HG2 VAL 2 2HG2 VAL 2 8.891 3.323 2.848 20 3HG2 VAL 2 3HG2 VAL 2 9.115 2.636 1.238 21 H LYS 3 H LYS 3 8.079 6.791 -0.879 22 HA LYS 3 HA LYS 3 5.293 7.699 -0.533 23 1HB LYS 3 2HB LYS 3 7.073 9.385 -0.039 24 2HB LYS 3 1HB LYS 3 7.613 9.240 -1.705 25 1HG LYS 3 2HG LYS 3 5.565 10.155 -2.524 26 2HG LYS 3 1HG LYS 3 4.845 10.109 -0.915 27 1HD LYS 3 2HD LYS 3 7.346 11.675 -1.429 28 2HD LYS 3 1HD LYS 3 5.764 12.349 -1.817 29 1HE LYS 3 2HE LYS 3 6.490 13.066 0.391 30 2HE LYS 3 1HE LYS 3 5.059 12.045 0.503 31 1HZ LYS 3 1HZ LYS 3 7.838 11.087 0.958 32 2HZ LYS 3 2HZ LYS 3 6.407 10.215 1.219 33 3HZ LYS 3 3HZ LYS 3 6.771 11.551 2.191 34 H THR 4 H THR 4 7.650 6.361 -2.618 35 HA THR 4 HA THR 4 5.965 6.708 -4.982 36 HB THR 4 HB THR 4 8.596 5.264 -4.983 37 HG1 THR 4 HG1 THR 4 9.043 7.200 -3.895 38 1HG2 THR 4 1HG2 THR 4 7.241 5.309 -7.031 39 2HG2 THR 4 2HG2 THR 4 8.741 6.213 -7.234 40 3HG2 THR 4 3HG2 THR 4 7.221 7.072 -6.976 41 H LEU 5 H LEU 5 4.276 5.298 -4.461 42 HA LEU 5 HA LEU 5 4.966 2.452 -4.667 43 1HB LEU 5 2HB LEU 5 4.484 2.962 -2.316 44 2HB LEU 5 1HB LEU 5 2.939 3.651 -2.771 45 HG LEU 5 HG LEU 5 2.188 1.432 -3.542 46 1HD1 LEU 5 1HD1 LEU 5 4.827 0.486 -2.441 47 2HD1 LEU 5 2HD1 LEU 5 4.351 0.491 -4.141 48 3HD1 LEU 5 3HD1 LEU 5 3.507 -0.549 -2.990 49 1HD2 LEU 5 1HD2 LEU 5 1.688 2.132 -1.271 50 2HD2 LEU 5 2HD2 LEU 5 3.239 1.498 -0.717 51 3HD2 LEU 5 3HD2 LEU 5 2.002 0.397 -1.325 52 H ARG 6 H ARG 6 3.641 1.262 -5.954 53 HA ARG 6 HA ARG 6 1.256 2.571 -7.074 54 1HB ARG 6 2HB ARG 6 3.105 2.890 -8.648 55 2HB ARG 6 1HB ARG 6 3.433 1.165 -8.633 56 1HG ARG 6 2HG ARG 6 1.207 0.766 -9.615 57 2HG ARG 6 1HG ARG 6 0.961 2.511 -9.698 58 1HD ARG 6 2HD ARG 6 3.216 1.023 -11.030 59 2HD ARG 6 1HD ARG 6 1.731 1.515 -11.839 60 HE ARG 6 HE ARG 6 2.391 3.827 -11.468 61 1HH1 ARG 6 1HH1 ARG 6 4.869 1.377 -11.041 62 2HH1 ARG 6 2HH1 ARG 6 6.184 2.485 -11.292 63 1HH2 ARG 6 1HH2 ARG 6 4.125 5.288 -11.806 64 2HH2 ARG 6 2HH2 ARG 6 5.768 4.712 -11.723 65 H LEU 7 H LEU 7 -0.465 1.297 -7.074 66 HA LEU 7 HA LEU 7 -0.103 -1.582 -6.627 67 1HB LEU 7 2HB LEU 7 -2.597 0.122 -6.427 68 2HB LEU 7 1HB LEU 7 -2.509 -1.594 -6.081 69 HG LEU 7 HG LEU 7 -1.071 0.574 -4.545 70 1HD1 LEU 7 1HD1 LEU 7 -3.478 0.619 -4.189 71 2HD1 LEU 7 2HD1 LEU 7 -2.637 0.040 -2.751 72 3HD1 LEU 7 3HD1 LEU 7 -3.466 -1.103 -3.808 73 1HD2 LEU 7 1HD2 LEU 7 -0.536 -1.231 -2.964 74 2HD2 LEU 7 2HD2 LEU 7 0.184 -1.506 -4.552 75 3HD2 LEU 7 3HD2 LEU 7 -1.257 -2.402 -4.069 76 H ASN 8 H ASN 8 -0.080 -2.785 -8.376 77 HA ASN 8 HA ASN 8 -0.064 -3.335 -10.555 78 1HB ASN 8 2HB ASN 8 -2.306 -3.478 -11.680 79 2HB ASN 8 1HB ASN 8 -2.189 -4.283 -10.131 80 1HD2 ASN 8 1HD2 ASN 8 -3.478 -3.624 -8.454 81 2HD2 ASN 8 2HD2 ASN 8 -4.724 -2.438 -8.630 82 H ASN 9 H ASN 9 -2.553 -1.011 -11.395 83 HA ASN 9 HA ASN 9 -0.524 0.389 -13.015 84 1HB ASN 9 2HB ASN 9 -2.190 -0.763 -14.368 85 2HB ASN 9 1HB ASN 9 -3.495 0.005 -13.475 86 1HD2 ASN 9 1HD2 ASN 9 -0.977 0.466 -15.833 87 2HD2 ASN 9 2HD2 ASN 9 -1.577 1.963 -16.466 88 H VAL 10 H VAL 10 -2.187 0.701 -10.240 89 HA VAL 10 HA VAL 10 -3.028 3.481 -10.661 90 HB VAL 10 HB VAL 10 -3.689 1.715 -8.302 91 1HG1 VAL 10 1HG1 VAL 10 -3.970 4.098 -7.919 92 2HG1 VAL 10 2HG1 VAL 10 -5.538 3.292 -7.988 93 3HG1 VAL 10 3HG1 VAL 10 -4.966 4.229 -9.368 94 1HG2 VAL 10 1HG2 VAL 10 -5.261 2.096 -10.848 95 2HG2 VAL 10 2HG2 VAL 10 -5.876 1.323 -9.388 96 3HG2 VAL 10 3HG2 VAL 10 -4.532 0.596 -10.270 97 H THR 11 H THR 11 -1.332 4.788 -10.226 98 HA THR 11 HA THR 11 0.623 4.380 -8.263 99 HB THR 11 HB THR 11 0.999 6.040 -9.971 100 HG1 THR 11 HG1 THR 11 1.540 7.864 -8.625 101 1HG2 THR 11 1HG2 THR 11 -1.296 6.723 -10.379 102 2HG2 THR 11 2HG2 THR 11 -0.280 8.133 -10.079 103 3HG2 THR 11 3HG2 THR 11 -1.353 7.532 -8.813 104 H LEU 12 H LEU 12 0.699 4.901 -6.081 105 HA LEU 12 HA LEU 12 -1.976 5.320 -4.928 106 1HB LEU 12 2HB LEU 12 -0.947 3.105 -4.576 107 2HB LEU 12 1HB LEU 12 0.402 3.877 -3.766 108 HG LEU 12 HG LEU 12 -1.181 4.709 -2.027 109 1HD1 LEU 12 1HD1 LEU 12 -3.396 3.734 -1.881 110 2HD1 LEU 12 2HD1 LEU 12 -3.141 2.880 -3.402 111 3HD1 LEU 12 3HD1 LEU 12 -3.223 4.643 -3.385 112 1HD2 LEU 12 1HD2 LEU 12 -1.421 2.560 -0.909 113 2HD2 LEU 12 2HD2 LEU 12 0.153 2.686 -1.694 114 3HD2 LEU 12 3HD2 LEU 12 -1.127 1.722 -2.431 115 H GLU 13 H GLU 13 -2.290 6.674 -3.223 116 HA GLU 13 HA GLU 13 0.013 8.243 -2.282 117 1HB GLU 13 2HB GLU 13 -1.542 9.587 -3.698 118 2HB GLU 13 1HB GLU 13 -2.838 9.223 -2.569 119 1HG GLU 13 2HG GLU 13 -1.725 10.431 -0.817 120 2HG GLU 13 1HG GLU 13 -0.306 10.671 -1.835 121 H MET 14 H MET 14 -0.133 8.890 -0.022 122 HA MET 14 HA MET 14 -1.971 7.331 1.601 123 1HB MET 14 2HB MET 14 -0.070 6.342 2.888 124 2HB MET 14 1HB MET 14 -0.209 5.736 1.240 125 1HG MET 14 2HG MET 14 1.531 7.456 0.612 126 2HG MET 14 1HG MET 14 1.780 7.689 2.342 127 1HE MET 14 1HE MET 14 2.471 3.690 0.162 128 2HE MET 14 2HE MET 14 1.947 5.168 -0.648 129 3HE MET 14 3HE MET 14 0.871 4.357 0.490 130 H ALA 15 H ALA 15 -1.722 7.796 3.898 131 HA ALA 15 HA ALA 15 -0.676 10.514 4.351 132 1HB ALA 15 1HB ALA 15 -3.115 10.374 4.483 133 2HB ALA 15 2HB ALA 15 -2.401 10.773 6.047 134 3HB ALA 15 3HB ALA 15 -2.970 9.134 5.730 135 H ALA 16 H ALA 16 -1.277 7.361 5.859 136 HA ALA 16 HA ALA 16 1.195 7.719 7.391 137 1HB ALA 16 1HB ALA 16 -0.642 8.233 8.913 138 2HB ALA 16 2HB ALA 16 0.179 6.744 9.386 139 3HB ALA 16 3HB ALA 16 -1.380 6.671 8.566 140 H TYR 17 H TYR 17 2.124 6.397 5.800 141 HA TYR 17 HA TYR 17 1.333 3.686 5.395 142 1HB TYR 17 2HB TYR 17 2.754 5.032 3.825 143 2HB TYR 17 1HB TYR 17 4.064 4.923 4.995 144 HD1 TYR 17 HD2 TYR 17 1.850 2.870 2.838 145 HD2 TYR 17 HD1 TYR 17 5.500 3.061 5.016 146 HE1 TYR 17 HE2 TYR 17 2.562 0.752 1.816 147 HE2 TYR 17 HE1 TYR 17 6.223 0.943 3.996 148 HH TYR 17 HH TYR 17 5.241 -1.028 2.946 149 H GLN 18 H GLN 18 1.438 2.138 6.898 150 HA GLN 18 HA GLN 18 3.712 2.140 8.759 151 1HB GLN 18 2HB GLN 18 1.749 3.055 9.916 152 2HB GLN 18 1HB GLN 18 0.815 1.632 9.472 153 1HG GLN 18 2HG GLN 18 2.410 0.255 10.775 154 2HG GLN 18 1HG GLN 18 3.195 1.741 11.305 155 1HE2 GLN 18 1HE2 GLN 18 2.739 1.404 13.445 156 2HE2 GLN 18 2HE2 GLN 18 1.135 1.517 14.102 157 H GLU 19 H GLU 19 4.811 0.387 7.945 158 HA GLU 19 HA GLU 19 3.272 -2.116 7.870 159 1HB GLU 19 2HB GLU 19 4.899 -3.047 6.329 160 2HB GLU 19 1HB GLU 19 4.227 -1.562 5.676 161 1HG GLU 19 2HG GLU 19 6.223 -0.356 6.170 162 2HG GLU 19 1HG GLU 19 6.881 -1.716 7.077 163 H GLU 20 H GLU 20 3.867 -3.767 9.115 164 HA GLU 20 HA GLU 20 6.077 -3.358 10.976 165 1HB GLU 20 2HB GLU 20 3.815 -4.167 11.748 166 2HB GLU 20 1HB GLU 20 4.106 -5.654 10.858 167 1HG GLU 20 2HG GLU 20 5.932 -6.232 12.273 168 2HG GLU 20 1HG GLU 20 5.906 -4.650 13.049 169 H SER 21 H SER 21 8.007 -3.914 10.268 170 HA SER 21 HA SER 21 8.352 -5.584 7.988 171 1HB SER 21 2HB SER 21 10.843 -5.207 8.651 172 2HB SER 21 1HB SER 21 9.885 -3.842 8.082 173 HG SER 21 HG SER 21 9.881 -4.377 10.835 174 H GLU 22 H GLU 22 8.289 -6.156 11.341 175 HA GLU 22 HA GLU 22 10.040 -8.463 11.193 176 1HB GLU 22 2HB GLU 22 8.548 -7.334 13.541 177 2HB GLU 22 1HB GLU 22 9.776 -8.581 13.610 178 1HG GLU 22 2HG GLU 22 11.162 -6.899 14.028 179 2HG GLU 22 1HG GLU 22 11.103 -6.667 12.280 180 HA PRO 23 HA PRO 23 9.236 -12.114 11.458 181 1HB PRO 23 2HB PRO 23 6.443 -12.203 12.520 182 2HB PRO 23 1HB PRO 23 7.723 -13.418 12.646 183 1HG PRO 23 2HG PRO 23 7.195 -11.312 14.477 184 2HG PRO 23 1HG PRO 23 8.591 -12.405 14.481 185 1HD PRO 23 2HD PRO 23 8.753 -9.681 14.054 186 2HD PRO 23 1HD PRO 23 9.953 -10.855 13.464 187 H LYS 24 H LYS 24 6.749 -10.064 10.249 188 HA LYS 24 HA LYS 24 6.741 -11.297 7.702 189 1HB LYS 24 2HB LYS 24 4.771 -12.191 9.637 190 2HB LYS 24 1HB LYS 24 4.010 -11.440 8.246 191 1HG LYS 24 2HG LYS 24 5.194 -12.959 6.760 192 2HG LYS 24 1HG LYS 24 6.004 -13.689 8.146 193 1HD LYS 24 2HD LYS 24 3.041 -13.711 7.589 194 2HD LYS 24 1HD LYS 24 4.150 -15.071 7.412 195 1HE LYS 24 2HE LYS 24 4.670 -14.744 9.886 196 2HE LYS 24 1HE LYS 24 3.239 -13.716 9.933 197 1HZ LYS 24 1HZ LYS 24 2.572 -15.880 10.559 198 2HZ LYS 24 2HZ LYS 24 3.372 -16.595 9.247 199 3HZ LYS 24 3HZ LYS 24 1.988 -15.652 8.982 200 H ARG 25 H ARG 25 6.574 -9.595 6.412 201 HA ARG 25 HA ARG 25 6.127 -7.024 7.371 202 1HB ARG 25 2HB ARG 25 7.444 -7.426 5.394 203 2HB ARG 25 1HB ARG 25 6.047 -8.070 4.547 204 1HG ARG 25 2HG ARG 25 5.021 -5.934 4.434 205 2HG ARG 25 1HG ARG 25 6.204 -5.240 5.547 206 1HD ARG 25 2HD ARG 25 6.939 -6.418 2.876 207 2HD ARG 25 1HD ARG 25 6.549 -4.714 3.105 208 HE ARG 25 HE ARG 25 8.529 -4.417 4.297 209 1HH1 ARG 25 1HH1 ARG 25 8.115 -7.786 3.368 210 2HH1 ARG 25 2HH1 ARG 25 9.771 -8.192 3.672 211 1HH2 ARG 25 1HH2 ARG 25 10.722 -4.975 4.671 212 2HH2 ARG 25 2HH2 ARG 25 11.238 -6.617 4.440 213 H LYS 26 H LYS 26 4.291 -6.488 8.291 214 HA LYS 26 HA LYS 26 1.765 -7.045 6.924 215 1HB LYS 26 2HB LYS 26 2.096 -7.555 9.379 216 2HB LYS 26 1HB LYS 26 2.208 -5.823 9.651 217 1HG LYS 26 2HG LYS 26 -0.067 -5.540 8.814 218 2HG LYS 26 1HG LYS 26 -0.175 -7.279 8.525 219 1HD LYS 26 2HD LYS 26 0.260 -7.642 10.951 220 2HD LYS 26 1HD LYS 26 0.169 -5.894 11.182 221 1HE LYS 26 2HE LYS 26 -1.957 -6.834 11.734 222 2HE LYS 26 1HE LYS 26 -2.120 -5.949 10.220 223 1HZ LYS 26 1HZ LYS 26 -2.148 -8.862 10.677 224 2HZ LYS 26 2HZ LYS 26 -1.683 -8.252 9.166 225 3HZ LYS 26 3HZ LYS 26 -3.226 -7.903 9.773 226 H ILE 27 H ILE 27 1.472 -5.535 5.348 227 HA ILE 27 HA ILE 27 2.344 -2.798 5.829 228 HB ILE 27 HB ILE 27 1.101 -3.947 3.328 229 1HG1 ILE 27 2HG1 ILE 27 4.024 -3.544 4.011 230 2HG1 ILE 27 1HG1 ILE 27 3.204 -5.097 3.883 231 1HG2 ILE 27 1HG2 ILE 27 2.110 -1.973 2.249 232 2HG2 ILE 27 2HG2 ILE 27 2.620 -1.397 3.836 233 3HG2 ILE 27 3HG2 ILE 27 0.904 -1.545 3.462 234 1HD1 ILE 27 1HD1 ILE 27 2.775 -4.673 1.517 235 2HD1 ILE 27 2HD1 ILE 27 4.499 -4.635 1.887 236 3HD1 ILE 27 3HD1 ILE 27 3.615 -3.127 1.644 237 H ALA 28 H ALA 28 0.929 -1.725 7.086 238 HA ALA 28 HA ALA 28 -1.881 -1.693 6.198 239 1HB ALA 28 1HB ALA 28 -1.574 -2.530 8.496 240 2HB ALA 28 2HB ALA 28 -2.485 -1.021 8.454 241 3HB ALA 28 3HB ALA 28 -0.786 -1.011 8.929 242 H PHE 29 H PHE 29 -1.729 -0.048 4.675 243 HA PHE 29 HA PHE 29 -0.463 2.421 5.591 244 1HB PHE 29 2HB PHE 29 -0.427 3.181 3.308 245 2HB PHE 29 1HB PHE 29 0.259 1.569 3.396 246 HD1 PHE 29 HD1 PHE 29 -0.907 -0.330 2.401 247 HD2 PHE 29 HD2 PHE 29 -2.459 3.622 2.108 248 HE1 PHE 29 HE1 PHE 29 -2.362 -1.042 0.550 249 HE2 PHE 29 HE2 PHE 29 -3.923 2.915 0.265 250 HZ PHE 29 HZ PHE 29 -3.874 0.582 -0.519 251 H THR 30 H THR 30 -1.502 4.126 6.147 252 HA THR 30 HA THR 30 -4.399 4.113 6.157 253 HB THR 30 HB THR 30 -2.502 6.218 7.226 254 HG1 THR 30 HG1 THR 30 -2.012 4.361 8.329 255 1HG2 THR 30 1HG2 THR 30 -4.824 6.954 6.979 256 2HG2 THR 30 2HG2 THR 30 -4.372 6.810 8.679 257 3HG2 THR 30 3HG2 THR 30 -5.363 5.563 7.920 258 H LEU 31 H LEU 31 -5.395 4.783 4.387 259 HA LEU 31 HA LEU 31 -4.159 6.814 2.681 260 1HB LEU 31 2HB LEU 31 -4.932 4.721 1.661 261 2HB LEU 31 1HB LEU 31 -6.553 5.018 2.250 262 HG LEU 31 HG LEU 31 -5.296 7.014 0.413 263 1HD1 LEU 31 1HD1 LEU 31 -6.571 4.408 -0.431 264 2HD1 LEU 31 2HD1 LEU 31 -4.883 4.869 -0.668 265 3HD1 LEU 31 3HD1 LEU 31 -6.162 5.744 -1.509 266 1HD2 LEU 31 1HD2 LEU 31 -8.118 5.997 0.789 267 2HD2 LEU 31 2HD2 LEU 31 -7.623 7.304 -0.284 268 3HD2 LEU 31 3HD2 LEU 31 -7.467 7.491 1.462 269 H ASN 32 H ASN 32 -5.108 8.785 2.241 270 HA ASN 32 HA ASN 32 -6.907 9.758 4.288 271 1HB ASN 32 2HB ASN 32 -4.896 11.042 3.517 272 2HB ASN 32 1HB ASN 32 -5.688 11.251 1.960 273 1HD2 ASN 32 1HD2 ASN 32 -5.759 13.442 2.082 274 2HD2 ASN 32 2HD2 ASN 32 -6.790 14.289 3.184 275 H VAL 33 H VAL 33 -9.035 9.612 4.051 276 HA VAL 33 HA VAL 33 -10.171 9.491 1.350 277 HB VAL 33 HB VAL 33 -11.667 8.919 3.889 278 1HG1 VAL 33 1HG1 VAL 33 -12.068 8.064 1.022 279 2HG1 VAL 33 2HG1 VAL 33 -13.017 9.269 1.896 280 3HG1 VAL 33 3HG1 VAL 33 -13.075 7.574 2.386 281 1HG2 VAL 33 1HG2 VAL 33 -10.081 6.978 2.216 282 2HG2 VAL 33 2HG2 VAL 33 -11.146 6.558 3.557 283 3HG2 VAL 33 3HG2 VAL 33 -9.686 7.500 3.854 284 H THR 34 H THR 34 -10.341 11.633 0.767 285 HA THR 34 HA THR 34 -12.110 13.281 2.450 286 HB THR 34 HB THR 34 -11.184 15.241 1.253 287 HG1 THR 34 HG1 THR 34 -9.285 14.913 -0.030 288 1HG2 THR 34 1HG2 THR 34 -9.091 13.502 2.559 289 2HG2 THR 34 2HG2 THR 34 -10.210 14.578 3.393 290 3HG2 THR 34 3HG2 THR 34 -8.976 15.245 2.321 291 H SER 35 H SER 35 -13.189 15.035 0.843 292 HA SER 35 HA SER 35 -14.905 13.580 -0.893 293 1HB SER 35 2HB SER 35 -14.475 16.573 -0.720 294 2HB SER 35 1HB SER 35 -15.871 15.757 -1.423 295 HG SER 35 HG SER 35 -16.672 15.470 0.502 296 H GLU 36 H GLU 36 -11.779 14.645 -1.253 297 HA GLU 36 HA GLU 36 -11.851 15.234 -4.082 298 1HB GLU 36 2HB GLU 36 -9.445 14.679 -2.344 299 2HB GLU 36 1HB GLU 36 -9.471 15.519 -3.889 300 1HG GLU 36 2HG GLU 36 -10.448 17.425 -2.967 301 2HG GLU 36 1HG GLU 36 -10.953 16.568 -1.509 302 H THR 37 H THR 37 -10.261 12.770 -2.069 303 HA THR 37 HA THR 37 -9.492 11.209 -4.327 304 HB THR 37 HB THR 37 -8.825 9.539 -2.507 305 HG1 THR 37 HG1 THR 37 -8.746 10.534 -0.378 306 1HG2 THR 37 1HG2 THR 37 -7.705 12.342 -2.367 307 2HG2 THR 37 2HG2 THR 37 -7.249 11.112 -3.546 308 3HG2 THR 37 3HG2 THR 37 -6.886 10.871 -1.837 309 H TYR 38 H TYR 38 -12.281 11.320 -2.338 310 HA TYR 38 HA TYR 38 -13.185 8.717 -2.295 311 1HB TYR 38 2HB TYR 38 -14.267 10.613 -1.126 312 2HB TYR 38 1HB TYR 38 -14.877 11.199 -2.669 313 HD1 TYR 38 HD2 TYR 38 -15.028 8.320 -0.326 314 HD2 TYR 38 HD1 TYR 38 -16.912 10.401 -3.524 315 HE1 TYR 38 HE2 TYR 38 -17.029 6.918 -0.051 316 HE2 TYR 38 HE1 TYR 38 -18.919 9.006 -3.258 317 HH TYR 38 HH TYR 38 -19.518 6.793 -2.347 318 H HIS 39 H HIS 39 -13.176 10.952 -4.990 319 HA HIS 39 HA HIS 39 -15.170 9.822 -6.585 320 1HB HIS 39 2HB HIS 39 -12.635 11.253 -7.393 321 2HB HIS 39 1HB HIS 39 -13.925 10.839 -8.513 322 HD1 HIS 39 HD1 HIS 39 -12.750 13.693 -7.049 323 HD2 HIS 39 HD2 HIS 39 -16.526 11.941 -7.058 324 HE1 HIS 39 HE1 HIS 39 -14.363 15.550 -6.530 325 HE2 HIS 39 HE2 HIS 39 -16.644 14.512 -6.780 326 H ASP 40 H ASP 40 -11.690 9.092 -6.499 327 HA ASP 40 HA ASP 40 -11.968 7.122 -8.594 328 1HB ASP 40 2HB ASP 40 -9.565 7.893 -6.928 329 2HB ASP 40 1HB ASP 40 -9.545 6.887 -8.367 330 H ILE 41 H ILE 41 -11.366 7.209 -5.125 331 HA ILE 41 HA ILE 41 -10.626 4.424 -5.039 332 HB ILE 41 HB ILE 41 -11.177 6.141 -2.626 333 1HG1 ILE 41 2HG1 ILE 41 -8.645 6.038 -4.282 334 2HG1 ILE 41 1HG1 ILE 41 -9.754 7.400 -4.212 335 1HG2 ILE 41 1HG2 ILE 41 -9.435 4.743 -1.619 336 2HG2 ILE 41 2HG2 ILE 41 -9.221 3.898 -3.151 337 3HG2 ILE 41 3HG2 ILE 41 -10.740 3.745 -2.268 338 1HD1 ILE 41 1HD1 ILE 41 -7.791 7.767 -2.839 339 2HD1 ILE 41 2HD1 ILE 41 -8.158 6.311 -1.916 340 3HD1 ILE 41 3HD1 ILE 41 -9.252 7.692 -1.855 341 H ALA 42 H ALA 42 -13.587 6.076 -4.996 342 HA ALA 42 HA ALA 42 -15.048 4.184 -3.419 343 1HB ALA 42 1HB ALA 42 -15.944 6.415 -3.824 344 2HB ALA 42 2HB ALA 42 -17.047 5.177 -4.426 345 3HB ALA 42 3HB ALA 42 -16.030 6.075 -5.554 346 H VAL 43 H VAL 43 -13.673 4.178 -6.513 347 HA VAL 43 HA VAL 43 -15.281 1.914 -7.419 348 HB VAL 43 HB VAL 43 -12.927 3.221 -8.796 349 1HG1 VAL 43 1HG1 VAL 43 -15.087 1.405 -9.858 350 2HG1 VAL 43 2HG1 VAL 43 -13.410 0.950 -9.556 351 3HG1 VAL 43 3HG1 VAL 43 -13.791 2.136 -10.805 352 1HG2 VAL 43 1HG2 VAL 43 -15.877 3.740 -9.173 353 2HG2 VAL 43 2HG2 VAL 43 -14.583 4.396 -10.175 354 3HG2 VAL 43 3HG2 VAL 43 -14.703 4.860 -8.479 355 H LEU 44 H LEU 44 -11.932 2.770 -6.607 356 HA LEU 44 HA LEU 44 -11.116 -0.016 -6.584 357 1HB LEU 44 2HB LEU 44 -9.594 1.748 -7.405 358 2HB LEU 44 1HB LEU 44 -9.607 2.489 -5.817 359 HG LEU 44 HG LEU 44 -8.539 0.465 -4.885 360 1HD1 LEU 44 1HD1 LEU 44 -8.371 -0.408 -7.763 361 2HD1 LEU 44 2HD1 LEU 44 -9.395 -1.133 -6.524 362 3HD1 LEU 44 3HD1 LEU 44 -7.638 -1.221 -6.378 363 1HD2 LEU 44 1HD2 LEU 44 -7.163 2.345 -5.555 364 2HD2 LEU 44 2HD2 LEU 44 -7.096 1.736 -7.209 365 3HD2 LEU 44 3HD2 LEU 44 -6.332 0.829 -5.902 366 H LEU 45 H LEU 45 -12.259 -0.971 -4.911 367 HA LEU 45 HA LEU 45 -12.019 0.257 -2.265 368 1HB LEU 45 2HB LEU 45 -14.226 -1.410 -3.463 369 2HB LEU 45 1HB LEU 45 -14.099 -1.105 -1.744 370 HG LEU 45 HG LEU 45 -14.397 1.060 -3.829 371 1HD1 LEU 45 1HD1 LEU 45 -16.704 1.241 -3.040 372 2HD1 LEU 45 2HD1 LEU 45 -16.456 -0.150 -1.984 373 3HD1 LEU 45 3HD1 LEU 45 -16.392 -0.351 -3.735 374 1HD2 LEU 45 1HD2 LEU 45 -14.887 2.483 -1.906 375 2HD2 LEU 45 2HD2 LEU 45 -13.273 1.785 -1.783 376 3HD2 LEU 45 3HD2 LEU 45 -14.594 1.127 -0.820 377 H TYR 46 H TYR 46 -10.114 -0.791 -1.819 378 HA TYR 46 HA TYR 46 -8.786 -2.453 -0.931 379 1HB TYR 46 2HB TYR 46 -9.994 -3.632 0.993 380 2HB TYR 46 1HB TYR 46 -9.879 -1.879 1.041 381 HD1 TYR 46 HD1 TYR 46 -12.142 -4.737 0.605 382 HD2 TYR 46 HD2 TYR 46 -11.853 -0.505 0.862 383 HE1 TYR 46 HE1 TYR 46 -14.572 -4.598 0.896 384 HE2 TYR 46 HE2 TYR 46 -14.284 -0.352 1.150 385 HH TYR 46 HH TYR 46 -16.250 -1.505 0.937 386 H GLU 47 H GLU 47 -8.692 -3.628 -3.010 387 HA GLU 47 HA GLU 47 -10.443 -5.762 -3.575 388 1HB GLU 47 2HB GLU 47 -7.741 -4.994 -4.614 389 2HB GLU 47 1HB GLU 47 -8.504 -6.508 -5.094 390 1HG GLU 47 2HG GLU 47 -9.812 -3.819 -5.408 391 2HG GLU 47 1HG GLU 47 -8.844 -4.592 -6.663 392 H LYS 48 H LYS 48 -9.678 -7.962 -3.946 393 HA LYS 48 HA LYS 48 -9.011 -9.290 -1.583 394 1HB LYS 48 2HB LYS 48 -8.647 -10.383 -4.375 395 2HB LYS 48 1HB LYS 48 -9.070 -11.267 -2.913 396 1HG LYS 48 2HG LYS 48 -11.256 -10.552 -2.952 397 2HG LYS 48 1HG LYS 48 -10.886 -9.119 -3.899 398 1HD LYS 48 2HD LYS 48 -10.750 -11.938 -4.963 399 2HD LYS 48 1HD LYS 48 -12.134 -10.860 -5.163 400 1HE LYS 48 2HE LYS 48 -10.604 -9.222 -6.252 401 2HE LYS 48 1HE LYS 48 -9.332 -10.437 -6.185 402 1HZ LYS 48 1HZ LYS 48 -10.454 -10.360 -8.335 403 2HZ LYS 48 2HZ LYS 48 -11.925 -10.761 -7.600 404 3HZ LYS 48 3HZ LYS 48 -10.639 -11.869 -7.593 405 H THR 49 H THR 49 -7.122 -8.732 -4.522 406 HA THR 49 HA THR 49 -4.654 -9.124 -2.984 407 HB THR 49 HB THR 49 -3.741 -9.888 -5.317 408 HG1 THR 49 HG1 THR 49 -6.288 -11.008 -5.666 409 1HG2 THR 49 1HG2 THR 49 -5.492 -11.686 -3.634 410 2HG2 THR 49 2HG2 THR 49 -3.794 -11.311 -3.334 411 3HG2 THR 49 3HG2 THR 49 -4.253 -12.224 -4.772 412 H PHE 50 H PHE 50 -2.852 -7.892 -3.686 413 HA PHE 50 HA PHE 50 -3.465 -5.666 -5.514 414 1HB PHE 50 2HB PHE 50 -2.033 -5.443 -2.855 415 2HB PHE 50 1HB PHE 50 -2.220 -4.141 -4.020 416 HD1 PHE 50 HD2 PHE 50 -3.901 -6.196 -1.505 417 HD2 PHE 50 HD1 PHE 50 -4.312 -2.987 -4.267 418 HE1 PHE 50 HE2 PHE 50 -5.993 -5.521 -0.400 419 HE2 PHE 50 HE1 PHE 50 -6.403 -2.302 -3.167 420 HZ PHE 50 HZ PHE 50 -7.245 -3.571 -1.232 421 H ASN 51 H ASN 51 -1.974 -5.567 -7.108 422 HA ASN 51 HA ASN 51 0.582 -6.865 -6.839 423 1HB ASN 51 2HB ASN 51 -0.668 -6.598 -9.028 424 2HB ASN 51 1HB ASN 51 -0.245 -4.889 -8.976 425 1HD2 ASN 51 1HD2 ASN 51 1.928 -4.283 -9.240 426 2HD2 ASN 51 2HD2 ASN 51 3.086 -5.358 -9.938 427 H VAL 52 H VAL 52 1.697 -5.940 -5.191 428 HA VAL 52 HA VAL 52 1.784 -3.068 -4.865 429 HB VAL 52 HB VAL 52 3.198 -5.215 -3.274 430 1HG1 VAL 52 1HG1 VAL 52 4.189 -2.980 -3.047 431 2HG1 VAL 52 2HG1 VAL 52 3.432 -3.524 -1.551 432 3HG1 VAL 52 3HG1 VAL 52 2.617 -2.340 -2.572 433 1HG2 VAL 52 1HG2 VAL 52 0.799 -5.542 -3.178 434 2HG2 VAL 52 2HG2 VAL 52 0.561 -3.847 -2.754 435 3HG2 VAL 52 3HG2 VAL 52 1.390 -4.928 -1.633 436 H GLU 53 H GLU 53 3.028 -2.097 -6.369 437 HA GLU 53 HA GLU 53 5.797 -3.059 -6.657 438 1HB GLU 53 2HB GLU 53 4.455 -2.895 -8.768 439 2HB GLU 53 1HB GLU 53 4.271 -1.172 -8.468 440 1HG GLU 53 2HG GLU 53 6.989 -1.541 -8.304 441 2HG GLU 53 1HG GLU 53 6.507 -2.646 -9.590 442 H VAL 54 H VAL 54 7.133 -2.094 -5.435 443 HA VAL 54 HA VAL 54 6.792 0.791 -5.055 444 HB VAL 54 HB VAL 54 6.409 -0.283 -2.945 445 1HG1 VAL 54 1HG1 VAL 54 7.529 -2.411 -3.351 446 2HG1 VAL 54 2HG1 VAL 54 8.032 -1.686 -1.823 447 3HG1 VAL 54 3HG1 VAL 54 9.094 -1.605 -3.229 448 1HG2 VAL 54 1HG2 VAL 54 7.603 1.799 -2.895 449 2HG2 VAL 54 2HG2 VAL 54 9.136 0.948 -3.067 450 3HG2 VAL 54 3HG2 VAL 54 8.175 0.744 -1.601 451 HA PRO 55 HA PRO 55 10.598 0.374 -7.512 452 1HB PRO 55 2HB PRO 55 10.501 2.962 -8.393 453 2HB PRO 55 1HB PRO 55 9.645 1.629 -9.176 454 1HG PRO 55 2HG PRO 55 8.615 3.678 -7.258 455 2HG PRO 55 1HG PRO 55 7.852 3.027 -8.721 456 1HD PRO 55 2HD PRO 55 7.159 2.200 -6.252 457 2HD PRO 55 1HD PRO 55 7.146 1.109 -7.651 458 H GLU 56 H GLU 56 9.621 2.580 -5.036 459 HA GLU 56 HA GLU 56 12.084 3.944 -4.680 460 1HB GLU 56 2HB GLU 56 9.742 4.597 -3.850 461 2HB GLU 56 1HB GLU 56 10.029 3.474 -2.528 462 1HG GLU 56 2HG GLU 56 11.985 4.761 -1.850 463 2HG GLU 56 1HG GLU 56 11.719 5.875 -3.191 464 H ARG 57 H ARG 57 10.968 0.816 -3.813 465 HA ARG 57 HA ARG 57 13.455 0.374 -2.301 466 1HB ARG 57 2HB ARG 57 10.710 -0.751 -1.725 467 2HB ARG 57 1HB ARG 57 12.183 -1.442 -1.059 468 1HG ARG 57 2HG ARG 57 12.675 0.801 -0.059 469 2HG ARG 57 1HG ARG 57 11.068 1.309 -0.575 470 1HD ARG 57 2HD ARG 57 11.597 -1.065 1.205 471 2HD ARG 57 1HD ARG 57 11.223 0.547 1.805 472 HE ARG 57 HE ARG 57 9.208 -0.166 0.024 473 1HH1 ARG 57 1HH1 ARG 57 10.473 -1.313 3.074 474 2HH1 ARG 57 2HH1 ARG 57 8.924 -1.825 3.683 475 1HH2 ARG 57 1HH2 ARG 57 7.162 -0.868 0.814 476 2HH2 ARG 57 2HH2 ARG 57 7.052 -1.558 2.407 477 H ASP 58 H ASP 58 12.329 -0.018 -5.146 478 HA ASP 58 HA ASP 58 12.383 -1.512 -6.858 479 1HB ASP 58 2HB ASP 58 14.831 -2.171 -5.255 480 2HB ASP 58 1HB ASP 58 14.453 -3.080 -6.715 481 H LEU 59 H LEU 59 10.428 -2.299 -5.189 482 HA LEU 59 HA LEU 59 10.818 -5.217 -5.005 483 1HB LEU 59 2HB LEU 59 10.296 -3.491 -2.922 484 2HB LEU 59 1HB LEU 59 8.702 -4.087 -3.331 485 HG LEU 59 HG LEU 59 11.078 -5.773 -2.534 486 1HD1 LEU 59 1HD1 LEU 59 9.701 -6.276 -0.565 487 2HD1 LEU 59 2HD1 LEU 59 8.485 -5.130 -1.135 488 3HD1 LEU 59 3HD1 LEU 59 10.089 -4.558 -0.680 489 1HD2 LEU 59 1HD2 LEU 59 8.253 -6.603 -3.200 490 2HD2 LEU 59 2HD2 LEU 59 9.529 -7.656 -2.585 491 3HD2 LEU 59 3HD2 LEU 59 9.680 -6.927 -4.183 492 H ALA 60 H ALA 60 9.825 -5.977 -6.784 493 HA ALA 60 HA ALA 60 7.099 -5.082 -7.391 494 1HB ALA 60 1HB ALA 60 8.669 -5.354 -9.271 495 2HB ALA 60 2HB ALA 60 7.291 -6.448 -9.401 496 3HB ALA 60 3HB ALA 60 8.854 -7.059 -8.857 497 H PHE 61 H PHE 61 5.672 -5.987 -6.021 498 HA PHE 61 HA PHE 61 5.920 -8.865 -5.457 499 1HB PHE 61 2HB PHE 61 6.889 -7.339 -3.654 500 2HB PHE 61 1HB PHE 61 5.246 -6.783 -3.374 501 HD1 PHE 61 HD1 PHE 61 7.097 -10.010 -3.666 502 HD2 PHE 61 HD2 PHE 61 4.117 -7.748 -1.642 503 HE1 PHE 61 HE1 PHE 61 6.765 -11.870 -2.088 504 HE2 PHE 61 HE2 PHE 61 3.776 -9.604 -0.062 505 HZ PHE 61 HZ PHE 61 5.103 -11.668 -0.282 506 H ARG 62 H ARG 62 3.876 -9.751 -4.515 507 HA ARG 62 HA ARG 62 1.514 -8.119 -5.133 508 1HB ARG 62 2HB ARG 62 1.755 -9.836 -6.888 509 2HB ARG 62 1HB ARG 62 1.805 -11.092 -5.659 510 1HG ARG 62 2HG ARG 62 -0.474 -10.549 -4.991 511 2HG ARG 62 1HG ARG 62 -0.529 -9.262 -6.195 512 1HD ARG 62 2HD ARG 62 -1.662 -11.258 -7.002 513 2HD ARG 62 1HD ARG 62 -0.234 -10.911 -7.974 514 HE ARG 62 HE ARG 62 0.893 -12.716 -6.799 515 1HH1 ARG 62 1HH1 ARG 62 -2.593 -12.594 -6.493 516 2HH1 ARG 62 2HH1 ARG 62 -2.744 -14.281 -6.115 517 1HH2 ARG 62 1HH2 ARG 62 0.685 -14.954 -6.361 518 2HH2 ARG 62 2HH2 ARG 62 -0.895 -15.619 -6.031 519 H GLY 63 H GLY 63 0.055 -8.025 -3.505 520 1HA GLY 63 2HA GLY 63 0.501 -9.869 -1.235 521 2HA GLY 63 1HA GLY 63 0.152 -8.161 -1.014 522 H GLU 64 H GLU 64 -1.415 -9.934 0.268 523 HA GLU 64 HA GLU 64 -3.973 -9.492 -1.067 524 1HB GLU 64 2HB GLU 64 -4.764 -11.750 -0.492 525 2HB GLU 64 1HB GLU 64 -3.402 -11.815 -1.600 526 1HG GLU 64 2HG GLU 64 -1.909 -12.399 0.207 527 2HG GLU 64 1HG GLU 64 -3.213 -12.221 1.376 528 H MET 65 H MET 65 -5.716 -9.213 0.407 529 HA MET 65 HA MET 65 -4.979 -8.459 3.064 530 1HB MET 65 2HB MET 65 -7.624 -8.772 1.672 531 2HB MET 65 1HB MET 65 -7.539 -8.484 3.404 532 1HG MET 65 2HG MET 65 -6.277 -6.420 2.976 533 2HG MET 65 1HG MET 65 -6.460 -6.696 1.242 534 1HE MET 65 1HE MET 65 -7.420 -4.057 1.496 535 2HE MET 65 2HE MET 65 -7.402 -4.183 3.254 536 3HE MET 65 3HE MET 65 -8.875 -3.687 2.419 537 H THR 66 H THR 66 -4.227 -10.041 4.330 538 HA THR 66 HA THR 66 -5.288 -12.724 4.113 539 HB THR 66 HB THR 66 -3.417 -13.036 5.959 540 HG1 THR 66 HG1 THR 66 -1.960 -11.099 4.773 541 1HG2 THR 66 1HG2 THR 66 -3.385 -13.939 3.646 542 2HG2 THR 66 2HG2 THR 66 -1.794 -13.414 4.199 543 3HG2 THR 66 3HG2 THR 66 -2.722 -12.404 3.090 544 H ASN 67 H ASN 67 -6.004 -10.024 5.959 545 HA ASN 67 HA ASN 67 -7.126 -11.681 8.110 546 1HB ASN 67 2HB ASN 67 -5.858 -8.990 8.632 547 2HB ASN 67 1HB ASN 67 -6.372 -10.190 9.811 548 1HD2 ASN 67 1HD2 ASN 67 -3.958 -9.249 7.535 549 2HD2 ASN 67 2HD2 ASN 67 -2.743 -10.383 8.030 550 H TYR 68 H TYR 68 -8.867 -10.615 9.282 551 HA TYR 68 HA TYR 68 -10.424 -8.813 7.614 552 1HB TYR 68 2HB TYR 68 -11.099 -9.918 10.356 553 2HB TYR 68 1HB TYR 68 -12.207 -9.126 9.240 554 HD1 TYR 68 HD1 TYR 68 -12.955 -10.303 7.200 555 HD2 TYR 68 HD2 TYR 68 -10.516 -12.221 10.108 556 HE1 TYR 68 HE1 TYR 68 -13.546 -12.493 6.245 557 HE2 TYR 68 HE2 TYR 68 -11.094 -14.413 9.164 558 HH TYR 68 HH TYR 68 -12.850 -15.436 7.852 559 H SER 69 H SER 69 -8.910 -7.049 7.751 560 HA SER 69 HA SER 69 -8.806 -5.771 10.400 561 1HB SER 69 2HB SER 69 -6.623 -6.550 9.375 562 2HB SER 69 1HB SER 69 -6.870 -5.331 8.126 563 HG SER 69 HG SER 69 -5.660 -4.926 10.320 564 H THR 70 H THR 70 -9.787 -3.891 10.620 565 HA THR 70 HA THR 70 -10.026 -2.026 8.422 566 HB THR 70 HB THR 70 -12.507 -3.155 9.749 567 HG1 THR 70 HG1 THR 70 -11.135 -3.905 7.541 568 1HG2 THR 70 1HG2 THR 70 -12.703 -0.754 9.272 569 2HG2 THR 70 2HG2 THR 70 -13.743 -1.702 8.206 570 3HG2 THR 70 3HG2 THR 70 -12.223 -1.044 7.601 571 H SER 71 H SER 71 -9.454 -0.148 9.313 572 HA SER 71 HA SER 71 -10.501 0.460 11.981 573 1HB SER 71 2HB SER 71 -7.867 1.330 10.784 574 2HB SER 71 1HB SER 71 -8.524 1.942 12.304 575 HG SER 71 HG SER 71 -8.668 -0.627 12.547 576 H LEU 72 H LEU 72 -12.042 1.917 11.872 577 HA LEU 72 HA LEU 72 -13.342 3.659 11.263 578 1HB LEU 72 2HB LEU 72 -10.702 4.677 10.250 579 2HB LEU 72 1HB LEU 72 -12.180 5.589 10.017 580 HG LEU 72 HG LEU 72 -12.486 5.526 12.529 581 1HD1 LEU 72 1HD1 LEU 72 -10.494 5.146 13.887 582 2HD1 LEU 72 2HD1 LEU 72 -9.616 4.611 12.454 583 3HD1 LEU 72 3HD1 LEU 72 -10.994 3.679 13.043 584 1HD2 LEU 72 1HD2 LEU 72 -10.901 7.353 12.903 585 2HD2 LEU 72 2HD2 LEU 72 -11.724 7.509 11.351 586 3HD2 LEU 72 3HD2 LEU 72 -10.061 6.925 11.415 587 H THR 73 H THR 73 -13.950 5.069 9.240 588 HA THR 73 HA THR 73 -14.976 5.184 7.263 589 HB THR 73 HB THR 73 -14.022 4.091 5.243 590 HG1 THR 73 HG1 THR 73 -12.300 2.946 7.166 591 1HG2 THR 73 1HG2 THR 73 -13.330 6.329 5.955 592 2HG2 THR 73 2HG2 THR 73 -12.018 5.464 5.161 593 3HG2 THR 73 3HG2 THR 73 -12.034 5.619 6.919 594 H ASN 74 H ASN 74 -14.470 1.945 8.451 595 HA ASN 74 HA ASN 74 -15.878 0.177 8.628 596 1HB ASN 74 2HB ASN 74 -18.010 2.039 7.546 597 2HB ASN 74 1HB ASN 74 -18.291 0.489 8.330 598 1HD2 ASN 74 1HD2 ASN 74 -19.234 3.145 9.045 599 2HD2 ASN 74 2HD2 ASN 74 -18.676 3.447 10.657 600 H LEU 75 H LEU 75 -14.649 1.325 6.012 601 HA LEU 75 HA LEU 75 -14.333 0.680 3.877 602 1HB LEU 75 2HB LEU 75 -15.777 -1.789 4.824 603 2HB LEU 75 1HB LEU 75 -14.969 -1.654 3.272 604 HG LEU 75 HG LEU 75 -13.698 -1.610 6.009 605 1HD1 LEU 75 1HD1 LEU 75 -13.356 -3.493 3.677 606 2HD1 LEU 75 2HD1 LEU 75 -14.327 -3.813 5.115 607 3HD1 LEU 75 3HD1 LEU 75 -12.580 -3.617 5.260 608 1HD2 LEU 75 1HD2 LEU 75 -12.596 0.029 4.571 609 2HD2 LEU 75 2HD2 LEU 75 -12.384 -1.198 3.323 610 3HD2 LEU 75 3HD2 LEU 75 -11.556 -1.364 4.872 611 H TYR 76 H TYR 76 -16.940 1.971 4.831 612 HA TYR 76 HA TYR 76 -18.241 1.874 2.253 613 1HB TYR 76 2HB TYR 76 -19.344 0.016 3.390 614 2HB TYR 76 1HB TYR 76 -19.730 1.055 4.755 615 HD1 TYR 76 HD1 TYR 76 -20.399 0.546 1.133 616 HD2 TYR 76 HD2 TYR 76 -21.708 2.332 4.766 617 HE1 TYR 76 HE1 TYR 76 -22.531 1.151 0.064 618 HE2 TYR 76 HE2 TYR 76 -23.839 2.941 3.708 619 HH TYR 76 HH TYR 76 -24.742 3.333 1.495 620 H GLU 77 H GLU 77 -19.063 2.917 5.557 621 HA GLU 77 HA GLU 77 -19.775 5.539 4.439 622 1HB GLU 77 2HB GLU 77 -21.574 4.240 5.553 623 2HB GLU 77 1HB GLU 77 -20.647 4.280 7.045 624 1HG GLU 77 2HG GLU 77 -20.838 6.702 7.118 625 2HG GLU 77 1HG GLU 77 -21.736 6.685 5.599 626 HA PRO 78 HA PRO 78 -16.124 6.705 6.812 627 1HB PRO 78 2HB PRO 78 -15.635 8.839 5.023 628 2HB PRO 78 1HB PRO 78 -14.878 7.247 5.012 629 1HG PRO 78 2HG PRO 78 -16.596 8.262 3.052 630 2HG PRO 78 1HG PRO 78 -16.131 6.566 3.254 631 1HD PRO 78 2HD PRO 78 -18.617 7.965 4.126 632 2HD PRO 78 1HD PRO 78 -18.399 6.299 3.544 633 H GLY 79 H GLY 79 -17.312 9.650 5.278 634 1HA GLY 79 2HA GLY 79 -18.820 10.897 7.135 635 2HA GLY 79 1HA GLY 79 -17.200 11.034 7.812 636 H ALA 80 H ALA 80 -16.193 12.886 7.323 637 HA ALA 80 HA ALA 80 -16.781 14.152 4.723 638 1HB ALA 80 1HB ALA 80 -15.756 15.451 7.251 639 2HB ALA 80 2HB ALA 80 -17.417 15.533 6.664 640 3HB ALA 80 3HB ALA 80 -16.114 16.270 5.731 641 H VAL 81 H VAL 81 -14.315 13.496 7.139 642 HA VAL 81 HA VAL 81 -12.467 12.836 4.974 643 HB VAL 81 HB VAL 81 -11.800 15.056 5.818 644 1HG1 VAL 81 1HG1 VAL 81 -10.910 15.297 8.096 645 2HG1 VAL 81 2HG1 VAL 81 -11.481 13.670 8.469 646 3HG1 VAL 81 3HG1 VAL 81 -12.639 14.941 8.075 647 1HG2 VAL 81 1HG2 VAL 81 -10.080 13.566 4.967 648 2HG2 VAL 81 2HG2 VAL 81 -9.900 12.832 6.561 649 3HG2 VAL 81 3HG2 VAL 81 -9.444 14.516 6.310 650 H SER 82 H SER 82 -11.350 10.952 5.372 651 HA SER 82 HA SER 82 -11.538 9.741 8.009 652 1HB SER 82 2HB SER 82 -12.886 8.585 5.565 653 2HB SER 82 1HB SER 82 -12.624 7.689 7.060 654 HG SER 82 HG SER 82 -13.746 10.041 7.644 655 H GLU 83 H GLU 83 -10.624 7.385 7.827 656 HA GLU 83 HA GLU 83 -8.224 7.521 6.134 657 1HB GLU 83 2HB GLU 83 -8.535 6.424 8.932 658 2HB GLU 83 1HB GLU 83 -7.100 6.205 7.946 659 1HG GLU 83 2HG GLU 83 -6.529 7.967 9.312 660 2HG GLU 83 1HG GLU 83 -7.048 8.776 7.838 661 H PHE 84 H PHE 84 -8.294 6.022 4.575 662 HA PHE 84 HA PHE 84 -9.747 3.548 4.939 663 1HB PHE 84 2HB PHE 84 -8.262 4.801 2.682 664 2HB PHE 84 1HB PHE 84 -8.402 3.049 2.681 665 HD1 PHE 84 HD2 PHE 84 -11.258 4.098 4.294 666 HD2 PHE 84 HD1 PHE 84 -9.496 4.092 0.420 667 HE1 PHE 84 HE2 PHE 84 -13.487 4.307 3.290 668 HE2 PHE 84 HE1 PHE 84 -11.726 4.290 -0.597 669 HZ PHE 84 HZ PHE 84 -13.727 4.399 0.831 670 H TYR 85 H TYR 85 -8.958 2.095 6.200 671 HA TYR 85 HA TYR 85 -6.095 1.835 6.588 672 1HB TYR 85 2HB TYR 85 -7.732 1.910 8.484 673 2HB TYR 85 1HB TYR 85 -8.365 0.367 7.934 674 HD1 TYR 85 HD1 TYR 85 -4.883 1.658 8.454 675 HD2 TYR 85 HD2 TYR 85 -7.809 -1.275 9.396 676 HE1 TYR 85 HE1 TYR 85 -3.256 0.502 9.893 677 HE2 TYR 85 HE2 TYR 85 -6.210 -2.431 10.837 678 HH TYR 85 HH TYR 85 -3.752 -2.638 11.077 679 H ILE 86 H ILE 86 -5.473 0.934 4.614 680 HA ILE 86 HA ILE 86 -6.674 -1.604 3.769 681 HB ILE 86 HB ILE 86 -4.372 -0.163 2.453 682 1HG1 ILE 86 2HG1 ILE 86 -6.259 1.401 2.636 683 2HG1 ILE 86 1HG1 ILE 86 -6.015 0.900 0.966 684 1HG2 ILE 86 1HG2 ILE 86 -6.414 -2.130 1.422 685 2HG2 ILE 86 2HG2 ILE 86 -4.720 -2.478 1.779 686 3HG2 ILE 86 3HG2 ILE 86 -5.139 -1.378 0.463 687 1HD1 ILE 86 1HD1 ILE 86 -8.367 0.993 1.518 688 2HD1 ILE 86 2HD1 ILE 86 -8.119 -0.140 2.846 689 3HD1 ILE 86 3HD1 ILE 86 -7.879 -0.668 1.180 690 H GLU 87 H GLU 87 -5.938 -3.192 5.152 691 HA GLU 87 HA GLU 87 -3.084 -3.264 5.776 692 1HB GLU 87 2HB GLU 87 -4.691 -3.468 7.646 693 2HB GLU 87 1HB GLU 87 -5.322 -4.940 6.924 694 1HG GLU 87 2HG GLU 87 -2.420 -4.925 7.356 695 2HG GLU 87 1HG GLU 87 -3.392 -4.848 8.822 696 H ILE 88 H ILE 88 -1.771 -4.502 4.725 697 HA ILE 88 HA ILE 88 -2.765 -6.967 3.451 698 HB ILE 88 HB ILE 88 -0.662 -5.161 2.247 699 1HG1 ILE 88 2HG1 ILE 88 -3.546 -5.415 1.377 700 2HG1 ILE 88 1HG1 ILE 88 -2.914 -4.069 2.325 701 1HG2 ILE 88 1HG2 ILE 88 -2.208 -7.489 1.115 702 2HG2 ILE 88 2HG2 ILE 88 -0.515 -7.504 1.611 703 3HG2 ILE 88 3HG2 ILE 88 -1.025 -6.514 0.243 704 1HD1 ILE 88 1HD1 ILE 88 -1.352 -3.565 0.489 705 2HD1 ILE 88 2HD1 ILE 88 -3.050 -3.443 0.024 706 3HD1 ILE 88 3HD1 ILE 88 -2.103 -4.851 -0.458 707 H THR 89 H THR 89 -1.911 -8.168 5.203 708 HA THR 89 HA THR 89 0.861 -8.096 5.857 709 HB THR 89 HB THR 89 -1.020 -10.446 6.192 710 HG1 THR 89 HG1 THR 89 -1.752 -8.325 7.099 711 1HG2 THR 89 1HG2 THR 89 1.420 -9.581 7.744 712 2HG2 THR 89 2HG2 THR 89 1.353 -10.921 6.600 713 3HG2 THR 89 3HG2 THR 89 0.417 -10.988 8.092 714 H GLU 90 H GLU 90 2.507 -9.518 5.168 715 HA GLU 90 HA GLU 90 2.862 -9.726 2.498 716 1HB GLU 90 2HB GLU 90 4.503 -10.088 4.472 717 2HB GLU 90 1HB GLU 90 4.094 -11.790 4.296 718 1HG GLU 90 2HG GLU 90 5.084 -11.950 2.219 719 2HG GLU 90 1HG GLU 90 4.975 -10.216 1.920 720 H ILE 91 H ILE 91 2.652 -11.240 0.896 721 HA ILE 91 HA ILE 91 0.079 -12.303 0.892 722 HB ILE 91 HB ILE 91 1.302 -11.449 -1.105 723 1HG1 ILE 91 2HG1 ILE 91 0.113 -14.221 -1.358 724 2HG1 ILE 91 1HG1 ILE 91 -0.788 -12.711 -1.336 725 1HG2 ILE 91 1HG2 ILE 91 2.746 -13.003 -2.349 726 2HG2 ILE 91 2HG2 ILE 91 2.669 -14.130 -0.995 727 3HG2 ILE 91 3HG2 ILE 91 3.429 -12.552 -0.786 728 1HD1 ILE 91 1HD1 ILE 91 1.192 -13.537 -3.442 729 2HD1 ILE 91 2HD1 ILE 91 0.254 -12.042 -3.427 730 3HD1 ILE 91 3HD1 ILE 91 -0.564 -13.598 -3.588 731 H ASP 92 H ASP 92 -0.776 -14.291 0.783 732 HA ASP 92 HA ASP 92 -1.060 -16.532 0.906 733 1HB ASP 92 2HB ASP 92 0.933 -16.248 -0.826 734 2HB ASP 92 1HB ASP 92 1.803 -17.113 0.410 735 H LYS 93 H LYS 93 1.038 -18.436 1.572 736 HA LYS 93 HA LYS 93 1.158 -17.838 4.398 737 1HB LYS 93 2HB LYS 93 1.247 -20.511 2.998 738 2HB LYS 93 1HB LYS 93 1.442 -20.307 4.731 739 1HG LYS 93 2HG LYS 93 -0.794 -20.975 4.389 740 2HG LYS 93 1HG LYS 93 -0.848 -19.253 4.760 741 1HD LYS 93 2HD LYS 93 -0.941 -18.822 2.283 742 2HD LYS 93 1HD LYS 93 -1.116 -20.562 2.053 743 1HE LYS 93 2HE LYS 93 -3.169 -20.555 3.344 744 2HE LYS 93 1HE LYS 93 -2.979 -18.836 3.682 745 1HZ LYS 93 1HZ LYS 93 -3.406 -20.049 0.996 746 2HZ LYS 93 2HZ LYS 93 -3.197 -18.394 1.298 747 3HZ LYS 93 3HZ LYS 93 -4.559 -19.200 1.902 748 H ASN 94 H ASN 94 2.933 -17.398 1.931 749 HA ASN 94 HA ASN 94 5.099 -16.854 1.572 750 1HB ASN 94 2HB ASN 94 4.642 -15.847 3.857 751 2HB ASN 94 1HB ASN 94 5.473 -17.240 4.528 752 1HD2 ASN 94 1HD2 ASN 94 5.794 -14.275 2.787 753 2HD2 ASN 94 2HD2 ASN 94 7.514 -14.166 2.875 754 H ALA 95 H ALA 95 4.242 -19.868 2.192 755 HA ALA 95 HA ALA 95 6.690 -21.045 3.110 756 1HB ALA 95 1HB ALA 95 4.228 -22.383 2.008 757 2HB ALA 95 2HB ALA 95 4.497 -21.967 3.700 758 3HB ALA 95 3HB ALA 95 5.526 -23.160 2.911 759 H ASP 96 H ASP 96 4.853 -21.456 0.066 760 HA ASP 96 HA ASP 96 6.994 -22.981 -1.070 761 1HB ASP 96 2HB ASP 96 4.346 -22.052 -2.155 762 2HB ASP 96 1HB ASP 96 5.518 -22.905 -3.153 763 H SER 97 H SER 97 7.590 -22.499 -3.421 764 HA SER 97 HA SER 97 8.201 -19.689 -3.860 765 1HB SER 97 2HB SER 97 10.611 -20.554 -4.331 766 2HB SER 97 1HB SER 97 10.137 -20.247 -2.663 767 HG SER 97 HG SER 97 10.799 -22.600 -3.918 768 H LEU 98 H LEU 98 6.532 -21.762 -5.076 769 HA LEU 98 HA LEU 98 7.891 -22.798 -7.371 770 1HB LEU 98 2HB LEU 98 5.166 -22.968 -6.225 771 2HB LEU 98 1HB LEU 98 5.334 -23.304 -7.941 772 HG LEU 98 HG LEU 98 5.406 -25.381 -6.751 773 1HD1 LEU 98 1HD1 LEU 98 8.193 -24.599 -7.594 774 2HD1 LEU 98 2HD1 LEU 98 6.914 -25.201 -8.651 775 3HD1 LEU 98 3HD1 LEU 98 7.595 -26.247 -7.405 776 1HD2 LEU 98 1HD2 LEU 98 7.104 -25.856 -5.040 777 2HD2 LEU 98 2HD2 LEU 98 6.000 -24.572 -4.546 778 3HD2 LEU 98 3HD2 LEU 98 7.625 -24.170 -5.104 779 H GLU 99 H GLU 99 6.893 -22.532 -9.574 780 HA GLU 99 HA GLU 99 6.905 -19.689 -10.138 781 1HB GLU 99 2HB GLU 99 7.460 -22.160 -11.689 782 2HB GLU 99 1HB GLU 99 6.902 -20.749 -12.579 783 1HG GLU 99 2HG GLU 99 9.304 -20.839 -10.766 784 2HG GLU 99 1HG GLU 99 9.334 -20.897 -12.530 785 H HIS 100 H HIS 100 5.273 -18.543 -10.795 786 HA HIS 100 HA HIS 100 3.310 -17.850 -11.663 787 1HB HIS 100 2HB HIS 100 4.213 -19.732 -13.418 788 2HB HIS 100 1HB HIS 100 2.623 -20.369 -13.019 789 HD1 HIS 100 HD1 HIS 100 4.312 -17.438 -14.638 790 HD2 HIS 100 HD2 HIS 100 0.472 -18.936 -14.074 791 HE1 HIS 100 HE1 HIS 100 2.822 -16.071 -16.141 792 HE2 HIS 100 HE2 HIS 100 0.485 -16.899 -15.676 793 H HIS 101 H HIS 101 2.267 -21.199 -11.664 794 HA HIS 101 HA HIS 101 0.834 -21.226 -9.255 795 1HB HIS 101 2HB HIS 101 -0.429 -19.391 -10.458 796 2HB HIS 101 1HB HIS 101 -0.896 -20.587 -11.660 797 HD1 HIS 101 HD1 HIS 101 -3.097 -21.631 -11.254 798 HD2 HIS 101 HD2 HIS 101 -1.372 -20.230 -7.737 799 HE1 HIS 101 HE1 HIS 101 -4.783 -22.078 -9.443 800 HE2 HIS 101 HE2 HIS 101 -3.726 -21.221 -7.321 801 H HIS 102 H HIS 102 -0.146 -23.269 -8.958 802 HA HIS 102 HA HIS 102 0.830 -25.294 -10.698 803 1HB HIS 102 2HB HIS 102 -0.963 -25.331 -8.293 804 2HB HIS 102 1HB HIS 102 -0.723 -26.786 -9.251 805 HD1 HIS 102 HD1 HIS 102 0.213 -26.465 -6.264 806 HD2 HIS 102 HD2 HIS 102 2.610 -26.031 -9.637 807 HE1 HIS 102 HE1 HIS 102 2.569 -26.880 -5.484 808 HE2 HIS 102 HE2 HIS 102 3.943 -26.910 -7.600 809 H HIS 103 H HIS 103 0.055 -25.748 -12.600 810 HA HIS 103 HA HIS 103 -2.815 -26.243 -12.860 811 1HB HIS 103 2HB HIS 103 -2.935 -25.208 -15.049 812 2HB HIS 103 1HB HIS 103 -2.336 -24.017 -13.905 813 HD1 HIS 103 HD1 HIS 103 -0.110 -22.944 -14.422 814 HD2 HIS 103 HD2 HIS 103 -0.956 -26.182 -16.886 815 HE1 HIS 103 HE1 HIS 103 1.671 -22.931 -16.198 816 HE2 HIS 103 HE2 HIS 103 0.968 -24.735 -17.819 817 H HIS 104 H HIS 104 -3.272 -28.085 -14.064 818 HA HIS 104 HA HIS 104 -1.030 -29.824 -14.540 819 1HB HIS 104 2HB HIS 104 -3.349 -30.538 -13.707 820 2HB HIS 104 1HB HIS 104 -3.870 -30.390 -15.384 821 HD1 HIS 104 HD1 HIS 104 -1.455 -32.338 -13.228 822 HD2 HIS 104 HD2 HIS 104 -3.199 -32.526 -16.999 823 HE1 HIS 104 HE1 HIS 104 -0.856 -34.600 -14.139 824 HE2 HIS 104 HE2 HIS 104 -1.705 -34.585 -16.509 825 H HIS 105 H HIS 105 -3.326 -28.010 -16.486 826 HA HIS 105 HA HIS 105 -1.490 -28.067 -18.717 827 1HB HIS 105 2HB HIS 105 -2.935 -30.120 -18.961 828 2HB HIS 105 1HB HIS 105 -4.327 -29.052 -19.100 829 HD1 HIS 105 HD1 HIS 105 -4.700 -27.890 -21.351 830 HD2 HIS 105 HD2 HIS 105 -1.186 -30.110 -21.175 831 HE1 HIS 105 HE1 HIS 105 -3.876 -28.054 -23.723 832 HE2 HIS 105 HE2 HIS 105 -1.842 -29.532 -23.611 Start of MODEL 8 1 1H MET 1 1H MET 1 6.554 7.631 5.919 2 2H MET 1 2H MET 1 5.879 6.180 5.373 3 3H MET 1 3H MET 1 5.733 7.580 4.435 4 HA MET 1 HA MET 1 8.183 7.632 4.228 5 1HB MET 1 2HB MET 1 7.894 4.853 5.397 6 2HB MET 1 1HB MET 1 9.362 5.501 4.681 7 1HG MET 1 2HG MET 1 9.469 7.205 6.413 8 2HG MET 1 1HG MET 1 7.985 6.581 7.128 9 1HE MET 1 1HE MET 1 10.633 5.486 9.771 10 2HE MET 1 2HE MET 1 9.086 6.288 9.504 11 3HE MET 1 3HE MET 1 10.570 6.997 8.866 12 H VAL 2 H VAL 2 9.195 6.438 2.416 13 HA VAL 2 HA VAL 2 9.137 5.525 0.337 14 HB VAL 2 HB VAL 2 6.599 4.156 1.263 15 1HG1 VAL 2 1HG1 VAL 2 6.658 4.350 -1.174 16 2HG1 VAL 2 2HG1 VAL 2 6.887 2.678 -0.659 17 3HG1 VAL 2 3HG1 VAL 2 8.269 3.633 -1.196 18 1HG2 VAL 2 1HG2 VAL 2 8.021 2.178 1.483 19 2HG2 VAL 2 2HG2 VAL 2 8.583 3.489 2.521 20 3HG2 VAL 2 3HG2 VAL 2 9.427 3.134 1.013 21 H LYS 3 H LYS 3 8.668 6.509 -1.495 22 HA LYS 3 HA LYS 3 6.460 8.417 -1.484 23 1HB LYS 3 2HB LYS 3 9.005 8.134 -2.971 24 2HB LYS 3 1HB LYS 3 7.671 8.896 -3.825 25 1HG LYS 3 2HG LYS 3 7.521 10.628 -2.277 26 2HG LYS 3 1HG LYS 3 8.524 9.783 -1.097 27 1HD LYS 3 2HD LYS 3 9.543 10.681 -3.791 28 2HD LYS 3 1HD LYS 3 9.643 11.683 -2.343 29 1HE LYS 3 2HE LYS 3 11.733 10.613 -2.511 30 2HE LYS 3 1HE LYS 3 10.859 9.750 -1.250 31 1HZ LYS 3 1HZ LYS 3 11.853 8.112 -2.572 32 2HZ LYS 3 2HZ LYS 3 11.410 8.869 -4.025 33 3HZ LYS 3 3HZ LYS 3 10.233 8.123 -3.065 34 H THR 4 H THR 4 7.818 6.583 -4.192 35 HA THR 4 HA THR 4 5.177 6.572 -5.327 36 HB THR 4 HB THR 4 7.730 5.503 -6.546 37 HG1 THR 4 HG1 THR 4 6.699 8.087 -6.236 38 1HG2 THR 4 1HG2 THR 4 5.115 6.377 -7.790 39 2HG2 THR 4 2HG2 THR 4 5.689 4.715 -7.652 40 3HG2 THR 4 3HG2 THR 4 6.551 5.865 -8.676 41 H LEU 5 H LEU 5 4.136 5.073 -3.944 42 HA LEU 5 HA LEU 5 4.938 2.278 -4.192 43 1HB LEU 5 2HB LEU 5 4.081 3.100 -2.026 44 2HB LEU 5 1HB LEU 5 2.567 3.536 -2.796 45 HG LEU 5 HG LEU 5 2.169 1.143 -3.314 46 1HD1 LEU 5 1HD1 LEU 5 3.540 -0.554 -2.223 47 2HD1 LEU 5 2HD1 LEU 5 4.640 0.698 -1.645 48 3HD1 LEU 5 3HD1 LEU 5 4.483 0.390 -3.375 49 1HD2 LEU 5 1HD2 LEU 5 1.203 2.146 -1.317 50 2HD2 LEU 5 2HD2 LEU 5 2.666 1.776 -0.406 51 3HD2 LEU 5 3HD2 LEU 5 1.651 0.466 -1.013 52 H ARG 6 H ARG 6 4.409 1.316 -6.064 53 HA ARG 6 HA ARG 6 2.009 2.273 -7.453 54 1HB ARG 6 2HB ARG 6 4.254 2.455 -8.571 55 2HB ARG 6 1HB ARG 6 4.334 0.702 -8.583 56 1HG ARG 6 2HG ARG 6 2.568 0.529 -10.116 57 2HG ARG 6 1HG ARG 6 2.097 2.215 -9.884 58 1HD ARG 6 2HD ARG 6 4.202 2.945 -10.886 59 2HD ARG 6 1HD ARG 6 4.684 1.266 -11.108 60 HE ARG 6 HE ARG 6 2.499 1.210 -12.508 61 1HH1 ARG 6 1HH1 ARG 6 4.787 3.859 -12.343 62 2HH1 ARG 6 2HH1 ARG 6 4.416 4.430 -13.947 63 1HH2 ARG 6 1HH2 ARG 6 2.030 1.949 -14.606 64 2HH2 ARG 6 2HH2 ARG 6 2.872 3.331 -15.234 65 H LEU 7 H LEU 7 0.333 1.072 -6.860 66 HA LEU 7 HA LEU 7 0.662 -1.830 -6.562 67 1HB LEU 7 2HB LEU 7 -1.633 -0.028 -5.776 68 2HB LEU 7 1HB LEU 7 -1.568 -1.757 -5.497 69 HG LEU 7 HG LEU 7 0.265 0.302 -4.261 70 1HD1 LEU 7 1HD1 LEU 7 -1.952 -1.365 -3.082 71 2HD1 LEU 7 2HD1 LEU 7 -1.986 0.377 -3.348 72 3HD1 LEU 7 3HD1 LEU 7 -0.864 -0.313 -2.177 73 1HD2 LEU 7 1HD2 LEU 7 0.097 -2.676 -3.815 74 2HD2 LEU 7 2HD2 LEU 7 1.132 -1.549 -2.938 75 3HD2 LEU 7 3HD2 LEU 7 1.397 -1.833 -4.658 76 H ASN 8 H ASN 8 -0.061 -3.174 -8.063 77 HA ASN 8 HA ASN 8 -1.057 -4.000 -9.932 78 1HB ASN 8 2HB ASN 8 -3.182 -1.986 -9.172 79 2HB ASN 8 1HB ASN 8 -3.365 -3.129 -10.498 80 1HD2 ASN 8 1HD2 ASN 8 -4.970 -2.904 -8.122 81 2HD2 ASN 8 2HD2 ASN 8 -4.850 -4.416 -7.297 82 H ASN 9 H ASN 9 0.833 -1.857 -10.081 83 HA ASN 9 HA ASN 9 1.910 -0.658 -11.658 84 1HB ASN 9 2HB ASN 9 -0.266 -1.735 -13.444 85 2HB ASN 9 1HB ASN 9 0.993 -0.656 -14.032 86 1HD2 ASN 9 1HD2 ASN 9 1.976 -2.067 -15.369 87 2HD2 ASN 9 2HD2 ASN 9 2.802 -3.491 -14.838 88 H VAL 10 H VAL 10 -0.624 0.269 -10.114 89 HA VAL 10 HA VAL 10 -0.912 2.821 -11.558 90 HB VAL 10 HB VAL 10 -2.623 1.760 -9.296 91 1HG1 VAL 10 1HG1 VAL 10 -4.162 3.561 -9.927 92 2HG1 VAL 10 2HG1 VAL 10 -3.001 4.122 -11.131 93 3HG1 VAL 10 3HG1 VAL 10 -2.594 4.184 -9.416 94 1HG2 VAL 10 1HG2 VAL 10 -3.211 1.826 -12.253 95 2HG2 VAL 10 2HG2 VAL 10 -4.332 1.335 -10.984 96 3HG2 VAL 10 3HG2 VAL 10 -2.879 0.385 -11.292 97 H THR 11 H THR 11 0.085 4.565 -10.725 98 HA THR 11 HA THR 11 1.712 4.326 -8.406 99 HB THR 11 HB THR 11 2.377 5.772 -10.271 100 HG1 THR 11 HG1 THR 11 3.261 7.281 -8.981 101 1HG2 THR 11 1HG2 THR 11 0.206 6.606 -10.967 102 2HG2 THR 11 2HG2 THR 11 1.284 7.956 -10.609 103 3HG2 THR 11 3HG2 THR 11 0.036 7.491 -9.452 104 H LEU 12 H LEU 12 1.359 4.981 -6.350 105 HA LEU 12 HA LEU 12 -1.307 6.070 -5.730 106 1HB LEU 12 2HB LEU 12 -1.197 3.662 -5.314 107 2HB LEU 12 1HB LEU 12 0.206 3.893 -4.293 108 HG LEU 12 HG LEU 12 -1.217 5.237 -2.745 109 1HD1 LEU 12 1HD1 LEU 12 -2.945 5.877 -4.356 110 2HD1 LEU 12 2HD1 LEU 12 -3.629 5.074 -2.942 111 3HD1 LEU 12 3HD1 LEU 12 -3.463 4.193 -4.463 112 1HD2 LEU 12 1HD2 LEU 12 -2.050 2.398 -3.308 113 2HD2 LEU 12 2HD2 LEU 12 -2.373 3.275 -1.811 114 3HD2 LEU 12 3HD2 LEU 12 -0.711 2.918 -2.287 115 H GLU 13 H GLU 13 -1.451 7.464 -4.017 116 HA GLU 13 HA GLU 13 1.061 8.260 -2.712 117 1HB GLU 13 2HB GLU 13 -1.432 9.884 -3.274 118 2HB GLU 13 1HB GLU 13 -0.114 10.438 -2.248 119 1HG GLU 13 2HG GLU 13 1.423 10.305 -4.137 120 2HG GLU 13 1HG GLU 13 0.114 9.732 -5.168 121 H MET 14 H MET 14 0.822 8.893 -0.404 122 HA MET 14 HA MET 14 -1.322 7.349 0.886 123 1HB MET 14 2HB MET 14 1.650 7.069 1.376 124 2HB MET 14 1HB MET 14 0.423 6.429 2.460 125 1HG MET 14 2HG MET 14 -0.382 4.942 0.762 126 2HG MET 14 1HG MET 14 0.679 5.674 -0.442 127 1HE MET 14 1HE MET 14 3.287 5.336 -0.543 128 2HE MET 14 2HE MET 14 4.216 4.567 0.743 129 3HE MET 14 3HE MET 14 3.379 6.090 1.049 130 H ALA 15 H ALA 15 -0.733 7.567 3.427 131 HA ALA 15 HA ALA 15 -0.115 10.382 3.974 132 1HB ALA 15 1HB ALA 15 -2.554 10.010 4.019 133 2HB ALA 15 2HB ALA 15 -1.908 10.494 5.589 134 3HB ALA 15 3HB ALA 15 -2.325 8.806 5.287 135 H ALA 16 H ALA 16 -0.829 7.343 5.716 136 HA ALA 16 HA ALA 16 1.750 7.679 7.093 137 1HB ALA 16 1HB ALA 16 -0.766 6.545 8.308 138 2HB ALA 16 2HB ALA 16 -0.122 8.159 8.612 139 3HB ALA 16 3HB ALA 16 0.794 6.736 9.109 140 H TYR 17 H TYR 17 2.721 6.354 5.535 141 HA TYR 17 HA TYR 17 1.981 3.593 5.254 142 1HB TYR 17 2HB TYR 17 3.175 4.750 3.465 143 2HB TYR 17 1HB TYR 17 4.519 5.090 4.545 144 HD1 TYR 17 HD1 TYR 17 2.808 2.474 2.602 145 HD2 TYR 17 HD2 TYR 17 6.190 3.419 5.005 146 HE1 TYR 17 HE1 TYR 17 3.932 0.435 1.813 147 HE2 TYR 17 HE2 TYR 17 7.321 1.378 4.230 148 HH TYR 17 HH TYR 17 6.697 -0.848 3.261 149 H GLN 18 H GLN 18 2.018 2.434 7.110 150 HA GLN 18 HA GLN 18 4.511 2.500 8.680 151 1HB GLN 18 2HB GLN 18 2.227 3.335 9.684 152 2HB GLN 18 1HB GLN 18 1.900 1.618 9.853 153 1HG GLN 18 2HG GLN 18 4.510 2.503 10.866 154 2HG GLN 18 1HG GLN 18 3.107 3.133 11.727 155 1HE2 GLN 18 1HE2 GLN 18 1.790 1.740 12.853 156 2HE2 GLN 18 2HE2 GLN 18 2.251 0.109 13.216 157 H GLU 19 H GLU 19 5.626 0.648 8.673 158 HA GLU 19 HA GLU 19 4.257 -1.707 7.542 159 1HB GLU 19 2HB GLU 19 5.612 -0.777 5.845 160 2HB GLU 19 1HB GLU 19 6.961 -0.538 6.944 161 1HG GLU 19 2HG GLU 19 7.052 -3.064 7.136 162 2HG GLU 19 1HG GLU 19 5.953 -3.099 5.758 163 H GLU 20 H GLU 20 4.596 -3.632 8.382 164 HA GLU 20 HA GLU 20 6.540 -3.990 10.561 165 1HB GLU 20 2HB GLU 20 4.160 -5.598 9.627 166 2HB GLU 20 1HB GLU 20 5.348 -6.257 10.744 167 1HG GLU 20 2HG GLU 20 3.764 -3.747 11.240 168 2HG GLU 20 1HG GLU 20 3.302 -5.347 11.820 169 H SER 21 H SER 21 8.424 -4.884 10.085 170 HA SER 21 HA SER 21 8.726 -6.062 7.411 171 1HB SER 21 2HB SER 21 10.932 -4.998 9.173 172 2HB SER 21 1HB SER 21 10.973 -5.284 7.433 173 HG SER 21 HG SER 21 9.600 -3.538 7.123 174 H GLU 22 H GLU 22 8.546 -6.994 10.623 175 HA GLU 22 HA GLU 22 10.534 -9.082 10.264 176 1HB GLU 22 2HB GLU 22 9.412 -7.866 12.722 177 2HB GLU 22 1HB GLU 22 10.210 -9.435 12.777 178 1HG GLU 22 2HG GLU 22 11.383 -6.836 11.863 179 2HG GLU 22 1HG GLU 22 11.784 -7.742 13.325 180 HA PRO 23 HA PRO 23 7.190 -11.816 11.831 181 1HB PRO 23 2HB PRO 23 4.598 -11.039 11.664 182 2HB PRO 23 1HB PRO 23 5.605 -10.751 13.083 183 1HG PRO 23 2HG PRO 23 4.927 -8.872 10.856 184 2HG PRO 23 1HG PRO 23 4.918 -8.576 12.606 185 1HD PRO 23 2HD PRO 23 6.977 -7.823 11.031 186 2HD PRO 23 1HD PRO 23 7.216 -8.360 12.708 187 H LYS 24 H LYS 24 6.928 -9.696 9.242 188 HA LYS 24 HA LYS 24 7.038 -11.507 7.183 189 1HB LYS 24 2HB LYS 24 4.431 -11.466 8.206 190 2HB LYS 24 1HB LYS 24 4.367 -10.398 6.813 191 1HG LYS 24 2HG LYS 24 5.129 -12.120 5.356 192 2HG LYS 24 1HG LYS 24 5.496 -13.182 6.714 193 1HD LYS 24 2HD LYS 24 3.037 -13.104 7.279 194 2HD LYS 24 1HD LYS 24 2.792 -12.310 5.722 195 1HE LYS 24 2HE LYS 24 2.402 -14.715 5.557 196 2HE LYS 24 1HE LYS 24 3.783 -14.224 4.579 197 1HZ LYS 24 1HZ LYS 24 4.049 -15.330 7.321 198 2HZ LYS 24 2HZ LYS 24 5.278 -15.100 6.177 199 3HZ LYS 24 3HZ LYS 24 4.099 -16.294 5.925 200 H ARG 25 H ARG 25 6.145 -10.080 5.042 201 HA ARG 25 HA ARG 25 6.905 -7.324 5.668 202 1HB ARG 25 2HB ARG 25 6.556 -8.733 3.027 203 2HB ARG 25 1HB ARG 25 6.768 -6.990 3.153 204 1HG ARG 25 2HG ARG 25 8.825 -7.929 4.686 205 2HG ARG 25 1HG ARG 25 8.720 -9.143 3.414 206 1HD ARG 25 2HD ARG 25 9.717 -7.769 1.979 207 2HD ARG 25 1HD ARG 25 8.467 -6.552 2.246 208 HE ARG 25 HE ARG 25 11.020 -6.765 3.707 209 1HH1 ARG 25 1HH1 ARG 25 8.163 -4.963 2.805 210 2HH1 ARG 25 2HH1 ARG 25 8.669 -3.493 3.579 211 1HH2 ARG 25 1HH2 ARG 25 11.708 -4.824 4.736 212 2HH2 ARG 25 2HH2 ARG 25 10.684 -3.421 4.671 213 H LYS 26 H LYS 26 5.165 -6.635 6.783 214 HA LYS 26 HA LYS 26 2.531 -6.773 5.465 215 1HB LYS 26 2HB LYS 26 2.666 -7.986 7.590 216 2HB LYS 26 1HB LYS 26 3.248 -6.536 8.392 217 1HG LYS 26 2HG LYS 26 1.110 -5.432 7.930 218 2HG LYS 26 1HG LYS 26 0.526 -6.911 7.159 219 1HD LYS 26 2HD LYS 26 0.905 -8.116 9.289 220 2HD LYS 26 1HD LYS 26 1.371 -6.587 10.035 221 1HE LYS 26 2HE LYS 26 -0.848 -5.676 9.549 222 2HE LYS 26 1HE LYS 26 -1.317 -7.209 8.813 223 1HZ LYS 26 1HZ LYS 26 -0.944 -8.289 10.960 224 2HZ LYS 26 2HZ LYS 26 -2.116 -7.069 11.077 225 3HZ LYS 26 3HZ LYS 26 -0.545 -6.792 11.651 226 H ILE 27 H ILE 27 2.086 -4.903 4.498 227 HA ILE 27 HA ILE 27 3.023 -2.428 5.766 228 HB ILE 27 HB ILE 27 2.596 -1.354 3.556 229 1HG1 ILE 27 2HG1 ILE 27 2.230 -4.200 2.600 230 2HG1 ILE 27 1HG1 ILE 27 0.945 -3.005 2.716 231 1HG2 ILE 27 1HG2 ILE 27 4.570 -2.309 2.462 232 2HG2 ILE 27 2HG2 ILE 27 4.501 -3.690 3.557 233 3HG2 ILE 27 3HG2 ILE 27 4.824 -2.076 4.191 234 1HD1 ILE 27 1HD1 ILE 27 3.370 -2.801 0.944 235 2HD1 ILE 27 2HD1 ILE 27 2.051 -1.634 1.040 236 3HD1 ILE 27 3HD1 ILE 27 1.747 -3.260 0.429 237 H ALA 28 H ALA 28 1.619 -1.303 6.860 238 HA ALA 28 HA ALA 28 -1.215 -1.384 6.060 239 1HB ALA 28 1HB ALA 28 -1.784 -0.924 8.394 240 2HB ALA 28 2HB ALA 28 -0.073 -0.953 8.821 241 3HB ALA 28 3HB ALA 28 -0.863 -2.420 8.242 242 H PHE 29 H PHE 29 -1.489 0.400 4.869 243 HA PHE 29 HA PHE 29 -0.443 2.909 5.973 244 1HB PHE 29 2HB PHE 29 -0.152 3.702 3.611 245 2HB PHE 29 1HB PHE 29 0.948 2.422 4.100 246 HD1 PHE 29 HD1 PHE 29 0.763 0.193 3.160 247 HD2 PHE 29 HD2 PHE 29 -1.849 3.326 1.927 248 HE1 PHE 29 HE1 PHE 29 0.116 -1.124 1.187 249 HE2 PHE 29 HE2 PHE 29 -2.497 2.009 -0.043 250 HZ PHE 29 HZ PHE 29 -1.514 -0.218 -0.416 251 H THR 30 H THR 30 -1.670 4.718 5.772 252 HA THR 30 HA THR 30 -4.487 4.313 5.311 253 HB THR 30 HB THR 30 -4.177 7.007 5.691 254 HG1 THR 30 HG1 THR 30 -2.596 6.552 7.702 255 1HG2 THR 30 1HG2 THR 30 -5.731 5.543 6.853 256 2HG2 THR 30 2HG2 THR 30 -4.850 6.559 7.998 257 3HG2 THR 30 3HG2 THR 30 -4.404 4.863 7.795 258 H LEU 31 H LEU 31 -5.256 4.377 3.314 259 HA LEU 31 HA LEU 31 -4.075 6.174 1.384 260 1HB LEU 31 2HB LEU 31 -5.014 3.868 0.828 261 2HB LEU 31 1HB LEU 31 -6.606 4.561 1.067 262 HG LEU 31 HG LEU 31 -4.704 5.781 -0.914 263 1HD1 LEU 31 1HD1 LEU 31 -5.660 4.389 -2.657 264 2HD1 LEU 31 2HD1 LEU 31 -6.617 3.512 -1.461 265 3HD1 LEU 31 3HD1 LEU 31 -4.858 3.382 -1.451 266 1HD2 LEU 31 1HD2 LEU 31 -7.713 5.637 -0.726 267 2HD2 LEU 31 2HD2 LEU 31 -6.796 6.456 -1.991 268 3HD2 LEU 31 3HD2 LEU 31 -6.713 7.036 -0.327 269 H ASN 32 H ASN 32 -4.429 8.227 1.872 270 HA ASN 32 HA ASN 32 -6.537 9.129 3.495 271 1HB ASN 32 2HB ASN 32 -4.311 10.240 3.250 272 2HB ASN 32 1HB ASN 32 -4.808 10.789 1.651 273 1HD2 ASN 32 1HD2 ASN 32 -5.286 11.142 5.081 274 2HD2 ASN 32 2HD2 ASN 32 -6.178 12.617 5.002 275 H VAL 33 H VAL 33 -8.568 9.600 3.048 276 HA VAL 33 HA VAL 33 -9.330 9.913 0.230 277 HB VAL 33 HB VAL 33 -11.031 8.891 2.496 278 1HG1 VAL 33 1HG1 VAL 33 -12.674 8.375 0.754 279 2HG1 VAL 33 2HG1 VAL 33 -11.632 9.125 -0.454 280 3HG1 VAL 33 3HG1 VAL 33 -12.343 10.104 0.829 281 1HG2 VAL 33 1HG2 VAL 33 -10.938 6.764 1.172 282 2HG2 VAL 33 2HG2 VAL 33 -9.421 7.235 1.938 283 3HG2 VAL 33 3HG2 VAL 33 -9.656 7.498 0.210 284 H THR 34 H THR 34 -9.200 12.112 0.036 285 HA THR 34 HA THR 34 -10.410 13.852 1.979 286 HB THR 34 HB THR 34 -9.872 15.647 0.336 287 HG1 THR 34 HG1 THR 34 -8.557 14.982 -1.484 288 1HG2 THR 34 1HG2 THR 34 -8.244 15.022 2.043 289 2HG2 THR 34 2HG2 THR 34 -7.434 15.469 0.541 290 3HG2 THR 34 3HG2 THR 34 -7.599 13.769 0.983 291 H SER 35 H SER 35 -11.927 15.625 1.018 292 HA SER 35 HA SER 35 -14.300 14.347 0.136 293 1HB SER 35 2HB SER 35 -14.770 17.016 -0.230 294 2HB SER 35 1HB SER 35 -14.929 16.179 1.315 295 HG SER 35 HG SER 35 -13.486 18.195 1.044 296 H GLU 36 H GLU 36 -11.601 15.702 -1.475 297 HA GLU 36 HA GLU 36 -12.768 16.358 -3.963 298 1HB GLU 36 2HB GLU 36 -10.492 17.048 -3.278 299 2HB GLU 36 1HB GLU 36 -9.970 15.372 -3.361 300 1HG GLU 36 2HG GLU 36 -9.224 16.367 -5.344 301 2HG GLU 36 1HG GLU 36 -10.643 15.423 -5.799 302 H THR 37 H THR 37 -11.052 13.413 -2.908 303 HA THR 37 HA THR 37 -12.000 12.073 -5.348 304 HB THR 37 HB THR 37 -9.579 12.125 -5.098 305 HG1 THR 37 HG1 THR 37 -10.747 9.558 -4.687 306 1HG2 THR 37 1HG2 THR 37 -9.408 12.312 -2.685 307 2HG2 THR 37 2HG2 THR 37 -8.471 10.925 -3.246 308 3HG2 THR 37 3HG2 THR 37 -10.045 10.682 -2.487 309 H TYR 38 H TYR 38 -13.359 12.489 -2.650 310 HA TYR 38 HA TYR 38 -13.509 10.135 -1.184 311 1HB TYR 38 2HB TYR 38 -14.434 12.355 -0.508 312 2HB TYR 38 1HB TYR 38 -15.755 12.109 -1.644 313 HD1 TYR 38 HD1 TYR 38 -14.227 10.906 1.485 314 HD2 TYR 38 HD2 TYR 38 -17.614 10.701 -1.079 315 HE1 TYR 38 HE1 TYR 38 -15.478 9.736 3.246 316 HE2 TYR 38 HE2 TYR 38 -18.876 9.527 0.677 317 HH TYR 38 HH TYR 38 -17.857 9.375 3.889 318 H HIS 39 H HIS 39 -15.750 11.238 -3.732 319 HA HIS 39 HA HIS 39 -17.423 9.024 -3.722 320 1HB HIS 39 2HB HIS 39 -18.046 9.721 -6.057 321 2HB HIS 39 1HB HIS 39 -18.161 10.982 -4.841 322 HD1 HIS 39 HD1 HIS 39 -16.597 12.994 -5.061 323 HD2 HIS 39 HD2 HIS 39 -16.059 10.120 -8.021 324 HE1 HIS 39 HE1 HIS 39 -15.160 14.086 -6.815 325 HE2 HIS 39 HE2 HIS 39 -15.011 12.396 -8.677 326 H ASP 40 H ASP 40 -14.312 9.382 -5.258 327 HA ASP 40 HA ASP 40 -14.671 7.219 -7.109 328 1HB ASP 40 2HB ASP 40 -13.046 9.174 -7.368 329 2HB ASP 40 1HB ASP 40 -12.028 8.354 -6.190 330 H ILE 41 H ILE 41 -12.846 7.636 -4.099 331 HA ILE 41 HA ILE 41 -11.981 4.906 -4.031 332 HB ILE 41 HB ILE 41 -11.938 6.893 -1.757 333 1HG1 ILE 41 2HG1 ILE 41 -9.824 6.455 -3.880 334 2HG1 ILE 41 1HG1 ILE 41 -10.942 7.815 -3.863 335 1HG2 ILE 41 1HG2 ILE 41 -10.169 4.525 -2.375 336 2HG2 ILE 41 2HG2 ILE 41 -11.448 4.559 -1.162 337 3HG2 ILE 41 3HG2 ILE 41 -10.030 5.592 -0.977 338 1HD1 ILE 41 1HD1 ILE 41 -8.895 7.190 -1.751 339 2HD1 ILE 41 2HD1 ILE 41 -10.014 8.554 -1.740 340 3HD1 ILE 41 3HD1 ILE 41 -8.773 8.441 -2.988 341 H ALA 42 H ALA 42 -14.782 6.614 -2.979 342 HA ALA 42 HA ALA 42 -15.691 4.852 -0.975 343 1HB ALA 42 1HB ALA 42 -17.912 5.755 -1.411 344 2HB ALA 42 2HB ALA 42 -17.338 6.468 -2.918 345 3HB ALA 42 3HB ALA 42 -16.709 7.045 -1.375 346 H VAL 43 H VAL 43 -15.546 4.611 -4.420 347 HA VAL 43 HA VAL 43 -17.258 2.259 -4.509 348 HB VAL 43 HB VAL 43 -15.622 3.530 -6.713 349 1HG1 VAL 43 1HG1 VAL 43 -16.128 1.192 -7.157 350 2HG1 VAL 43 2HG1 VAL 43 -17.062 2.241 -8.223 351 3HG1 VAL 43 3HG1 VAL 43 -17.836 1.484 -6.831 352 1HG2 VAL 43 1HG2 VAL 43 -18.539 3.842 -6.015 353 2HG2 VAL 43 2HG2 VAL 43 -17.785 4.441 -7.491 354 3HG2 VAL 43 3HG2 VAL 43 -17.293 5.086 -5.925 355 H LEU 44 H LEU 44 -13.849 3.142 -4.775 356 HA LEU 44 HA LEU 44 -13.059 0.363 -5.152 357 1HB LEU 44 2HB LEU 44 -11.953 2.139 -6.450 358 2HB LEU 44 1HB LEU 44 -11.409 2.886 -4.961 359 HG LEU 44 HG LEU 44 -10.061 0.858 -4.476 360 1HD1 LEU 44 1HD1 LEU 44 -9.680 -0.753 -6.291 361 2HD1 LEU 44 2HD1 LEU 44 -10.941 0.038 -7.238 362 3HD1 LEU 44 3HD1 LEU 44 -11.349 -0.769 -5.724 363 1HD2 LEU 44 1HD2 LEU 44 -9.045 2.798 -5.547 364 2HD2 LEU 44 2HD2 LEU 44 -9.508 2.179 -7.131 365 3HD2 LEU 44 3HD2 LEU 44 -8.331 1.303 -6.151 366 H LEU 45 H LEU 45 -13.347 -0.721 -3.230 367 HA LEU 45 HA LEU 45 -12.077 0.458 -0.878 368 1HB LEU 45 2HB LEU 45 -13.721 -0.549 0.555 369 2HB LEU 45 1HB LEU 45 -14.518 0.444 -0.641 370 HG LEU 45 HG LEU 45 -14.333 -2.565 -0.830 371 1HD1 LEU 45 1HD1 LEU 45 -16.661 -2.575 -0.059 372 2HD1 LEU 45 2HD1 LEU 45 -16.557 -0.841 0.246 373 3HD1 LEU 45 3HD1 LEU 45 -15.555 -1.959 1.171 374 1HD2 LEU 45 1HD2 LEU 45 -16.119 -0.583 -2.241 375 2HD2 LEU 45 2HD2 LEU 45 -16.147 -2.335 -2.436 376 3HD2 LEU 45 3HD2 LEU 45 -14.738 -1.413 -2.959 377 H TYR 46 H TYR 46 -10.199 -0.488 -1.231 378 HA TYR 46 HA TYR 46 -8.544 -2.030 -1.192 379 1HB TYR 46 2HB TYR 46 -8.620 -3.532 0.830 380 2HB TYR 46 1HB TYR 46 -8.763 -1.809 1.119 381 HD1 TYR 46 HD1 TYR 46 -10.521 -5.033 1.206 382 HD2 TYR 46 HD2 TYR 46 -10.775 -0.876 2.062 383 HE1 TYR 46 HE1 TYR 46 -12.510 -5.444 2.586 384 HE2 TYR 46 HE2 TYR 46 -12.774 -1.275 3.437 385 HH TYR 46 HH TYR 46 -14.487 -2.866 3.806 386 H GLU 47 H GLU 47 -8.410 -3.236 -2.977 387 HA GLU 47 HA GLU 47 -10.152 -5.396 -3.608 388 1HB GLU 47 2HB GLU 47 -7.398 -4.710 -4.629 389 2HB GLU 47 1HB GLU 47 -8.377 -6.026 -5.259 390 1HG GLU 47 2HG GLU 47 -10.104 -4.360 -5.882 391 2HG GLU 47 1HG GLU 47 -8.995 -3.085 -5.371 392 H LYS 48 H LYS 48 -8.609 -7.464 -4.350 393 HA LYS 48 HA LYS 48 -7.777 -8.595 -1.787 394 1HB LYS 48 2HB LYS 48 -8.284 -9.970 -4.433 395 2HB LYS 48 1HB LYS 48 -7.988 -10.761 -2.890 396 1HG LYS 48 2HG LYS 48 -10.056 -9.858 -2.006 397 2HG LYS 48 1HG LYS 48 -10.345 -9.003 -3.521 398 1HD LYS 48 2HD LYS 48 -10.487 -11.103 -4.718 399 2HD LYS 48 1HD LYS 48 -10.103 -11.997 -3.247 400 1HE LYS 48 2HE LYS 48 -12.159 -11.178 -2.212 401 2HE LYS 48 1HE LYS 48 -12.539 -10.271 -3.677 402 1HZ LYS 48 1HZ LYS 48 -12.236 -13.225 -3.546 403 2HZ LYS 48 2HZ LYS 48 -12.714 -12.317 -4.902 404 3HZ LYS 48 3HZ LYS 48 -13.719 -12.407 -3.543 405 H THR 49 H THR 49 -6.721 -8.859 -5.176 406 HA THR 49 HA THR 49 -4.012 -9.414 -4.278 407 HB THR 49 HB THR 49 -3.671 -9.729 -6.819 408 HG1 THR 49 HG1 THR 49 -5.922 -8.670 -7.089 409 1HG2 THR 49 1HG2 THR 49 -4.646 -11.992 -6.742 410 2HG2 THR 49 2HG2 THR 49 -5.537 -11.545 -5.285 411 3HG2 THR 49 3HG2 THR 49 -3.774 -11.597 -5.261 412 H PHE 50 H PHE 50 -2.559 -7.833 -4.091 413 HA PHE 50 HA PHE 50 -2.776 -5.525 -5.911 414 1HB PHE 50 2HB PHE 50 -1.626 -5.645 -3.115 415 2HB PHE 50 1HB PHE 50 -1.486 -4.256 -4.182 416 HD1 PHE 50 HD2 PHE 50 -3.446 -2.912 -4.731 417 HD2 PHE 50 HD1 PHE 50 -3.665 -6.146 -1.977 418 HE1 PHE 50 HE2 PHE 50 -5.587 -2.042 -3.888 419 HE2 PHE 50 HE1 PHE 50 -5.803 -5.282 -1.126 420 HZ PHE 50 HZ PHE 50 -6.767 -3.227 -2.082 421 H ASN 51 H ASN 51 -1.330 -5.707 -7.489 422 HA ASN 51 HA ASN 51 1.150 -7.107 -7.151 423 1HB ASN 51 2HB ASN 51 0.035 -6.939 -9.360 424 2HB ASN 51 1HB ASN 51 0.318 -5.200 -9.359 425 1HD2 ASN 51 1HD2 ASN 51 2.403 -4.420 -9.707 426 2HD2 ASN 51 2HD2 ASN 51 3.668 -5.421 -10.320 427 H VAL 52 H VAL 52 2.413 -6.217 -5.587 428 HA VAL 52 HA VAL 52 2.644 -3.351 -5.306 429 HB VAL 52 HB VAL 52 4.120 -5.523 -3.804 430 1HG1 VAL 52 1HG1 VAL 52 5.218 -3.381 -3.620 431 2HG1 VAL 52 2HG1 VAL 52 4.430 -3.775 -2.093 432 3HG1 VAL 52 3HG1 VAL 52 3.696 -2.603 -3.188 433 1HG2 VAL 52 1HG2 VAL 52 2.451 -5.178 -2.029 434 2HG2 VAL 52 2HG2 VAL 52 1.733 -5.808 -3.511 435 3HG2 VAL 52 3HG2 VAL 52 1.554 -4.102 -3.099 436 H GLU 53 H GLU 53 3.931 -2.273 -6.625 437 HA GLU 53 HA GLU 53 6.616 -3.350 -7.114 438 1HB GLU 53 2HB GLU 53 5.248 -3.629 -9.144 439 2HB GLU 53 1HB GLU 53 4.840 -1.923 -9.114 440 1HG GLU 53 2HG GLU 53 7.709 -2.685 -9.246 441 2HG GLU 53 1HG GLU 53 6.715 -2.885 -10.688 442 H VAL 54 H VAL 54 7.892 -2.212 -6.014 443 HA VAL 54 HA VAL 54 7.882 0.670 -6.319 444 HB VAL 54 HB VAL 54 6.548 0.468 -4.367 445 1HG1 VAL 54 1HG1 VAL 54 8.631 -1.386 -3.259 446 2HG1 VAL 54 2HG1 VAL 54 6.999 -1.823 -3.760 447 3HG1 VAL 54 3HG1 VAL 54 7.242 -0.765 -2.369 448 1HG2 VAL 54 1HG2 VAL 54 9.378 1.054 -3.586 449 2HG2 VAL 54 2HG2 VAL 54 7.946 1.533 -2.675 450 3HG2 VAL 54 3HG2 VAL 54 8.227 2.190 -4.288 451 HA PRO 55 HA PRO 55 12.147 -0.709 -6.811 452 1HB PRO 55 2HB PRO 55 13.076 1.747 -7.605 453 2HB PRO 55 1HB PRO 55 12.297 0.594 -8.693 454 1HG PRO 55 2HG PRO 55 11.127 2.974 -7.302 455 2HG PRO 55 1HG PRO 55 10.888 2.430 -8.972 456 1HD PRO 55 2HD PRO 55 9.060 1.965 -7.063 457 2HD PRO 55 1HD PRO 55 9.378 0.784 -8.350 458 H GLU 56 H GLU 56 10.911 1.901 -4.892 459 HA GLU 56 HA GLU 56 13.357 2.597 -3.596 460 1HB GLU 56 2HB GLU 56 11.435 4.135 -3.850 461 2HB GLU 56 1HB GLU 56 10.502 3.127 -2.758 462 1HG GLU 56 2HG GLU 56 11.809 3.724 -0.910 463 2HG GLU 56 1HG GLU 56 13.091 4.386 -1.926 464 H ARG 57 H ARG 57 10.860 0.240 -3.036 465 HA ARG 57 HA ARG 57 12.184 -0.585 -0.540 466 1HB ARG 57 2HB ARG 57 9.433 -1.100 -1.647 467 2HB ARG 57 1HB ARG 57 10.109 -2.118 -0.388 468 1HG ARG 57 2HG ARG 57 10.082 0.828 0.021 469 2HG ARG 57 1HG ARG 57 8.573 -0.073 0.182 470 1HD ARG 57 2HD ARG 57 9.674 0.159 2.340 471 2HD ARG 57 1HD ARG 57 9.616 -1.531 1.845 472 HE ARG 57 HE ARG 57 11.991 -1.287 1.212 473 1HH1 ARG 57 1HH1 ARG 57 10.592 0.969 3.489 474 2HH1 ARG 57 2HH1 ARG 57 12.109 1.367 4.222 475 1HH2 ARG 57 1HH2 ARG 57 13.987 -0.782 2.180 476 2HH2 ARG 57 2HH2 ARG 57 14.053 0.399 3.460 477 H ASP 58 H ASP 58 12.627 -1.049 -3.623 478 HA ASP 58 HA ASP 58 13.279 -2.701 -5.045 479 1HB ASP 58 2HB ASP 58 14.188 -3.831 -2.396 480 2HB ASP 58 1HB ASP 58 14.539 -4.621 -3.927 481 H LEU 59 H LEU 59 10.539 -2.778 -4.289 482 HA LEU 59 HA LEU 59 10.044 -5.642 -3.869 483 1HB LEU 59 2HB LEU 59 8.761 -3.213 -2.918 484 2HB LEU 59 1HB LEU 59 7.618 -4.368 -3.576 485 HG LEU 59 HG LEU 59 9.622 -4.960 -1.396 486 1HD1 LEU 59 1HD1 LEU 59 6.648 -4.481 -1.256 487 2HD1 LEU 59 2HD1 LEU 59 7.907 -3.415 -0.630 488 3HD1 LEU 59 3HD1 LEU 59 7.668 -5.012 0.081 489 1HD2 LEU 59 1HD2 LEU 59 7.362 -6.583 -2.558 490 2HD2 LEU 59 2HD2 LEU 59 8.325 -7.032 -1.147 491 3HD2 LEU 59 3HD2 LEU 59 9.086 -6.910 -2.733 492 H ALA 60 H ALA 60 9.633 -6.739 -5.606 493 HA ALA 60 HA ALA 60 7.490 -5.724 -7.340 494 1HB ALA 60 1HB ALA 60 9.852 -7.384 -8.240 495 2HB ALA 60 2HB ALA 60 9.563 -5.692 -8.648 496 3HB ALA 60 3HB ALA 60 8.466 -6.941 -9.240 497 H PHE 61 H PHE 61 6.039 -6.793 -5.974 498 HA PHE 61 HA PHE 61 6.014 -9.699 -6.090 499 1HB PHE 61 2HB PHE 61 7.483 -9.224 -4.189 500 2HB PHE 61 1HB PHE 61 6.270 -8.159 -3.496 501 HD1 PHE 61 HD2 PHE 61 6.944 -11.686 -4.404 502 HD2 PHE 61 HD1 PHE 61 4.635 -8.994 -2.054 503 HE1 PHE 61 HE2 PHE 61 6.034 -13.584 -3.126 504 HE2 PHE 61 HE1 PHE 61 3.726 -10.884 -0.774 505 HZ PHE 61 HZ PHE 61 4.425 -13.181 -1.306 506 H ARG 62 H ARG 62 3.975 -10.554 -5.683 507 HA ARG 62 HA ARG 62 1.826 -8.588 -5.779 508 1HB ARG 62 2HB ARG 62 1.930 -10.545 -7.373 509 2HB ARG 62 1HB ARG 62 1.591 -11.587 -5.998 510 1HG ARG 62 2HG ARG 62 -0.489 -10.189 -5.629 511 2HG ARG 62 1HG ARG 62 -0.181 -9.500 -7.225 512 1HD ARG 62 2HD ARG 62 -1.688 -11.273 -7.573 513 2HD ARG 62 1HD ARG 62 -0.112 -11.878 -8.084 514 HE ARG 62 HE ARG 62 -1.500 -12.597 -5.585 515 1HH1 ARG 62 1HH1 ARG 62 0.916 -13.268 -8.037 516 2HH1 ARG 62 2HH1 ARG 62 1.339 -14.815 -7.364 517 1HH2 ARG 62 1HH2 ARG 62 -0.977 -14.610 -4.727 518 2HH2 ARG 62 2HH2 ARG 62 0.249 -15.585 -5.486 519 H GLY 63 H GLY 63 1.504 -7.850 -3.744 520 1HA GLY 63 2HA GLY 63 1.175 -9.794 -1.578 521 2HA GLY 63 1HA GLY 63 1.288 -8.046 -1.397 522 H GLU 64 H GLU 64 -0.786 -10.691 -1.550 523 HA GLU 64 HA GLU 64 -3.099 -8.977 -2.062 524 1HB GLU 64 2HB GLU 64 -4.355 -11.177 -2.110 525 2HB GLU 64 1HB GLU 64 -3.209 -10.905 -3.411 526 1HG GLU 64 2HG GLU 64 -1.561 -12.273 -2.089 527 2HG GLU 64 1HG GLU 64 -2.909 -12.710 -1.038 528 H MET 65 H MET 65 -4.757 -8.761 -0.587 529 HA MET 65 HA MET 65 -3.896 -8.479 2.056 530 1HB MET 65 2HB MET 65 -6.605 -8.347 0.777 531 2HB MET 65 1HB MET 65 -6.432 -8.214 2.523 532 1HG MET 65 2HG MET 65 -4.800 -6.351 2.109 533 2HG MET 65 1HG MET 65 -5.294 -6.407 0.417 534 1HE MET 65 1HE MET 65 -5.875 -3.784 0.674 535 2HE MET 65 2HE MET 65 -5.451 -3.839 2.385 536 3HE MET 65 3HE MET 65 -6.999 -3.158 1.879 537 H THR 66 H THR 66 -3.637 -9.882 3.607 538 HA THR 66 HA THR 66 -5.004 -12.472 3.492 539 HB THR 66 HB THR 66 -3.289 -13.231 5.082 540 HG1 THR 66 HG1 THR 66 -1.965 -11.848 6.043 541 1HG2 THR 66 1HG2 THR 66 -1.344 -13.080 3.600 542 2HG2 THR 66 2HG2 THR 66 -2.107 -11.749 2.727 543 3HG2 THR 66 3HG2 THR 66 -2.819 -13.363 2.672 544 H ASN 67 H ASN 67 -5.534 -9.550 4.766 545 HA ASN 67 HA ASN 67 -6.273 -10.345 7.451 546 1HB ASN 67 2HB ASN 67 -6.847 -8.042 7.821 547 2HB ASN 67 1HB ASN 67 -5.281 -8.116 7.020 548 1HD2 ASN 67 1HD2 ASN 67 -7.324 -6.015 7.163 549 2HD2 ASN 67 2HD2 ASN 67 -7.677 -5.637 5.522 550 H TYR 68 H TYR 68 -8.543 -9.472 8.161 551 HA TYR 68 HA TYR 68 -10.459 -10.512 6.176 552 1HB TYR 68 2HB TYR 68 -10.611 -10.617 9.198 553 2HB TYR 68 1HB TYR 68 -11.842 -11.225 8.095 554 HD1 TYR 68 HD1 TYR 68 -11.006 -13.006 6.356 555 HD2 TYR 68 HD2 TYR 68 -8.986 -12.071 9.984 556 HE1 TYR 68 HE1 TYR 68 -9.855 -15.177 6.268 557 HE2 TYR 68 HE2 TYR 68 -7.829 -14.241 9.907 558 HH TYR 68 HH TYR 68 -8.256 -16.524 8.874 559 H SER 69 H SER 69 -9.415 -7.753 6.834 560 HA SER 69 HA SER 69 -10.157 -5.622 6.836 561 1HB SER 69 2HB SER 69 -11.750 -6.393 5.110 562 2HB SER 69 1HB SER 69 -12.898 -6.827 6.376 563 HG SER 69 HG SER 69 -12.984 -4.621 5.241 564 H THR 70 H THR 70 -9.603 -5.226 8.941 565 HA THR 70 HA THR 70 -11.252 -5.881 11.159 566 HB THR 70 HB THR 70 -9.168 -3.691 11.012 567 HG1 THR 70 HG1 THR 70 -8.924 -6.427 10.890 568 1HG2 THR 70 1HG2 THR 70 -8.914 -4.114 13.410 569 2HG2 THR 70 2HG2 THR 70 -10.178 -5.341 13.335 570 3HG2 THR 70 3HG2 THR 70 -10.571 -3.650 13.026 571 H SER 71 H SER 71 -10.994 -3.111 9.026 572 HA SER 71 HA SER 71 -13.363 -1.913 10.206 573 1HB SER 71 2HB SER 71 -10.691 -0.502 10.039 574 2HB SER 71 1HB SER 71 -12.217 0.288 10.413 575 HG SER 71 HG SER 71 -11.617 -0.189 12.392 576 H LEU 72 H LEU 72 -13.725 0.297 8.944 577 HA LEU 72 HA LEU 72 -13.512 -0.342 6.097 578 1HB LEU 72 2HB LEU 72 -15.272 1.369 5.782 579 2HB LEU 72 1HB LEU 72 -15.767 0.058 6.830 580 HG LEU 72 HG LEU 72 -14.792 2.681 7.951 581 1HD1 LEU 72 1HD1 LEU 72 -16.633 3.167 6.422 582 2HD1 LEU 72 2HD1 LEU 72 -17.109 3.402 8.103 583 3HD1 LEU 72 3HD1 LEU 72 -17.630 1.958 7.233 584 1HD2 LEU 72 1HD2 LEU 72 -16.604 0.529 9.053 585 2HD2 LEU 72 2HD2 LEU 72 -16.144 2.017 9.882 586 3HD2 LEU 72 3HD2 LEU 72 -14.921 0.802 9.509 587 H THR 73 H THR 73 -14.158 2.890 6.308 588 HA THR 73 HA THR 73 -11.514 3.710 5.554 589 HB THR 73 HB THR 73 -13.657 5.661 6.335 590 HG1 THR 73 HG1 THR 73 -14.715 5.262 4.356 591 1HG2 THR 73 1HG2 THR 73 -11.575 6.563 5.465 592 2HG2 THR 73 2HG2 THR 73 -12.851 6.811 4.275 593 3HG2 THR 73 3HG2 THR 73 -11.676 5.518 4.050 594 H ASN 74 H ASN 74 -11.226 2.532 7.952 595 HA ASN 74 HA ASN 74 -10.663 4.716 9.836 596 1HB ASN 74 2HB ASN 74 -12.434 2.354 10.293 597 2HB ASN 74 1HB ASN 74 -11.373 2.835 11.606 598 1HD2 ASN 74 1HD2 ASN 74 -12.720 5.197 9.412 599 2HD2 ASN 74 2HD2 ASN 74 -13.838 5.881 10.551 600 H LEU 75 H LEU 75 -8.434 4.543 9.737 601 HA LEU 75 HA LEU 75 -7.357 1.923 10.568 602 1HB LEU 75 2HB LEU 75 -6.622 2.598 8.309 603 2HB LEU 75 1HB LEU 75 -5.958 4.076 8.973 604 HG LEU 75 HG LEU 75 -4.221 2.903 10.109 605 1HD1 LEU 75 1HD1 LEU 75 -5.519 1.017 10.939 606 2HD1 LEU 75 2HD1 LEU 75 -4.058 0.460 10.124 607 3HD1 LEU 75 3HD1 LEU 75 -5.619 0.353 9.308 608 1HD2 LEU 75 1HD2 LEU 75 -3.861 3.230 7.711 609 2HD2 LEU 75 2HD2 LEU 75 -4.602 1.664 7.381 610 3HD2 LEU 75 3HD2 LEU 75 -3.086 1.752 8.277 611 H TYR 76 H TYR 76 -7.137 5.419 10.871 612 HA TYR 76 HA TYR 76 -6.116 5.014 13.604 613 1HB TYR 76 2HB TYR 76 -4.500 6.205 12.128 614 2HB TYR 76 1HB TYR 76 -5.713 7.450 11.850 615 HD1 TYR 76 HD2 TYR 76 -4.511 5.699 14.931 616 HD2 TYR 76 HD1 TYR 76 -5.099 9.395 12.908 617 HE1 TYR 76 HE2 TYR 76 -3.730 6.908 16.925 618 HE2 TYR 76 HE1 TYR 76 -4.322 10.614 14.896 619 HH TYR 76 HH TYR 76 -2.806 9.031 17.551 620 H GLU 77 H GLU 77 -7.441 7.950 12.143 621 HA GLU 77 HA GLU 77 -10.104 7.529 12.915 622 1HB GLU 77 2HB GLU 77 -10.135 9.407 14.562 623 2HB GLU 77 1HB GLU 77 -9.419 7.918 15.133 624 1HG GLU 77 2HG GLU 77 -7.195 8.884 14.731 625 2HG GLU 77 1HG GLU 77 -7.963 10.393 14.235 626 HA PRO 78 HA PRO 78 -9.969 10.715 9.751 627 1HB PRO 78 2HB PRO 78 -12.688 10.094 9.129 628 2HB PRO 78 1HB PRO 78 -11.240 9.631 8.237 629 1HG PRO 78 2HG PRO 78 -12.904 7.881 9.583 630 2HG PRO 78 1HG PRO 78 -11.227 7.544 9.125 631 1HD PRO 78 2HD PRO 78 -12.345 8.375 11.768 632 2HD PRO 78 1HD PRO 78 -11.009 7.260 11.404 633 H GLY 79 H GLY 79 -11.159 12.643 9.276 634 1HA GLY 79 2HA GLY 79 -13.139 13.489 11.280 635 2HA GLY 79 1HA GLY 79 -11.706 14.481 11.038 636 H ALA 80 H ALA 80 -11.928 16.119 9.643 637 HA ALA 80 HA ALA 80 -14.146 16.292 7.829 638 1HB ALA 80 1HB ALA 80 -13.182 18.308 8.792 639 2HB ALA 80 2HB ALA 80 -13.051 18.351 7.033 640 3HB ALA 80 3HB ALA 80 -11.638 17.962 8.014 641 H VAL 81 H VAL 81 -11.332 14.604 7.783 642 HA VAL 81 HA VAL 81 -11.524 14.152 4.890 643 HB VAL 81 HB VAL 81 -9.525 15.537 5.277 644 1HG1 VAL 81 1HG1 VAL 81 -9.075 14.966 7.590 645 2HG1 VAL 81 2HG1 VAL 81 -7.643 14.688 6.598 646 3HG1 VAL 81 3HG1 VAL 81 -8.634 13.326 7.119 647 1HG2 VAL 81 1HG2 VAL 81 -7.852 14.059 4.251 648 2HG2 VAL 81 2HG2 VAL 81 -9.437 13.893 3.496 649 3HG2 VAL 81 3HG2 VAL 81 -8.867 12.669 4.629 650 H SER 82 H SER 82 -11.216 11.947 4.309 651 HA SER 82 HA SER 82 -11.442 10.138 6.606 652 1HB SER 82 2HB SER 82 -12.143 9.585 3.708 653 2HB SER 82 1HB SER 82 -12.507 8.568 5.101 654 HG SER 82 HG SER 82 -13.399 11.228 5.059 655 H GLU 83 H GLU 83 -10.587 7.835 6.014 656 HA GLU 83 HA GLU 83 -8.052 7.895 4.602 657 1HB GLU 83 2HB GLU 83 -6.961 6.952 6.755 658 2HB GLU 83 1HB GLU 83 -7.204 8.690 6.630 659 1HG GLU 83 2HG GLU 83 -8.938 8.696 8.153 660 2HG GLU 83 1HG GLU 83 -9.287 6.985 7.920 661 H PHE 84 H PHE 84 -8.138 6.055 3.427 662 HA PHE 84 HA PHE 84 -9.802 3.879 4.285 663 1HB PHE 84 2HB PHE 84 -8.516 4.681 1.821 664 2HB PHE 84 1HB PHE 84 -8.288 2.961 2.129 665 HD1 PHE 84 HD1 PHE 84 -11.009 5.486 2.393 666 HD2 PHE 84 HD2 PHE 84 -9.879 1.555 1.255 667 HE1 PHE 84 HE1 PHE 84 -13.302 5.069 1.627 668 HE2 PHE 84 HE2 PHE 84 -12.177 1.118 0.486 669 HZ PHE 84 HZ PHE 84 -13.895 2.875 0.669 670 H TYR 85 H TYR 85 -9.272 2.312 5.523 671 HA TYR 85 HA TYR 85 -6.598 1.840 6.390 672 1HB TYR 85 2HB TYR 85 -7.986 1.381 8.122 673 2HB TYR 85 1HB TYR 85 -9.323 0.952 7.072 674 HD1 TYR 85 HD2 TYR 85 -5.992 -0.462 8.080 675 HD2 TYR 85 HD1 TYR 85 -10.095 -1.164 7.215 676 HE1 TYR 85 HE2 TYR 85 -5.705 -2.834 8.655 677 HE2 TYR 85 HE1 TYR 85 -9.828 -3.526 7.796 678 HH TYR 85 HH TYR 85 -6.948 -4.750 9.288 679 H ILE 86 H ILE 86 -5.269 1.093 4.862 680 HA ILE 86 HA ILE 86 -6.125 -1.247 3.283 681 HB ILE 86 HB ILE 86 -3.777 0.589 2.773 682 1HG1 ILE 86 2HG1 ILE 86 -5.912 1.804 2.531 683 2HG1 ILE 86 1HG1 ILE 86 -5.115 1.579 0.979 684 1HG2 ILE 86 1HG2 ILE 86 -3.506 -1.637 1.866 685 2HG2 ILE 86 2HG2 ILE 86 -3.769 -0.475 0.565 686 3HG2 ILE 86 3HG2 ILE 86 -5.083 -1.533 1.082 687 1HD1 ILE 86 1HD1 ILE 86 -7.403 -0.070 2.022 688 2HD1 ILE 86 2HD1 ILE 86 -6.626 -0.245 0.448 689 3HD1 ILE 86 3HD1 ILE 86 -7.520 1.227 0.834 690 H GLU 87 H GLU 87 -5.560 -3.012 4.489 691 HA GLU 87 HA GLU 87 -2.864 -3.066 5.662 692 1HB GLU 87 2HB GLU 87 -4.795 -3.406 7.207 693 2HB GLU 87 1HB GLU 87 -5.214 -4.853 6.303 694 1HG GLU 87 2HG GLU 87 -3.046 -5.835 6.891 695 2HG GLU 87 1HG GLU 87 -2.664 -4.392 7.830 696 H ILE 88 H ILE 88 -1.543 -3.857 4.120 697 HA ILE 88 HA ILE 88 -2.382 -6.331 2.745 698 HB ILE 88 HB ILE 88 -0.254 -4.349 1.903 699 1HG1 ILE 88 2HG1 ILE 88 -3.024 -4.857 0.789 700 2HG1 ILE 88 1HG1 ILE 88 -2.516 -3.423 1.678 701 1HG2 ILE 88 1HG2 ILE 88 0.283 -6.591 1.179 702 2HG2 ILE 88 2HG2 ILE 88 -0.245 -5.634 -0.206 703 3HG2 ILE 88 3HG2 ILE 88 -1.342 -6.803 0.528 704 1HD1 ILE 88 1HD1 ILE 88 -2.604 -3.004 -0.707 705 2HD1 ILE 88 2HD1 ILE 88 -1.460 -4.318 -0.990 706 3HD1 ILE 88 3HD1 ILE 88 -0.950 -2.878 -0.105 707 H THR 89 H THR 89 -1.656 -7.974 3.894 708 HA THR 89 HA THR 89 1.056 -7.879 4.976 709 HB THR 89 HB THR 89 -0.964 -10.094 5.348 710 HG1 THR 89 HG1 THR 89 -1.181 -7.603 6.185 711 1HG2 THR 89 1HG2 THR 89 1.408 -9.214 7.001 712 2HG2 THR 89 2HG2 THR 89 1.371 -10.617 5.933 713 3HG2 THR 89 3HG2 THR 89 0.338 -10.568 7.362 714 H GLU 90 H GLU 90 2.657 -9.146 4.206 715 HA GLU 90 HA GLU 90 2.782 -10.020 1.628 716 1HB GLU 90 2HB GLU 90 4.734 -9.712 3.032 717 2HB GLU 90 1HB GLU 90 4.259 -11.067 4.043 718 1HG GLU 90 2HG GLU 90 4.624 -12.598 2.201 719 2HG GLU 90 1HG GLU 90 5.049 -11.249 1.146 720 H ILE 91 H ILE 91 1.936 -11.634 0.515 721 HA ILE 91 HA ILE 91 0.287 -13.615 1.704 722 HB ILE 91 HB ILE 91 -0.041 -12.740 -0.610 723 1HG1 ILE 91 2HG1 ILE 91 0.099 -15.649 0.047 724 2HG1 ILE 91 1HG1 ILE 91 -1.302 -14.634 -0.275 725 1HG2 ILE 91 1HG2 ILE 91 2.321 -14.474 -1.310 726 2HG2 ILE 91 2HG2 ILE 91 2.319 -12.711 -1.287 727 3HG2 ILE 91 3HG2 ILE 91 1.306 -13.579 -2.441 728 1HD1 ILE 91 1HD1 ILE 91 -0.773 -14.659 -2.654 729 2HD1 ILE 91 2HD1 ILE 91 -0.998 -16.288 -2.015 730 3HD1 ILE 91 3HD1 ILE 91 0.628 -15.681 -2.329 731 H ASP 92 H ASP 92 0.626 -15.890 1.757 732 HA ASP 92 HA ASP 92 3.209 -16.706 2.535 733 1HB ASP 92 2HB ASP 92 0.846 -18.405 1.729 734 2HB ASP 92 1HB ASP 92 2.286 -18.994 2.542 735 H LYS 93 H LYS 93 4.456 -18.433 1.531 736 HA LYS 93 HA LYS 93 4.600 -17.963 -1.379 737 1HB LYS 93 2HB LYS 93 6.818 -18.721 0.515 738 2HB LYS 93 1HB LYS 93 6.996 -18.300 -1.183 739 1HG LYS 93 2HG LYS 93 6.274 -16.019 -0.709 740 2HG LYS 93 1HG LYS 93 6.043 -16.437 0.991 741 1HD LYS 93 2HD LYS 93 8.481 -17.075 1.045 742 2HD LYS 93 1HD LYS 93 8.625 -16.355 -0.560 743 1HE LYS 93 2HE LYS 93 7.711 -14.932 1.940 744 2HE LYS 93 1HE LYS 93 9.304 -14.792 1.203 745 1HZ LYS 93 1HZ LYS 93 7.822 -12.944 0.629 746 2HZ LYS 93 2HZ LYS 93 6.760 -14.032 -0.119 747 3HZ LYS 93 3HZ LYS 93 8.318 -13.817 -0.745 748 H ASN 94 H ASN 94 3.151 -19.987 0.197 749 HA ASN 94 HA ASN 94 4.481 -22.515 -0.064 750 1HB ASN 94 2HB ASN 94 2.649 -21.768 1.589 751 2HB ASN 94 1HB ASN 94 1.560 -22.166 0.267 752 1HD2 ASN 94 1HD2 ASN 94 0.604 -23.837 1.445 753 2HD2 ASN 94 2HD2 ASN 94 1.421 -25.339 1.729 754 H ALA 95 H ALA 95 4.691 -21.691 -2.445 755 HA ALA 95 HA ALA 95 4.472 -22.324 -4.587 756 1HB ALA 95 1HB ALA 95 3.471 -24.458 -5.116 757 2HB ALA 95 2HB ALA 95 2.633 -24.474 -3.564 758 3HB ALA 95 3HB ALA 95 4.391 -24.590 -3.617 759 H ASP 96 H ASP 96 2.305 -23.334 -6.048 760 HA ASP 96 HA ASP 96 0.588 -20.974 -6.099 761 1HB ASP 96 2HB ASP 96 1.616 -21.601 -8.204 762 2HB ASP 96 1HB ASP 96 0.946 -23.220 -8.092 763 H SER 97 H SER 97 -1.692 -21.319 -6.618 764 HA SER 97 HA SER 97 -2.946 -23.740 -5.699 765 1HB SER 97 2HB SER 97 -2.417 -22.691 -3.546 766 2HB SER 97 1HB SER 97 -3.187 -21.194 -4.069 767 HG SER 97 HG SER 97 -5.129 -22.554 -4.333 768 H LEU 98 H LEU 98 -2.883 -21.978 -8.067 769 HA LEU 98 HA LEU 98 -5.585 -20.845 -7.990 770 1HB LEU 98 2HB LEU 98 -3.125 -20.086 -9.460 771 2HB LEU 98 1HB LEU 98 -4.667 -19.787 -10.239 772 HG LEU 98 HG LEU 98 -4.022 -17.790 -9.132 773 1HD1 LEU 98 1HD1 LEU 98 -6.383 -18.337 -9.006 774 2HD1 LEU 98 2HD1 LEU 98 -5.866 -17.438 -7.580 775 3HD1 LEU 98 3HD1 LEU 98 -6.116 -19.181 -7.481 776 1HD2 LEU 98 1HD2 LEU 98 -3.557 -17.680 -6.726 777 2HD2 LEU 98 2HD2 LEU 98 -2.396 -18.700 -7.577 778 3HD2 LEU 98 3HD2 LEU 98 -3.689 -19.437 -6.632 779 H GLU 99 H GLU 99 -7.098 -21.885 -8.874 780 HA GLU 99 HA GLU 99 -6.843 -22.910 -11.578 781 1HB GLU 99 2HB GLU 99 -7.710 -24.607 -9.242 782 2HB GLU 99 1HB GLU 99 -8.288 -24.928 -10.870 783 1HG GLU 99 2HG GLU 99 -5.803 -25.004 -11.510 784 2HG GLU 99 1HG GLU 99 -5.518 -25.162 -9.776 785 H HIS 100 H HIS 100 -9.129 -23.548 -12.344 786 HA HIS 100 HA HIS 100 -11.340 -23.106 -12.659 787 1HB HIS 100 2HB HIS 100 -11.247 -21.887 -9.888 788 2HB HIS 100 1HB HIS 100 -12.712 -22.107 -10.835 789 HD1 HIS 100 HD1 HIS 100 -10.435 -23.844 -8.528 790 HD2 HIS 100 HD2 HIS 100 -13.464 -24.869 -11.188 791 HE1 HIS 100 HE1 HIS 100 -11.104 -26.185 -7.922 792 HE2 HIS 100 HE2 HIS 100 -13.082 -26.694 -9.391 793 H HIS 101 H HIS 101 -9.628 -20.409 -11.117 794 HA HIS 101 HA HIS 101 -10.651 -18.631 -13.219 795 1HB HIS 101 2HB HIS 101 -11.143 -16.883 -11.608 796 2HB HIS 101 1HB HIS 101 -12.043 -18.330 -11.177 797 HD1 HIS 101 HD1 HIS 101 -9.525 -15.954 -9.917 798 HD2 HIS 101 HD2 HIS 101 -11.026 -19.679 -8.839 799 HE1 HIS 101 HE1 HIS 101 -8.798 -16.314 -7.542 800 HE2 HIS 101 HE2 HIS 101 -9.526 -18.664 -6.988 801 H HIS 102 H HIS 102 -9.471 -16.521 -13.192 802 HA HIS 102 HA HIS 102 -6.617 -16.889 -12.483 803 1HB HIS 102 2HB HIS 102 -7.689 -14.912 -14.499 804 2HB HIS 102 1HB HIS 102 -6.044 -15.501 -14.328 805 HD1 HIS 102 HD1 HIS 102 -9.232 -16.138 -16.024 806 HD2 HIS 102 HD2 HIS 102 -5.649 -18.156 -15.369 807 HE1 HIS 102 HE1 HIS 102 -9.208 -18.044 -17.678 808 HE2 HIS 102 HE2 HIS 102 -6.958 -19.148 -17.373 809 H HIS 103 H HIS 103 -6.157 -14.019 -13.002 810 HA HIS 103 HA HIS 103 -7.126 -12.907 -10.526 811 1HB HIS 103 2HB HIS 103 -5.629 -11.575 -12.800 812 2HB HIS 103 1HB HIS 103 -5.936 -10.862 -11.219 813 HD1 HIS 103 HD1 HIS 103 -3.176 -11.928 -12.816 814 HD2 HIS 103 HD2 HIS 103 -4.930 -13.264 -9.289 815 HE1 HIS 103 HE1 HIS 103 -1.344 -13.087 -11.540 816 HE2 HIS 103 HE2 HIS 103 -2.490 -14.086 -9.527 817 H HIS 104 H HIS 104 -8.829 -11.637 -10.250 818 HA HIS 104 HA HIS 104 -10.884 -10.843 -10.506 819 1HB HIS 104 2HB HIS 104 -11.354 -9.170 -12.171 820 2HB HIS 104 1HB HIS 104 -9.742 -8.949 -11.522 821 HD1 HIS 104 HD1 HIS 104 -7.952 -8.588 -13.177 822 HD2 HIS 104 HD2 HIS 104 -11.312 -10.355 -14.884 823 HE1 HIS 104 HE1 HIS 104 -7.517 -8.628 -15.658 824 HE2 HIS 104 HE2 HIS 104 -9.659 -9.486 -16.675 825 H HIS 105 H HIS 105 -9.914 -12.645 -13.402 826 HA HIS 105 HA HIS 105 -12.436 -14.057 -13.211 827 1HB HIS 105 2HB HIS 105 -12.989 -12.228 -14.783 828 2HB HIS 105 1HB HIS 105 -11.648 -12.724 -15.813 829 HD1 HIS 105 HD1 HIS 105 -11.928 -14.946 -17.148 830 HD2 HIS 105 HD2 HIS 105 -15.277 -13.825 -14.953 831 HE1 HIS 105 HE1 HIS 105 -13.804 -16.390 -17.991 832 HE2 HIS 105 HE2 HIS 105 -15.725 -15.899 -16.439 Start of MODEL 9 1 1H MET 1 1H MET 1 11.672 5.406 4.116 2 2H MET 1 2H MET 1 10.386 5.139 5.191 3 3H MET 1 3H MET 1 11.320 6.550 5.324 4 HA MET 1 HA MET 1 9.240 7.072 4.319 5 1HB MET 1 2HB MET 1 11.660 7.156 2.548 6 2HB MET 1 1HB MET 1 10.125 7.803 1.990 7 1HG MET 1 2HG MET 1 10.082 9.331 3.898 8 2HG MET 1 1HG MET 1 11.630 8.687 4.441 9 1HE MET 1 1HE MET 1 12.475 11.257 4.502 10 2HE MET 1 2HE MET 1 10.934 11.812 3.848 11 3HE MET 1 3HE MET 1 12.445 12.317 3.093 12 H VAL 2 H VAL 2 10.946 5.231 1.792 13 HA VAL 2 HA VAL 2 10.163 3.922 0.098 14 HB VAL 2 HB VAL 2 7.886 3.143 1.936 15 1HG1 VAL 2 1HG1 VAL 2 7.992 1.009 0.735 16 2HG1 VAL 2 2HG1 VAL 2 9.282 1.648 -0.283 17 3HG1 VAL 2 3HG1 VAL 2 7.668 2.357 -0.355 18 1HG2 VAL 2 1HG2 VAL 2 9.973 2.923 3.164 19 2HG2 VAL 2 2HG2 VAL 2 10.665 1.981 1.844 20 3HG2 VAL 2 3HG2 VAL 2 9.307 1.340 2.769 21 H LYS 3 H LYS 3 9.554 6.561 -0.002 22 HA LYS 3 HA LYS 3 6.720 6.936 -0.424 23 1HB LYS 3 2HB LYS 3 8.268 8.662 0.608 24 2HB LYS 3 1HB LYS 3 8.939 8.897 -1.002 25 1HG LYS 3 2HG LYS 3 6.713 9.514 -1.822 26 2HG LYS 3 1HG LYS 3 6.076 9.329 -0.188 27 1HD LYS 3 2HD LYS 3 7.675 11.078 0.568 28 2HD LYS 3 1HD LYS 3 8.151 11.313 -1.116 29 1HE LYS 3 2HE LYS 3 5.402 11.710 0.055 30 2HE LYS 3 1HE LYS 3 6.507 12.972 -0.493 31 1HZ LYS 3 1HZ LYS 3 6.262 12.290 -2.719 32 2HZ LYS 3 2HZ LYS 3 4.689 12.334 -2.081 33 3HZ LYS 3 3HZ LYS 3 5.476 10.849 -2.291 34 H THR 4 H THR 4 9.630 6.492 -2.310 35 HA THR 4 HA THR 4 8.337 6.896 -4.838 36 HB THR 4 HB THR 4 10.764 5.148 -4.556 37 HG1 THR 4 HG1 THR 4 10.939 7.995 -4.553 38 1HG2 THR 4 1HG2 THR 4 9.942 7.287 -6.525 39 2HG2 THR 4 2HG2 THR 4 9.828 5.544 -6.775 40 3HG2 THR 4 3HG2 THR 4 11.409 6.313 -6.622 41 H LEU 5 H LEU 5 6.441 5.649 -4.556 42 HA LEU 5 HA LEU 5 6.834 2.757 -4.806 43 1HB LEU 5 2HB LEU 5 6.392 3.283 -2.433 44 2HB LEU 5 1HB LEU 5 4.905 4.093 -2.900 45 HG LEU 5 HG LEU 5 4.126 1.872 -3.837 46 1HD1 LEU 5 1HD1 LEU 5 6.509 0.892 -2.277 47 2HD1 LEU 5 2HD1 LEU 5 6.296 0.803 -4.027 48 3HD1 LEU 5 3HD1 LEU 5 5.240 -0.124 -2.958 49 1HD2 LEU 5 1HD2 LEU 5 4.684 2.098 -0.882 50 2HD2 LEU 5 2HD2 LEU 5 3.529 0.989 -1.617 51 3HD2 LEU 5 3HD2 LEU 5 3.278 2.729 -1.739 52 H ARG 6 H ARG 6 5.493 1.826 -6.260 53 HA ARG 6 HA ARG 6 3.081 3.298 -7.032 54 1HB ARG 6 2HB ARG 6 3.434 2.843 -9.383 55 2HB ARG 6 1HB ARG 6 4.811 3.723 -8.739 56 1HG ARG 6 2HG ARG 6 6.119 1.688 -8.664 57 2HG ARG 6 1HG ARG 6 4.729 0.749 -9.210 58 1HD ARG 6 2HD ARG 6 4.700 2.162 -11.280 59 2HD ARG 6 1HD ARG 6 6.221 2.871 -10.740 60 HE ARG 6 HE ARG 6 6.408 0.047 -10.786 61 1HH1 ARG 6 1HH1 ARG 6 6.282 2.810 -12.944 62 2HH1 ARG 6 2HH1 ARG 6 7.236 2.037 -14.184 63 1HH2 ARG 6 1HH2 ARG 6 7.608 -0.986 -12.422 64 2HH2 ARG 6 2HH2 ARG 6 7.968 -0.121 -13.893 65 H LEU 7 H LEU 7 1.317 2.078 -7.500 66 HA LEU 7 HA LEU 7 1.599 -0.840 -7.153 67 1HB LEU 7 2HB LEU 7 -0.770 0.920 -6.495 68 2HB LEU 7 1HB LEU 7 -0.718 -0.822 -6.313 69 HG LEU 7 HG LEU 7 0.934 1.174 -4.761 70 1HD1 LEU 7 1HD1 LEU 7 -0.394 0.439 -2.855 71 2HD1 LEU 7 2HD1 LEU 7 -1.338 -0.611 -3.911 72 3HD1 LEU 7 3HD1 LEU 7 -1.413 1.140 -4.112 73 1HD2 LEU 7 1HD2 LEU 7 2.179 -0.884 -5.146 74 2HD2 LEU 7 2HD2 LEU 7 0.815 -1.833 -4.556 75 3HD2 LEU 7 3HD2 LEU 7 1.681 -0.757 -3.458 76 H ASN 8 H ASN 8 1.294 -1.886 -8.993 77 HA ASN 8 HA ASN 8 0.646 -2.418 -11.103 78 1HB ASN 8 2HB ASN 8 -1.848 -1.005 -10.154 79 2HB ASN 8 1HB ASN 8 -1.739 -1.793 -11.723 80 1HD2 ASN 8 1HD2 ASN 8 -3.312 -3.281 -11.249 81 2HD2 ASN 8 2HD2 ASN 8 -3.076 -4.578 -10.133 82 H ASN 9 H ASN 9 2.321 -0.290 -10.926 83 HA ASN 9 HA ASN 9 3.308 1.185 -12.341 84 1HB ASN 9 2HB ASN 9 0.859 0.684 -14.017 85 2HB ASN 9 1HB ASN 9 2.082 1.861 -14.482 86 1HD2 ASN 9 1HD2 ASN 9 1.175 -0.716 -15.666 87 2HD2 ASN 9 2HD2 ASN 9 2.628 -1.637 -15.879 88 H VAL 10 H VAL 10 0.470 1.736 -10.686 89 HA VAL 10 HA VAL 10 0.318 4.566 -11.383 90 HB VAL 10 HB VAL 10 -1.406 2.929 -9.514 91 1HG1 VAL 10 1HG1 VAL 10 -1.766 5.764 -10.490 92 2HG1 VAL 10 2HG1 VAL 10 -1.307 5.287 -8.855 93 3HG1 VAL 10 3HG1 VAL 10 -2.898 4.860 -9.484 94 1HG2 VAL 10 1HG2 VAL 10 -3.105 3.154 -11.277 95 2HG2 VAL 10 2HG2 VAL 10 -1.678 2.283 -11.839 96 3HG2 VAL 10 3HG2 VAL 10 -1.919 3.967 -12.298 97 H THR 11 H THR 11 1.561 5.928 -10.346 98 HA THR 11 HA THR 11 3.041 5.211 -8.034 99 HB THR 11 HB THR 11 3.865 7.535 -8.106 100 HG1 THR 11 HG1 THR 11 1.666 8.284 -8.925 101 1HG2 THR 11 1HG2 THR 11 3.656 6.186 -10.802 102 2HG2 THR 11 2HG2 THR 11 4.900 5.910 -9.582 103 3HG2 THR 11 3HG2 THR 11 4.797 7.470 -10.400 104 H LEU 12 H LEU 12 2.611 5.549 -5.916 105 HA LEU 12 HA LEU 12 -0.013 6.748 -5.323 106 1HB LEU 12 2HB LEU 12 0.261 4.302 -4.908 107 2HB LEU 12 1HB LEU 12 1.504 4.681 -3.732 108 HG LEU 12 HG LEU 12 -0.185 5.926 -2.399 109 1HD1 LEU 12 1HD1 LEU 12 -1.732 6.507 -4.170 110 2HD1 LEU 12 2HD1 LEU 12 -2.562 5.583 -2.918 111 3HD1 LEU 12 3HD1 LEU 12 -2.106 4.803 -4.431 112 1HD2 LEU 12 1HD2 LEU 12 -0.893 3.057 -3.004 113 2HD2 LEU 12 2HD2 LEU 12 -1.325 3.951 -1.545 114 3HD2 LEU 12 3HD2 LEU 12 0.367 3.598 -1.893 115 H GLU 13 H GLU 13 -0.270 7.910 -3.378 116 HA GLU 13 HA GLU 13 2.209 8.940 -2.173 117 1HB GLU 13 2HB GLU 13 1.014 10.683 -3.438 118 2HB GLU 13 1HB GLU 13 -0.454 10.346 -2.534 119 1HG GLU 13 2HG GLU 13 0.595 12.340 -1.694 120 2HG GLU 13 1HG GLU 13 0.657 11.071 -0.474 121 H MET 14 H MET 14 2.417 8.482 -0.057 122 HA MET 14 HA MET 14 0.018 7.653 1.429 123 1HB MET 14 2HB MET 14 2.739 6.386 1.786 124 2HB MET 14 1HB MET 14 1.234 5.904 2.546 125 1HG MET 14 2HG MET 14 1.654 4.298 0.898 126 2HG MET 14 1HG MET 14 0.397 5.337 0.229 127 1HE MET 14 1HE MET 14 4.338 4.887 0.357 128 2HE MET 14 2HE MET 14 4.033 6.618 0.528 129 3HE MET 14 3HE MET 14 4.807 5.998 -0.932 130 H ALA 15 H ALA 15 -0.253 9.087 2.962 131 HA ALA 15 HA ALA 15 1.759 10.888 3.828 132 1HB ALA 15 1HB ALA 15 -0.608 11.455 3.817 133 2HB ALA 15 2HB ALA 15 0.089 11.655 5.428 134 3HB ALA 15 3HB ALA 15 -0.909 10.245 5.064 135 H ALA 16 H ALA 16 0.194 8.104 5.362 136 HA ALA 16 HA ALA 16 2.554 7.887 7.102 137 1HB ALA 16 1HB ALA 16 0.616 8.599 8.418 138 2HB ALA 16 2HB ALA 16 1.146 6.980 8.870 139 3HB ALA 16 3HB ALA 16 -0.281 7.189 7.856 140 H TYR 17 H TYR 17 3.456 6.538 5.500 141 HA TYR 17 HA TYR 17 2.173 4.058 4.813 142 1HB TYR 17 2HB TYR 17 3.761 5.203 3.278 143 2HB TYR 17 1HB TYR 17 5.058 4.904 4.429 144 HD1 TYR 17 HD1 TYR 17 2.563 3.182 2.283 145 HD2 TYR 17 HD2 TYR 17 6.272 2.896 4.346 146 HE1 TYR 17 HE1 TYR 17 2.987 1.012 1.207 147 HE2 TYR 17 HE2 TYR 17 6.709 0.725 3.279 148 HH TYR 17 HH TYR 17 5.482 -1.088 2.226 149 H GLN 18 H GLN 18 1.756 2.959 6.706 150 HA GLN 18 HA GLN 18 3.997 2.438 8.503 151 1HB GLN 18 2HB GLN 18 1.848 3.189 9.467 152 2HB GLN 18 1HB GLN 18 1.062 1.766 8.800 153 1HG GLN 18 2HG GLN 18 2.453 0.335 10.188 154 2HG GLN 18 1HG GLN 18 3.274 1.753 10.835 155 1HE2 GLN 18 1HE2 GLN 18 2.693 1.352 12.922 156 2HE2 GLN 18 2HE2 GLN 18 1.068 1.535 13.506 157 H GLU 19 H GLU 19 4.929 0.455 8.687 158 HA GLU 19 HA GLU 19 3.681 -1.720 7.174 159 1HB GLU 19 2HB GLU 19 5.981 -2.448 6.470 160 2HB GLU 19 1HB GLU 19 5.407 -0.963 5.729 161 1HG GLU 19 2HG GLU 19 7.682 -0.639 6.257 162 2HG GLU 19 1HG GLU 19 6.754 0.297 7.422 163 H GLU 20 H GLU 20 4.408 -3.823 7.746 164 HA GLU 20 HA GLU 20 5.845 -4.132 10.284 165 1HB GLU 20 2HB GLU 20 3.236 -5.462 9.500 166 2HB GLU 20 1HB GLU 20 4.271 -6.061 10.785 167 1HG GLU 20 2HG GLU 20 3.063 -3.307 10.742 168 2HG GLU 20 1HG GLU 20 2.338 -4.698 11.548 169 H SER 21 H SER 21 7.584 -5.319 9.803 170 HA SER 21 HA SER 21 7.406 -7.019 7.420 171 1HB SER 21 2HB SER 21 9.810 -5.758 8.752 172 2HB SER 21 1HB SER 21 9.884 -6.813 7.342 173 HG SER 21 HG SER 21 8.652 -4.257 7.549 174 H GLU 22 H GLU 22 7.699 -7.220 10.834 175 HA GLU 22 HA GLU 22 9.111 -9.747 10.550 176 1HB GLU 22 2HB GLU 22 8.914 -7.979 12.950 177 2HB GLU 22 1HB GLU 22 9.586 -9.605 13.013 178 1HG GLU 22 2HG GLU 22 11.079 -8.757 11.070 179 2HG GLU 22 1HG GLU 22 10.648 -7.164 11.688 180 HA PRO 23 HA PRO 23 5.329 -11.073 13.238 181 1HB PRO 23 2HB PRO 23 3.574 -9.117 11.823 182 2HB PRO 23 1HB PRO 23 3.363 -9.835 13.424 183 1HG PRO 23 2HG PRO 23 4.210 -7.340 13.202 184 2HG PRO 23 1HG PRO 23 4.955 -8.425 14.394 185 1HD PRO 23 2HD PRO 23 6.002 -7.497 11.760 186 2HD PRO 23 1HD PRO 23 6.873 -7.829 13.273 187 H LYS 24 H LYS 24 5.305 -9.538 10.139 188 HA LYS 24 HA LYS 24 5.392 -11.696 8.461 189 1HB LYS 24 2HB LYS 24 3.011 -12.065 9.449 190 2HB LYS 24 1HB LYS 24 2.552 -10.658 8.497 191 1HG LYS 24 2HG LYS 24 3.227 -11.792 6.458 192 2HG LYS 24 1HG LYS 24 3.758 -13.192 7.393 193 1HD LYS 24 2HD LYS 24 1.316 -13.164 8.292 194 2HD LYS 24 1HD LYS 24 0.991 -12.208 6.845 195 1HE LYS 24 2HE LYS 24 2.217 -14.967 6.923 196 2HE LYS 24 1HE LYS 24 0.564 -14.584 6.453 197 1HZ LYS 24 1HZ LYS 24 1.855 -14.910 4.497 198 2HZ LYS 24 2HZ LYS 24 3.056 -13.828 5.012 199 3HZ LYS 24 3HZ LYS 24 1.512 -13.255 4.601 200 H ARG 25 H ARG 25 5.512 -10.849 6.255 201 HA ARG 25 HA ARG 25 5.995 -8.040 6.186 202 1HB ARG 25 2HB ARG 25 5.882 -10.116 4.006 203 2HB ARG 25 1HB ARG 25 6.175 -8.416 3.668 204 1HG ARG 25 2HG ARG 25 8.141 -8.505 5.176 205 2HG ARG 25 1HG ARG 25 7.872 -10.240 5.355 206 1HD ARG 25 2HD ARG 25 8.363 -8.825 2.735 207 2HD ARG 25 1HD ARG 25 9.597 -9.679 3.661 208 HE ARG 25 HE ARG 25 7.384 -11.385 3.154 209 1HH1 ARG 25 1HH1 ARG 25 10.171 -9.935 1.569 210 2HH1 ARG 25 2HH1 ARG 25 10.285 -11.193 0.369 211 1HH2 ARG 25 1HH2 ARG 25 7.544 -13.020 1.596 212 2HH2 ARG 25 2HH2 ARG 25 8.815 -12.971 0.412 213 H LYS 26 H LYS 26 4.157 -6.938 6.745 214 HA LYS 26 HA LYS 26 2.008 -6.961 4.735 215 1HB LYS 26 2HB LYS 26 0.348 -6.630 6.538 216 2HB LYS 26 1HB LYS 26 1.166 -8.180 6.665 217 1HG LYS 26 2HG LYS 26 2.617 -7.263 8.413 218 2HG LYS 26 1HG LYS 26 1.770 -5.724 8.291 219 1HD LYS 26 2HD LYS 26 0.439 -8.333 9.000 220 2HD LYS 26 1HD LYS 26 1.016 -7.165 10.187 221 1HE LYS 26 2HE LYS 26 -0.991 -6.535 8.032 222 2HE LYS 26 1HE LYS 26 -1.424 -7.014 9.671 223 1HZ LYS 26 1HZ LYS 26 -1.442 -4.591 9.310 224 2HZ LYS 26 2HZ LYS 26 0.227 -4.639 9.007 225 3HZ LYS 26 3HZ LYS 26 -0.365 -5.067 10.536 226 H ILE 27 H ILE 27 1.175 -4.975 4.206 227 HA ILE 27 HA ILE 27 2.484 -2.678 5.508 228 HB ILE 27 HB ILE 27 2.394 -1.503 3.322 229 1HG1 ILE 27 2HG1 ILE 27 1.741 -4.243 2.204 230 2HG1 ILE 27 1HG1 ILE 27 0.613 -2.891 2.287 231 1HG2 ILE 27 1HG2 ILE 27 3.980 -4.063 3.397 232 2HG2 ILE 27 2HG2 ILE 27 4.453 -2.510 4.088 233 3HG2 ILE 27 3HG2 ILE 27 4.310 -2.692 2.338 234 1HD1 ILE 27 1HD1 ILE 27 1.564 -3.169 0.056 235 2HD1 ILE 27 2HD1 ILE 27 3.183 -2.934 0.716 236 3HD1 ILE 27 3HD1 ILE 27 2.010 -1.616 0.765 237 H ALA 28 H ALA 28 1.232 -1.058 6.175 238 HA ALA 28 HA ALA 28 -1.551 -0.945 5.232 239 1HB ALA 28 1HB ALA 28 -2.351 -0.530 7.487 240 2HB ALA 28 2HB ALA 28 -0.706 -0.644 8.120 241 3HB ALA 28 3HB ALA 28 -1.490 -2.072 7.436 242 H PHE 29 H PHE 29 -1.239 0.857 3.972 243 HA PHE 29 HA PHE 29 0.121 3.128 5.194 244 1HB PHE 29 2HB PHE 29 -0.173 4.178 2.894 245 2HB PHE 29 1HB PHE 29 0.927 2.815 3.019 246 HD1 PHE 29 HD1 PHE 29 -2.393 3.899 1.796 247 HD2 PHE 29 HD2 PHE 29 0.542 0.810 1.848 248 HE1 PHE 29 HE1 PHE 29 -3.523 2.793 -0.082 249 HE2 PHE 29 HE2 PHE 29 -0.595 -0.305 -0.023 250 HZ PHE 29 HZ PHE 29 -2.626 0.688 -0.994 251 H THR 30 H THR 30 -0.810 4.946 5.798 252 HA THR 30 HA THR 30 -3.695 5.010 5.950 253 HB THR 30 HB THR 30 -1.740 7.147 6.815 254 HG1 THR 30 HG1 THR 30 -1.696 4.764 7.684 255 1HG2 THR 30 1HG2 THR 30 -3.507 7.757 8.393 256 2HG2 THR 30 2HG2 THR 30 -4.535 6.478 7.747 257 3HG2 THR 30 3HG2 THR 30 -4.093 7.853 6.733 258 H LEU 31 H LEU 31 -4.856 5.709 4.324 259 HA LEU 31 HA LEU 31 -3.664 7.624 2.431 260 1HB LEU 31 2HB LEU 31 -4.357 5.223 1.726 261 2HB LEU 31 1HB LEU 31 -5.994 5.823 1.843 262 HG LEU 31 HG LEU 31 -5.638 7.414 0.102 263 1HD1 LEU 31 1HD1 LEU 31 -3.378 8.104 0.682 264 2HD1 LEU 31 2HD1 LEU 31 -3.486 7.664 -1.023 265 3HD1 LEU 31 3HD1 LEU 31 -2.753 6.549 0.131 266 1HD2 LEU 31 1HD2 LEU 31 -6.099 5.109 -0.581 267 2HD2 LEU 31 2HD2 LEU 31 -4.365 4.799 -0.663 268 3HD2 LEU 31 3HD2 LEU 31 -5.105 5.959 -1.766 269 H ASN 32 H ASN 32 -4.389 9.605 3.033 270 HA ASN 32 HA ASN 32 -7.040 9.834 4.129 271 1HB ASN 32 2HB ASN 32 -6.435 12.260 4.393 272 2HB ASN 32 1HB ASN 32 -5.496 11.119 5.327 273 1HD2 ASN 32 1HD2 ASN 32 -4.784 13.737 4.785 274 2HD2 ASN 32 2HD2 ASN 32 -3.366 13.740 3.803 275 H VAL 33 H VAL 33 -8.407 9.419 2.581 276 HA VAL 33 HA VAL 33 -8.332 10.525 -0.046 277 HB VAL 33 HB VAL 33 -10.547 9.130 1.471 278 1HG1 VAL 33 1HG1 VAL 33 -10.344 9.773 -1.468 279 2HG1 VAL 33 2HG1 VAL 33 -11.510 10.438 -0.322 280 3HG1 VAL 33 3HG1 VAL 33 -11.560 8.724 -0.738 281 1HG2 VAL 33 1HG2 VAL 33 -9.904 7.176 0.110 282 2HG2 VAL 33 2HG2 VAL 33 -8.606 7.720 1.173 283 3HG2 VAL 33 3HG2 VAL 33 -8.555 8.106 -0.548 284 H THR 34 H THR 34 -9.485 12.248 -0.871 285 HA THR 34 HA THR 34 -10.406 14.106 1.186 286 HB THR 34 HB THR 34 -9.902 15.871 -0.292 287 HG1 THR 34 HG1 THR 34 -9.128 15.155 -2.534 288 1HG2 THR 34 1HG2 THR 34 -7.843 13.709 -0.701 289 2HG2 THR 34 2HG2 THR 34 -7.936 14.808 0.675 290 3HG2 THR 34 3HG2 THR 34 -7.582 15.437 -0.936 291 H SER 35 H SER 35 -12.065 15.784 0.039 292 HA SER 35 HA SER 35 -14.420 14.132 -0.315 293 1HB SER 35 2HB SER 35 -14.147 17.136 -0.034 294 2HB SER 35 1HB SER 35 -15.661 16.231 0.002 295 HG SER 35 HG SER 35 -15.181 15.430 1.939 296 H GLU 36 H GLU 36 -12.178 15.332 -2.375 297 HA GLU 36 HA GLU 36 -13.575 16.599 -4.430 298 1HB GLU 36 2HB GLU 36 -11.197 14.746 -4.659 299 2HB GLU 36 1HB GLU 36 -11.752 15.842 -5.914 300 1HG GLU 36 2HG GLU 36 -10.678 16.612 -3.215 301 2HG GLU 36 1HG GLU 36 -9.852 16.777 -4.765 302 H THR 37 H THR 37 -12.991 13.163 -3.893 303 HA THR 37 HA THR 37 -15.263 12.502 -5.573 304 HB THR 37 HB THR 37 -13.403 12.545 -7.164 305 HG1 THR 37 HG1 THR 37 -14.339 9.932 -6.489 306 1HG2 THR 37 1HG2 THR 37 -11.517 10.976 -6.955 307 2HG2 THR 37 2HG2 THR 37 -12.089 10.530 -5.346 308 3HG2 THR 37 3HG2 THR 37 -11.540 12.176 -5.662 309 H TYR 38 H TYR 38 -15.101 12.418 -2.895 310 HA TYR 38 HA TYR 38 -13.910 10.191 -1.690 311 1HB TYR 38 2HB TYR 38 -14.434 12.052 -0.333 312 2HB TYR 38 1HB TYR 38 -16.117 12.057 -0.847 313 HD1 TYR 38 HD2 TYR 38 -13.627 10.126 1.128 314 HD2 TYR 38 HD1 TYR 38 -17.743 10.892 0.369 315 HE1 TYR 38 HE2 TYR 38 -14.236 8.783 3.097 316 HE2 TYR 38 HE1 TYR 38 -18.362 9.553 2.334 317 HH TYR 38 HH TYR 38 -16.114 8.565 4.669 318 H HIS 39 H HIS 39 -17.153 10.585 -3.076 319 HA HIS 39 HA HIS 39 -18.422 8.602 -1.571 320 1HB HIS 39 2HB HIS 39 -19.559 10.329 -3.010 321 2HB HIS 39 1HB HIS 39 -19.181 9.315 -4.401 322 HD1 HIS 39 HD1 HIS 39 -20.509 7.093 -4.659 323 HD2 HIS 39 HD2 HIS 39 -21.586 9.357 -1.337 324 HE1 HIS 39 HE1 HIS 39 -22.636 6.073 -3.802 325 HE2 HIS 39 HE2 HIS 39 -23.375 7.587 -1.935 326 H ASP 40 H ASP 40 -17.005 8.277 -4.851 327 HA ASP 40 HA ASP 40 -17.803 5.542 -5.005 328 1HB ASP 40 2HB ASP 40 -16.610 5.480 -7.107 329 2HB ASP 40 1HB ASP 40 -17.559 6.952 -7.013 330 H ILE 41 H ILE 41 -14.893 7.212 -4.020 331 HA ILE 41 HA ILE 41 -13.199 4.943 -3.941 332 HB ILE 41 HB ILE 41 -13.028 7.417 -2.213 333 1HG1 ILE 41 2HG1 ILE 41 -11.765 6.866 -4.906 334 2HG1 ILE 41 1HG1 ILE 41 -13.118 7.955 -4.626 335 1HG2 ILE 41 1HG2 ILE 41 -10.642 6.876 -2.090 336 2HG2 ILE 41 2HG2 ILE 41 -10.926 5.419 -3.043 337 3HG2 ILE 41 3HG2 ILE 41 -11.635 5.572 -1.436 338 1HD1 ILE 41 1HD1 ILE 41 -10.965 9.120 -4.859 339 2HD1 ILE 41 2HD1 ILE 41 -10.380 8.280 -3.423 340 3HD1 ILE 41 3HD1 ILE 41 -11.733 9.404 -3.298 341 H ALA 42 H ALA 42 -15.471 6.365 -1.670 342 HA ALA 42 HA ALA 42 -14.861 4.705 0.541 343 1HB ALA 42 1HB ALA 42 -17.472 6.057 -0.135 344 2HB ALA 42 2HB ALA 42 -16.130 6.797 0.739 345 3HB ALA 42 3HB ALA 42 -16.998 5.432 1.445 346 H VAL 43 H VAL 43 -16.806 4.269 -2.315 347 HA VAL 43 HA VAL 43 -18.169 1.927 -1.395 348 HB VAL 43 HB VAL 43 -17.714 2.881 -4.233 349 1HG1 VAL 43 1HG1 VAL 43 -19.674 0.873 -3.127 350 2HG1 VAL 43 2HG1 VAL 43 -18.293 0.527 -4.168 351 3HG1 VAL 43 3HG1 VAL 43 -19.649 1.471 -4.785 352 1HG2 VAL 43 1HG2 VAL 43 -20.038 3.733 -4.054 353 2HG2 VAL 43 2HG2 VAL 43 -18.905 4.557 -2.984 354 3HG2 VAL 43 3HG2 VAL 43 -20.010 3.347 -2.333 355 H LEU 44 H LEU 44 -15.152 2.604 -3.030 356 HA LEU 44 HA LEU 44 -14.586 -0.110 -3.711 357 1HB LEU 44 2HB LEU 44 -13.111 2.457 -3.771 358 2HB LEU 44 1HB LEU 44 -12.140 1.000 -3.666 359 HG LEU 44 HG LEU 44 -13.129 0.154 -5.731 360 1HD1 LEU 44 1HD1 LEU 44 -14.663 2.744 -5.791 361 2HD1 LEU 44 2HD1 LEU 44 -15.347 1.139 -5.536 362 3HD1 LEU 44 3HD1 LEU 44 -14.604 1.546 -7.084 363 1HD2 LEU 44 1HD2 LEU 44 -11.136 1.531 -5.887 364 2HD2 LEU 44 2HD2 LEU 44 -12.130 2.985 -5.973 365 3HD2 LEU 44 3HD2 LEU 44 -12.188 1.799 -7.277 366 H LEU 45 H LEU 45 -14.371 -1.586 -2.258 367 HA LEU 45 HA LEU 45 -13.028 -0.998 0.275 368 1HB LEU 45 2HB LEU 45 -15.380 -1.454 0.646 369 2HB LEU 45 1HB LEU 45 -15.293 -2.902 -0.337 370 HG LEU 45 HG LEU 45 -13.851 -3.970 1.329 371 1HD1 LEU 45 1HD1 LEU 45 -13.428 -2.917 3.473 372 2HD1 LEU 45 2HD1 LEU 45 -14.261 -1.457 2.941 373 3HD1 LEU 45 3HD1 LEU 45 -12.753 -1.944 2.166 374 1HD2 LEU 45 1HD2 LEU 45 -16.265 -4.254 1.508 375 2HD2 LEU 45 2HD2 LEU 45 -16.376 -2.793 2.489 376 3HD2 LEU 45 3HD2 LEU 45 -15.521 -4.207 3.107 377 H TYR 46 H TYR 46 -11.061 -1.572 -0.374 378 HA TYR 46 HA TYR 46 -9.252 -2.993 -0.546 379 1HB TYR 46 2HB TYR 46 -11.471 -4.959 -0.192 380 2HB TYR 46 1HB TYR 46 -9.996 -5.552 -0.920 381 HD1 TYR 46 HD1 TYR 46 -7.906 -5.462 0.337 382 HD2 TYR 46 HD2 TYR 46 -11.637 -4.559 2.137 383 HE1 TYR 46 HE1 TYR 46 -6.916 -5.854 2.561 384 HE2 TYR 46 HE2 TYR 46 -10.670 -4.941 4.365 385 HH TYR 46 HH TYR 46 -7.325 -5.250 4.896 386 H GLU 47 H GLU 47 -8.972 -5.230 -2.150 387 HA GLU 47 HA GLU 47 -10.423 -5.315 -4.512 388 1HB GLU 47 2HB GLU 47 -8.350 -3.304 -4.477 389 2HB GLU 47 1HB GLU 47 -7.998 -4.527 -5.690 390 1HG GLU 47 2HG GLU 47 -10.561 -2.961 -5.465 391 2HG GLU 47 1HG GLU 47 -9.262 -2.662 -6.623 392 H LYS 48 H LYS 48 -8.166 -6.064 -6.207 393 HA LYS 48 HA LYS 48 -7.702 -8.696 -5.037 394 1HB LYS 48 2HB LYS 48 -6.971 -9.263 -7.388 395 2HB LYS 48 1HB LYS 48 -8.645 -8.773 -7.209 396 1HG LYS 48 2HG LYS 48 -7.988 -6.487 -7.950 397 2HG LYS 48 1HG LYS 48 -6.376 -7.121 -8.292 398 1HD LYS 48 2HD LYS 48 -7.789 -7.055 -10.306 399 2HD LYS 48 1HD LYS 48 -7.308 -8.699 -9.887 400 1HE LYS 48 2HE LYS 48 -9.635 -8.698 -10.505 401 2HE LYS 48 1HE LYS 48 -9.496 -9.023 -8.780 402 1HZ LYS 48 1HZ LYS 48 -11.215 -7.486 -8.948 403 2HZ LYS 48 2HZ LYS 48 -10.424 -6.557 -10.118 404 3HZ LYS 48 3HZ LYS 48 -9.888 -6.521 -8.512 405 H THR 49 H THR 49 -5.328 -9.023 -6.943 406 HA THR 49 HA THR 49 -3.376 -8.361 -4.941 407 HB THR 49 HB THR 49 -1.762 -9.468 -6.505 408 HG1 THR 49 HG1 THR 49 -3.566 -8.995 -8.311 409 1HG2 THR 49 1HG2 THR 49 -4.257 -11.039 -5.850 410 2HG2 THR 49 2HG2 THR 49 -2.904 -10.744 -4.760 411 3HG2 THR 49 3HG2 THR 49 -2.671 -11.723 -6.207 412 H PHE 50 H PHE 50 -1.652 -6.972 -5.099 413 HA PHE 50 HA PHE 50 -1.594 -5.173 -7.435 414 1HB PHE 50 2HB PHE 50 -1.225 -4.392 -4.533 415 2HB PHE 50 1HB PHE 50 -0.965 -3.322 -5.906 416 HD1 PHE 50 HD1 PHE 50 -3.446 -5.049 -3.862 417 HD2 PHE 50 HD2 PHE 50 -2.823 -2.400 -7.133 418 HE1 PHE 50 HE1 PHE 50 -5.815 -4.416 -3.786 419 HE2 PHE 50 HE2 PHE 50 -5.196 -1.752 -7.063 420 HZ PHE 50 HZ PHE 50 -6.698 -2.757 -5.388 421 H ASN 51 H ASN 51 0.374 -4.951 -8.353 422 HA ASN 51 HA ASN 51 2.605 -6.280 -7.071 423 1HB ASN 51 2HB ASN 51 3.841 -5.561 -9.209 424 2HB ASN 51 1HB ASN 51 2.572 -6.766 -9.360 425 1HD2 ASN 51 1HD2 ASN 51 3.606 -3.580 -10.189 426 2HD2 ASN 51 2HD2 ASN 51 2.305 -3.226 -11.270 427 H VAL 52 H VAL 52 3.386 -5.221 -5.453 428 HA VAL 52 HA VAL 52 3.582 -2.367 -5.317 429 HB VAL 52 HB VAL 52 4.806 -4.473 -3.516 430 1HG1 VAL 52 1HG1 VAL 52 4.821 -2.687 -1.826 431 2HG1 VAL 52 2HG1 VAL 52 4.263 -1.546 -3.051 432 3HG1 VAL 52 3HG1 VAL 52 5.844 -2.312 -3.214 433 1HG2 VAL 52 1HG2 VAL 52 2.147 -3.064 -3.315 434 2HG2 VAL 52 2HG2 VAL 52 2.857 -4.076 -2.058 435 3HG2 VAL 52 3HG2 VAL 52 2.411 -4.782 -3.611 436 H GLU 53 H GLU 53 5.118 -1.256 -6.327 437 HA GLU 53 HA GLU 53 7.788 -2.471 -6.602 438 1HB GLU 53 2HB GLU 53 6.317 -0.697 -8.557 439 2HB GLU 53 1HB GLU 53 8.019 -1.109 -8.696 440 1HG GLU 53 2HG GLU 53 7.485 -3.434 -8.987 441 2HG GLU 53 1HG GLU 53 5.775 -3.111 -8.694 442 H VAL 54 H VAL 54 9.190 -1.554 -5.465 443 HA VAL 54 HA VAL 54 9.082 1.359 -5.153 444 HB VAL 54 HB VAL 54 8.666 0.397 -3.000 445 1HG1 VAL 54 1HG1 VAL 54 10.175 -1.172 -1.912 446 2HG1 VAL 54 2HG1 VAL 54 11.152 -1.251 -3.378 447 3HG1 VAL 54 3HG1 VAL 54 9.494 -1.855 -3.390 448 1HG2 VAL 54 1HG2 VAL 54 10.110 2.309 -3.002 449 2HG2 VAL 54 2HG2 VAL 54 11.519 1.278 -3.241 450 3HG2 VAL 54 3HG2 VAL 54 10.608 1.191 -1.733 451 HA PRO 55 HA PRO 55 12.730 0.833 -7.748 452 1HB PRO 55 2HB PRO 55 12.770 3.777 -7.486 453 2HB PRO 55 1HB PRO 55 12.742 2.776 -8.941 454 1HG PRO 55 2HG PRO 55 10.587 4.150 -8.137 455 2HG PRO 55 1HG PRO 55 10.446 2.561 -8.903 456 1HD PRO 55 2HD PRO 55 10.202 3.308 -6.029 457 2HD PRO 55 1HD PRO 55 9.291 2.106 -6.966 458 H GLU 56 H GLU 56 12.465 2.619 -4.760 459 HA GLU 56 HA GLU 56 15.142 3.362 -4.400 460 1HB GLU 56 2HB GLU 56 13.232 4.189 -3.035 461 2HB GLU 56 1HB GLU 56 13.137 2.614 -2.260 462 1HG GLU 56 2HG GLU 56 15.785 3.359 -1.951 463 2HG GLU 56 1HG GLU 56 14.884 4.854 -1.715 464 H ARG 57 H ARG 57 13.422 0.383 -3.639 465 HA ARG 57 HA ARG 57 15.967 -0.803 -2.739 466 1HB ARG 57 2HB ARG 57 13.199 -1.480 -1.713 467 2HB ARG 57 1HB ARG 57 14.724 -2.130 -1.122 468 1HG ARG 57 2HG ARG 57 15.388 0.048 -0.315 469 2HG ARG 57 1HG ARG 57 13.928 0.770 -0.989 470 1HD ARG 57 2HD ARG 57 12.606 -0.745 0.511 471 2HD ARG 57 1HD ARG 57 14.127 -1.203 1.276 472 HE ARG 57 HE ARG 57 13.549 1.649 1.167 473 1HH1 ARG 57 1HH1 ARG 57 13.471 -1.309 3.057 474 2HH1 ARG 57 2HH1 ARG 57 13.318 -0.488 4.583 475 1HH2 ARG 57 1HH2 ARG 57 13.353 2.728 3.185 476 2HH2 ARG 57 2HH2 ARG 57 13.287 1.800 4.651 477 H ASP 58 H ASP 58 14.379 -0.704 -5.324 478 HA ASP 58 HA ASP 58 13.629 -2.028 -7.012 479 1HB ASP 58 2HB ASP 58 15.271 -3.615 -7.798 480 2HB ASP 58 1HB ASP 58 16.087 -2.202 -7.150 481 H LEU 59 H LEU 59 12.169 -2.584 -4.709 482 HA LEU 59 HA LEU 59 11.968 -5.494 -4.557 483 1HB LEU 59 2HB LEU 59 11.745 -3.597 -2.631 484 2HB LEU 59 1HB LEU 59 10.061 -3.782 -3.074 485 HG LEU 59 HG LEU 59 11.866 -6.000 -2.102 486 1HD1 LEU 59 1HD1 LEU 59 10.433 -5.946 -0.107 487 2HD1 LEU 59 2HD1 LEU 59 9.617 -4.523 -0.750 488 3HD1 LEU 59 3HD1 LEU 59 11.328 -4.443 -0.334 489 1HD2 LEU 59 1HD2 LEU 59 10.196 -6.859 -3.636 490 2HD2 LEU 59 2HD2 LEU 59 8.924 -6.006 -2.765 491 3HD2 LEU 59 3HD2 LEU 59 9.796 -7.325 -1.983 492 H ALA 60 H ALA 60 10.761 -6.444 -6.047 493 HA ALA 60 HA ALA 60 8.247 -5.153 -6.861 494 1HB ALA 60 1HB ALA 60 9.858 -7.227 -8.351 495 2HB ALA 60 2HB ALA 60 9.789 -5.504 -8.731 496 3HB ALA 60 3HB ALA 60 8.346 -6.501 -8.896 497 H PHE 61 H PHE 61 6.779 -5.934 -5.456 498 HA PHE 61 HA PHE 61 6.544 -8.856 -5.218 499 1HB PHE 61 2HB PHE 61 7.712 -8.026 -3.233 500 2HB PHE 61 1HB PHE 61 6.417 -6.880 -2.944 501 HD1 PHE 61 HD2 PHE 61 7.269 -10.466 -2.995 502 HD2 PHE 61 HD1 PHE 61 4.472 -7.499 -1.770 503 HE1 PHE 61 HE2 PHE 61 6.135 -12.123 -1.578 504 HE2 PHE 61 HE1 PHE 61 3.332 -9.153 -0.347 505 HZ PHE 61 HZ PHE 61 4.163 -11.471 -0.252 506 H ARG 62 H ARG 62 4.582 -9.492 -5.671 507 HA ARG 62 HA ARG 62 2.437 -7.503 -5.733 508 1HB ARG 62 2HB ARG 62 2.771 -8.736 -7.824 509 2HB ARG 62 1HB ARG 62 2.525 -10.262 -6.980 510 1HG ARG 62 2HG ARG 62 0.241 -9.778 -6.579 511 2HG ARG 62 1HG ARG 62 0.440 -8.099 -7.079 512 1HD ARG 62 2HD ARG 62 -0.690 -9.434 -8.792 513 2HD ARG 62 1HD ARG 62 0.852 -8.807 -9.364 514 HE ARG 62 HE ARG 62 1.768 -11.014 -9.170 515 1HH1 ARG 62 1HH1 ARG 62 -1.715 -10.835 -8.742 516 2HH1 ARG 62 2HH1 ARG 62 -1.962 -12.508 -9.129 517 1HH2 ARG 62 1HH2 ARG 62 1.419 -13.209 -9.691 518 2HH2 ARG 62 2HH2 ARG 62 -0.198 -13.854 -9.660 519 H GLY 63 H GLY 63 1.669 -7.353 -3.733 520 1HA GLY 63 2HA GLY 63 1.223 -9.696 -2.090 521 2HA GLY 63 1HA GLY 63 0.899 -8.024 -1.645 522 H GLU 64 H GLU 64 -0.984 -9.644 -0.853 523 HA GLU 64 HA GLU 64 -3.103 -9.397 -2.874 524 1HB GLU 64 2HB GLU 64 -4.090 -11.484 -1.989 525 2HB GLU 64 1HB GLU 64 -2.509 -11.732 -2.710 526 1HG GLU 64 2HG GLU 64 -2.239 -12.979 -0.841 527 2HG GLU 64 1HG GLU 64 -1.729 -11.423 -0.196 528 H MET 65 H MET 65 -5.262 -9.202 -2.005 529 HA MET 65 HA MET 65 -5.297 -8.103 0.714 530 1HB MET 65 2HB MET 65 -7.055 -7.602 -1.678 531 2HB MET 65 1HB MET 65 -7.513 -7.108 -0.054 532 1HG MET 65 2HG MET 65 -5.491 -5.735 0.086 533 2HG MET 65 1HG MET 65 -5.068 -6.213 -1.559 534 1HE MET 65 1HE MET 65 -6.371 -2.390 -1.566 535 2HE MET 65 2HE MET 65 -4.939 -3.393 -1.798 536 3HE MET 65 3HE MET 65 -5.636 -3.205 -0.187 537 H THR 66 H THR 66 -5.508 -10.079 1.771 538 HA THR 66 HA THR 66 -7.502 -11.979 1.155 539 HB THR 66 HB THR 66 -5.619 -12.741 2.374 540 HG1 THR 66 HG1 THR 66 -8.090 -12.838 3.614 541 1HG2 THR 66 1HG2 THR 66 -5.039 -11.902 4.615 542 2HG2 THR 66 2HG2 THR 66 -6.306 -10.684 4.475 543 3HG2 THR 66 3HG2 THR 66 -4.921 -10.648 3.379 544 H ASN 67 H ASN 67 -7.846 -8.937 2.365 545 HA ASN 67 HA ASN 67 -9.602 -7.762 3.143 546 1HB ASN 67 2HB ASN 67 -11.124 -10.327 2.665 547 2HB ASN 67 1HB ASN 67 -11.879 -8.818 3.160 548 1HD2 ASN 67 1HD2 ASN 67 -10.405 -10.569 0.581 549 2HD2 ASN 67 2HD2 ASN 67 -10.770 -9.442 -0.682 550 H TYR 68 H TYR 68 -9.024 -7.271 5.195 551 HA TYR 68 HA TYR 68 -9.593 -9.241 7.289 552 1HB TYR 68 2HB TYR 68 -7.353 -8.163 7.272 553 2HB TYR 68 1HB TYR 68 -8.130 -6.601 7.512 554 HD1 TYR 68 HD2 TYR 68 -7.367 -9.847 9.073 555 HD2 TYR 68 HD1 TYR 68 -8.967 -5.948 9.677 556 HE1 TYR 68 HE2 TYR 68 -7.336 -10.215 11.503 557 HE2 TYR 68 HE1 TYR 68 -8.938 -6.310 12.107 558 HH TYR 68 HH TYR 68 -9.015 -8.347 13.656 559 H SER 69 H SER 69 -10.249 -5.834 6.484 560 HA SER 69 HA SER 69 -12.596 -5.983 8.251 561 1HB SER 69 2HB SER 69 -10.816 -4.638 9.303 562 2HB SER 69 1HB SER 69 -10.759 -3.601 7.880 563 HG SER 69 HG SER 69 -12.731 -3.807 9.875 564 H THR 70 H THR 70 -14.077 -3.986 7.739 565 HA THR 70 HA THR 70 -14.410 -3.910 4.816 566 HB THR 70 HB THR 70 -16.861 -3.461 5.403 567 HG1 THR 70 HG1 THR 70 -17.131 -3.175 7.499 568 1HG2 THR 70 1HG2 THR 70 -15.699 -6.145 6.168 569 2HG2 THR 70 2HG2 THR 70 -16.058 -5.620 4.524 570 3HG2 THR 70 3HG2 THR 70 -17.367 -5.834 5.686 571 H SER 71 H SER 71 -12.941 -2.044 6.712 572 HA SER 71 HA SER 71 -14.438 0.406 6.055 573 1HB SER 71 2HB SER 71 -14.207 -0.024 8.489 574 2HB SER 71 1HB SER 71 -12.453 -0.008 8.307 575 HG SER 71 HG SER 71 -12.712 2.171 7.475 576 H LEU 72 H LEU 72 -12.388 -1.119 4.436 577 HA LEU 72 HA LEU 72 -10.202 0.818 4.432 578 1HB LEU 72 2HB LEU 72 -10.435 -1.927 3.237 579 2HB LEU 72 1HB LEU 72 -9.127 -0.834 2.826 580 HG LEU 72 HG LEU 72 -8.714 -0.717 5.380 581 1HD1 LEU 72 1HD1 LEU 72 -10.764 -1.834 6.056 582 2HD1 LEU 72 2HD1 LEU 72 -9.338 -2.711 6.611 583 3HD1 LEU 72 3HD1 LEU 72 -10.250 -3.300 5.221 584 1HD2 LEU 72 1HD2 LEU 72 -7.259 -2.674 5.264 585 2HD2 LEU 72 2HD2 LEU 72 -7.175 -1.708 3.791 586 3HD2 LEU 72 3HD2 LEU 72 -8.097 -3.212 3.810 587 H THR 73 H THR 73 -11.292 2.484 3.493 588 HA THR 73 HA THR 73 -12.379 2.520 0.892 589 HB THR 73 HB THR 73 -11.312 4.523 2.841 590 HG1 THR 73 HG1 THR 73 -13.802 3.797 1.759 591 1HG2 THR 73 1HG2 THR 73 -12.245 5.263 0.072 592 2HG2 THR 73 2HG2 THR 73 -10.602 5.428 0.700 593 3HG2 THR 73 3HG2 THR 73 -11.909 6.381 1.402 594 H ASN 74 H ASN 74 -11.333 2.228 -1.009 595 HA ASN 74 HA ASN 74 -8.377 2.306 -0.929 596 1HB ASN 74 2HB ASN 74 -9.363 0.025 -0.761 597 2HB ASN 74 1HB ASN 74 -10.127 0.269 -2.325 598 1HD2 ASN 74 1HD2 ASN 74 -9.059 -1.460 -3.253 599 2HD2 ASN 74 2HD2 ASN 74 -7.368 -1.418 -3.619 600 H LEU 75 H LEU 75 -7.249 2.693 -2.830 601 HA LEU 75 HA LEU 75 -6.751 3.303 -4.955 602 1HB LEU 75 2HB LEU 75 -9.475 2.328 -5.260 603 2HB LEU 75 1HB LEU 75 -9.084 3.599 -6.401 604 HG LEU 75 HG LEU 75 -8.678 1.410 -7.374 605 1HD1 LEU 75 1HD1 LEU 75 -6.351 1.728 -8.073 606 2HD1 LEU 75 2HD1 LEU 75 -6.135 2.909 -6.782 607 3HD1 LEU 75 3HD1 LEU 75 -7.263 3.238 -8.095 608 1HD2 LEU 75 1HD2 LEU 75 -8.231 0.161 -5.333 609 2HD2 LEU 75 2HD2 LEU 75 -6.706 1.020 -5.130 610 3HD2 LEU 75 3HD2 LEU 75 -6.933 -0.059 -6.505 611 H TYR 76 H TYR 76 -6.902 5.081 -6.458 612 HA TYR 76 HA TYR 76 -7.236 7.183 -7.165 613 1HB TYR 76 2HB TYR 76 -9.557 7.151 -5.242 614 2HB TYR 76 1HB TYR 76 -9.194 8.490 -6.324 615 HD1 TYR 76 HD2 TYR 76 -9.207 8.038 -8.835 616 HD2 TYR 76 HD1 TYR 76 -10.804 5.303 -5.989 617 HE1 TYR 76 HE2 TYR 76 -10.514 6.955 -10.614 618 HE2 TYR 76 HE1 TYR 76 -12.113 4.217 -7.763 619 HH TYR 76 HH TYR 76 -11.576 4.805 -11.076 620 H GLU 77 H GLU 77 -5.611 8.409 -6.699 621 HA GLU 77 HA GLU 77 -5.119 9.366 -3.992 622 1HB GLU 77 2HB GLU 77 -3.336 8.591 -5.719 623 2HB GLU 77 1HB GLU 77 -3.583 10.159 -6.465 624 1HG GLU 77 2HG GLU 77 -2.835 9.862 -3.577 625 2HG GLU 77 1HG GLU 77 -1.634 9.920 -4.863 626 HA PRO 78 HA PRO 78 -7.546 12.914 -5.408 627 1HB PRO 78 2HB PRO 78 -9.137 13.038 -3.256 628 2HB PRO 78 1HB PRO 78 -9.298 11.753 -4.457 629 1HG PRO 78 2HG PRO 78 -8.302 11.608 -1.698 630 2HG PRO 78 1HG PRO 78 -8.858 10.304 -2.759 631 1HD PRO 78 2HD PRO 78 -6.131 11.197 -2.216 632 2HD PRO 78 1HD PRO 78 -6.683 9.730 -3.054 633 H GLY 79 H GLY 79 -5.084 12.894 -3.206 634 1HA GLY 79 2HA GLY 79 -4.123 15.137 -2.721 635 2HA GLY 79 1HA GLY 79 -5.740 15.608 -2.218 636 H ALA 80 H ALA 80 -5.649 15.931 -0.064 637 HA ALA 80 HA ALA 80 -4.844 13.679 1.609 638 1HB ALA 80 1HB ALA 80 -3.364 15.056 2.989 639 2HB ALA 80 2HB ALA 80 -3.600 16.412 1.886 640 3HB ALA 80 3HB ALA 80 -2.788 14.952 1.325 641 H VAL 81 H VAL 81 -6.912 13.445 2.487 642 HA VAL 81 HA VAL 81 -7.637 15.549 4.382 643 HB VAL 81 HB VAL 81 -9.619 14.394 2.436 644 1HG1 VAL 81 1HG1 VAL 81 -10.149 16.099 4.873 645 2HG1 VAL 81 2HG1 VAL 81 -10.560 14.391 4.709 646 3HG1 VAL 81 3HG1 VAL 81 -11.346 15.591 3.679 647 1HG2 VAL 81 1HG2 VAL 81 -8.314 16.334 1.693 648 2HG2 VAL 81 2HG2 VAL 81 -8.855 17.223 3.117 649 3HG2 VAL 81 3HG2 VAL 81 -10.024 16.723 1.893 650 H SER 82 H SER 82 -9.520 12.687 3.493 651 HA SER 82 HA SER 82 -9.905 12.167 6.289 652 1HB SER 82 2HB SER 82 -11.112 11.145 3.746 653 2HB SER 82 1HB SER 82 -11.409 10.276 5.248 654 HG SER 82 HG SER 82 -12.248 12.228 6.116 655 H GLU 83 H GLU 83 -8.294 11.113 7.305 656 HA GLU 83 HA GLU 83 -6.486 9.352 6.114 657 1HB GLU 83 2HB GLU 83 -7.261 9.653 9.013 658 2HB GLU 83 1HB GLU 83 -5.923 8.660 8.456 659 1HG GLU 83 2HG GLU 83 -4.937 10.700 7.420 660 2HG GLU 83 1HG GLU 83 -6.211 11.639 8.195 661 H PHE 84 H PHE 84 -7.328 7.716 4.981 662 HA PHE 84 HA PHE 84 -8.862 5.671 6.409 663 1HB PHE 84 2HB PHE 84 -8.393 6.283 3.513 664 2HB PHE 84 1HB PHE 84 -8.918 4.675 4.006 665 HD1 PHE 84 HD2 PHE 84 -11.003 4.594 5.560 666 HD2 PHE 84 HD1 PHE 84 -9.965 7.933 3.138 667 HE1 PHE 84 HE2 PHE 84 -13.322 5.405 5.693 668 HE2 PHE 84 HE1 PHE 84 -12.281 8.752 3.269 669 HZ PHE 84 HZ PHE 84 -13.962 7.486 4.547 670 H TYR 85 H TYR 85 -8.073 3.372 5.214 671 HA TYR 85 HA TYR 85 -5.198 3.271 5.211 672 1HB TYR 85 2HB TYR 85 -4.972 1.654 6.999 673 2HB TYR 85 1HB TYR 85 -5.710 3.135 7.605 674 HD1 TYR 85 HD2 TYR 85 -8.331 3.139 7.577 675 HD2 TYR 85 HD1 TYR 85 -5.920 -0.353 7.560 676 HE1 TYR 85 HE2 TYR 85 -10.213 1.850 8.436 677 HE2 TYR 85 HE1 TYR 85 -7.792 -1.664 8.421 678 HH TYR 85 HH TYR 85 -9.884 -1.334 9.661 679 H ILE 86 H ILE 86 -4.447 1.795 3.897 680 HA ILE 86 HA ILE 86 -6.242 -0.400 3.004 681 HB ILE 86 HB ILE 86 -4.097 1.059 1.436 682 1HG1 ILE 86 2HG1 ILE 86 -6.074 2.417 1.627 683 2HG1 ILE 86 1HG1 ILE 86 -6.044 1.719 0.008 684 1HG2 ILE 86 1HG2 ILE 86 -4.814 -0.317 -0.448 685 2HG2 ILE 86 2HG2 ILE 86 -5.934 -1.180 0.604 686 3HG2 ILE 86 3HG2 ILE 86 -4.197 -1.312 0.871 687 1HD1 ILE 86 1HD1 ILE 86 -8.270 1.630 0.932 688 2HD1 ILE 86 2HD1 ILE 86 -7.676 0.743 2.334 689 3HD1 ILE 86 3HD1 ILE 86 -7.625 0.001 0.734 690 H GLU 87 H GLU 87 -5.500 -2.288 3.738 691 HA GLU 87 HA GLU 87 -2.635 -2.506 4.327 692 1HB GLU 87 2HB GLU 87 -4.042 -2.587 6.342 693 2HB GLU 87 1HB GLU 87 -4.931 -3.943 5.664 694 1HG GLU 87 2HG GLU 87 -2.959 -5.325 5.727 695 2HG GLU 87 1HG GLU 87 -1.985 -3.965 6.280 696 H ILE 88 H ILE 88 -1.576 -3.757 3.025 697 HA ILE 88 HA ILE 88 -2.941 -6.065 1.813 698 HB ILE 88 HB ILE 88 -0.471 -4.568 0.918 699 1HG1 ILE 88 2HG1 ILE 88 -1.878 -4.467 -1.241 700 2HG1 ILE 88 1HG1 ILE 88 -3.236 -4.920 -0.219 701 1HG2 ILE 88 1HG2 ILE 88 -1.601 -7.140 -0.162 702 2HG2 ILE 88 2HG2 ILE 88 -0.034 -6.909 0.611 703 3HG2 ILE 88 3HG2 ILE 88 -0.359 -6.170 -0.956 704 1HD1 ILE 88 1HD1 ILE 88 -3.139 -2.523 -0.571 705 2HD1 ILE 88 2HD1 ILE 88 -1.520 -2.478 0.129 706 3HD1 ILE 88 3HD1 ILE 88 -2.902 -2.933 1.127 707 H THR 89 H THR 89 -2.334 -8.030 2.420 708 HA THR 89 HA THR 89 -0.119 -8.238 4.322 709 HB THR 89 HB THR 89 -2.237 -10.302 3.649 710 HG1 THR 89 HG1 THR 89 -2.804 -8.124 4.703 711 1HG2 THR 89 1HG2 THR 89 -0.372 -10.063 6.016 712 2HG2 THR 89 2HG2 THR 89 -0.187 -11.203 4.685 713 3HG2 THR 89 3HG2 THR 89 -1.576 -11.328 5.763 714 H GLU 90 H GLU 90 1.547 -9.731 4.002 715 HA GLU 90 HA GLU 90 2.615 -10.228 1.543 716 1HB GLU 90 2HB GLU 90 3.821 -10.595 3.616 717 2HB GLU 90 1HB GLU 90 2.759 -11.931 4.030 718 1HG GLU 90 2HG GLU 90 3.593 -13.141 2.037 719 2HG GLU 90 1HG GLU 90 4.747 -11.829 1.781 720 H ILE 91 H ILE 91 1.933 -11.356 -0.151 721 HA ILE 91 HA ILE 91 -0.320 -12.999 -0.153 722 HB ILE 91 HB ILE 91 0.434 -11.984 -2.208 723 1HG1 ILE 91 2HG1 ILE 91 0.533 -15.005 -2.240 724 2HG1 ILE 91 1HG1 ILE 91 -0.885 -13.985 -2.449 725 1HG2 ILE 91 1HG2 ILE 91 2.829 -11.998 -1.861 726 2HG2 ILE 91 2HG2 ILE 91 2.442 -12.788 -3.390 727 3HG2 ILE 91 3HG2 ILE 91 2.860 -13.757 -1.977 728 1HD1 ILE 91 1HD1 ILE 91 0.018 -13.160 -4.556 729 2HD1 ILE 91 2HD1 ILE 91 -0.156 -14.916 -4.557 730 3HD1 ILE 91 3HD1 ILE 91 1.436 -14.188 -4.345 731 H ASP 92 H ASP 92 -0.636 -15.015 0.414 732 HA ASP 92 HA ASP 92 1.705 -16.706 0.916 733 1HB ASP 92 2HB ASP 92 -1.107 -16.859 2.022 734 2HB ASP 92 1HB ASP 92 0.115 -18.093 2.293 735 H LYS 93 H LYS 93 0.700 -19.160 0.877 736 HA LYS 93 HA LYS 93 0.374 -19.636 -1.931 737 1HB LYS 93 2HB LYS 93 1.787 -20.990 -0.317 738 2HB LYS 93 1HB LYS 93 0.285 -21.634 0.324 739 1HG LYS 93 2HG LYS 93 -0.212 -22.736 -1.718 740 2HG LYS 93 1HG LYS 93 1.100 -21.902 -2.557 741 1HD LYS 93 2HD LYS 93 2.738 -23.028 -1.166 742 2HD LYS 93 1HD LYS 93 1.451 -23.817 -0.255 743 1HE LYS 93 2HE LYS 93 0.773 -25.069 -2.189 744 2HE LYS 93 1HE LYS 93 1.895 -24.172 -3.214 745 1HZ LYS 93 1HZ LYS 93 3.735 -25.160 -2.130 746 2HZ LYS 93 2HZ LYS 93 2.675 -26.422 -2.512 747 3HZ LYS 93 3HZ LYS 93 2.769 -25.846 -0.920 748 H ASN 94 H ASN 94 -1.720 -18.466 -0.052 749 HA ASN 94 HA ASN 94 -3.967 -20.247 -0.220 750 1HB ASN 94 2HB ASN 94 -3.735 -18.626 1.629 751 2HB ASN 94 1HB ASN 94 -3.852 -17.302 0.474 752 1HD2 ASN 94 1HD2 ASN 94 -5.684 -16.415 1.333 753 2HD2 ASN 94 2HD2 ASN 94 -7.239 -17.187 1.249 754 H ALA 95 H ALA 95 -2.835 -17.378 -1.936 755 HA ALA 95 HA ALA 95 -5.178 -17.213 -3.596 756 1HB ALA 95 1HB ALA 95 -3.918 -15.199 -2.994 757 2HB ALA 95 2HB ALA 95 -4.003 -15.407 -4.742 758 3HB ALA 95 3HB ALA 95 -2.519 -15.808 -3.878 759 H ASP 96 H ASP 96 -1.823 -17.358 -4.733 760 HA ASP 96 HA ASP 96 -2.457 -19.756 -6.296 761 1HB ASP 96 2HB ASP 96 -1.192 -17.238 -7.399 762 2HB ASP 96 1HB ASP 96 -1.114 -18.792 -8.210 763 H SER 97 H SER 97 -0.376 -20.684 -7.221 764 HA SER 97 HA SER 97 1.986 -19.957 -5.676 765 1HB SER 97 2HB SER 97 0.893 -21.792 -4.418 766 2HB SER 97 1HB SER 97 0.960 -22.800 -5.864 767 HG SER 97 HG SER 97 3.317 -22.387 -5.762 768 H LEU 98 H LEU 98 0.906 -19.903 -8.486 769 HA LEU 98 HA LEU 98 2.906 -21.559 -9.827 770 1HB LEU 98 2HB LEU 98 0.557 -21.716 -10.594 771 2HB LEU 98 1HB LEU 98 0.596 -20.013 -11.005 772 HG LEU 98 HG LEU 98 2.277 -20.429 -12.721 773 1HD1 LEU 98 1HD1 LEU 98 3.457 -22.279 -11.660 774 2HD1 LEU 98 2HD1 LEU 98 2.947 -22.712 -13.289 775 3HD1 LEU 98 3HD1 LEU 98 2.058 -23.326 -11.897 776 1HD2 LEU 98 1HD2 LEU 98 -0.066 -20.603 -13.345 777 2HD2 LEU 98 2HD2 LEU 98 -0.075 -22.309 -12.896 778 3HD2 LEU 98 3HD2 LEU 98 0.904 -21.760 -14.255 779 H GLU 99 H GLU 99 4.775 -20.472 -9.663 780 HA GLU 99 HA GLU 99 4.974 -17.639 -9.875 781 1HB GLU 99 2HB GLU 99 6.993 -19.858 -9.797 782 2HB GLU 99 1HB GLU 99 7.481 -18.198 -10.095 783 1HG GLU 99 2HG GLU 99 6.261 -17.630 -7.931 784 2HG GLU 99 1HG GLU 99 6.252 -19.369 -7.630 785 H HIS 100 H HIS 100 4.429 -16.740 -11.769 786 HA HIS 100 HA HIS 100 5.696 -17.712 -14.214 787 1HB HIS 100 2HB HIS 100 3.647 -15.558 -13.677 788 2HB HIS 100 1HB HIS 100 4.433 -15.732 -15.242 789 HD1 HIS 100 HD1 HIS 100 4.280 -18.592 -15.900 790 HD2 HIS 100 HD2 HIS 100 1.199 -16.668 -13.871 791 HE1 HIS 100 HE1 HIS 100 2.225 -19.979 -16.313 792 HE2 HIS 100 HE2 HIS 100 0.343 -18.696 -15.244 793 H HIS 101 H HIS 101 7.561 -16.995 -12.441 794 HA HIS 101 HA HIS 101 8.231 -14.253 -12.408 795 1HB HIS 101 2HB HIS 101 10.544 -15.116 -11.696 796 2HB HIS 101 1HB HIS 101 9.179 -15.460 -10.648 797 HD1 HIS 101 HD1 HIS 101 9.481 -17.691 -9.648 798 HD2 HIS 101 HD2 HIS 101 10.766 -17.609 -13.611 799 HE1 HIS 101 HE1 HIS 101 10.248 -20.028 -10.169 800 HE2 HIS 101 HE2 HIS 101 11.182 -19.915 -12.507 801 H HIS 102 H HIS 102 8.348 -13.296 -14.341 802 HA HIS 102 HA HIS 102 10.512 -14.193 -16.127 803 1HB HIS 102 2HB HIS 102 7.915 -12.852 -16.922 804 2HB HIS 102 1HB HIS 102 9.238 -13.222 -18.016 805 HD1 HIS 102 HD1 HIS 102 6.073 -14.444 -17.114 806 HD2 HIS 102 HD2 HIS 102 9.750 -16.241 -17.863 807 HE1 HIS 102 HE1 HIS 102 5.556 -16.837 -17.680 808 HE2 HIS 102 HE2 HIS 102 7.762 -17.819 -18.387 809 H HIS 103 H HIS 103 12.146 -12.794 -15.753 810 HA HIS 103 HA HIS 103 11.475 -9.975 -16.172 811 1HB HIS 103 2HB HIS 103 13.019 -9.209 -14.465 812 2HB HIS 103 1HB HIS 103 11.818 -10.264 -13.744 813 HD1 HIS 103 HD1 HIS 103 15.374 -9.664 -13.854 814 HD2 HIS 103 HD2 HIS 103 12.930 -12.982 -13.254 815 HE1 HIS 103 HE1 HIS 103 16.826 -11.387 -12.733 816 HE2 HIS 103 HE2 HIS 103 15.293 -13.332 -12.255 817 H HIS 104 H HIS 104 12.432 -9.298 -17.911 818 HA HIS 104 HA HIS 104 14.789 -10.632 -18.950 819 1HB HIS 104 2HB HIS 104 12.856 -9.899 -20.397 820 2HB HIS 104 1HB HIS 104 13.312 -8.233 -20.071 821 HD1 HIS 104 HD1 HIS 104 14.990 -7.215 -21.605 822 HD2 HIS 104 HD2 HIS 104 14.924 -11.371 -21.863 823 HE1 HIS 104 HE1 HIS 104 16.487 -7.801 -23.541 824 HE2 HIS 104 HE2 HIS 104 16.439 -10.318 -23.682 825 H HIS 105 H HIS 105 14.480 -8.699 -16.539 826 HA HIS 105 HA HIS 105 16.972 -7.260 -17.030 827 1HB HIS 105 2HB HIS 105 15.085 -5.665 -17.350 828 2HB HIS 105 1HB HIS 105 14.525 -6.036 -15.723 829 HD1 HIS 105 HD1 HIS 105 15.630 -4.828 -13.801 830 HD2 HIS 105 HD2 HIS 105 17.544 -4.201 -17.441 831 HE1 HIS 105 HE1 HIS 105 17.287 -2.980 -13.388 832 HE2 HIS 105 HE2 HIS 105 18.568 -2.760 -15.551 Start of MODEL 10 1 1H MET 1 1H MET 1 7.422 8.122 7.144 2 2H MET 1 2H MET 1 6.089 7.767 6.171 3 3H MET 1 3H MET 1 7.442 8.534 5.504 4 HA MET 1 HA MET 1 8.788 6.585 5.953 5 1HB MET 1 2HB MET 1 6.144 5.476 6.904 6 2HB MET 1 1HB MET 1 7.524 4.463 6.500 7 1HG MET 1 2HG MET 1 8.845 5.612 8.226 8 2HG MET 1 1HG MET 1 7.431 6.573 8.648 9 1HE MET 1 1HE MET 1 5.016 3.974 10.212 10 2HE MET 1 2HE MET 1 5.020 4.648 8.583 11 3HE MET 1 3HE MET 1 5.358 5.687 9.968 12 H VAL 2 H VAL 2 9.299 5.754 4.071 13 HA VAL 2 HA VAL 2 9.242 5.077 1.918 14 HB VAL 2 HB VAL 2 6.297 4.598 2.422 15 1HG1 VAL 2 1HG1 VAL 2 7.993 3.691 0.094 16 2HG1 VAL 2 2HG1 VAL 2 6.735 4.925 0.026 17 3HG1 VAL 2 3HG1 VAL 2 6.311 3.252 0.390 18 1HG2 VAL 2 1HG2 VAL 2 8.683 2.755 2.381 19 2HG2 VAL 2 2HG2 VAL 2 7.004 2.227 2.505 20 3HG2 VAL 2 3HG2 VAL 2 7.719 3.207 3.787 21 H LYS 3 H LYS 3 9.234 6.129 0.003 22 HA LYS 3 HA LYS 3 7.584 8.568 -0.137 23 1HB LYS 3 2HB LYS 3 9.820 9.271 0.310 24 2HB LYS 3 1HB LYS 3 10.475 8.181 -0.906 25 1HG LYS 3 2HG LYS 3 9.398 9.487 -2.661 26 2HG LYS 3 1HG LYS 3 8.730 10.573 -1.443 27 1HD LYS 3 2HD LYS 3 10.935 11.299 -0.812 28 2HD LYS 3 1HD LYS 3 11.675 10.110 -1.891 29 1HE LYS 3 2HE LYS 3 11.659 12.371 -2.859 30 2HE LYS 3 1HE LYS 3 10.730 11.224 -3.821 31 1HZ LYS 3 1HZ LYS 3 9.694 13.334 -2.013 32 2HZ LYS 3 2HZ LYS 3 8.719 12.085 -2.611 33 3HZ LYS 3 3HZ LYS 3 9.442 13.173 -3.682 34 H THR 4 H THR 4 9.326 6.143 -2.065 35 HA THR 4 HA THR 4 7.676 6.969 -4.366 36 HB THR 4 HB THR 4 10.203 5.323 -4.495 37 HG1 THR 4 HG1 THR 4 10.220 7.671 -3.627 38 1HG2 THR 4 1HG2 THR 4 8.737 6.977 -6.558 39 2HG2 THR 4 2HG2 THR 4 8.712 5.217 -6.450 40 3HG2 THR 4 3HG2 THR 4 10.216 6.054 -6.828 41 H LEU 5 H LEU 5 5.861 5.749 -3.982 42 HA LEU 5 HA LEU 5 6.258 2.857 -4.350 43 1HB LEU 5 2HB LEU 5 5.600 3.352 -2.023 44 2HB LEU 5 1HB LEU 5 4.156 4.154 -2.612 45 HG LEU 5 HG LEU 5 3.433 1.979 -3.616 46 1HD1 LEU 5 1HD1 LEU 5 5.623 0.924 -3.795 47 2HD1 LEU 5 2HD1 LEU 5 4.518 -0.068 -2.843 48 3HD1 LEU 5 3HD1 LEU 5 5.759 0.890 -2.037 49 1HD2 LEU 5 1HD2 LEU 5 2.570 2.757 -1.471 50 2HD2 LEU 5 2HD2 LEU 5 3.917 1.975 -0.642 51 3HD2 LEU 5 3HD2 LEU 5 2.727 1.000 -1.503 52 H ARG 6 H ARG 6 5.011 1.890 -5.845 53 HA ARG 6 HA ARG 6 2.570 3.186 -6.771 54 1HB ARG 6 2HB ARG 6 3.263 2.621 -9.166 55 2HB ARG 6 1HB ARG 6 3.986 4.040 -8.426 56 1HG ARG 6 2HG ARG 6 6.036 2.867 -8.037 57 2HG ARG 6 1HG ARG 6 5.320 1.348 -8.582 58 1HD ARG 6 2HD ARG 6 5.096 2.170 -10.810 59 2HD ARG 6 1HD ARG 6 5.548 3.799 -10.312 60 HE ARG 6 HE ARG 6 7.739 3.208 -10.481 61 1HH1 ARG 6 1HH1 ARG 6 5.832 0.266 -10.246 62 2HH1 ARG 6 2HH1 ARG 6 7.187 -0.780 -10.577 63 1HH2 ARG 6 1HH2 ARG 6 9.506 1.820 -10.951 64 2HH2 ARG 6 2HH2 ARG 6 9.244 0.099 -10.992 65 H LEU 7 H LEU 7 0.992 1.775 -7.294 66 HA LEU 7 HA LEU 7 1.620 -1.044 -6.773 67 1HB LEU 7 2HB LEU 7 -1.036 0.392 -6.747 68 2HB LEU 7 1HB LEU 7 -0.793 -1.300 -6.361 69 HG LEU 7 HG LEU 7 0.313 1.037 -4.797 70 1HD1 LEU 7 1HD1 LEU 7 -2.100 0.798 -4.549 71 2HD1 LEU 7 2HD1 LEU 7 -1.265 0.329 -3.067 72 3HD1 LEU 7 3HD1 LEU 7 -1.900 -0.909 -4.150 73 1HD2 LEU 7 1HD2 LEU 7 1.784 -0.928 -4.748 74 2HD2 LEU 7 2HD2 LEU 7 0.429 -1.922 -4.211 75 3HD2 LEU 7 3HD2 LEU 7 1.034 -0.626 -3.181 76 H ASN 8 H ASN 8 1.720 -2.389 -8.389 77 HA ASN 8 HA ASN 8 1.398 -3.448 -10.370 78 1HB ASN 8 2HB ASN 8 -1.035 -1.667 -10.537 79 2HB ASN 8 1HB ASN 8 -0.627 -2.848 -11.774 80 1HD2 ASN 8 1HD2 ASN 8 -2.419 -4.093 -11.487 81 2HD2 ASN 8 2HD2 ASN 8 -2.705 -5.035 -10.061 82 H ASN 9 H ASN 9 0.672 -0.004 -10.795 83 HA ASN 9 HA ASN 9 2.936 0.474 -12.442 84 1HB ASN 9 2HB ASN 9 1.652 -0.700 -14.137 85 2HB ASN 9 1HB ASN 9 0.239 0.300 -13.813 86 1HD2 ASN 9 1HD2 ASN 9 3.457 0.236 -15.159 87 2HD2 ASN 9 2HD2 ASN 9 3.294 1.665 -16.122 88 H VAL 10 H VAL 10 0.067 1.442 -10.826 89 HA VAL 10 HA VAL 10 0.238 4.184 -11.745 90 HB VAL 10 HB VAL 10 -1.812 4.526 -10.413 91 1HG1 VAL 10 1HG1 VAL 10 -3.306 3.162 -11.812 92 2HG1 VAL 10 2HG1 VAL 10 -1.919 2.194 -12.315 93 3HG1 VAL 10 3HG1 VAL 10 -2.006 3.901 -12.746 94 1HG2 VAL 10 1HG2 VAL 10 -1.619 1.576 -9.839 95 2HG2 VAL 10 2HG2 VAL 10 -2.992 2.612 -9.447 96 3HG2 VAL 10 3HG2 VAL 10 -1.434 2.876 -8.661 97 H THR 11 H THR 11 1.023 5.824 -10.536 98 HA THR 11 HA THR 11 2.625 5.077 -8.290 99 HB THR 11 HB THR 11 3.166 6.875 -10.064 100 HG1 THR 11 HG1 THR 11 3.578 7.847 -7.432 101 1HG2 THR 11 1HG2 THR 11 1.480 8.532 -8.183 102 2HG2 THR 11 2HG2 THR 11 1.125 8.190 -9.877 103 3HG2 THR 11 3HG2 THR 11 2.529 9.168 -9.450 104 H LEU 12 H LEU 12 2.415 5.849 -6.135 105 HA LEU 12 HA LEU 12 -0.392 6.450 -5.458 106 1HB LEU 12 2HB LEU 12 0.174 4.123 -5.029 107 2HB LEU 12 1HB LEU 12 1.531 4.619 -4.045 108 HG LEU 12 HG LEU 12 -0.082 5.691 -2.470 109 1HD1 LEU 12 1HD1 LEU 12 -1.956 5.991 -3.993 110 2HD1 LEU 12 2HD1 LEU 12 -2.434 5.015 -2.605 111 3HD1 LEU 12 3HD1 LEU 12 -2.120 4.242 -4.159 112 1HD2 LEU 12 1HD2 LEU 12 -0.391 2.738 -2.974 113 2HD2 LEU 12 2HD2 LEU 12 -0.805 3.572 -1.477 114 3HD2 LEU 12 3HD2 LEU 12 0.872 3.512 -2.018 115 H GLU 13 H GLU 13 -0.711 8.114 -4.236 116 HA GLU 13 HA GLU 13 1.491 9.306 -2.729 117 1HB GLU 13 2HB GLU 13 -1.205 10.337 -3.587 118 2HB GLU 13 1HB GLU 13 -0.303 11.130 -2.305 119 1HG GLU 13 2HG GLU 13 0.157 12.309 -4.294 120 2HG GLU 13 1HG GLU 13 1.599 11.373 -3.917 121 H MET 14 H MET 14 0.942 10.050 -0.463 122 HA MET 14 HA MET 14 -1.041 8.470 0.905 123 1HB MET 14 2HB MET 14 0.655 7.313 2.345 124 2HB MET 14 1HB MET 14 0.631 6.761 0.670 125 1HG MET 14 2HG MET 14 2.540 8.403 0.284 126 2HG MET 14 1HG MET 14 2.656 8.491 2.041 127 1HE MET 14 1HE MET 14 3.280 4.650 -0.426 128 2HE MET 14 2HE MET 14 2.978 6.237 -1.134 129 3HE MET 14 3HE MET 14 1.707 5.425 -0.221 130 H ALA 15 H ALA 15 -0.853 8.756 3.286 131 HA ALA 15 HA ALA 15 0.347 11.360 3.961 132 1HB ALA 15 1HB ALA 15 -1.456 11.703 5.549 133 2HB ALA 15 2HB ALA 15 -2.143 10.131 5.144 134 3HB ALA 15 3HB ALA 15 -2.119 11.420 3.939 135 H ALA 16 H ALA 16 -0.848 8.354 5.448 136 HA ALA 16 HA ALA 16 1.583 8.307 7.096 137 1HB ALA 16 1HB ALA 16 0.318 7.476 8.988 138 2HB ALA 16 2HB ALA 16 -1.171 7.532 8.046 139 3HB ALA 16 3HB ALA 16 -0.334 9.028 8.460 140 H TYR 17 H TYR 17 2.453 6.894 5.522 141 HA TYR 17 HA TYR 17 1.266 4.299 5.115 142 1HB TYR 17 2HB TYR 17 2.676 5.509 3.412 143 2HB TYR 17 1HB TYR 17 4.068 5.218 4.445 144 HD1 TYR 17 HD1 TYR 17 5.027 2.976 4.636 145 HD2 TYR 17 HD2 TYR 17 1.654 3.710 2.156 146 HE1 TYR 17 HE1 TYR 17 5.384 0.816 3.512 147 HE2 TYR 17 HE2 TYR 17 1.999 1.557 1.035 148 HH TYR 17 HH TYR 17 3.839 -0.015 0.616 149 H GLN 18 H GLN 18 1.212 2.991 6.882 150 HA GLN 18 HA GLN 18 3.519 2.845 8.658 151 1HB GLN 18 2HB GLN 18 1.339 2.817 9.718 152 2HB GLN 18 1HB GLN 18 0.827 1.463 8.722 153 1HG GLN 18 2HG GLN 18 2.548 0.064 9.796 154 2HG GLN 18 1HG GLN 18 2.962 1.419 10.845 155 1HE2 GLN 18 1HE2 GLN 18 1.941 -1.255 11.495 156 2HE2 GLN 18 2HE2 GLN 18 0.490 -0.980 12.401 157 H GLU 19 H GLU 19 5.148 1.521 8.191 158 HA GLU 19 HA GLU 19 4.524 -0.979 6.795 159 1HB GLU 19 2HB GLU 19 5.611 -0.102 5.049 160 2HB GLU 19 1HB GLU 19 6.351 1.167 6.010 161 1HG GLU 19 2HG GLU 19 7.423 -1.594 6.259 162 2HG GLU 19 1HG GLU 19 7.770 -0.693 4.785 163 H GLU 20 H GLU 20 5.222 -2.738 7.677 164 HA GLU 20 HA GLU 20 7.577 -2.676 9.413 165 1HB GLU 20 2HB GLU 20 6.406 -4.355 10.911 166 2HB GLU 20 1HB GLU 20 5.803 -2.708 11.006 167 1HG GLU 20 2HG GLU 20 4.053 -3.488 9.286 168 2HG GLU 20 1HG GLU 20 4.531 -5.112 9.770 169 H SER 21 H SER 21 8.972 -3.736 8.220 170 HA SER 21 HA SER 21 8.084 -5.753 6.336 171 1HB SER 21 2HB SER 21 9.738 -3.990 5.724 172 2HB SER 21 1HB SER 21 10.875 -4.703 6.865 173 HG SER 21 HG SER 21 11.449 -5.798 5.154 174 H GLU 22 H GLU 22 9.532 -5.617 9.457 175 HA GLU 22 HA GLU 22 10.482 -8.364 9.249 176 1HB GLU 22 2HB GLU 22 10.856 -6.274 11.375 177 2HB GLU 22 1HB GLU 22 11.400 -7.931 11.552 178 1HG GLU 22 2HG GLU 22 12.793 -7.714 9.589 179 2HG GLU 22 1HG GLU 22 12.257 -6.048 9.375 180 HA PRO 23 HA PRO 23 9.320 -11.192 11.858 181 1HB PRO 23 2HB PRO 23 6.957 -9.758 13.024 182 2HB PRO 23 1HB PRO 23 7.747 -11.236 13.599 183 1HG PRO 23 2HG PRO 23 8.427 -8.622 14.376 184 2HG PRO 23 1HG PRO 23 9.433 -10.064 14.604 185 1HD PRO 23 2HD PRO 23 10.098 -7.869 12.988 186 2HD PRO 23 1HD PRO 23 10.830 -9.487 12.867 187 H LYS 24 H LYS 24 6.977 -9.111 10.251 188 HA LYS 24 HA LYS 24 6.466 -11.077 8.272 189 1HB LYS 24 2HB LYS 24 4.956 -11.654 10.378 190 2HB LYS 24 1HB LYS 24 3.971 -10.352 9.731 191 1HG LYS 24 2HG LYS 24 3.859 -11.545 7.577 192 2HG LYS 24 1HG LYS 24 4.752 -12.882 8.304 193 1HD LYS 24 2HD LYS 24 2.945 -13.041 10.024 194 2HD LYS 24 1HD LYS 24 2.034 -11.850 9.095 195 1HE LYS 24 2HE LYS 24 2.857 -14.620 8.246 196 2HE LYS 24 1HE LYS 24 1.222 -14.009 8.484 197 1HZ LYS 24 1HZ LYS 24 1.458 -13.949 6.209 198 2HZ LYS 24 2HZ LYS 24 3.090 -13.511 6.259 199 3HZ LYS 24 3HZ LYS 24 1.891 -12.364 6.616 200 H ARG 25 H ARG 25 6.113 -9.958 6.490 201 HA ARG 25 HA ARG 25 6.192 -7.150 6.533 202 1HB ARG 25 2HB ARG 25 5.556 -9.083 4.308 203 2HB ARG 25 1HB ARG 25 5.706 -7.347 4.059 204 1HG ARG 25 2HG ARG 25 8.006 -7.414 4.829 205 2HG ARG 25 1HG ARG 25 7.865 -9.142 5.151 206 1HD ARG 25 2HD ARG 25 7.537 -9.597 2.805 207 2HD ARG 25 1HD ARG 25 7.510 -7.872 2.440 208 HE ARG 25 HE ARG 25 9.899 -7.999 3.458 209 1HH1 ARG 25 1HH1 ARG 25 8.396 -10.432 1.426 210 2HH1 ARG 25 2HH1 ARG 25 9.893 -10.966 0.742 211 1HH2 ARG 25 1HH2 ARG 25 11.868 -8.689 2.547 212 2HH2 ARG 25 2HH2 ARG 25 11.869 -9.961 1.353 213 H LYS 26 H LYS 26 4.624 -5.952 7.326 214 HA LYS 26 HA LYS 26 1.934 -6.289 6.184 215 1HB LYS 26 2HB LYS 26 2.048 -7.088 8.568 216 2HB LYS 26 1HB LYS 26 2.505 -5.460 9.040 217 1HG LYS 26 2HG LYS 26 0.023 -5.723 7.462 218 2HG LYS 26 1HG LYS 26 -0.006 -6.370 9.101 219 1HD LYS 26 2HD LYS 26 1.231 -3.744 8.977 220 2HD LYS 26 1HD LYS 26 -0.425 -3.735 8.366 221 1HE LYS 26 2HE LYS 26 -0.460 -3.280 10.726 222 2HE LYS 26 1HE LYS 26 -1.154 -4.872 10.439 223 1HZ LYS 26 1HZ LYS 26 1.548 -4.243 11.502 224 2HZ LYS 26 2HZ LYS 26 1.075 -5.795 11.021 225 3HZ LYS 26 3HZ LYS 26 0.276 -5.034 12.305 226 H ILE 27 H ILE 27 1.136 -4.492 5.287 227 HA ILE 27 HA ILE 27 2.358 -1.919 5.993 228 HB ILE 27 HB ILE 27 2.241 -1.295 3.544 229 1HG1 ILE 27 2HG1 ILE 27 2.142 -4.298 3.181 230 2HG1 ILE 27 1HG1 ILE 27 0.802 -3.205 2.853 231 1HG2 ILE 27 1HG2 ILE 27 4.409 -2.332 3.024 232 2HG2 ILE 27 2HG2 ILE 27 4.191 -3.439 4.380 233 3HG2 ILE 27 3HG2 ILE 27 4.350 -1.706 4.673 234 1HD1 ILE 27 1HD1 ILE 27 1.944 -3.843 0.811 235 2HD1 ILE 27 2HD1 ILE 27 3.460 -3.210 1.449 236 3HD1 ILE 27 3HD1 ILE 27 2.120 -2.114 1.115 237 H ALA 28 H ALA 28 0.877 -0.521 6.560 238 HA ALA 28 HA ALA 28 -1.746 -0.573 5.236 239 1HB ALA 28 1HB ALA 28 -2.001 -1.731 7.379 240 2HB ALA 28 2HB ALA 28 -2.867 -0.194 7.380 241 3HB ALA 28 3HB ALA 28 -1.321 -0.337 8.217 242 H PHE 29 H PHE 29 -1.897 1.351 4.241 243 HA PHE 29 HA PHE 29 -0.675 3.641 5.628 244 1HB PHE 29 2HB PHE 29 -0.345 4.710 3.471 245 2HB PHE 29 1HB PHE 29 0.437 3.138 3.510 246 HD1 PHE 29 HD2 PHE 29 -0.538 1.247 2.249 247 HD2 PHE 29 HD1 PHE 29 -2.059 5.207 1.931 248 HE1 PHE 29 HE2 PHE 29 -1.683 0.634 0.159 249 HE2 PHE 29 HE1 PHE 29 -3.209 4.603 -0.157 250 HZ PHE 29 HZ PHE 29 -3.022 2.316 -1.048 251 H THR 30 H THR 30 -1.764 5.458 5.946 252 HA THR 30 HA THR 30 -4.628 5.407 5.636 253 HB THR 30 HB THR 30 -2.861 7.637 6.667 254 HG1 THR 30 HG1 THR 30 -3.420 5.216 7.707 255 1HG2 THR 30 1HG2 THR 30 -5.111 8.378 6.104 256 2HG2 THR 30 2HG2 THR 30 -4.904 8.341 7.854 257 3HG2 THR 30 3HG2 THR 30 -5.803 7.057 7.043 258 H LEU 31 H LEU 31 -5.546 5.940 3.789 259 HA LEU 31 HA LEU 31 -4.255 7.932 2.047 260 1HB LEU 31 2HB LEU 31 -5.021 5.442 1.358 261 2HB LEU 31 1HB LEU 31 -6.532 6.279 1.091 262 HG LEU 31 HG LEU 31 -3.928 7.091 -0.202 263 1HD1 LEU 31 1HD1 LEU 31 -4.851 6.094 -2.251 264 2HD1 LEU 31 2HD1 LEU 31 -6.200 5.449 -1.312 265 3HD1 LEU 31 3HD1 LEU 31 -4.556 4.892 -0.995 266 1HD2 LEU 31 1HD2 LEU 31 -5.553 8.896 0.005 267 2HD2 LEU 31 2HD2 LEU 31 -6.784 7.887 -0.753 268 3HD2 LEU 31 3HD2 LEU 31 -5.373 8.400 -1.678 269 H ASN 32 H ASN 32 -5.113 9.908 2.289 270 HA ASN 32 HA ASN 32 -7.785 10.121 3.378 271 1HB ASN 32 2HB ASN 32 -7.164 12.605 3.485 272 2HB ASN 32 1HB ASN 32 -6.356 11.496 4.574 273 1HD2 ASN 32 1HD2 ASN 32 -5.612 11.834 1.164 274 2HD2 ASN 32 2HD2 ASN 32 -4.083 12.600 1.386 275 H VAL 33 H VAL 33 -9.270 9.830 1.915 276 HA VAL 33 HA VAL 33 -9.090 10.736 -0.803 277 HB VAL 33 HB VAL 33 -11.375 9.560 0.783 278 1HG1 VAL 33 1HG1 VAL 33 -11.149 10.040 -2.180 279 2HG1 VAL 33 2HG1 VAL 33 -12.272 10.817 -1.062 280 3HG1 VAL 33 3HG1 VAL 33 -12.410 9.091 -1.396 281 1HG2 VAL 33 1HG2 VAL 33 -10.826 7.511 -0.478 282 2HG2 VAL 33 2HG2 VAL 33 -9.527 8.046 0.588 283 3HG2 VAL 33 3HG2 VAL 33 -9.418 8.337 -1.149 284 H THR 34 H THR 34 -10.114 12.527 -1.760 285 HA THR 34 HA THR 34 -10.878 14.538 0.196 286 HB THR 34 HB THR 34 -10.539 16.184 -1.432 287 HG1 THR 34 HG1 THR 34 -10.622 14.050 -3.362 288 1HG2 THR 34 1HG2 THR 34 -8.459 15.142 -0.679 289 2HG2 THR 34 2HG2 THR 34 -8.318 15.727 -2.336 290 3HG2 THR 34 3HG2 THR 34 -8.535 14.005 -2.023 291 H SER 35 H SER 35 -12.762 15.926 -0.211 292 HA SER 35 HA SER 35 -15.035 14.354 -0.018 293 1HB SER 35 2HB SER 35 -14.974 17.307 -0.647 294 2HB SER 35 1HB SER 35 -16.252 16.417 0.182 295 HG SER 35 HG SER 35 -14.519 15.873 1.758 296 H GLU 36 H GLU 36 -13.693 15.891 -2.861 297 HA GLU 36 HA GLU 36 -16.103 16.005 -4.363 298 1HB GLU 36 2HB GLU 36 -14.020 17.347 -4.815 299 2HB GLU 36 1HB GLU 36 -13.284 15.883 -5.445 300 1HG GLU 36 2HG GLU 36 -14.105 17.253 -7.252 301 2HG GLU 36 1HG GLU 36 -15.029 15.754 -7.158 302 H THR 37 H THR 37 -13.279 13.868 -4.681 303 HA THR 37 HA THR 37 -14.694 12.079 -6.431 304 HB THR 37 HB THR 37 -12.354 10.807 -5.778 305 HG1 THR 37 HG1 THR 37 -11.072 12.229 -4.834 306 1HG2 THR 37 1HG2 THR 37 -13.161 11.327 -8.043 307 2HG2 THR 37 2HG2 THR 37 -11.474 11.806 -7.847 308 3HG2 THR 37 3HG2 THR 37 -12.750 13.025 -7.799 309 H TYR 38 H TYR 38 -14.523 12.455 -3.130 310 HA TYR 38 HA TYR 38 -14.248 10.007 -1.953 311 1HB TYR 38 2HB TYR 38 -14.576 12.147 -0.763 312 2HB TYR 38 1HB TYR 38 -16.272 12.135 -1.224 313 HD1 TYR 38 HD2 TYR 38 -13.737 10.670 0.968 314 HD2 TYR 38 HD1 TYR 38 -17.849 10.649 -0.125 315 HE1 TYR 38 HE2 TYR 38 -14.271 9.426 3.019 316 HE2 TYR 38 HE1 TYR 38 -18.395 9.409 1.926 317 HH TYR 38 HH TYR 38 -17.183 7.859 3.508 318 H HIS 39 H HIS 39 -17.033 11.162 -3.757 319 HA HIS 39 HA HIS 39 -18.894 9.335 -2.657 320 1HB HIS 39 2HB HIS 39 -18.984 10.894 -5.244 321 2HB HIS 39 1HB HIS 39 -20.347 10.016 -4.554 322 HD1 HIS 39 HD1 HIS 39 -19.064 13.304 -4.735 323 HD2 HIS 39 HD2 HIS 39 -20.791 11.029 -1.715 324 HE1 HIS 39 HE1 HIS 39 -19.793 14.951 -2.980 325 HE2 HIS 39 HE2 HIS 39 -20.691 13.536 -1.093 326 H ASP 40 H ASP 40 -17.199 9.306 -5.807 327 HA ASP 40 HA ASP 40 -18.243 6.737 -6.517 328 1HB ASP 40 2HB ASP 40 -17.498 8.406 -8.190 329 2HB ASP 40 1HB ASP 40 -15.839 8.192 -7.641 330 H ILE 41 H ILE 41 -15.343 7.906 -4.987 331 HA ILE 41 HA ILE 41 -13.890 5.487 -4.954 332 HB ILE 41 HB ILE 41 -13.779 7.911 -3.151 333 1HG1 ILE 41 2HG1 ILE 41 -12.014 7.020 -5.436 334 2HG1 ILE 41 1HG1 ILE 41 -13.241 8.278 -5.532 335 1HG2 ILE 41 1HG2 ILE 41 -11.556 7.110 -2.462 336 2HG2 ILE 41 2HG2 ILE 41 -11.853 5.600 -3.324 337 3HG2 ILE 41 3HG2 ILE 41 -12.853 6.038 -1.935 338 1HD1 ILE 41 1HD1 ILE 41 -11.996 9.602 -3.903 339 2HD1 ILE 41 2HD1 ILE 41 -11.028 9.231 -5.330 340 3HD1 ILE 41 3HD1 ILE 41 -10.763 8.344 -3.828 341 H ALA 42 H ALA 42 -16.546 6.682 -3.098 342 HA ALA 42 HA ALA 42 -16.308 4.830 -0.930 343 1HB ALA 42 1HB ALA 42 -17.523 6.941 -0.689 344 2HB ALA 42 2HB ALA 42 -18.548 5.554 -0.318 345 3HB ALA 42 3HB ALA 42 -18.717 6.387 -1.864 346 H VAL 43 H VAL 43 -17.167 4.476 -4.150 347 HA VAL 43 HA VAL 43 -18.946 2.211 -3.652 348 HB VAL 43 HB VAL 43 -18.034 3.309 -6.321 349 1HG1 VAL 43 1HG1 VAL 43 -19.966 2.113 -7.210 350 2HG1 VAL 43 2HG1 VAL 43 -20.356 1.525 -5.594 351 3HG1 VAL 43 3HG1 VAL 43 -18.866 1.008 -6.386 352 1HG2 VAL 43 1HG2 VAL 43 -19.212 5.047 -5.099 353 2HG2 VAL 43 2HG2 VAL 43 -20.538 3.935 -4.757 354 3HG2 VAL 43 3HG2 VAL 43 -20.217 4.441 -6.415 355 H LEU 44 H LEU 44 -15.715 2.991 -4.752 356 HA LEU 44 HA LEU 44 -15.044 0.375 -5.668 357 1HB LEU 44 2HB LEU 44 -13.830 2.504 -6.256 358 2HB LEU 44 1HB LEU 44 -13.140 2.479 -4.646 359 HG LEU 44 HG LEU 44 -12.151 0.236 -5.186 360 1HD1 LEU 44 1HD1 LEU 44 -11.963 -0.380 -7.550 361 2HD1 LEU 44 2HD1 LEU 44 -13.047 0.944 -7.978 362 3HD1 LEU 44 3HD1 LEU 44 -13.638 -0.399 -6.999 363 1HD2 LEU 44 1HD2 LEU 44 -10.844 2.299 -5.280 364 2HD2 LEU 44 2HD2 LEU 44 -11.316 2.517 -6.966 365 3HD2 LEU 44 3HD2 LEU 44 -10.326 1.134 -6.498 366 H LEU 45 H LEU 45 -13.303 -0.980 -4.616 367 HA LEU 45 HA LEU 45 -13.496 -0.963 -1.701 368 1HB LEU 45 2HB LEU 45 -13.977 -3.315 -3.535 369 2HB LEU 45 1HB LEU 45 -13.691 -3.471 -1.813 370 HG LEU 45 HG LEU 45 -16.008 -1.960 -3.025 371 1HD1 LEU 45 1HD1 LEU 45 -16.139 -4.364 -3.491 372 2HD1 LEU 45 2HD1 LEU 45 -17.376 -3.848 -2.345 373 3HD1 LEU 45 3HD1 LEU 45 -15.945 -4.703 -1.770 374 1HD2 LEU 45 1HD2 LEU 45 -15.322 -1.172 -0.811 375 2HD2 LEU 45 2HD2 LEU 45 -15.441 -2.816 -0.188 376 3HD2 LEU 45 3HD2 LEU 45 -16.887 -1.980 -0.755 377 H TYR 46 H TYR 46 -12.018 -2.890 -0.960 378 HA TYR 46 HA TYR 46 -9.307 -2.375 -1.464 379 1HB TYR 46 2HB TYR 46 -10.348 -5.095 -0.666 380 2HB TYR 46 1HB TYR 46 -8.872 -4.286 -0.151 381 HD1 TYR 46 HD1 TYR 46 -8.930 -2.593 1.595 382 HD2 TYR 46 HD2 TYR 46 -12.467 -4.599 0.341 383 HE1 TYR 46 HE1 TYR 46 -10.082 -1.781 3.606 384 HE2 TYR 46 HE2 TYR 46 -13.637 -3.799 2.361 385 HH TYR 46 HH TYR 46 -12.219 -1.443 4.483 386 H GLU 47 H GLU 47 -11.646 -4.527 -2.864 387 HA GLU 47 HA GLU 47 -11.846 -5.581 -4.798 388 1HB GLU 47 2HB GLU 47 -9.240 -4.239 -5.504 389 2HB GLU 47 1HB GLU 47 -10.156 -5.238 -6.624 390 1HG GLU 47 2HG GLU 47 -11.075 -2.677 -5.339 391 2HG GLU 47 1HG GLU 47 -10.610 -2.905 -7.023 392 H LYS 48 H LYS 48 -8.370 -6.009 -5.147 393 HA LYS 48 HA LYS 48 -8.706 -8.784 -4.269 394 1HB LYS 48 2HB LYS 48 -7.892 -7.936 -7.044 395 2HB LYS 48 1HB LYS 48 -7.564 -9.540 -6.408 396 1HG LYS 48 2HG LYS 48 -10.317 -8.341 -6.617 397 2HG LYS 48 1HG LYS 48 -9.590 -9.394 -7.834 398 1HD LYS 48 2HD LYS 48 -9.962 -10.165 -4.943 399 2HD LYS 48 1HD LYS 48 -11.112 -10.558 -6.224 400 1HE LYS 48 2HE LYS 48 -9.470 -11.882 -7.368 401 2HE LYS 48 1HE LYS 48 -8.203 -11.353 -6.262 402 1HZ LYS 48 1HZ LYS 48 -10.589 -12.887 -5.389 403 2HZ LYS 48 2HZ LYS 48 -9.180 -12.556 -4.497 404 3HZ LYS 48 3HZ LYS 48 -9.116 -13.615 -5.817 405 H THR 49 H THR 49 -6.107 -7.634 -6.319 406 HA THR 49 HA THR 49 -4.264 -8.034 -4.066 407 HB THR 49 HB THR 49 -4.211 -10.017 -5.475 408 HG1 THR 49 HG1 THR 49 -2.134 -10.091 -5.215 409 1HG2 THR 49 1HG2 THR 49 -3.505 -8.147 -7.731 410 2HG2 THR 49 2HG2 THR 49 -5.001 -9.068 -7.569 411 3HG2 THR 49 3HG2 THR 49 -3.471 -9.908 -7.817 412 H PHE 50 H PHE 50 -2.080 -7.192 -4.541 413 HA PHE 50 HA PHE 50 -2.070 -4.836 -6.277 414 1HB PHE 50 2HB PHE 50 -1.344 -4.748 -3.339 415 2HB PHE 50 1HB PHE 50 -1.187 -3.416 -4.478 416 HD1 PHE 50 HD2 PHE 50 -3.171 -2.273 -5.333 417 HD2 PHE 50 HD1 PHE 50 -3.455 -5.342 -2.400 418 HE1 PHE 50 HE2 PHE 50 -5.463 -1.553 -4.804 419 HE2 PHE 50 HE1 PHE 50 -5.745 -4.631 -1.866 420 HZ PHE 50 HZ PHE 50 -6.753 -2.730 -3.073 421 H ASN 51 H ASN 51 -0.264 -4.829 -7.431 422 HA ASN 51 HA ASN 51 2.067 -6.320 -6.585 423 1HB ASN 51 2HB ASN 51 1.652 -6.308 -8.946 424 2HB ASN 51 1HB ASN 51 1.521 -4.554 -8.978 425 1HD2 ASN 51 1HD2 ASN 51 3.709 -7.264 -8.785 426 2HD2 ASN 51 2HD2 ASN 51 5.151 -6.368 -9.125 427 H VAL 52 H VAL 52 3.005 -5.453 -4.859 428 HA VAL 52 HA VAL 52 3.324 -2.578 -4.592 429 HB VAL 52 HB VAL 52 4.239 -4.762 -2.710 430 1HG1 VAL 52 1HG1 VAL 52 3.829 -1.805 -2.280 431 2HG1 VAL 52 2HG1 VAL 52 5.380 -2.639 -2.369 432 3HG1 VAL 52 3HG1 VAL 52 4.273 -2.973 -1.036 433 1HG2 VAL 52 1HG2 VAL 52 2.212 -4.254 -1.408 434 2HG2 VAL 52 2HG2 VAL 52 1.839 -4.904 -3.005 435 3HG2 VAL 52 3HG2 VAL 52 1.675 -3.176 -2.695 436 H GLU 53 H GLU 53 4.853 -1.961 -6.046 437 HA GLU 53 HA GLU 53 7.501 -3.203 -5.769 438 1HB GLU 53 2HB GLU 53 6.453 -3.499 -8.014 439 2HB GLU 53 1HB GLU 53 6.400 -1.751 -8.183 440 1HG GLU 53 2HG GLU 53 8.775 -1.605 -8.216 441 2HG GLU 53 1HG GLU 53 8.939 -3.304 -7.775 442 H VAL 54 H VAL 54 9.003 -2.065 -4.954 443 HA VAL 54 HA VAL 54 8.701 0.847 -4.874 444 HB VAL 54 HB VAL 54 7.850 -0.188 -2.783 445 1HG1 VAL 54 1HG1 VAL 54 9.397 -1.147 -1.166 446 2HG1 VAL 54 2HG1 VAL 54 10.693 -1.074 -2.360 447 3HG1 VAL 54 3HG1 VAL 54 9.299 -2.122 -2.633 448 1HG2 VAL 54 1HG2 VAL 54 9.083 1.258 -1.257 449 2HG2 VAL 54 2HG2 VAL 54 8.667 2.059 -2.772 450 3HG2 VAL 54 3HG2 VAL 54 10.314 1.492 -2.498 451 HA PRO 55 HA PRO 55 12.855 0.328 -6.407 452 1HB PRO 55 2HB PRO 55 13.345 2.949 -6.884 453 2HB PRO 55 1HB PRO 55 12.337 1.949 -7.935 454 1HG PRO 55 2HG PRO 55 11.523 3.912 -5.833 455 2HG PRO 55 1HG PRO 55 10.824 3.630 -7.436 456 1HD PRO 55 2HD PRO 55 9.738 2.656 -5.135 457 2HD PRO 55 1HD PRO 55 9.562 1.857 -6.709 458 H GLU 56 H GLU 56 12.045 2.684 -3.882 459 HA GLU 56 HA GLU 56 14.689 3.300 -3.130 460 1HB GLU 56 2HB GLU 56 13.629 4.096 -0.991 461 2HB GLU 56 1HB GLU 56 12.948 4.780 -2.461 462 1HG GLU 56 2HG GLU 56 11.071 3.257 -2.329 463 2HG GLU 56 1HG GLU 56 11.767 2.494 -0.902 464 H ARG 57 H ARG 57 12.500 0.751 -2.122 465 HA ARG 57 HA ARG 57 14.478 -0.258 -0.210 466 1HB ARG 57 2HB ARG 57 11.560 -0.697 -0.635 467 2HB ARG 57 1HB ARG 57 12.488 -2.006 0.070 468 1HG ARG 57 2HG ARG 57 11.380 -0.595 1.744 469 2HG ARG 57 1HG ARG 57 13.133 -0.623 1.927 470 1HD ARG 57 2HD ARG 57 11.972 1.551 0.278 471 2HD ARG 57 1HD ARG 57 11.692 1.626 2.016 472 HE ARG 57 HE ARG 57 14.439 1.224 1.127 473 1HH1 ARG 57 1HH1 ARG 57 11.999 3.519 2.119 474 2HH1 ARG 57 2HH1 ARG 57 13.136 4.610 2.848 475 1HH2 ARG 57 1HH2 ARG 57 15.962 2.689 2.031 476 2HH2 ARG 57 2HH2 ARG 57 15.380 4.131 2.821 477 H ASP 58 H ASP 58 13.740 -0.525 -3.389 478 HA ASP 58 HA ASP 58 13.916 -2.044 -5.060 479 1HB ASP 58 2HB ASP 58 16.309 -1.842 -4.235 480 2HB ASP 58 1HB ASP 58 16.048 -3.356 -3.373 481 H LEU 59 H LEU 59 11.754 -2.748 -4.241 482 HA LEU 59 HA LEU 59 11.841 -5.606 -3.565 483 1HB LEU 59 2HB LEU 59 11.242 -3.741 -1.677 484 2HB LEU 59 1HB LEU 59 9.653 -4.041 -2.346 485 HG LEU 59 HG LEU 59 11.463 -6.151 -1.159 486 1HD1 LEU 59 1HD1 LEU 59 9.838 -6.178 0.672 487 2HD1 LEU 59 2HD1 LEU 59 8.981 -4.828 -0.073 488 3HD1 LEU 59 3HD1 LEU 59 10.626 -4.608 0.521 489 1HD2 LEU 59 1HD2 LEU 59 9.502 -7.605 -1.296 490 2HD2 LEU 59 2HD2 LEU 59 9.996 -7.052 -2.896 491 3HD2 LEU 59 3HD2 LEU 59 8.600 -6.321 -2.103 492 H ALA 60 H ALA 60 10.710 -6.713 -5.003 493 HA ALA 60 HA ALA 60 8.356 -5.438 -6.239 494 1HB ALA 60 1HB ALA 60 10.122 -7.589 -7.414 495 2HB ALA 60 2HB ALA 60 10.138 -5.886 -7.871 496 3HB ALA 60 3HB ALA 60 8.707 -6.868 -8.185 497 H PHE 61 H PHE 61 6.748 -6.152 -4.922 498 HA PHE 61 HA PHE 61 6.511 -9.066 -4.533 499 1HB PHE 61 2HB PHE 61 7.325 -8.060 -2.462 500 2HB PHE 61 1HB PHE 61 6.022 -6.884 -2.492 501 HD1 PHE 61 HD2 PHE 61 6.713 -10.516 -2.201 502 HD2 PHE 61 HD1 PHE 61 3.998 -7.332 -1.441 503 HE1 PHE 61 HE2 PHE 61 5.334 -12.023 -0.841 504 HE2 PHE 61 HE1 PHE 61 2.614 -8.833 -0.073 505 HZ PHE 61 HZ PHE 61 3.279 -11.185 0.226 506 H ARG 62 H ARG 62 4.409 -9.881 -4.566 507 HA ARG 62 HA ARG 62 2.297 -7.917 -5.145 508 1HB ARG 62 2HB ARG 62 2.875 -9.072 -7.204 509 2HB ARG 62 1HB ARG 62 2.677 -10.631 -6.418 510 1HG ARG 62 2HG ARG 62 0.320 -10.296 -6.197 511 2HG ARG 62 1HG ARG 62 0.453 -8.633 -6.774 512 1HD ARG 62 2HD ARG 62 1.073 -9.356 -8.951 513 2HD ARG 62 1HD ARG 62 1.279 -11.016 -8.403 514 HE ARG 62 HE ARG 62 -1.370 -9.749 -8.320 515 1HH1 ARG 62 1HH1 ARG 62 0.784 -12.236 -9.547 516 2HH1 ARG 62 2HH1 ARG 62 -0.503 -13.165 -10.269 517 1HH2 ARG 62 1HH2 ARG 62 -3.056 -10.997 -9.267 518 2HH2 ARG 62 2HH2 ARG 62 -2.665 -12.477 -10.082 519 H GLY 63 H GLY 63 0.989 -7.864 -3.473 520 1HA GLY 63 2HA GLY 63 0.342 -10.413 -2.123 521 2HA GLY 63 1HA GLY 63 0.686 -8.945 -1.222 522 H GLU 64 H GLU 64 -1.761 -10.832 -1.951 523 HA GLU 64 HA GLU 64 -3.660 -8.662 -2.428 524 1HB GLU 64 2HB GLU 64 -5.347 -10.493 -2.604 525 2HB GLU 64 1HB GLU 64 -4.066 -10.583 -3.800 526 1HG GLU 64 2HG GLU 64 -2.940 -12.252 -2.293 527 2HG GLU 64 1HG GLU 64 -4.437 -12.281 -1.360 528 H MET 65 H MET 65 -5.445 -8.345 -0.975 529 HA MET 65 HA MET 65 -4.491 -8.179 1.671 530 1HB MET 65 2HB MET 65 -7.265 -7.753 0.575 531 2HB MET 65 1HB MET 65 -6.795 -7.400 2.232 532 1HG MET 65 2HG MET 65 -5.059 -5.854 1.296 533 2HG MET 65 1HG MET 65 -5.822 -6.087 -0.280 534 1HE MET 65 1HE MET 65 -5.447 -3.250 0.983 535 2HE MET 65 2HE MET 65 -7.025 -2.509 0.711 536 3HE MET 65 3HE MET 65 -6.280 -3.496 -0.549 537 H THR 66 H THR 66 -4.725 -9.393 3.387 538 HA THR 66 HA THR 66 -6.208 -11.892 3.191 539 HB THR 66 HB THR 66 -5.081 -12.454 5.311 540 HG1 THR 66 HG1 THR 66 -4.841 -10.466 6.299 541 1HG2 THR 66 1HG2 THR 66 -2.776 -12.521 4.463 542 2HG2 THR 66 2HG2 THR 66 -3.204 -11.351 3.216 543 3HG2 THR 66 3HG2 THR 66 -3.937 -12.957 3.207 544 H ASN 67 H ASN 67 -6.604 -8.750 4.234 545 HA ASN 67 HA ASN 67 -8.561 -9.490 6.305 546 1HB ASN 67 2HB ASN 67 -6.999 -6.902 6.180 547 2HB ASN 67 1HB ASN 67 -8.010 -7.478 7.500 548 1HD2 ASN 67 1HD2 ASN 67 -5.204 -6.673 7.478 549 2HD2 ASN 67 2HD2 ASN 67 -4.314 -8.033 8.073 550 H TYR 68 H TYR 68 -10.586 -8.858 5.925 551 HA TYR 68 HA TYR 68 -11.022 -6.604 4.096 552 1HB TYR 68 2HB TYR 68 -12.544 -9.212 4.201 553 2HB TYR 68 1HB TYR 68 -13.140 -7.779 3.371 554 HD1 TYR 68 HD2 TYR 68 -11.725 -6.815 1.483 555 HD2 TYR 68 HD1 TYR 68 -11.049 -10.684 3.126 556 HE1 TYR 68 HE2 TYR 68 -10.468 -7.445 -0.534 557 HE2 TYR 68 HE1 TYR 68 -9.788 -11.321 1.114 558 HH TYR 68 HH TYR 68 -8.684 -9.106 -1.150 559 H SER 69 H SER 69 -11.618 -5.028 5.415 560 HA SER 69 HA SER 69 -13.492 -5.601 7.585 561 1HB SER 69 2HB SER 69 -12.850 -3.219 8.276 562 2HB SER 69 1HB SER 69 -11.576 -4.439 8.378 563 HG SER 69 HG SER 69 -11.136 -2.295 7.291 564 H THR 70 H THR 70 -14.608 -3.065 7.860 565 HA THR 70 HA THR 70 -16.228 -2.911 5.421 566 HB THR 70 HB THR 70 -17.886 -1.733 6.993 567 HG1 THR 70 HG1 THR 70 -17.599 -2.069 9.159 568 1HG2 THR 70 1HG2 THR 70 -18.262 -3.964 6.088 569 2HG2 THR 70 2HG2 THR 70 -18.778 -3.898 7.773 570 3HG2 THR 70 3HG2 THR 70 -17.249 -4.665 7.350 571 H SER 71 H SER 71 -14.342 -1.593 4.656 572 HA SER 71 HA SER 71 -15.031 1.226 5.087 573 1HB SER 71 2HB SER 71 -12.209 0.153 4.844 574 2HB SER 71 1HB SER 71 -12.656 1.856 4.947 575 HG SER 71 HG SER 71 -13.723 1.172 7.010 576 H LEU 72 H LEU 72 -16.126 1.464 3.223 577 HA LEU 72 HA LEU 72 -15.093 0.312 0.753 578 1HB LEU 72 2HB LEU 72 -17.666 1.754 1.399 579 2HB LEU 72 1HB LEU 72 -17.245 1.203 -0.206 580 HG LEU 72 HG LEU 72 -17.165 -1.143 0.723 581 1HD1 LEU 72 1HD1 LEU 72 -18.388 -1.570 2.800 582 2HD1 LEU 72 2HD1 LEU 72 -18.489 0.165 3.094 583 3HD1 LEU 72 3HD1 LEU 72 -16.919 -0.639 3.086 584 1HD2 LEU 72 1HD2 LEU 72 -19.041 -0.319 -0.584 585 2HD2 LEU 72 2HD2 LEU 72 -19.781 0.340 0.875 586 3HD2 LEU 72 3HD2 LEU 72 -19.591 -1.403 0.694 587 H THR 73 H THR 73 -13.210 1.909 0.939 588 HA THR 73 HA THR 73 -13.613 4.053 -0.907 589 HB THR 73 HB THR 73 -13.053 4.790 1.984 590 HG1 THR 73 HG1 THR 73 -15.308 4.707 0.564 591 1HG2 THR 73 1HG2 THR 73 -12.926 6.485 -0.504 592 2HG2 THR 73 2HG2 THR 73 -11.588 6.064 0.570 593 3HG2 THR 73 3HG2 THR 73 -12.889 7.106 1.147 594 H ASN 74 H ASN 74 -11.777 3.865 -2.126 595 HA ASN 74 HA ASN 74 -9.255 4.500 -1.090 596 1HB ASN 74 2HB ASN 74 -8.087 2.332 -1.293 597 2HB ASN 74 1HB ASN 74 -9.277 2.348 0.000 598 1HD2 ASN 74 1HD2 ASN 74 -9.460 0.140 0.031 599 2HD2 ASN 74 2HD2 ASN 74 -10.238 -0.752 -1.227 600 H LEU 75 H LEU 75 -7.430 4.054 -2.616 601 HA LEU 75 HA LEU 75 -6.359 3.699 -4.558 602 1HB LEU 75 2HB LEU 75 -8.652 1.855 -4.719 603 2HB LEU 75 1HB LEU 75 -7.786 2.155 -6.212 604 HG LEU 75 HG LEU 75 -6.928 0.159 -5.137 605 1HD1 LEU 75 1HD1 LEU 75 -5.352 1.505 -6.393 606 2HD1 LEU 75 2HD1 LEU 75 -4.557 0.747 -5.014 607 3HD1 LEU 75 3HD1 LEU 75 -4.989 2.456 -4.953 608 1HD2 LEU 75 1HD2 LEU 75 -5.821 0.235 -2.969 609 2HD2 LEU 75 2HD2 LEU 75 -7.516 0.698 -2.825 610 3HD2 LEU 75 3HD2 LEU 75 -6.258 1.934 -2.793 611 H TYR 76 H TYR 76 -8.409 6.003 -4.519 612 HA TYR 76 HA TYR 76 -7.994 6.552 -7.350 613 1HB TYR 76 2HB TYR 76 -10.643 6.097 -6.152 614 2HB TYR 76 1HB TYR 76 -10.515 7.560 -7.120 615 HD1 TYR 76 HD2 TYR 76 -9.480 7.273 -9.493 616 HD2 TYR 76 HD1 TYR 76 -11.079 4.066 -7.202 617 HE1 TYR 76 HE2 TYR 76 -9.757 5.951 -11.546 618 HE2 TYR 76 HE1 TYR 76 -11.360 2.737 -9.251 619 HH TYR 76 HH TYR 76 -9.969 3.659 -12.252 620 H GLU 77 H GLU 77 -6.975 7.639 -4.757 621 HA GLU 77 HA GLU 77 -7.678 10.429 -5.283 622 1HB GLU 77 2HB GLU 77 -9.073 9.643 -3.404 623 2HB GLU 77 1HB GLU 77 -7.610 9.230 -2.516 624 1HG GLU 77 2HG GLU 77 -8.449 11.338 -1.745 625 2HG GLU 77 1HG GLU 77 -6.930 11.593 -2.602 626 HA PRO 78 HA PRO 78 -3.272 10.794 -4.438 627 1HB PRO 78 2HB PRO 78 -2.778 12.689 -6.255 628 2HB PRO 78 1HB PRO 78 -2.994 11.002 -6.728 629 1HG PRO 78 2HG PRO 78 -4.844 13.300 -7.031 630 2HG PRO 78 1HG PRO 78 -4.661 11.860 -8.046 631 1HD PRO 78 2HD PRO 78 -6.617 12.314 -6.036 632 2HD PRO 78 1HD PRO 78 -6.324 10.811 -6.931 633 H GLY 79 H GLY 79 -5.960 12.682 -3.831 634 1HA GLY 79 2HA GLY 79 -4.578 15.132 -3.098 635 2HA GLY 79 1HA GLY 79 -6.297 14.812 -2.932 636 H ALA 80 H ALA 80 -6.174 15.778 -0.812 637 HA ALA 80 HA ALA 80 -5.344 13.856 1.207 638 1HB ALA 80 1HB ALA 80 -4.090 15.506 2.497 639 2HB ALA 80 2HB ALA 80 -4.330 16.694 1.216 640 3HB ALA 80 3HB ALA 80 -3.367 15.249 0.909 641 H VAL 81 H VAL 81 -7.526 13.583 1.813 642 HA VAL 81 HA VAL 81 -8.505 15.779 3.467 643 HB VAL 81 HB VAL 81 -10.234 14.417 1.426 644 1HG1 VAL 81 1HG1 VAL 81 -11.423 14.664 3.575 645 2HG1 VAL 81 2HG1 VAL 81 -12.083 15.717 2.323 646 3HG1 VAL 81 3HG1 VAL 81 -11.034 16.384 3.575 647 1HG2 VAL 81 1HG2 VAL 81 -10.495 16.619 0.534 648 2HG2 VAL 81 2HG2 VAL 81 -8.768 16.278 0.708 649 3HG2 VAL 81 3HG2 VAL 81 -9.588 17.314 1.878 650 H SER 82 H SER 82 -10.213 12.799 2.586 651 HA SER 82 HA SER 82 -10.817 12.455 5.387 652 1HB SER 82 2HB SER 82 -11.854 11.060 2.915 653 2HB SER 82 1HB SER 82 -12.481 10.800 4.538 654 HG SER 82 HG SER 82 -13.303 12.822 4.568 655 H GLU 83 H GLU 83 -9.717 11.102 6.684 656 HA GLU 83 HA GLU 83 -7.650 9.452 5.679 657 1HB GLU 83 2HB GLU 83 -8.874 9.461 8.437 658 2HB GLU 83 1HB GLU 83 -7.336 8.736 7.997 659 1HG GLU 83 2HG GLU 83 -6.657 10.708 8.922 660 2HG GLU 83 1HG GLU 83 -6.738 11.145 7.219 661 H PHE 84 H PHE 84 -8.168 7.734 4.465 662 HA PHE 84 HA PHE 84 -9.735 5.618 5.788 663 1HB PHE 84 2HB PHE 84 -9.499 6.421 2.931 664 2HB PHE 84 1HB PHE 84 -9.689 4.706 3.294 665 HD1 PHE 84 HD1 PHE 84 -11.719 3.895 4.399 666 HD2 PHE 84 HD2 PHE 84 -11.269 7.978 3.300 667 HE1 PHE 84 HE1 PHE 84 -14.136 4.241 4.707 668 HE2 PHE 84 HE2 PHE 84 -13.682 8.329 3.595 669 HZ PHE 84 HZ PHE 84 -15.120 6.464 4.313 670 H TYR 85 H TYR 85 -8.809 3.380 4.496 671 HA TYR 85 HA TYR 85 -5.932 3.493 4.561 672 1HB TYR 85 2HB TYR 85 -5.560 2.047 6.420 673 2HB TYR 85 1HB TYR 85 -6.543 3.407 6.951 674 HD1 TYR 85 HD1 TYR 85 -9.113 3.004 6.965 675 HD2 TYR 85 HD2 TYR 85 -6.210 -0.099 6.940 676 HE1 TYR 85 HE1 TYR 85 -10.774 1.453 7.853 677 HE2 TYR 85 HE2 TYR 85 -7.865 -1.663 7.833 678 HH TYR 85 HH TYR 85 -9.953 -1.597 9.123 679 H ILE 86 H ILE 86 -4.924 1.957 3.544 680 HA ILE 86 HA ILE 86 -6.432 -0.390 2.531 681 HB ILE 86 HB ILE 86 -4.083 1.164 1.411 682 1HG1 ILE 86 2HG1 ILE 86 -5.488 1.054 -0.671 683 2HG1 ILE 86 1HG1 ILE 86 -6.758 0.313 0.297 684 1HG2 ILE 86 1HG2 ILE 86 -3.536 -1.250 1.387 685 2HG2 ILE 86 2HG2 ILE 86 -3.673 -0.536 -0.219 686 3HG2 ILE 86 3HG2 ILE 86 -4.982 -1.528 0.416 687 1HD1 ILE 86 1HD1 ILE 86 -5.605 3.062 0.692 688 2HD1 ILE 86 2HD1 ILE 86 -6.864 2.316 1.679 689 3HD1 ILE 86 3HD1 ILE 86 -7.168 2.668 -0.022 690 H GLU 87 H GLU 87 -5.975 -2.053 3.931 691 HA GLU 87 HA GLU 87 -3.274 -2.165 5.076 692 1HB GLU 87 2HB GLU 87 -5.165 -2.095 6.685 693 2HB GLU 87 1HB GLU 87 -5.754 -3.616 6.023 694 1HG GLU 87 2HG GLU 87 -3.761 -4.756 6.745 695 2HG GLU 87 1HG GLU 87 -3.043 -3.238 7.278 696 H ILE 88 H ILE 88 -1.928 -3.436 4.079 697 HA ILE 88 HA ILE 88 -2.904 -5.997 2.982 698 HB ILE 88 HB ILE 88 -0.502 -4.485 1.944 699 1HG1 ILE 88 2HG1 ILE 88 -3.278 -4.485 0.739 700 2HG1 ILE 88 1HG1 ILE 88 -2.586 -3.140 1.638 701 1HG2 ILE 88 1HG2 ILE 88 -0.807 -5.934 -0.026 702 2HG2 ILE 88 2HG2 ILE 88 -2.155 -6.730 0.786 703 3HG2 ILE 88 3HG2 ILE 88 -0.527 -6.858 1.449 704 1HD1 ILE 88 1HD1 ILE 88 -1.529 -4.272 -0.938 705 2HD1 ILE 88 2HD1 ILE 88 -0.813 -2.938 -0.031 706 3HD1 ILE 88 3HD1 ILE 88 -2.419 -2.762 -0.743 707 H THR 89 H THR 89 -1.433 -7.759 3.185 708 HA THR 89 HA THR 89 1.025 -7.313 4.658 709 HB THR 89 HB THR 89 -0.778 -7.831 6.364 710 HG1 THR 89 HG1 THR 89 1.613 -8.448 6.453 711 1HG2 THR 89 1HG2 THR 89 -0.709 -10.535 5.026 712 2HG2 THR 89 2HG2 THR 89 -2.080 -9.426 5.062 713 3HG2 THR 89 3HG2 THR 89 -1.506 -10.169 6.555 714 H GLU 90 H GLU 90 2.139 -9.582 4.826 715 HA GLU 90 HA GLU 90 2.765 -10.535 2.335 716 1HB GLU 90 2HB GLU 90 4.049 -10.969 4.378 717 2HB GLU 90 1HB GLU 90 2.779 -12.035 4.957 718 1HG GLU 90 2HG GLU 90 3.202 -13.511 3.018 719 2HG GLU 90 1HG GLU 90 4.562 -12.472 2.574 720 H ILE 91 H ILE 91 1.815 -11.744 0.898 721 HA ILE 91 HA ILE 91 -0.904 -12.328 1.015 722 HB ILE 91 HB ILE 91 0.228 -11.857 -1.068 723 1HG1 ILE 91 2HG1 ILE 91 -0.871 -14.678 -1.054 724 2HG1 ILE 91 1HG1 ILE 91 -1.820 -13.201 -1.196 725 1HG2 ILE 91 1HG2 ILE 91 1.740 -13.482 -2.115 726 2HG2 ILE 91 2HG2 ILE 91 1.673 -14.467 -0.655 727 3HG2 ILE 91 3HG2 ILE 91 2.381 -12.853 -0.597 728 1HD1 ILE 91 1HD1 ILE 91 0.226 -14.179 -3.176 729 2HD1 ILE 91 2HD1 ILE 91 -0.736 -12.707 -3.321 730 3HD1 ILE 91 3HD1 ILE 91 -1.526 -14.283 -3.350 731 H ASP 92 H ASP 92 -2.056 -14.215 1.044 732 HA ASP 92 HA ASP 92 -2.576 -16.440 1.177 733 1HB ASP 92 2HB ASP 92 -0.049 -16.698 0.337 734 2HB ASP 92 1HB ASP 92 0.121 -17.373 1.929 735 H LYS 93 H LYS 93 -2.169 -18.329 2.774 736 HA LYS 93 HA LYS 93 -1.882 -17.157 5.423 737 1HB LYS 93 2HB LYS 93 -3.717 -19.297 4.431 738 2HB LYS 93 1HB LYS 93 -3.225 -19.309 6.113 739 1HG LYS 93 2HG LYS 93 -5.260 -18.204 6.149 740 2HG LYS 93 1HG LYS 93 -4.086 -16.890 6.176 741 1HD LYS 93 2HD LYS 93 -4.758 -17.607 3.465 742 2HD LYS 93 1HD LYS 93 -6.212 -17.235 4.392 743 1HE LYS 93 2HE LYS 93 -3.782 -15.482 4.060 744 2HE LYS 93 1HE LYS 93 -5.370 -15.227 3.340 745 1HZ LYS 93 1HZ LYS 93 -5.025 -13.839 5.285 746 2HZ LYS 93 2HZ LYS 93 -4.769 -15.197 6.253 747 3HZ LYS 93 3HZ LYS 93 -6.294 -14.926 5.551 748 H ASN 94 H ASN 94 -0.007 -18.427 3.485 749 HA ASN 94 HA ASN 94 0.881 -20.918 4.315 750 1HB ASN 94 2HB ASN 94 1.691 -19.625 2.310 751 2HB ASN 94 1HB ASN 94 2.682 -18.669 3.407 752 1HD2 ASN 94 1HD2 ASN 94 2.220 -21.736 1.899 753 2HD2 ASN 94 2HD2 ASN 94 3.757 -22.421 2.332 754 H ALA 95 H ALA 95 1.716 -17.725 5.561 755 HA ALA 95 HA ALA 95 3.158 -18.970 7.789 756 1HB ALA 95 1HB ALA 95 4.319 -17.186 6.552 757 2HB ALA 95 2HB ALA 95 4.051 -16.756 8.241 758 3HB ALA 95 3HB ALA 95 3.027 -16.064 6.982 759 H ASP 96 H ASP 96 0.241 -18.967 7.443 760 HA ASP 96 HA ASP 96 -1.703 -18.614 8.536 761 1HB ASP 96 2HB ASP 96 -0.125 -19.379 10.464 762 2HB ASP 96 1HB ASP 96 -0.198 -17.700 10.973 763 H SER 97 H SER 97 -2.497 -16.691 10.422 764 HA SER 97 HA SER 97 -1.741 -14.131 9.290 765 1HB SER 97 2HB SER 97 -4.543 -15.263 9.253 766 2HB SER 97 1HB SER 97 -4.140 -13.593 8.909 767 HG SER 97 HG SER 97 -2.558 -15.117 7.426 768 H LEU 98 H LEU 98 -1.709 -15.667 11.908 769 HA LEU 98 HA LEU 98 -3.261 -13.801 13.561 770 1HB LEU 98 2HB LEU 98 -3.208 -16.520 13.646 771 2HB LEU 98 1HB LEU 98 -1.975 -16.136 14.828 772 HG LEU 98 HG LEU 98 -4.186 -16.501 15.848 773 1HD1 LEU 98 1HD1 LEU 98 -4.229 -14.526 17.258 774 2HD1 LEU 98 2HD1 LEU 98 -3.233 -13.652 16.093 775 3HD1 LEU 98 3HD1 LEU 98 -2.568 -15.038 16.957 776 1HD2 LEU 98 1HD2 LEU 98 -5.966 -14.859 15.527 777 2HD2 LEU 98 2HD2 LEU 98 -5.575 -15.693 14.023 778 3HD2 LEU 98 3HD2 LEU 98 -4.998 -14.050 14.294 779 H GLU 99 H GLU 99 -2.260 -12.446 14.941 780 HA GLU 99 HA GLU 99 0.510 -11.929 14.673 781 1HB GLU 99 2HB GLU 99 -1.383 -10.953 16.823 782 2HB GLU 99 1HB GLU 99 0.157 -10.229 16.383 783 1HG GLU 99 2HG GLU 99 -0.715 -9.629 14.206 784 2HG GLU 99 1HG GLU 99 -2.246 -10.423 14.580 785 H HIS 100 H HIS 100 2.221 -12.549 15.908 786 HA HIS 100 HA HIS 100 1.772 -14.667 17.838 787 1HB HIS 100 2HB HIS 100 4.351 -13.440 16.827 788 2HB HIS 100 1HB HIS 100 4.253 -14.819 17.914 789 HD1 HIS 100 HD1 HIS 100 1.933 -16.305 16.352 790 HD2 HIS 100 HD2 HIS 100 5.422 -14.772 14.675 791 HE1 HIS 100 HE1 HIS 100 2.293 -17.600 14.226 792 HE2 HIS 100 HE2 HIS 100 4.506 -16.788 13.331 793 H HIS 101 H HIS 101 0.659 -13.345 19.373 794 HA HIS 101 HA HIS 101 0.411 -11.995 21.179 795 1HB HIS 101 2HB HIS 101 2.040 -13.789 21.979 796 2HB HIS 101 1HB HIS 101 3.306 -12.583 21.781 797 HD1 HIS 101 HD1 HIS 101 0.051 -13.041 23.676 798 HD2 HIS 101 HD2 HIS 101 3.659 -10.990 23.965 799 HE1 HIS 101 HE1 HIS 101 0.017 -11.925 25.929 800 HE2 HIS 101 HE2 HIS 101 2.299 -10.889 26.169 801 H HIS 102 H HIS 102 0.175 -10.144 19.828 802 HA HIS 102 HA HIS 102 2.524 -8.630 19.093 803 1HB HIS 102 2HB HIS 102 0.591 -8.888 17.561 804 2HB HIS 102 1HB HIS 102 -0.397 -7.962 18.684 805 HD1 HIS 102 HD1 HIS 102 -0.767 -5.738 17.695 806 HD2 HIS 102 HD2 HIS 102 3.118 -7.079 17.070 807 HE1 HIS 102 HE1 HIS 102 0.419 -3.857 16.510 808 HE2 HIS 102 HE2 HIS 102 2.698 -4.787 15.940 809 H HIS 103 H HIS 103 3.409 -7.875 20.973 810 HA HIS 103 HA HIS 103 2.116 -6.402 22.969 811 1HB HIS 103 2HB HIS 103 4.380 -7.254 23.256 812 2HB HIS 103 1HB HIS 103 4.964 -6.244 21.942 813 HD1 HIS 103 HD1 HIS 103 3.797 -6.055 25.518 814 HD2 HIS 103 HD2 HIS 103 5.612 -3.648 22.648 815 HE1 HIS 103 HE1 HIS 103 4.609 -4.019 26.752 816 HE2 HIS 103 HE2 HIS 103 5.737 -2.590 25.006 817 H HIS 104 H HIS 104 1.469 -4.312 23.121 818 HA HIS 104 HA HIS 104 1.518 -2.755 20.651 819 1HB HIS 104 2HB HIS 104 -0.108 -2.627 23.161 820 2HB HIS 104 1HB HIS 104 0.001 -1.210 22.121 821 HD1 HIS 104 HD1 HIS 104 -1.775 -4.378 22.512 822 HD2 HIS 104 HD2 HIS 104 -0.964 -1.711 19.423 823 HE1 HIS 104 HE1 HIS 104 -3.399 -4.942 20.679 824 HE2 HIS 104 HE2 HIS 104 -2.731 -3.470 18.748 825 H HIS 105 H HIS 105 2.631 -0.974 20.343 826 HA HIS 105 HA HIS 105 3.826 0.447 22.587 827 1HB HIS 105 2HB HIS 105 5.505 -1.263 21.894 828 2HB HIS 105 1HB HIS 105 5.482 -0.587 20.269 829 HD1 HIS 105 HD1 HIS 105 6.789 0.011 23.703 830 HD2 HIS 105 HD2 HIS 105 6.801 1.894 19.995 831 HE1 HIS 105 HE1 HIS 105 8.513 1.831 23.870 832 HE2 HIS 105 HE2 HIS 105 8.364 3.074 21.689
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