1 PRO 42 N 0.0190 0.0131 0.0195 2 PRO 42 CA 0.0223 0.0114 0.0161 3 PRO 42 C 0.0207 0.0102 0.0134 4 PRO 42 O 0.0166 0.0099 0.0124 5 PRO 42 CB 0.0223 0.0101 0.0133 6 PRO 42 CG 0.0174 0.0104 0.0137 7 PRO 42 CD 0.0161 0.0126 0.0182 8 PRO 42 H 0.0205 0.0143 0.0224 9 PRO 42 HA 0.0257 0.0119 0.0174 10 PRO 42 HB3 0.0250 0.0106 0.0145 11 PRO 42 HB2 0.0232 0.0086 0.0100 12 PRO 42 HG3 0.0172 0.0101 0.0131 13 PRO 42 HG2 0.0150 0.0095 0.0115 14 PRO 42 HD2 0.0125 0.0127 0.0184 15 PRO 42 HD3 0.0167 0.0135 0.0204 16 ARG 43 N 0.0241 0.0095 0.0120 17 ARG 43 CA 0.0231 0.0084 0.0096 18 ARG 43 C 0.0209 0.0065 0.0053 19 ARG 43 O 0.0176 0.0060 0.0041 20 ARG 43 CB 0.0277 0.0081 0.0092 21 ARG 43 CG 0.0268 0.0071 0.0071 22 ARG 43 CD 0.0313 0.0065 0.0061 23 ARG 43 NE 0.0336 0.0047 0.0023 24 ARG 43 CZ 0.0358 0.0032 -0.0009 25 ARG 43 NH1 0.0364 0.0032 -0.0008 26 ARG 43 NH2 0.0374 0.0017 -0.0041 27 ARG 43 H 0.0274 0.0098 0.0129 28 ARG 43 HA 0.0207 0.0093 0.0115 29 ARG 43 HB3 0.0302 0.0072 0.0074 30 ARG 43 HB2 0.0292 0.0095 0.0123 31 ARG 43 HG3 0.0244 0.0080 0.0089 32 ARG 43 HG2 0.0250 0.0058 0.0041 33 ARG 43 HD3 0.0338 0.0077 0.0087 34 ARG 43 HD2 0.0305 0.0065 0.0059 35 ARG 43 HH22 0.0393 0.0005 -0.0065 36 ARG 43 HH21 0.0367 0.0016 -0.0044 37 ARG 43 HH12 0.0377 0.0021 -0.0033 38 ARG 43 HH11 0.0357 0.0045 0.0018 39 ARG 43 HE 0.0331 0.0046 0.0020 40 THR 44 N 0.0182 0.0031 0.0026 41 THR 44 CA 0.0173 0.0015 0.0006 42 THR 44 C 0.0156 0.0015 0.0004 43 THR 44 O 0.0164 0.0020 0.0011 44 THR 44 CB 0.0196 0.0002 -0.0006 45 THR 44 OG1 0.0212 0.0003 -0.0003 46 THR 44 CG2 0.0189 -0.0015 -0.0027 47 THR 44 H 0.0191 0.0034 0.0031 48 THR 44 HA 0.0164 0.0012 0.0001 49 THR 44 HB 0.0206 0.0005 -0.0001 50 THR 44 HG1 0.0204 -0.0001 -0.0008 51 THR 44 HG21 0.0205 -0.0024 -0.0035 52 THR 44 HG22 0.0178 -0.0017 -0.0030 53 THR 44 HG23 0.0179 -0.0018 -0.0032 54 VAL 45 N 0.0135 0.0010 -0.0005 55 VAL 45 CA 0.0116 0.0009 -0.0008 56 VAL 45 C 0.0108 -0.0008 -0.0029 57 VAL 45 O 0.0112 -0.0017 -0.0039 58 VAL 45 CB 0.0094 0.0021 0.0003 59 VAL 45 CG1 0.0101 0.0038 0.0024 60 VAL 45 CG2 0.0078 0.0018 -0.0003 61 VAL 45 H 0.0130 0.0006 -0.0010 62 VAL 45 HA 0.0124 0.0011 -0.0004 63 VAL 45 HB 0.0081 0.0021 0.0001 64 VAL 45 HG11 0.0086 0.0047 0.0033 65 VAL 45 HG12 0.0113 0.0040 0.0028 66 VAL 45 HG13 0.0112 0.0040 0.0028 67 VAL 45 HG21 0.0063 0.0027 0.0006 68 VAL 45 HG22 0.0089 0.0018 -0.0001 69 VAL 45 HG23 0.0071 0.0006 -0.0017 70 MET 46 N 0.0095 -0.0029 -0.0032 71 MET 46 CA 0.0089 -0.0035 -0.0051 72 MET 46 C 0.0069 -0.0028 -0.0054 73 MET 46 O 0.0062 -0.0021 -0.0047 74 MET 46 CB 0.0096 -0.0044 -0.0061 75 MET 46 CG 0.0115 -0.0053 -0.0062 76 MET 46 SD 0.0123 -0.0063 -0.0074 77 MET 46 CE 0.0125 -0.0056 -0.0059 78 MET 46 H 0.0095 -0.0027 -0.0027 79 MET 46 HA 0.0093 -0.0040 -0.0055 80 MET 46 HB3 0.0088 -0.0047 -0.0074 81 MET 46 HB2 0.0093 -0.0040 -0.0055 82 MET 46 HG3 0.0123 -0.0050 -0.0049 83 MET 46 HG2 0.0117 -0.0057 -0.0068 84 MET 46 HE1 0.0131 -0.0062 -0.0065 85 MET 46 HE2 0.0133 -0.0054 -0.0047 86 MET 46 HE3 0.0112 -0.0049 -0.0057 87 VAL 47 N 0.0060 -0.0030 -0.0065 88 VAL 47 CA 0.0042 -0.0024 -0.0071 89 VAL 47 C 0.0038 -0.0032 -0.0090 90 VAL 47 O 0.0045 -0.0039 -0.0099 91 VAL 47 CB 0.0033 -0.0017 -0.0065 92 VAL 47 CG1 0.0013 -0.0012 -0.0072 93 VAL 47 CG2 0.0037 -0.0009 -0.0045 94 VAL 47 H 0.0067 -0.0035 -0.0070 95 VAL 47 HA 0.0036 -0.0019 -0.0066 96 VAL 47 HB 0.0039 -0.0022 -0.0070 97 VAL 47 HG11 0.0008 -0.0007 -0.0066 98 VAL 47 HG12 0.0010 -0.0017 -0.0085 99 VAL 47 HG13 0.0007 -0.0007 -0.0068 100 VAL 47 HG21 0.0030 -0.0004 -0.0041 101 VAL 47 HG22 0.0033 -0.0005 -0.0039 102 VAL 47 HG23 0.0051 -0.0013 -0.0040 103 ASN 48 N 0.0027 -0.0008 -0.0090 104 ASN 48 CA 0.0019 -0.0018 -0.0098 105 ASN 48 C 0.0021 -0.0007 -0.0096 106 ASN 48 O 0.0019 0.0010 -0.0099 107 ASN 48 CB 0.0004 -0.0017 -0.0114 108 ASN 48 CG -0.0005 -0.0031 -0.0123 109 ASN 48 OD1 -0.0002 -0.0036 -0.0120 110 ASN 48 ND2 -0.0015 -0.0037 -0.0134 111 ASN 48 H 0.0022 0.0002 -0.0095 112 ASN 48 HA 0.0022 -0.0032 -0.0095 113 ASN 48 HB3 0.0000 -0.0003 -0.0118 114 ASN 48 HB2 0.0004 -0.0021 -0.0114 115 ASN 48 HD22 -0.0022 -0.0045 -0.0140 116 ASN 48 HD21 -0.0018 -0.0031 -0.0137 117 LEU 49 N 0.0027 -0.0017 -0.0090 118 LEU 49 CA 0.0031 -0.0009 -0.0086 119 LEU 49 C 0.0020 -0.0006 -0.0098 120 LEU 49 O 0.0022 0.0004 -0.0096 121 LEU 49 CB 0.0042 -0.0021 -0.0074 122 LEU 49 CG 0.0055 -0.0021 -0.0060 123 LEU 49 CD1 0.0065 -0.0032 -0.0050 124 LEU 49 CD2 0.0060 -0.0001 -0.0055 125 LEU 49 H 0.0028 -0.0031 -0.0088 126 LEU 49 HA 0.0035 0.0005 -0.0082 127 LEU 49 HB3 0.0043 -0.0015 -0.0073 128 LEU 49 HB2 0.0038 -0.0035 -0.0078 129 LEU 49 HG 0.0054 -0.0029 -0.0062 130 LEU 49 HD11 0.0075 -0.0027 -0.0039 131 LEU 49 HD12 0.0065 -0.0047 -0.0050 132 LEU 49 HD13 0.0064 -0.0030 -0.0051 133 LEU 49 HD21 0.0071 -0.0001 -0.0044 134 LEU 49 HD22 0.0059 0.0008 -0.0057 135 LEU 49 HD23 0.0055 0.0005 -0.0061 136 ASN 50 N -0.0011 -0.0008 -0.0097 137 ASN 50 CA -0.0021 -0.0002 -0.0114 138 ASN 50 C -0.0031 0.0007 -0.0107 139 ASN 50 O -0.0027 0.0003 -0.0107 140 ASN 50 CB -0.0010 -0.0012 -0.0130 141 ASN 50 CG -0.0002 -0.0019 -0.0143 142 ASN 50 OD1 -0.0008 -0.0015 -0.0144 143 ASN 50 ND2 0.0011 -0.0030 -0.0153 144 ASN 50 H -0.0000 -0.0017 -0.0095 145 ASN 50 HA -0.0028 0.0003 -0.0120 146 ASN 50 HB3 -0.0016 -0.0008 -0.0141 147 ASN 50 HB2 -0.0000 -0.0019 -0.0124 148 ASN 50 HD22 0.0015 -0.0034 -0.0161 149 ASN 50 HD21 0.0015 -0.0034 -0.0152 150 ILE 51 N -0.0045 0.0018 -0.0101 151 ILE 51 CA -0.0057 0.0028 -0.0092 152 ILE 51 C -0.0062 0.0031 -0.0104 153 ILE 51 O -0.0064 0.0032 -0.0122 154 ILE 51 CB -0.0073 0.0041 -0.0088 155 ILE 51 CG1 -0.0070 0.0040 -0.0074 156 ILE 51 CG2 -0.0086 0.0052 -0.0079 157 ILE 51 CD1 -0.0083 0.0050 -0.0076 158 ILE 51 H -0.0047 0.0020 -0.0100 159 ILE 51 HA -0.0052 0.0025 -0.0077 160 ILE 51 HB -0.0077 0.0043 -0.0102 161 ILE 51 HG13 -0.0059 0.0031 -0.0077 162 ILE 51 HG12 -0.0068 0.0040 -0.0058 163 ILE 51 HG21 -0.0096 0.0060 -0.0076 164 ILE 51 HG22 -0.0090 0.0055 -0.0090 165 ILE 51 HG23 -0.0082 0.0050 -0.0065 166 ILE 51 HD11 -0.0081 0.0049 -0.0064 167 ILE 51 HD12 -0.0083 0.0049 -0.0090 168 ILE 51 HD13 -0.0095 0.0059 -0.0075 169 HIS 52 N -0.0071 0.0040 -0.0046 170 HIS 52 CA -0.0042 0.0043 -0.0067 171 HIS 52 C -0.0026 0.0053 -0.0072 172 HIS 52 O -0.0037 0.0044 -0.0071 173 HIS 52 CB -0.0044 0.0016 -0.0091 174 HIS 52 CG -0.0051 0.0010 -0.0091 175 HIS 52 ND1 -0.0059 0.0026 -0.0069 176 HIS 52 CD2 -0.0052 -0.0010 -0.0109 177 HIS 52 CE1 -0.0063 0.0015 -0.0076 178 HIS 52 NE2 -0.0059 -0.0006 -0.0100 179 HIS 52 H -0.0083 0.0026 -0.0049 180 HIS 52 HA -0.0031 0.0059 -0.0062 181 HIS 52 HB3 -0.0023 0.0016 -0.0109 182 HIS 52 HB2 -0.0058 -0.0000 -0.0095 183 HIS 52 HD1 -0.0061 0.0043 -0.0051 184 HIS 52 HD2 -0.0048 -0.0026 -0.0129 185 HIS 52 HE1 -0.0069 0.0024 -0.0063 186 ASN 53 N 0.0001 0.0071 -0.0077 187 ASN 53 CA 0.0020 0.0081 -0.0084 188 ASN 53 C 0.0036 0.0064 -0.0114 189 ASN 53 O 0.0049 0.0062 -0.0127 190 ASN 53 CB 0.0041 0.0111 -0.0073 191 ASN 53 CG 0.0028 0.0130 -0.0044 192 ASN 53 OD1 0.0039 0.0147 -0.0036 193 ASN 53 ND2 0.0004 0.0126 -0.0027 194 ASN 53 H 0.0011 0.0076 -0.0081 195 ASN 53 HA 0.0008 0.0079 -0.0075 196 ASN 53 HB3 0.0059 0.0116 -0.0083 197 ASN 53 HB2 0.0049 0.0115 -0.0076 198 ASN 53 HD22 -0.0004 0.0139 -0.0008 199 ASN 53 HD21 -0.0004 0.0111 -0.0034 200 ARG 54 N 0.0039 0.0076 -0.0019 201 ARG 54 CA 0.0072 0.0018 -0.0065 202 ARG 54 C 0.0145 -0.0024 -0.0081 203 ARG 54 O 0.0130 -0.0058 -0.0121 204 ARG 54 CB -0.0002 -0.0012 -0.0126 205 ARG 54 CG 0.0022 -0.0080 -0.0186 206 ARG 54 CD 0.0052 -0.0084 -0.0178 207 ARG 54 NE -0.0016 -0.0051 -0.0171 208 ARG 54 CZ -0.0009 -0.0033 -0.0149 209 ARG 54 NH1 0.0067 -0.0048 -0.0135 210 ARG 54 NH2 -0.0077 0.0001 -0.0141 211 ARG 54 H 0.0010 0.0068 -0.0038 212 ARG 54 HA 0.0096 0.0029 -0.0045 213 ARG 54 HB3 -0.0036 -0.0013 -0.0140 214 ARG 54 HB2 -0.0047 0.0019 -0.0110 215 ARG 54 HG3 0.0067 -0.0114 -0.0204 216 ARG 54 HG2 -0.0036 -0.0097 -0.0226 217 ARG 54 HD3 0.0101 -0.0058 -0.0133 218 ARG 54 HD2 0.0082 -0.0133 -0.0217 219 ARG 54 HH22 -0.0079 0.0016 -0.0126 220 ARG 54 HH21 -0.0133 0.0016 -0.0148 221 ARG 54 HH12 0.0076 -0.0034 -0.0117 222 ARG 54 HH11 0.0118 -0.0073 -0.0141 223 ARG 54 HE -0.0076 -0.0041 -0.0184 224 ASN 55 N 0.0223 -0.0022 -0.0048 225 ASN 55 CA 0.0303 -0.0068 -0.0064 226 ASN 55 C 0.0326 -0.0066 -0.0052 227 ASN 55 O 0.0383 -0.0108 -0.0074 228 ASN 55 CB 0.0305 -0.0137 -0.0135 229 ASN 55 CG 0.0290 -0.0149 -0.0152 230 ASN 55 OD1 0.0263 -0.0105 -0.0118 231 ASN 55 ND2 0.0308 -0.0209 -0.0207 232 ASN 55 H 0.0227 0.0009 -0.0014 233 ASN 55 HA 0.0353 -0.0055 -0.0030 234 ASN 55 HB3 0.0367 -0.0169 -0.0142 235 ASN 55 HB2 0.0259 -0.0155 -0.0170 236 ASN 55 HD22 0.0300 -0.0218 -0.0219 237 ASN 55 HD21 0.0333 -0.0244 -0.0234 238 THR 56 N 0.0187 0.0001 -0.0096 239 THR 56 CA 0.0150 0.0053 -0.0082 240 THR 56 C 0.0215 0.0104 -0.0083 241 THR 56 O 0.0192 0.0149 -0.0072 242 THR 56 CB 0.0091 0.0113 -0.0064 243 THR 56 OG1 0.0133 0.0157 -0.0063 244 THR 56 CG2 0.0017 0.0068 -0.0061 245 THR 56 H 0.0173 0.0019 -0.0091 246 THR 56 HA 0.0115 0.0014 -0.0084 247 THR 56 HB 0.0067 0.0158 -0.0053 248 THR 56 HG1 0.0104 0.0208 -0.0050 249 THR 56 HG21 -0.0017 0.0111 -0.0048 250 THR 56 HG22 -0.0025 0.0040 -0.0059 251 THR 56 HG23 0.0037 0.0019 -0.0071 252 TYR 66 N 0.0018 -0.0006 -0.0008 253 TYR 66 CA 0.0020 -0.0004 -0.0009 254 TYR 66 C 0.0022 -0.0004 -0.0002 255 TYR 66 O 0.0026 0.0000 -0.0001 256 TYR 66 CB 0.0016 -0.0008 -0.0013 257 TYR 66 CG 0.0013 -0.0008 -0.0021 258 TYR 66 CD1 0.0016 -0.0004 -0.0025 259 TYR 66 CD2 0.0008 -0.0012 -0.0024 260 TYR 66 CE1 0.0014 -0.0005 -0.0032 261 TYR 66 CE2 0.0006 -0.0013 -0.0031 262 TYR 66 CZ 0.0009 -0.0009 -0.0035 263 TYR 66 OH 0.0006 -0.0010 -0.0042 264 TYR 66 H 0.0014 -0.0010 -0.0009 265 TYR 66 HA 0.0023 -0.0000 -0.0012 266 TYR 66 HB3 0.0017 -0.0006 -0.0014 267 TYR 66 HB2 0.0012 -0.0012 -0.0010 268 TYR 66 HD1 0.0020 -0.0001 -0.0023 269 TYR 66 HD2 0.0006 -0.0015 -0.0021 270 TYR 66 HE1 0.0016 -0.0002 -0.0035 271 TYR 66 HE2 0.0002 -0.0016 -0.0033 272 TYR 66 HH 0.0003 -0.0013 -0.0044 273 TYR 67 N 0.0020 -0.0008 0.0004 274 TYR 67 CA 0.0022 -0.0007 0.0011 275 TYR 67 C 0.0028 -0.0003 0.0015 276 TYR 67 O 0.0030 -0.0001 0.0019 277 TYR 67 CB 0.0018 -0.0013 0.0016 278 TYR 67 CG 0.0018 -0.0013 0.0020 279 TYR 67 CD1 0.0017 -0.0014 0.0016 280 TYR 67 CD2 0.0020 -0.0013 0.0027 281 TYR 67 CE1 0.0017 -0.0014 0.0019 282 TYR 67 CE2 0.0020 -0.0014 0.0031 283 TYR 67 CZ 0.0019 -0.0014 0.0026 284 TYR 67 OH 0.0020 -0.0014 0.0030 285 TYR 67 H 0.0017 -0.0011 0.0004 286 TYR 67 HA 0.0022 -0.0007 0.0011 287 TYR 67 HB3 0.0014 -0.0016 0.0014 288 TYR 67 HB2 0.0019 -0.0013 0.0021 289 TYR 67 HD1 0.0015 -0.0014 0.0010 290 TYR 67 HD2 0.0021 -0.0013 0.0031 291 TYR 67 HE1 0.0016 -0.0015 0.0016 292 TYR 67 HE2 0.0022 -0.0014 0.0036 293 TYR 67 HH 0.0020 -0.0016 0.0035 294 ASN 68 N 0.0032 0.0010 0.0016 295 ASN 68 CA 0.0036 0.0019 0.0018 296 ASN 68 C 0.0041 0.0021 0.0013 297 ASN 68 O 0.0042 0.0026 0.0017 298 ASN 68 CB 0.0040 0.0023 0.0017 299 ASN 68 CG 0.0037 0.0024 0.0024 300 ASN 68 OD1 0.0034 0.0026 0.0031 301 ASN 68 ND2 0.0038 0.0024 0.0021 302 ASN 68 H 0.0034 0.0008 0.0011 303 ASN 68 HA 0.0034 0.0021 0.0025 304 ASN 68 HB3 0.0044 0.0029 0.0017 305 ASN 68 HB2 0.0042 0.0020 0.0011 306 ASN 68 HD22 0.0035 0.0024 0.0025 307 ASN 68 HD21 0.0041 0.0023 0.0015 308 ARG 69 N 0.0043 0.0017 0.0005 309 ARG 69 CA 0.0048 0.0019 -0.0001 310 ARG 69 C 0.0046 0.0016 -0.0001 311 ARG 69 O 0.0050 0.0017 -0.0005 312 ARG 69 CB 0.0051 0.0016 -0.0009 313 ARG 69 CG 0.0054 0.0019 -0.0011 314 ARG 69 CD 0.0055 0.0014 -0.0018 315 ARG 69 NE 0.0058 0.0011 -0.0025 316 ARG 69 CZ 0.0058 0.0005 -0.0032 317 ARG 69 NH1 0.0060 0.0003 -0.0038 318 ARG 69 NH2 0.0055 0.0000 -0.0032 319 ARG 69 H 0.0042 0.0013 0.0003 320 ARG 69 HA 0.0051 0.0026 0.0001 321 ARG 69 HB3 0.0054 0.0017 -0.0014 322 ARG 69 HB2 0.0048 0.0009 -0.0011 323 ARG 69 HG3 0.0051 0.0020 -0.0005 324 ARG 69 HG2 0.0058 0.0025 -0.0011 325 ARG 69 HD3 0.0051 0.0009 -0.0016 326 ARG 69 HD2 0.0058 0.0017 -0.0019 327 ARG 69 HH22 0.0055 -0.0005 -0.0037 328 ARG 69 HH21 0.0053 0.0002 -0.0028 329 ARG 69 HH12 0.0060 -0.0002 -0.0043 330 ARG 69 HH11 0.0062 0.0006 -0.0038 331 ARG 69 HE 0.0060 0.0015 -0.0026 332 SER 70 N 0.0040 0.0024 -0.0004 333 SER 70 CA 0.0039 0.0022 -0.0001 334 SER 70 C 0.0038 0.0027 0.0002 335 SER 70 O 0.0037 0.0030 0.0005 336 SER 70 CB 0.0037 0.0017 0.0002 337 SER 70 OG 0.0035 0.0015 0.0005 338 SER 70 H 0.0039 0.0023 -0.0002 339 SER 70 HA 0.0040 0.0021 -0.0005 340 SER 70 HB3 0.0036 0.0017 0.0004 341 SER 70 HB2 0.0037 0.0013 -0.0001 342 SER 70 HG 0.0035 0.0011 0.0003 343 THR 71 N 0.0038 0.0027 0.0003 344 THR 71 CA 0.0037 0.0030 0.0007 345 THR 71 C 0.0034 0.0027 0.0013 346 THR 71 O 0.0033 0.0030 0.0017 347 THR 71 CB 0.0037 0.0030 0.0006 348 THR 71 OG1 0.0036 0.0024 0.0005 349 THR 71 CG2 0.0040 0.0032 0.0000 350 THR 71 H 0.0038 0.0024 0.0000 351 THR 71 HA 0.0037 0.0034 0.0007 352 THR 71 HB 0.0036 0.0032 0.0009 353 THR 71 HG1 0.0035 0.0023 0.0009 354 THR 71 HG21 0.0040 0.0032 -0.0001 355 THR 71 HG22 0.0040 0.0037 0.0000 356 THR 71 HG23 0.0041 0.0030 -0.0003 357 SER 72 N 0.0034 0.0030 0.0011 358 SER 72 CA 0.0033 0.0026 0.0018 359 SER 72 C 0.0034 0.0022 0.0016 360 SER 72 O 0.0034 0.0014 0.0015 361 SER 72 CB 0.0033 0.0020 0.0020 362 SER 72 OG 0.0034 0.0016 0.0014 363 SER 72 H 0.0034 0.0027 0.0006 364 SER 72 HA 0.0032 0.0030 0.0023 365 SER 72 HB3 0.0033 0.0024 0.0023 366 SER 72 HB2 0.0033 0.0016 0.0025 367 SER 72 HG 0.0035 0.0015 0.0011 368 PRO 73 N 0.0034 0.0026 0.0014 369 PRO 73 CA 0.0034 0.0022 0.0011 370 PRO 73 C 0.0034 0.0017 0.0017 371 PRO 73 O 0.0033 0.0018 0.0024 372 PRO 73 CB 0.0034 0.0029 0.0008 373 PRO 73 CG 0.0033 0.0036 0.0014 374 PRO 73 CD 0.0033 0.0034 0.0015 375 PRO 73 HA 0.0035 0.0019 0.0006 376 PRO 73 HB3 0.0035 0.0031 0.0002 377 PRO 73 HB2 0.0034 0.0028 0.0008 378 PRO 73 HG3 0.0033 0.0042 0.0012 379 PRO 73 HG2 0.0032 0.0035 0.0019 380 PRO 73 HD2 0.0032 0.0036 0.0021 381 PRO 73 HD3 0.0033 0.0038 0.0011 382 TRP 74 N 0.0024 -0.0003 0.0029 383 TRP 74 CA 0.0024 -0.0010 0.0034 384 TRP 74 C 0.0024 -0.0013 0.0032 385 TRP 74 O 0.0024 -0.0010 0.0025 386 TRP 74 CB 0.0024 -0.0018 0.0034 387 TRP 74 CG 0.0024 -0.0023 0.0026 388 TRP 74 CD1 0.0024 -0.0030 0.0023 389 TRP 74 CD2 0.0024 -0.0021 0.0018 390 TRP 74 NE1 0.0023 -0.0033 0.0015 391 TRP 74 CE2 0.0023 -0.0028 0.0012 392 TRP 74 CE3 0.0024 -0.0015 0.0017 393 TRP 74 CZ2 0.0023 -0.0028 0.0004 394 TRP 74 CZ3 0.0024 -0.0015 0.0009 395 TRP 74 CH2 0.0023 -0.0021 0.0003 396 TRP 74 H 0.0024 -0.0003 0.0022 397 TRP 74 HA 0.0025 -0.0008 0.0041 398 TRP 74 HB3 0.0024 -0.0016 0.0036 399 TRP 74 HB2 0.0024 -0.0023 0.0039 400 TRP 74 HD1 0.0024 -0.0034 0.0027 401 TRP 74 HE1 0.0023 -0.0039 0.0012 402 TRP 74 HE3 0.0024 -0.0009 0.0022 403 TRP 74 HZ2 0.0023 -0.0033 -0.0001 404 TRP 74 HZ3 0.0024 -0.0009 0.0008 405 TRP 74 HH2 0.0023 -0.0021 -0.0003 406 ASN 75 N 0.0024 -0.0018 0.0038 407 ASN 75 CA 0.0024 -0.0023 0.0036 408 ASN 75 C 0.0024 -0.0033 0.0038 409 ASN 75 O 0.0024 -0.0035 0.0043 410 ASN 75 CB 0.0025 -0.0019 0.0043 411 ASN 75 CG 0.0025 -0.0009 0.0043 412 ASN 75 OD1 0.0024 -0.0005 0.0036 413 ASN 75 ND2 0.0025 -0.0005 0.0050 414 ASN 75 H 0.0025 -0.0020 0.0043 415 ASN 75 HA 0.0024 -0.0022 0.0030 416 ASN 75 HB3 0.0024 -0.0023 0.0042 417 ASN 75 HB2 0.0025 -0.0021 0.0050 418 ASN 75 HD22 0.0025 0.0001 0.0050 419 ASN 75 HD21 0.0025 -0.0009 0.0056 420 LEU 76 N 0.0037 -0.0038 0.0040 421 LEU 76 CA 0.0035 -0.0038 0.0040 422 LEU 76 C 0.0026 -0.0029 0.0041 423 LEU 76 O 0.0028 -0.0020 0.0041 424 LEU 76 CB 0.0046 -0.0037 0.0040 425 LEU 76 CG 0.0054 -0.0047 0.0040 426 LEU 76 CD1 0.0065 -0.0044 0.0040 427 LEU 76 CD2 0.0049 -0.0058 0.0039 428 LEU 76 H 0.0042 -0.0032 0.0041 429 LEU 76 HA 0.0031 -0.0046 0.0040 430 LEU 76 HB3 0.0043 -0.0036 0.0041 431 LEU 76 HB2 0.0050 -0.0029 0.0041 432 LEU 76 HG 0.0056 -0.0047 0.0040 433 LEU 76 HD11 0.0071 -0.0050 0.0040 434 LEU 76 HD12 0.0068 -0.0036 0.0040 435 LEU 76 HD13 0.0064 -0.0044 0.0040 436 LEU 76 HD21 0.0056 -0.0063 0.0039 437 LEU 76 HD22 0.0042 -0.0057 0.0040 438 LEU 76 HD23 0.0047 -0.0063 0.0039 439 HIS 77 N 0.0018 -0.0032 0.0041 440 HIS 77 CA 0.0010 -0.0024 0.0041 441 HIS 77 C 0.0010 -0.0024 0.0041 442 HIS 77 O 0.0013 -0.0033 0.0041 443 HIS 77 CB -0.0002 -0.0027 0.0041 444 HIS 77 CG -0.0003 -0.0026 0.0041 445 HIS 77 ND1 0.0002 -0.0017 0.0042 446 HIS 77 CD2 -0.0008 -0.0033 0.0041 447 HIS 77 CE1 -0.0001 -0.0019 0.0042 448 HIS 77 NE2 -0.0007 -0.0029 0.0041 449 HIS 77 H 0.0017 -0.0040 0.0041 450 HIS 77 HA 0.0012 -0.0015 0.0042 451 HIS 77 HB3 -0.0008 -0.0021 0.0042 452 HIS 77 HB2 -0.0004 -0.0035 0.0041 453 HIS 77 HD1 0.0007 -0.0011 0.0042 454 HIS 77 HD2 -0.0013 -0.0040 0.0041 455 HIS 77 HE1 0.0002 -0.0014 0.0042 456 ARG 78 N -0.0010 0.0046 0.0013 457 ARG 78 CA 0.0008 0.0066 0.0014 458 ARG 78 C -0.0023 0.0068 0.0005 459 ARG 78 O -0.0049 0.0092 -0.0008 460 ARG 78 CB 0.0023 0.0109 0.0009 461 ARG 78 CG 0.0049 0.0133 0.0012 462 ARG 78 CD 0.0065 0.0175 0.0008 463 ARG 78 NE 0.0085 0.0201 0.0008 464 ARG 78 CZ 0.0068 0.0224 -0.0002 465 ARG 78 NH1 0.0092 0.0245 0.0001 466 ARG 78 NH2 0.0029 0.0226 -0.0014 467 ARG 78 H -0.0025 0.0063 0.0005 468 ARG 78 HA 0.0033 0.0050 0.0025 469 ARG 78 HB3 -0.0003 0.0127 -0.0002 470 ARG 78 HB2 0.0039 0.0107 0.0015 471 ARG 78 HG3 0.0075 0.0115 0.0024 472 ARG 78 HG2 0.0036 0.0136 0.0008 473 ARG 78 HD3 0.0042 0.0190 -0.0002 474 ARG 78 HD2 0.0089 0.0169 0.0016 475 ARG 78 HH22 0.0018 0.0242 -0.0021 476 ARG 78 HH21 0.0009 0.0211 -0.0017 477 ARG 78 HH12 0.0079 0.0254 -0.0005 478 ARG 78 HH11 0.0121 0.0248 0.0009 479 ARG 78 HE 0.0115 0.0199 0.0017 480 ASN 79 N -0.0019 0.0043 0.0012 481 ASN 79 CA -0.0042 0.0043 0.0005 482 ASN 79 C -0.0019 0.0072 0.0005 483 ASN 79 O 0.0014 0.0063 0.0017 484 ASN 79 CB -0.0045 -0.0002 0.0013 485 ASN 79 CG -0.0067 -0.0010 0.0009 486 ASN 79 OD1 -0.0070 0.0016 0.0002 487 ASN 79 ND2 -0.0082 -0.0048 0.0013 488 ASN 79 H 0.0005 0.0026 0.0022 489 ASN 79 HA -0.0072 0.0053 -0.0006 490 ASN 79 HB3 -0.0016 -0.0013 0.0025 491 ASN 79 HB2 -0.0060 -0.0020 0.0013 492 ASN 79 HD22 -0.0099 -0.0056 0.0009 493 ASN 79 HD21 -0.0075 -0.0071 0.0019 494 GLU 80 N -0.0032 0.0098 0.0000 495 GLU 80 CA -0.0016 0.0113 -0.0003 496 GLU 80 C -0.0040 0.0107 -0.0002 497 GLU 80 O -0.0072 0.0109 -0.0002 498 GLU 80 CB -0.0008 0.0151 -0.0012 499 GLU 80 CG 0.0012 0.0167 -0.0015 500 GLU 80 CD 0.0028 0.0201 -0.0023 501 GLU 80 OE1 0.0011 0.0222 -0.0028 502 GLU 80 OE2 0.0060 0.0205 -0.0024 503 GLU 80 H -0.0057 0.0106 -0.0002 504 GLU 80 HA 0.0009 0.0101 -0.0000 505 GLU 80 HB3 -0.0032 0.0165 -0.0015 506 GLU 80 HB2 0.0007 0.0154 -0.0012 507 GLU 80 HG3 0.0032 0.0149 -0.0011 508 GLU 80 HG2 -0.0005 0.0171 -0.0016 509 ASP 81 N -0.0022 0.0101 -0.0000 510 ASP 81 CA -0.0037 0.0091 0.0002 511 ASP 81 C -0.0011 0.0103 -0.0001 512 ASP 81 O 0.0017 0.0087 0.0003 513 ASP 81 CB -0.0044 0.0052 0.0011 514 ASP 81 CG -0.0060 0.0036 0.0015 515 ASP 81 OD1 -0.0060 0.0050 0.0011 516 ASP 81 OD2 -0.0068 0.0005 0.0022 517 ASP 81 H 0.0004 0.0099 0.0000 518 ASP 81 HA -0.0063 0.0104 -0.0001 519 ASP 81 HB3 -0.0020 0.0039 0.0014 520 ASP 81 HB2 -0.0061 0.0046 0.0012 521 PRO 82 N -0.0006 0.0101 -0.0003 522 PRO 82 CA 0.0011 0.0105 -0.0007 523 PRO 82 C 0.0016 0.0087 -0.0003 524 PRO 82 O 0.0033 0.0086 -0.0006 525 PRO 82 CB 0.0002 0.0127 -0.0012 526 PRO 82 CG -0.0024 0.0127 -0.0006 527 PRO 82 CD -0.0026 0.0115 -0.0003 528 PRO 82 HA 0.0028 0.0108 -0.0012 529 PRO 82 HB3 0.0008 0.0141 -0.0017 530 PRO 82 HB2 0.0006 0.0129 -0.0013 531 PRO 82 HG3 -0.0033 0.0143 -0.0009 532 PRO 82 HG2 -0.0031 0.0116 -0.0002 533 PRO 82 HD2 -0.0042 0.0106 0.0003 534 PRO 82 HD3 -0.0027 0.0127 -0.0006 535 GLU 83 N -0.0000 0.0071 0.0004 536 GLU 83 CA 0.0001 0.0052 0.0010 537 GLU 83 C 0.0014 0.0032 0.0013 538 GLU 83 O 0.0015 0.0014 0.0018 539 GLU 83 CB -0.0024 0.0047 0.0016 540 GLU 83 CG -0.0035 0.0066 0.0013 541 GLU 83 CD -0.0022 0.0068 0.0010 542 GLU 83 OE1 -0.0020 0.0050 0.0014 543 GLU 83 OE2 -0.0014 0.0086 0.0003 544 GLU 83 H -0.0014 0.0072 0.0007 545 GLU 83 HA 0.0010 0.0056 0.0007 546 GLU 83 HB3 -0.0024 0.0031 0.0021 547 GLU 83 HB2 -0.0034 0.0046 0.0018 548 GLU 83 HG3 -0.0052 0.0062 0.0018 549 GLU 83 HG2 -0.0036 0.0082 0.0009 550 ARG 84 N 0.0016 0.0035 -0.0001 551 ARG 84 CA 0.0029 0.0015 0.0005 552 ARG 84 C 0.0055 0.0022 0.0006 553 ARG 84 O 0.0060 0.0042 0.0002 554 ARG 84 CB 0.0016 0.0005 0.0006 555 ARG 84 CG 0.0024 -0.0019 0.0011 556 ARG 84 CD 0.0010 -0.0026 0.0011 557 ARG 84 NE 0.0015 -0.0011 0.0009 558 ARG 84 CZ 0.0001 -0.0007 0.0007 559 ARG 84 NH1 0.0008 0.0008 0.0004 560 ARG 84 NH2 -0.0021 -0.0017 0.0007 561 ARG 84 H 0.0015 0.0049 -0.0003 562 ARG 84 HA 0.0028 0.0002 0.0007 563 ARG 84 HB3 0.0017 0.0018 0.0003 564 ARG 84 HB2 -0.0003 0.0003 0.0004 565 ARG 84 HG3 0.0023 -0.0033 0.0014 566 ARG 84 HG2 0.0043 -0.0017 0.0013 567 ARG 84 HD3 -0.0009 -0.0024 0.0009 568 ARG 84 HD2 0.0011 -0.0045 0.0015 569 ARG 84 HH22 -0.0031 -0.0012 0.0005 570 ARG 84 HH21 -0.0029 -0.0027 0.0008 571 ARG 84 HH12 -0.0002 0.0011 0.0003 572 ARG 84 HH11 0.0021 0.0021 0.0003 573 ARG 84 HE 0.0032 -0.0004 0.0009 574 PRO 86 N 0.0082 -0.0013 0.0004 575 PRO 86 CA 0.0088 0.0005 0.0006 576 PRO 86 C 0.0070 0.0017 0.0008 577 PRO 86 O 0.0056 0.0008 0.0007 578 PRO 86 CB 0.0102 -0.0002 0.0005 579 PRO 86 CG 0.0109 -0.0023 0.0003 580 PRO 86 CD 0.0090 -0.0031 0.0002 581 PRO 86 HA 0.0097 0.0014 0.0007 582 PRO 86 HB3 0.0114 0.0008 0.0006 583 PRO 86 HB2 0.0093 -0.0003 0.0005 584 PRO 86 HG3 0.0121 -0.0022 0.0002 585 PRO 86 HG2 0.0113 -0.0032 0.0001 586 PRO 86 HD2 0.0079 -0.0036 0.0001 587 PRO 86 HD3 0.0094 -0.0043 0.0000 588 SER 87 N 0.0070 0.0037 0.0010 589 SER 87 CA 0.0053 0.0050 0.0012 590 SER 87 C 0.0052 0.0051 0.0013 591 SER 87 O 0.0036 0.0050 0.0013 592 SER 87 CB 0.0054 0.0070 0.0015 593 SER 87 OG 0.0073 0.0079 0.0016 594 SER 87 H 0.0081 0.0045 0.0011 595 SER 87 HA 0.0039 0.0043 0.0012 596 SER 87 HB3 0.0052 0.0069 0.0015 597 SER 87 HB2 0.0042 0.0080 0.0016 598 SER 87 HG 0.0071 0.0093 0.0017 599 VAL 88 N 0.0084 0.0090 0.0016 600 VAL 88 CA 0.0079 0.0082 0.0016 601 VAL 88 C 0.0090 0.0040 0.0022 602 VAL 88 O 0.0120 0.0029 0.0029 603 VAL 88 CB 0.0104 0.0109 0.0017 604 VAL 88 CG1 0.0101 0.0101 0.0018 605 VAL 88 CG2 0.0095 0.0151 0.0011 606 VAL 88 H 0.0111 0.0092 0.0020 607 VAL 88 HA 0.0049 0.0086 0.0010 608 VAL 88 HB 0.0134 0.0105 0.0023 609 VAL 88 HG11 0.0117 0.0122 0.0018 610 VAL 88 HG12 0.0113 0.0073 0.0023 611 VAL 88 HG13 0.0072 0.0101 0.0012 612 VAL 88 HG21 0.0114 0.0170 0.0013 613 VAL 88 HG22 0.0066 0.0156 0.0005 614 VAL 88 HG23 0.0098 0.0158 0.0011 615 ILE 89 N 0.0066 0.0019 0.0020 616 ILE 89 CA 0.0074 -0.0018 0.0025 617 ILE 89 C 0.0064 -0.0015 0.0023 618 ILE 89 O 0.0039 0.0006 0.0017 619 ILE 89 CB 0.0050 -0.0050 0.0025 620 ILE 89 CG1 0.0064 -0.0055 0.0028 621 ILE 89 CG2 0.0049 -0.0089 0.0029 622 ILE 89 CD1 0.0039 -0.0082 0.0026 623 ILE 89 H 0.0042 0.0031 0.0014 624 ILE 89 HA 0.0104 -0.0024 0.0032 625 ILE 89 HB 0.0021 -0.0041 0.0018 626 ILE 89 HG13 0.0066 -0.0028 0.0025 627 ILE 89 HG12 0.0093 -0.0066 0.0034 628 ILE 89 HG21 0.0030 -0.0110 0.0027 629 ILE 89 HG22 0.0037 -0.0087 0.0026 630 ILE 89 HG23 0.0077 -0.0102 0.0035 631 ILE 89 HD11 0.0043 -0.0076 0.0026 632 ILE 89 HD12 0.0009 -0.0079 0.0020 633 ILE 89 HD13 0.0046 -0.0112 0.0030 634 TRP 90 N 0.0073 -0.0044 0.0044 635 TRP 90 CA 0.0068 -0.0042 0.0044 636 TRP 90 C 0.0058 -0.0073 0.0046 637 TRP 90 O 0.0075 -0.0095 0.0049 638 TRP 90 CB 0.0098 -0.0033 0.0046 639 TRP 90 CG 0.0108 -0.0001 0.0044 640 TRP 90 CD1 0.0127 0.0009 0.0045 641 TRP 90 CD2 0.0099 0.0026 0.0041 642 TRP 90 NE1 0.0131 0.0040 0.0042 643 TRP 90 CE2 0.0115 0.0052 0.0040 644 TRP 90 CE3 0.0081 0.0031 0.0038 645 TRP 90 CZ2 0.0112 0.0081 0.0037 646 TRP 90 CZ3 0.0078 0.0060 0.0035 647 TRP 90 CH2 0.0094 0.0085 0.0035 648 TRP 90 H 0.0087 -0.0059 0.0047 649 TRP 90 HA 0.0052 -0.0025 0.0041 650 TRP 90 HB3 0.0096 -0.0036 0.0046 651 TRP 90 HB2 0.0116 -0.0048 0.0049 652 TRP 90 HD1 0.0137 -0.0005 0.0047 653 TRP 90 HE1 0.0146 0.0051 0.0043 654 TRP 90 HE3 0.0068 0.0013 0.0039 655 TRP 90 HZ2 0.0125 0.0100 0.0036 656 TRP 90 HZ3 0.0064 0.0064 0.0034 657 TRP 90 HH2 0.0092 0.0107 0.0032 658 GLU 91 N 0.0030 -0.0074 0.0043 659 GLU 91 CA 0.0015 -0.0102 0.0044 660 GLU 91 C 0.0015 -0.0103 0.0044 661 GLU 91 O 0.0009 -0.0080 0.0042 662 GLU 91 CB -0.0017 -0.0104 0.0042 663 GLU 91 CG -0.0017 -0.0115 0.0043 664 GLU 91 CD -0.0043 -0.0105 0.0039 665 GLU 91 OE1 -0.0064 -0.0089 0.0036 666 GLU 91 OE2 -0.0041 -0.0112 0.0040 667 GLU 91 H 0.0017 -0.0055 0.0040 668 GLU 91 HA 0.0028 -0.0122 0.0047 669 GLU 91 HB3 -0.0031 -0.0119 0.0042 670 GLU 91 HB2 -0.0027 -0.0082 0.0039 671 GLU 91 HG3 0.0004 -0.0107 0.0044 672 GLU 91 HG2 -0.0016 -0.0139 0.0045 673 ALA 92 N 0.0026 -0.0085 0.0043 674 ALA 92 CA 0.0028 -0.0073 0.0042 675 ALA 92 C 0.0021 -0.0068 0.0055 676 ALA 92 O 0.0016 -0.0077 0.0061 677 ALA 92 CB 0.0033 -0.0077 0.0033 678 ALA 92 H 0.0027 -0.0095 0.0042 679 ALA 92 HA 0.0031 -0.0064 0.0038 680 ALA 92 HB1 0.0034 -0.0068 0.0032 681 ALA 92 HB2 0.0038 -0.0080 0.0024 682 ALA 92 HB3 0.0030 -0.0086 0.0037 683 LYS 93 N 0.0020 -0.0054 0.0058 684 LYS 93 CA 0.0014 -0.0047 0.0069 685 LYS 93 C 0.0018 -0.0034 0.0064 686 LYS 93 O 0.0022 -0.0026 0.0057 687 LYS 93 CB 0.0009 -0.0042 0.0078 688 LYS 93 CG 0.0002 -0.0035 0.0090 689 LYS 93 CD -0.0002 -0.0029 0.0098 690 LYS 93 CE -0.0009 -0.0023 0.0111 691 LYS 93 NZ -0.0013 -0.0017 0.0118 692 LYS 93 H 0.0023 -0.0048 0.0053 693 LYS 93 HA 0.0011 -0.0054 0.0074 694 LYS 93 HB3 0.0012 -0.0034 0.0073 695 LYS 93 HB2 0.0007 -0.0051 0.0080 696 LYS 93 HG3 -0.0001 -0.0043 0.0095 697 LYS 93 HG2 0.0004 -0.0026 0.0088 698 LYS 93 HD3 0.0002 -0.0020 0.0093 699 LYS 93 HD2 -0.0003 -0.0037 0.0099 700 LYS 93 HE3 -0.0013 -0.0031 0.0117 701 LYS 93 HE2 -0.0008 -0.0014 0.0110 702 LYS 93 HZ1 -0.0010 -0.0009 0.0114 703 LYS 93 HZ2 -0.0018 -0.0013 0.0127 704 LYS 93 HZ3 -0.0014 -0.0025 0.0119 705 CYS 94 N 0.0025 0.0003 0.0043 706 CYS 94 CA 0.0025 0.0008 0.0042 707 CYS 94 C 0.0024 0.0013 0.0043 708 CYS 94 O 0.0023 0.0013 0.0048 709 CYS 94 CB 0.0024 0.0008 0.0044 710 CYS 94 SG 0.0025 0.0002 0.0045 711 CYS 94 H 0.0025 0.0001 0.0046 712 CYS 94 HA 0.0026 0.0008 0.0038 713 CYS 94 HB3 0.0024 0.0011 0.0042 714 CYS 94 HB2 0.0023 0.0010 0.0048 715 ARG 95 N 0.0024 0.0018 0.0040 716 ARG 95 CA 0.0023 0.0022 0.0041 717 ARG 95 C 0.0021 0.0026 0.0045 718 ARG 95 O 0.0020 0.0029 0.0048 719 ARG 95 CB 0.0023 0.0026 0.0036 720 ARG 95 CG 0.0025 0.0023 0.0031 721 ARG 95 CD 0.0025 0.0027 0.0026 722 ARG 95 NE 0.0027 0.0024 0.0022 723 ARG 95 CZ 0.0028 0.0025 0.0017 724 ARG 95 NH1 0.0028 0.0030 0.0015 725 ARG 95 NH2 0.0030 0.0022 0.0013 726 ARG 95 H 0.0025 0.0018 0.0037 727 ARG 95 HA 0.0022 0.0021 0.0042 728 ARG 95 HB3 0.0022 0.0030 0.0037 729 ARG 95 HB2 0.0023 0.0027 0.0035 730 ARG 95 HG3 0.0026 0.0019 0.0030 731 ARG 95 HG2 0.0025 0.0022 0.0033 732 ARG 95 HD3 0.0025 0.0030 0.0027 733 ARG 95 HD2 0.0025 0.0029 0.0026 734 ARG 95 HH22 0.0031 0.0023 0.0009 735 ARG 95 HH21 0.0030 0.0018 0.0015 736 ARG 95 HH12 0.0029 0.0031 0.0011 737 ARG 95 HH11 0.0027 0.0033 0.0017 738 ARG 95 HE 0.0028 0.0020 0.0023 739 HIS 96 N 0.0008 0.0066 0.0009 740 HIS 96 CA -0.0001 0.0057 0.0008 741 HIS 96 C -0.0002 0.0053 0.0009 742 HIS 96 O 0.0004 0.0055 0.0013 743 HIS 96 CB 0.0000 0.0050 0.0014 744 HIS 96 CG 0.0003 0.0053 0.0014 745 HIS 96 ND1 -0.0002 0.0055 0.0008 746 HIS 96 CD2 0.0011 0.0056 0.0019 747 HIS 96 CE1 0.0002 0.0058 0.0010 748 HIS 96 NE2 0.0011 0.0059 0.0017 749 HIS 96 H 0.0013 0.0065 0.0014 750 HIS 96 HA -0.0006 0.0059 0.0002 751 HIS 96 HB3 -0.0006 0.0043 0.0013 752 HIS 96 HB2 0.0005 0.0047 0.0020 753 HIS 96 HD1 -0.0009 0.0053 0.0003 754 HIS 96 HD2 0.0017 0.0056 0.0025 755 HIS 96 HE1 -0.0000 0.0060 0.0006 756 LEU 97 N -0.0011 0.0048 0.0006 757 LEU 97 CA -0.0013 0.0042 0.0008 758 LEU 97 C -0.0011 0.0033 0.0016 759 LEU 97 O -0.0007 0.0030 0.0021 760 LEU 97 CB -0.0023 0.0039 0.0001 761 LEU 97 CG -0.0025 0.0048 -0.0007 762 LEU 97 CD1 -0.0036 0.0045 -0.0014 763 LEU 97 CD2 -0.0021 0.0054 -0.0007 764 LEU 97 H -0.0015 0.0047 0.0003 765 LEU 97 HA -0.0009 0.0046 0.0009 766 LEU 97 HB3 -0.0025 0.0034 0.0003 767 LEU 97 HB2 -0.0027 0.0035 0.0000 768 LEU 97 HG -0.0023 0.0053 -0.0009 769 LEU 97 HD11 -0.0038 0.0051 -0.0020 770 LEU 97 HD12 -0.0038 0.0043 -0.0015 771 LEU 97 HD13 -0.0039 0.0040 -0.0013 772 LEU 97 HD21 -0.0025 0.0057 -0.0013 773 LEU 97 HD22 -0.0020 0.0049 -0.0003 774 LEU 97 HD23 -0.0015 0.0059 -0.0006 775 GLY 98 N -0.0042 0.0063 -0.0013 776 GLY 98 CA -0.0039 0.0048 0.0000 777 GLY 98 C -0.0018 0.0052 0.0008 778 GLY 98 O -0.0006 0.0066 0.0003 779 GLY 98 H -0.0048 0.0071 -0.0022 780 GLY 98 HA3 -0.0050 0.0044 -0.0002 781 GLY 98 HA2 -0.0040 0.0037 0.0008 782 CYS 99 N -0.0014 0.0040 0.0018 783 CYS 99 CA 0.0004 0.0042 0.0026 784 CYS 99 C 0.0000 0.0042 0.0024 785 CYS 99 O -0.0015 0.0033 0.0024 786 CYS 99 CB 0.0013 0.0027 0.0042 787 CYS 99 SG 0.0019 0.0025 0.0047 788 CYS 99 H -0.0026 0.0030 0.0021 789 CYS 99 HA 0.0014 0.0055 0.0022 790 CYS 99 HB3 0.0027 0.0030 0.0047 791 CYS 99 HB2 0.0004 0.0015 0.0047 792 ILE 100 N 0.0008 0.0029 0.0023 793 ILE 100 CA 0.0015 0.0048 0.0013 794 ILE 100 C 0.0027 0.0029 0.0017 795 ILE 100 O 0.0048 0.0008 0.0019 796 ILE 100 CB 0.0040 0.0069 -0.0003 797 ILE 100 CG1 0.0032 0.0086 -0.0008 798 ILE 100 CG2 0.0046 0.0091 -0.0014 799 ILE 100 CD1 0.0001 0.0105 -0.0006 800 ILE 100 H 0.0025 0.0024 0.0020 801 ILE 100 HA -0.0006 0.0062 0.0014 802 ILE 100 HB 0.0061 0.0055 -0.0005 803 ILE 100 HG13 0.0050 0.0100 -0.0020 804 ILE 100 HG12 0.0033 0.0070 -0.0002 805 ILE 100 HG21 0.0062 0.0106 -0.0026 806 ILE 100 HG22 0.0056 0.0079 -0.0013 807 ILE 100 HG23 0.0025 0.0104 -0.0013 808 ILE 100 HD11 -0.0002 0.0119 -0.0011 809 ILE 100 HD12 -0.0002 0.0120 -0.0011 810 ILE 100 HD13 -0.0018 0.0091 0.0006 811 ASN 101 N 0.0012 0.0035 0.0019 812 ASN 101 CA 0.0020 0.0020 0.0023 813 ASN 101 C 0.0043 0.0036 0.0009 814 ASN 101 O 0.0052 0.0059 -0.0004 815 ASN 101 CB -0.0010 0.0015 0.0034 816 ASN 101 CG -0.0028 0.0043 0.0029 817 ASN 101 OD1 -0.0019 0.0067 0.0016 818 ASN 101 ND2 -0.0054 0.0038 0.0040 819 ASN 101 H -0.0005 0.0052 0.0018 820 ASN 101 HA 0.0032 -0.0002 0.0028 821 ASN 101 HB3 -0.0025 0.0005 0.0044 822 ASN 101 HB2 -0.0004 -0.0001 0.0039 823 ASN 101 HD22 -0.0065 0.0055 0.0036 824 ASN 101 HD21 -0.0061 0.0018 0.0050 825 ALA 102 N 0.0080 0.0012 -0.0005 826 ALA 102 CA 0.0129 0.0030 -0.0011 827 ALA 102 C 0.0114 0.0086 -0.0026 828 ALA 102 O 0.0156 0.0121 -0.0036 829 ALA 102 CB 0.0143 -0.0022 0.0002 830 ALA 102 H 0.0065 -0.0029 0.0006 831 ALA 102 HA 0.0169 0.0039 -0.0015 832 ALA 102 HB1 0.0179 -0.0011 -0.0002 833 ALA 102 HB2 0.0158 -0.0061 0.0012 834 ALA 102 HB3 0.0103 -0.0035 0.0006 835 GLY 104 N 0.0046 0.0174 -0.0064 836 GLY 104 CA 0.0050 0.0194 -0.0077 837 GLY 104 C 0.0004 0.0201 -0.0059 838 GLY 104 O -0.0001 0.0226 -0.0070 839 GLY 104 H 0.0059 0.0140 -0.0052 840 GLY 104 HA3 0.0060 0.0227 -0.0100 841 GLY 104 HA2 0.0077 0.0173 -0.0079 842 ASN 105 N -0.0028 0.0180 -0.0032 843 ASN 105 CA -0.0073 0.0182 -0.0012 844 ASN 105 C -0.0070 0.0142 0.0009 845 ASN 105 O -0.0041 0.0107 0.0014 846 ASN 105 CB -0.0111 0.0182 0.0007 847 ASN 105 CG -0.0125 0.0226 -0.0010 848 ASN 105 OD1 -0.0161 0.0232 0.0004 849 ASN 105 ND2 -0.0099 0.0256 -0.0039 850 ASN 105 H -0.0021 0.0157 -0.0023 851 ASN 105 HA -0.0082 0.0213 -0.0024 852 ASN 105 HB3 -0.0143 0.0178 0.0025 853 ASN 105 HB2 -0.0101 0.0154 0.0018 854 ASN 105 HD22 -0.0107 0.0282 -0.0050 855 ASN 105 HD21 -0.0067 0.0249 -0.0051 856 VAL 106 N -0.0065 0.0103 0.0017 857 VAL 106 CA -0.0075 0.0088 0.0020 858 VAL 106 C -0.0098 0.0051 0.0028 859 VAL 106 O -0.0130 0.0050 0.0023 860 VAL 106 CB -0.0101 0.0114 0.0007 861 VAL 106 CG1 -0.0114 0.0099 0.0010 862 VAL 106 CG2 -0.0080 0.0153 -0.0001 863 VAL 106 H -0.0085 0.0119 0.0009 864 VAL 106 HA -0.0049 0.0084 0.0026 865 VAL 106 HB -0.0126 0.0118 0.0002 866 VAL 106 HG11 -0.0129 0.0119 0.0001 867 VAL 106 HG12 -0.0133 0.0074 0.0015 868 VAL 106 HG13 -0.0089 0.0091 0.0017 869 VAL 106 HG21 -0.0100 0.0172 -0.0011 870 VAL 106 HG22 -0.0056 0.0151 0.0003 871 VAL 106 HG23 -0.0070 0.0166 -0.0004 872 ASP 107 N -0.0081 0.0020 0.0041 873 ASP 107 CA -0.0100 -0.0016 0.0049 874 ASP 107 C -0.0122 -0.0016 0.0046 875 ASP 107 O -0.0105 -0.0006 0.0045 876 ASP 107 CB -0.0073 -0.0048 0.0064 877 ASP 107 CG -0.0092 -0.0087 0.0073 878 ASP 107 OD1 -0.0127 -0.0092 0.0069 879 ASP 107 OD2 -0.0071 -0.0113 0.0085 880 ASP 107 H -0.0054 0.0023 0.0045 881 ASP 107 HA -0.0121 -0.0020 0.0047 882 ASP 107 HB3 -0.0051 -0.0044 0.0067 883 ASP 107 HB2 -0.0058 -0.0047 0.0067 884 TYR 108 N -0.0173 -0.0041 -0.0037 885 TYR 108 CA -0.0194 -0.0005 -0.0096 886 TYR 108 C -0.0195 -0.0036 -0.0074 887 TYR 108 O -0.0205 -0.0002 -0.0114 888 TYR 108 CB -0.0252 -0.0019 -0.0173 889 TYR 108 CG -0.0299 -0.0109 -0.0180 890 TYR 108 CD1 -0.0311 -0.0156 -0.0162 891 TYR 108 CD2 -0.0332 -0.0144 -0.0204 892 TYR 108 CE1 -0.0355 -0.0238 -0.0169 893 TYR 108 CE2 -0.0376 -0.0227 -0.0209 894 TYR 108 CZ -0.0386 -0.0274 -0.0191 895 TYR 108 OH -0.0427 -0.0355 -0.0194 896 TYR 108 H -0.0198 -0.0101 -0.0031 897 TYR 108 HA -0.0166 0.0062 -0.0101 898 TYR 108 HB3 -0.0248 0.0007 -0.0187 899 TYR 108 HB2 -0.0265 0.0015 -0.0218 900 TYR 108 HD1 -0.0286 -0.0129 -0.0145 901 TYR 108 HD2 -0.0324 -0.0108 -0.0217 902 TYR 108 HE1 -0.0363 -0.0275 -0.0155 903 TYR 108 HE2 -0.0400 -0.0253 -0.0226 904 TYR 108 HH -0.0432 -0.0379 -0.0184 905 HIS 109 N -0.0185 -0.0098 -0.0012 906 HIS 109 CA -0.0181 -0.0129 0.0015 907 HIS 109 C -0.0126 -0.0071 0.0057 908 HIS 109 O -0.0124 -0.0071 0.0060 909 HIS 109 CB -0.0190 -0.0217 0.0066 910 HIS 109 CG -0.0244 -0.0278 0.0029 911 HIS 109 ND1 -0.0246 -0.0300 0.0042 912 HIS 109 CD2 -0.0298 -0.0324 -0.0020 913 HIS 109 CE1 -0.0299 -0.0354 0.0001 914 HIS 109 NE2 -0.0333 -0.0372 -0.0038 915 HIS 109 H -0.0177 -0.0126 0.0020 916 HIS 109 HA -0.0215 -0.0132 -0.0034 917 HIS 109 HB3 -0.0189 -0.0239 0.0084 918 HIS 109 HB2 -0.0155 -0.0216 0.0118 919 HIS 109 HD1 -0.0212 -0.0272 0.0073 920 HIS 109 HD2 -0.0315 -0.0325 -0.0045 921 HIS 109 HE1 -0.0313 -0.0380 -0.0001 922 MET 110 N -0.0027 -0.0006 0.0042 923 MET 110 CA -0.0014 0.0003 0.0048 924 MET 110 C -0.0001 0.0007 0.0032 925 MET 110 O -0.0004 0.0002 0.0017 926 MET 110 CB -0.0021 0.0001 0.0056 927 MET 110 CG -0.0033 -0.0002 0.0073 928 MET 110 SD -0.0024 0.0008 0.0092 929 MET 110 CE -0.0014 0.0015 0.0098 930 MET 110 H -0.0034 -0.0012 0.0035 931 MET 110 HA -0.0009 0.0009 0.0058 932 MET 110 HB3 -0.0011 0.0008 0.0059 933 MET 110 HB2 -0.0026 -0.0005 0.0046 934 MET 110 HG3 -0.0038 -0.0005 0.0077 935 MET 110 HG2 -0.0042 -0.0009 0.0070 936 MET 110 HE1 -0.0009 0.0021 0.0111 937 MET 110 HE2 -0.0023 0.0011 0.0101 938 MET 110 HE3 -0.0005 0.0019 0.0088 939 ASN 111 N 0.0013 0.0017 0.0036 940 ASN 111 CA 0.0026 0.0022 0.0022 941 ASN 111 C 0.0033 0.0026 0.0024 942 ASN 111 O 0.0037 0.0032 0.0039 943 ASN 111 CB 0.0040 0.0030 0.0024 944 ASN 111 CG 0.0037 0.0028 0.0020 945 ASN 111 OD1 0.0047 0.0035 0.0023 946 ASN 111 ND2 0.0024 0.0018 0.0013 947 ASN 111 H 0.0015 0.0021 0.0049 948 ASN 111 HA 0.0023 0.0016 0.0009 949 ASN 111 HB3 0.0050 0.0034 0.0014 950 ASN 111 HB2 0.0044 0.0036 0.0037 951 ASN 111 HD22 0.0022 0.0016 0.0010 952 ASN 111 HD21 0.0015 0.0012 0.0011 953 SER 112 N 0.0044 0.0038 0.0042 954 SER 112 CA 0.0046 0.0029 0.0034 955 SER 112 C 0.0059 0.0023 0.0039 956 SER 112 O 0.0066 0.0019 0.0042 957 SER 112 CB 0.0043 0.0021 0.0025 958 SER 112 OG 0.0032 0.0024 0.0018 959 SER 112 H 0.0046 0.0037 0.0042 960 SER 112 HA 0.0041 0.0031 0.0032 961 SER 112 HB3 0.0047 0.0013 0.0020 962 SER 112 HB2 0.0047 0.0020 0.0027 963 SER 112 HG 0.0029 0.0029 0.0020 964 VAL 113 N 0.0061 0.0022 0.0041 965 VAL 113 CA 0.0073 0.0017 0.0045 966 VAL 113 C 0.0074 0.0008 0.0037 967 VAL 113 O 0.0066 0.0009 0.0032 968 VAL 113 CB 0.0076 0.0025 0.0055 969 VAL 113 CG1 0.0078 0.0032 0.0064 970 VAL 113 CG2 0.0069 0.0030 0.0055 971 VAL 113 H 0.0055 0.0025 0.0038 972 VAL 113 HA 0.0079 0.0014 0.0047 973 VAL 113 HB 0.0085 0.0020 0.0058 974 VAL 113 HG11 0.0081 0.0038 0.0071 975 VAL 113 HG12 0.0084 0.0028 0.0065 976 VAL 113 HG13 0.0070 0.0037 0.0062 977 VAL 113 HG21 0.0071 0.0036 0.0062 978 VAL 113 HG22 0.0060 0.0035 0.0052 979 VAL 113 HG23 0.0069 0.0025 0.0050 980 PRO 114 N 0.0058 -0.0028 0.0066 981 PRO 114 CA 0.0051 -0.0043 0.0060 982 PRO 114 C 0.0047 -0.0043 0.0054 983 PRO 114 O 0.0052 -0.0041 0.0061 984 PRO 114 CB 0.0056 -0.0056 0.0071 985 PRO 114 CG 0.0066 -0.0049 0.0083 986 PRO 114 CD 0.0068 -0.0032 0.0080 987 PRO 114 HA 0.0045 -0.0043 0.0053 988 PRO 114 HB3 0.0056 -0.0059 0.0071 989 PRO 114 HB2 0.0053 -0.0066 0.0070 990 PRO 114 HG3 0.0071 -0.0055 0.0092 991 PRO 114 HG2 0.0067 -0.0050 0.0084 992 PRO 114 HD2 0.0073 -0.0025 0.0085 993 PRO 114 HD3 0.0070 -0.0030 0.0084 994 ILE 115 N 0.0037 -0.0046 0.0042 995 ILE 115 CA 0.0032 -0.0049 0.0036 996 ILE 115 C 0.0032 -0.0066 0.0040 997 ILE 115 O 0.0029 -0.0077 0.0039 998 ILE 115 CB 0.0022 -0.0047 0.0021 999 ILE 115 CG1 0.0021 -0.0031 0.0016 1000 ILE 115 CG2 0.0016 -0.0051 0.0014 1001 ILE 115 CD1 0.0011 -0.0028 0.0001 1002 ILE 115 H 0.0033 -0.0049 0.0038 1003 ILE 115 HA 0.0035 -0.0042 0.0038 1004 ILE 115 HB 0.0018 -0.0056 0.0018 1005 ILE 115 HG13 0.0025 -0.0029 0.0020 1006 ILE 115 HG12 0.0025 -0.0022 0.0018 1007 ILE 115 HG21 0.0009 -0.0049 0.0004 1008 ILE 115 HG22 0.0016 -0.0062 0.0017 1009 ILE 115 HG23 0.0020 -0.0043 0.0017 1010 ILE 115 HD11 0.0011 -0.0024 -0.0001 1011 ILE 115 HD12 0.0006 -0.0039 -0.0004 1012 ILE 115 HD13 0.0010 -0.0019 -0.0003 1013 GLN 116 N 0.0016 -0.0096 0.0044 1014 GLN 116 CA 0.0015 -0.0111 0.0050 1015 GLN 116 C 0.0006 -0.0115 0.0041 1016 GLN 116 O 0.0005 -0.0104 0.0035 1017 GLN 116 CB 0.0026 -0.0110 0.0063 1018 GLN 116 CG 0.0036 -0.0103 0.0072 1019 GLN 116 CD 0.0045 -0.0111 0.0086 1020 GLN 116 OE1 0.0047 -0.0116 0.0091 1021 GLN 116 NE2 0.0050 -0.0112 0.0092 1022 GLN 116 H 0.0019 -0.0087 0.0043 1023 GLN 116 HA 0.0013 -0.0120 0.0052 1024 GLN 116 HB3 0.0026 -0.0121 0.0068 1025 GLN 116 HB2 0.0028 -0.0102 0.0061 1026 GLN 116 HG3 0.0040 -0.0091 0.0070 1027 GLN 116 HG2 0.0033 -0.0104 0.0068 1028 GLN 116 HE22 0.0055 -0.0118 0.0102 1029 GLN 116 HE21 0.0047 -0.0110 0.0088 1030 GLN 117 N -0.0001 -0.0130 0.0040 1031 GLN 117 CA -0.0011 -0.0135 0.0032 1032 GLN 117 C -0.0009 -0.0149 0.0040 1033 GLN 117 O -0.0007 -0.0159 0.0048 1034 GLN 117 CB -0.0022 -0.0141 0.0021 1035 GLN 117 CG -0.0025 -0.0127 0.0011 1036 GLN 117 CD -0.0027 -0.0117 0.0003 1037 GLN 117 OE1 -0.0029 -0.0121 0.0002 1038 GLN 117 NE2 -0.0027 -0.0103 -0.0004 1039 GLN 117 H -0.0000 -0.0138 0.0045 1040 GLN 117 HA -0.0011 -0.0127 0.0028 1041 GLN 117 HB3 -0.0029 -0.0147 0.0016 1042 GLN 117 HB2 -0.0021 -0.0149 0.0026 1043 GLN 117 HG3 -0.0032 -0.0132 0.0004 1044 GLN 117 HG2 -0.0018 -0.0120 0.0015 1045 GLN 117 HE22 -0.0029 -0.0096 -0.0010 1046 GLN 117 HE21 -0.0026 -0.0098 -0.0005 1047 GLU 118 N -0.0024 -0.0188 0.0040 1048 GLU 118 CA -0.0024 -0.0188 0.0040 1049 GLU 118 C -0.0008 -0.0180 0.0036 1050 GLU 118 O 0.0006 -0.0187 0.0036 1051 GLU 118 CB -0.0025 -0.0206 0.0045 1052 GLU 118 CG -0.0043 -0.0213 0.0049 1053 GLU 118 CD -0.0044 -0.0229 0.0054 1054 GLU 118 OE1 -0.0030 -0.0238 0.0054 1055 GLU 118 OE2 -0.0057 -0.0232 0.0056 1056 GLU 118 H -0.0020 -0.0199 0.0043 1057 GLU 118 HA -0.0035 -0.0181 0.0040 1058 GLU 118 HB3 -0.0019 -0.0207 0.0044 1059 GLU 118 HB2 -0.0018 -0.0214 0.0046 1060 GLU 118 HG3 -0.0049 -0.0214 0.0050 1061 GLU 118 HG2 -0.0051 -0.0204 0.0048 1062 ILE 119 N -0.0010 -0.0166 0.0032 1063 ILE 119 CA 0.0004 -0.0156 0.0028 1064 ILE 119 C 0.0001 -0.0155 0.0028 1065 ILE 119 O -0.0014 -0.0152 0.0029 1066 ILE 119 CB 0.0004 -0.0138 0.0023 1067 ILE 119 CG1 0.0011 -0.0139 0.0022 1068 ILE 119 CG2 0.0013 -0.0125 0.0018 1069 ILE 119 CD1 0.0030 -0.0146 0.0021 1070 ILE 119 H -0.0022 -0.0161 0.0033 1071 ILE 119 HA 0.0016 -0.0162 0.0028 1072 ILE 119 HB -0.0009 -0.0134 0.0024 1073 ILE 119 HG13 0.0009 -0.0127 0.0019 1074 ILE 119 HG12 0.0003 -0.0148 0.0026 1075 ILE 119 HG21 0.0014 -0.0113 0.0015 1076 ILE 119 HG22 0.0007 -0.0121 0.0018 1077 ILE 119 HG23 0.0026 -0.0129 0.0017 1078 ILE 119 HD11 0.0035 -0.0142 0.0020 1079 ILE 119 HD12 0.0038 -0.0141 0.0019 1080 ILE 119 HD13 0.0031 -0.0159 0.0025 1081 LEU 120 N 0.0027 -0.0113 0.0027 1082 LEU 120 CA 0.0028 -0.0102 0.0024 1083 LEU 120 C 0.0029 -0.0094 0.0022 1084 LEU 120 O 0.0034 -0.0094 0.0027 1085 LEU 120 CB 0.0035 -0.0100 0.0030 1086 LEU 120 CG 0.0034 -0.0108 0.0032 1087 LEU 120 CD1 0.0041 -0.0106 0.0040 1088 LEU 120 CD2 0.0027 -0.0106 0.0024 1089 LEU 120 H 0.0032 -0.0114 0.0033 1090 LEU 120 HA 0.0022 -0.0102 0.0018 1091 LEU 120 HB3 0.0036 -0.0092 0.0028 1092 LEU 120 HB2 0.0040 -0.0101 0.0036 1093 LEU 120 HG 0.0032 -0.0116 0.0034 1094 LEU 120 HD11 0.0041 -0.0112 0.0041 1095 LEU 120 HD12 0.0046 -0.0107 0.0045 1096 LEU 120 HD13 0.0043 -0.0098 0.0038 1097 LEU 120 HD21 0.0027 -0.0110 0.0026 1098 LEU 120 HD22 0.0027 -0.0098 0.0021 1099 LEU 120 HD23 0.0021 -0.0111 0.0020 1100 VAL 121 N 0.0026 -0.0086 0.0015 1101 VAL 121 CA 0.0027 -0.0076 0.0013 1102 VAL 121 C 0.0028 -0.0066 0.0011 1103 VAL 121 O 0.0025 -0.0068 0.0008 1104 VAL 121 CB 0.0020 -0.0076 0.0006 1105 VAL 121 CG1 0.0020 -0.0085 0.0008 1106 VAL 121 CG2 0.0012 -0.0077 -0.0003 1107 VAL 121 H 0.0022 -0.0086 0.0011 1108 VAL 121 HA 0.0033 -0.0075 0.0019 1109 VAL 121 HB 0.0022 -0.0068 0.0004 1110 VAL 121 HG11 0.0015 -0.0085 0.0003 1111 VAL 121 HG12 0.0025 -0.0084 0.0014 1112 VAL 121 HG13 0.0018 -0.0093 0.0010 1113 VAL 121 HG21 0.0008 -0.0078 -0.0008 1114 VAL 121 HG22 0.0011 -0.0084 -0.0002 1115 VAL 121 HG23 0.0012 -0.0070 -0.0006 1116 LEU 122 N 0.0041 -0.0030 -0.0011 1117 LEU 122 CA 0.0041 -0.0026 -0.0013 1118 LEU 122 C 0.0030 -0.0017 -0.0017 1119 LEU 122 O 0.0030 -0.0009 -0.0019 1120 LEU 122 CB 0.0053 -0.0019 -0.0013 1121 LEU 122 CG 0.0064 -0.0026 -0.0010 1122 LEU 122 CD1 0.0076 -0.0018 -0.0011 1123 LEU 122 CD2 0.0064 -0.0035 -0.0007 1124 LEU 122 H 0.0044 -0.0025 -0.0013 1125 LEU 122 HA 0.0039 -0.0033 -0.0011 1126 LEU 122 HB3 0.0052 -0.0014 -0.0015 1127 LEU 122 HB2 0.0054 -0.0012 -0.0015 1128 LEU 122 HG 0.0065 -0.0030 -0.0008 1129 LEU 122 HD11 0.0083 -0.0021 -0.0009 1130 LEU 122 HD12 0.0074 -0.0009 -0.0014 1131 LEU 122 HD13 0.0079 -0.0017 -0.0011 1132 LEU 122 HD21 0.0072 -0.0040 -0.0004 1133 LEU 122 HD22 0.0063 -0.0031 -0.0008 1134 LEU 122 HD23 0.0056 -0.0042 -0.0006 1135 ARG 123 N 0.0022 -0.0019 -0.0017 1136 ARG 123 CA 0.0013 -0.0011 -0.0021 1137 ARG 123 C 0.0017 -0.0005 -0.0022 1138 ARG 123 O 0.0021 -0.0011 -0.0020 1139 ARG 123 CB -0.0000 -0.0017 -0.0021 1140 ARG 123 CG -0.0010 -0.0007 -0.0025 1141 ARG 123 CD -0.0023 -0.0011 -0.0025 1142 ARG 123 NE -0.0024 -0.0014 -0.0024 1143 ARG 123 CZ -0.0024 -0.0007 -0.0027 1144 ARG 123 NH1 -0.0023 0.0005 -0.0030 1145 ARG 123 NH2 -0.0025 -0.0012 -0.0025 1146 ARG 123 H 0.0023 -0.0026 -0.0015 1147 ARG 123 HA 0.0012 -0.0004 -0.0023 1148 ARG 123 HB3 -0.0000 -0.0024 -0.0018 1149 ARG 123 HB2 -0.0002 -0.0021 -0.0019 1150 ARG 123 HG3 -0.0007 0.0001 -0.0027 1151 ARG 123 HG2 -0.0009 -0.0006 -0.0025 1152 ARG 123 HD3 -0.0029 -0.0004 -0.0028 1153 ARG 123 HD2 -0.0026 -0.0018 -0.0023 1154 ARG 123 HH22 -0.0024 -0.0006 -0.0027 1155 ARG 123 HH21 -0.0025 -0.0021 -0.0022 1156 ARG 123 HH12 -0.0023 0.0010 -0.0032 1157 ARG 123 HH11 -0.0023 0.0009 -0.0031 1158 ARG 123 HE -0.0025 -0.0022 -0.0022 1159 ARG 124 N 0.0050 -0.0002 -0.0008 1160 ARG 124 CA 0.0043 0.0015 -0.0006 1161 ARG 124 C 0.0029 0.0015 -0.0019 1162 ARG 124 O 0.0021 0.0010 -0.0028 1163 ARG 124 CB 0.0042 0.0028 -0.0001 1164 ARG 124 CG 0.0056 0.0029 0.0011 1165 ARG 124 CD 0.0054 0.0042 0.0016 1166 ARG 124 NE 0.0067 0.0040 0.0027 1167 ARG 124 CZ 0.0078 0.0045 0.0039 1168 ARG 124 NH1 0.0079 0.0052 0.0043 1169 ARG 124 NH2 0.0089 0.0042 0.0047 1170 ARG 124 H 0.0052 -0.0002 -0.0007 1171 ARG 124 HA 0.0049 0.0018 0.0000 1172 ARG 124 HB3 0.0036 0.0040 -0.0001 1173 ARG 124 HB2 0.0036 0.0025 -0.0008 1174 ARG 124 HG3 0.0062 0.0017 0.0011 1175 ARG 124 HG2 0.0061 0.0032 0.0018 1176 ARG 124 HD3 0.0051 0.0054 0.0020 1177 ARG 124 HD2 0.0046 0.0042 0.0009 1178 ARG 124 HH22 0.0097 0.0046 0.0056 1179 ARG 124 HH21 0.0089 0.0036 0.0044 1180 ARG 124 HH12 0.0087 0.0055 0.0051 1181 ARG 124 HH11 0.0070 0.0054 0.0036 1182 ARG 124 HE 0.0067 0.0036 0.0025 1183 GLU 125 N 0.0026 0.0021 -0.0019 1184 GLU 125 CA 0.0012 0.0023 -0.0029 1185 GLU 125 C 0.0009 0.0039 -0.0025 1186 GLU 125 O 0.0016 0.0040 -0.0018 1187 GLU 125 CB 0.0013 0.0008 -0.0036 1188 GLU 125 CG -0.0001 0.0009 -0.0048 1189 GLU 125 CD -0.0002 -0.0007 -0.0056 1190 GLU 125 OE1 0.0001 -0.0019 -0.0060 1191 GLU 125 OE2 -0.0005 -0.0006 -0.0059 1192 GLU 125 H 0.0032 0.0026 -0.0010 1193 GLU 125 HA 0.0005 0.0024 -0.0036 1194 GLU 125 HB3 0.0021 0.0006 -0.0030 1195 GLU 125 HB2 0.0015 -0.0003 -0.0039 1196 GLU 125 HG3 -0.0009 0.0013 -0.0054 1197 GLU 125 HG2 -0.0003 0.0019 -0.0045 1198 PRO 126 N -0.0029 0.0031 -0.0017 1199 PRO 126 CA -0.0040 0.0036 -0.0016 1200 PRO 126 C -0.0029 0.0044 -0.0009 1201 PRO 126 O -0.0014 0.0048 -0.0003 1202 PRO 126 CB -0.0056 0.0048 -0.0014 1203 PRO 126 CG -0.0048 0.0055 -0.0008 1204 PRO 126 CD -0.0036 0.0040 -0.0013 1205 PRO 126 HA -0.0046 0.0026 -0.0024 1206 PRO 126 HB3 -0.0067 0.0042 -0.0021 1207 PRO 126 HB2 -0.0060 0.0058 -0.0010 1208 PRO 126 HG3 -0.0059 0.0060 -0.0008 1209 PRO 126 HG2 -0.0040 0.0065 -0.0000 1210 PRO 126 HD2 -0.0025 0.0044 -0.0008 1211 PRO 126 HD3 -0.0044 0.0033 -0.0020 1212 PRO 127 N -0.0036 0.0046 -0.0010 1213 PRO 127 CA -0.0027 0.0055 -0.0002 1214 PRO 127 C -0.0023 0.0072 0.0008 1215 PRO 127 O -0.0033 0.0080 0.0010 1216 PRO 127 CB -0.0041 0.0056 -0.0005 1217 PRO 127 CG -0.0052 0.0042 -0.0016 1218 PRO 127 CD -0.0053 0.0041 -0.0017 1219 PRO 127 HA -0.0015 0.0047 -0.0004 1220 PRO 127 HB3 -0.0035 0.0056 -0.0004 1221 PRO 127 HB2 -0.0050 0.0068 -0.0001 1222 PRO 127 HG3 -0.0044 0.0031 -0.0021 1223 PRO 127 HG2 -0.0065 0.0044 -0.0019 1224 PRO 127 HD2 -0.0064 0.0050 -0.0016 1225 PRO 127 HD3 -0.0055 0.0029 -0.0025 1226 HIS 128 N -0.0013 0.0056 0.0016 1227 HIS 128 CA -0.0003 0.0073 0.0032 1228 HIS 128 C 0.0003 0.0076 0.0037 1229 HIS 128 O 0.0011 0.0090 0.0050 1230 HIS 128 CB -0.0019 0.0092 0.0040 1231 HIS 128 CG -0.0028 0.0091 0.0035 1232 HIS 128 ND1 -0.0016 0.0080 0.0032 1233 HIS 128 CD2 -0.0050 0.0097 0.0031 1234 HIS 128 CE1 -0.0030 0.0081 0.0027 1235 HIS 128 NE2 -0.0050 0.0091 0.0027 1236 HIS 128 H -0.0003 0.0046 0.0013 1237 HIS 128 HA 0.0012 0.0071 0.0037 1238 HIS 128 HB3 -0.0009 0.0104 0.0052 1239 HIS 128 HB2 -0.0033 0.0098 0.0038 1240 HIS 128 HD1 0.0000 0.0072 0.0033 1241 HIS 128 HD2 -0.0064 0.0106 0.0032 1242 HIS 128 HE1 -0.0024 0.0073 0.0024 1243 SER 129 N 0.0001 0.0062 0.0026 1244 SER 129 CA 0.0007 0.0063 0.0029 1245 SER 129 C 0.0032 0.0062 0.0038 1246 SER 129 O 0.0046 0.0048 0.0033 1247 SER 129 CB -0.0001 0.0046 0.0014 1248 SER 129 OG 0.0006 0.0047 0.0017 1249 SER 129 H -0.0006 0.0051 0.0015 1250 SER 129 HA -0.0003 0.0077 0.0035 1251 SER 129 HB3 0.0007 0.0032 0.0007 1252 SER 129 HB2 -0.0019 0.0048 0.0008 1253 SER 129 HG -0.0001 0.0038 0.0008 1254 PRO 130 N -0.0012 0.0074 0.0108 1255 PRO 130 CA 0.0029 0.0079 0.0104 1256 PRO 130 C 0.0042 0.0052 0.0069 1257 PRO 130 O 0.0080 0.0052 0.0060 1258 PRO 130 CB 0.0024 0.0102 0.0132 1259 PRO 130 CG -0.0024 0.0096 0.0136 1260 PRO 130 CD -0.0045 0.0086 0.0129 1261 PRO 130 HA 0.0055 0.0088 0.0108 1262 PRO 130 HB3 0.0031 0.0123 0.0154 1263 PRO 130 HB2 0.0045 0.0103 0.0128 1264 PRO 130 HG3 -0.0036 0.0114 0.0160 1265 PRO 130 HG2 -0.0029 0.0078 0.0117 1266 PRO 130 HD2 -0.0074 0.0070 0.0118 1267 PRO 130 HD3 -0.0053 0.0104 0.0152 1268 ASN 131 N 0.0011 0.0030 0.0051 1269 ASN 131 CA 0.0016 0.0007 0.0023 1270 ASN 131 C -0.0001 -0.0024 -0.0009 1271 ASN 131 O 0.0001 -0.0043 -0.0033 1272 ASN 131 CB -0.0000 0.0013 0.0034 1273 ASN 131 CG -0.0049 0.0009 0.0041 1274 ASN 131 OD1 -0.0073 0.0007 0.0044 1275 ASN 131 ND2 -0.0065 0.0008 0.0044 1276 ASN 131 H -0.0020 0.0030 0.0058 1277 ASN 131 HA 0.0050 0.0007 0.0014 1278 ASN 131 HB3 0.0012 0.0035 0.0057 1279 ASN 131 HB2 0.0012 -0.0000 0.0015 1280 ASN 131 HD22 -0.0097 0.0006 0.0048 1281 ASN 131 HD21 -0.0045 0.0010 0.0041 1282 SER 132 N 0.0046 0.0013 -0.0007 1283 SER 132 CA 0.0042 0.0006 -0.0015 1284 SER 132 C 0.0045 0.0002 -0.0019 1285 SER 132 O 0.0042 0.0005 -0.0015 1286 SER 132 CB 0.0030 0.0007 -0.0016 1287 SER 132 OG 0.0023 0.0011 -0.0013 1288 SER 132 H 0.0045 0.0017 -0.0004 1289 SER 132 HA 0.0046 0.0001 -0.0019 1290 SER 132 HB3 0.0028 0.0010 -0.0014 1291 SER 132 HB2 0.0027 0.0001 -0.0022 1292 SER 132 HG 0.0022 0.0008 -0.0017 1293 PHE 133 N 0.0050 -0.0006 -0.0025 1294 PHE 133 CA 0.0054 -0.0010 -0.0028 1295 PHE 133 C 0.0051 -0.0019 -0.0036 1296 PHE 133 O 0.0048 -0.0022 -0.0040 1297 PHE 133 CB 0.0067 -0.0011 -0.0026 1298 PHE 133 CG 0.0072 -0.0003 -0.0018 1299 PHE 133 CD1 0.0073 0.0001 -0.0013 1300 PHE 133 CD2 0.0075 0.0000 -0.0014 1301 PHE 133 CE1 0.0077 0.0009 -0.0006 1302 PHE 133 CE2 0.0079 0.0007 -0.0006 1303 PHE 133 CZ 0.0080 0.0012 -0.0002 1304 PHE 133 H 0.0052 -0.0009 -0.0027 1305 PHE 133 HA 0.0051 -0.0007 -0.0025 1306 PHE 133 HB3 0.0070 -0.0015 -0.0029 1307 PHE 133 HB2 0.0070 -0.0014 -0.0029 1308 PHE 133 HD1 0.0070 -0.0001 -0.0016 1309 PHE 133 HD2 0.0074 -0.0003 -0.0017 1310 PHE 133 HE1 0.0077 0.0012 -0.0003 1311 PHE 133 HE2 0.0081 0.0010 -0.0004 1312 PHE 133 HZ 0.0083 0.0017 0.0004 1313 ARG 134 N 0.0049 -0.0018 -0.0041 1314 ARG 134 CA 0.0047 -0.0021 -0.0034 1315 ARG 134 C 0.0039 -0.0033 -0.0028 1316 ARG 134 O 0.0034 -0.0041 -0.0034 1317 ARG 134 CB 0.0047 -0.0020 -0.0044 1318 ARG 134 CG 0.0046 -0.0022 -0.0037 1319 ARG 134 CD 0.0045 -0.0023 -0.0048 1320 ARG 134 NE 0.0052 -0.0012 -0.0055 1321 ARG 134 CZ 0.0057 -0.0005 -0.0053 1322 ARG 134 NH1 0.0056 -0.0007 -0.0043 1323 ARG 134 NH2 0.0064 0.0005 -0.0061 1324 ARG 134 H 0.0045 -0.0024 -0.0047 1325 ARG 134 HA 0.0052 -0.0015 -0.0025 1326 ARG 134 HB3 0.0043 -0.0026 -0.0053 1327 ARG 134 HB2 0.0053 -0.0011 -0.0049 1328 ARG 134 HG3 0.0052 -0.0014 -0.0031 1329 ARG 134 HG2 0.0042 -0.0029 -0.0030 1330 ARG 134 HD3 0.0042 -0.0028 -0.0043 1331 ARG 134 HD2 0.0041 -0.0028 -0.0056 1332 ARG 134 HH22 0.0066 0.0009 -0.0064 1333 ARG 134 HH21 0.0065 0.0007 -0.0067 1334 ARG 134 HH12 0.0060 -0.0002 -0.0042 1335 ARG 134 HH11 0.0052 -0.0014 -0.0036 1336 ARG 134 HE 0.0053 -0.0010 -0.0063 1337 LEU 135 N 0.0038 -0.0036 -0.0015 1338 LEU 135 CA 0.0030 -0.0048 -0.0010 1339 LEU 135 C 0.0025 -0.0054 -0.0020 1340 LEU 135 O 0.0027 -0.0050 -0.0025 1341 LEU 135 CB 0.0031 -0.0048 0.0005 1342 LEU 135 CG 0.0033 -0.0046 0.0017 1343 LEU 135 CD1 0.0034 -0.0046 0.0031 1344 LEU 135 CD2 0.0027 -0.0056 0.0020 1345 LEU 135 H 0.0043 -0.0029 -0.0010 1346 LEU 135 HA 0.0027 -0.0052 -0.0010 1347 LEU 135 HB3 0.0025 -0.0057 0.0006 1348 LEU 135 HB2 0.0035 -0.0042 0.0004 1349 LEU 135 HG 0.0039 -0.0038 0.0016 1350 LEU 135 HD11 0.0036 -0.0044 0.0040 1351 LEU 135 HD12 0.0038 -0.0039 0.0030 1352 LEU 135 HD13 0.0028 -0.0054 0.0034 1353 LEU 135 HD21 0.0029 -0.0053 0.0027 1354 LEU 135 HD22 0.0021 -0.0064 0.0024 1355 LEU 135 HD23 0.0024 -0.0058 0.0010 1356 GLU 136 N 0.0015 -0.0073 -0.0002 1357 GLU 136 CA -0.0003 -0.0084 -0.0011 1358 GLU 136 C -0.0005 -0.0103 -0.0002 1359 GLU 136 O 0.0004 -0.0102 0.0006 1360 GLU 136 CB -0.0013 -0.0070 -0.0027 1361 GLU 136 CG -0.0032 -0.0081 -0.0038 1362 GLU 136 CD -0.0041 -0.0066 -0.0054 1363 GLU 136 OE1 -0.0046 -0.0066 -0.0059 1364 GLU 136 OE2 -0.0043 -0.0055 -0.0063 1365 GLU 136 H 0.0021 -0.0070 0.0002 1366 GLU 136 HA -0.0008 -0.0088 -0.0014 1367 GLU 136 HB3 -0.0006 -0.0064 -0.0025 1368 GLU 136 HB2 -0.0011 -0.0058 -0.0033 1369 GLU 136 HG3 -0.0038 -0.0089 -0.0039 1370 GLU 136 HG2 -0.0034 -0.0092 -0.0033 1371 LYS 137 N -0.0017 -0.0120 -0.0003 1372 LYS 137 CA -0.0021 -0.0139 0.0005 1373 LYS 137 C -0.0038 -0.0143 -0.0007 1374 LYS 137 O -0.0051 -0.0143 -0.0019 1375 LYS 137 CB -0.0021 -0.0156 0.0014 1376 LYS 137 CG -0.0019 -0.0174 0.0027 1377 LYS 137 CD -0.0024 -0.0194 0.0033 1378 LYS 137 CE -0.0014 -0.0196 0.0043 1379 LYS 137 NZ -0.0020 -0.0216 0.0050 1380 LYS 137 H -0.0025 -0.0119 -0.0010 1381 LYS 137 HA -0.0010 -0.0138 0.0013 1382 LYS 137 HB3 -0.0033 -0.0160 0.0006 1383 LYS 137 HB2 -0.0010 -0.0150 0.0020 1384 LYS 137 HG3 -0.0005 -0.0170 0.0036 1385 LYS 137 HG2 -0.0026 -0.0177 0.0022 1386 LYS 137 HD3 -0.0022 -0.0204 0.0041 1387 LYS 137 HD2 -0.0038 -0.0198 0.0024 1388 LYS 137 HE3 -0.0015 -0.0185 0.0036 1389 LYS 137 HE2 -0.0000 -0.0192 0.0053 1390 LYS 137 HZ1 -0.0033 -0.0221 0.0041 1391 LYS 137 HZ2 -0.0021 -0.0226 0.0054 1392 LYS 137 HZ3 -0.0013 -0.0220 0.0058 1393 ILE 138 N -0.0018 -0.0159 0.0026 1394 ILE 138 CA -0.0030 -0.0154 0.0022 1395 ILE 138 C -0.0030 -0.0161 0.0026 1396 ILE 138 O -0.0020 -0.0169 0.0030 1397 ILE 138 CB -0.0028 -0.0139 0.0015 1398 ILE 138 CG1 -0.0013 -0.0135 0.0013 1399 ILE 138 CG2 -0.0030 -0.0132 0.0011 1400 ILE 138 CD1 -0.0014 -0.0121 0.0006 1401 ILE 138 H -0.0008 -0.0160 0.0027 1402 ILE 138 HA -0.0040 -0.0156 0.0023 1403 ILE 138 HB -0.0037 -0.0136 0.0013 1404 ILE 138 HG13 -0.0010 -0.0142 0.0017 1405 ILE 138 HG12 -0.0004 -0.0135 0.0014 1406 ILE 138 HG21 -0.0031 -0.0121 0.0005 1407 ILE 138 HG22 -0.0040 -0.0135 0.0011 1408 ILE 138 HG23 -0.0021 -0.0133 0.0012 1409 ILE 138 HD11 -0.0004 -0.0120 0.0006 1410 ILE 138 HD12 -0.0023 -0.0120 0.0005 1411 ILE 138 HD13 -0.0014 -0.0114 0.0002 1412 LEU 139 N -0.0042 -0.0159 0.0024 1413 LEU 139 CA -0.0044 -0.0166 0.0027 1414 LEU 139 C -0.0044 -0.0155 0.0022 1415 LEU 139 O -0.0053 -0.0146 0.0017 1416 LEU 139 CB -0.0059 -0.0173 0.0030 1417 LEU 139 CG -0.0062 -0.0184 0.0036 1418 LEU 139 CD1 -0.0051 -0.0195 0.0042 1419 LEU 139 CD2 -0.0078 -0.0189 0.0037 1420 LEU 139 H -0.0049 -0.0152 0.0020 1421 LEU 139 HA -0.0036 -0.0173 0.0032 1422 LEU 139 HB3 -0.0068 -0.0166 0.0026 1423 LEU 139 HB2 -0.0060 -0.0178 0.0032 1424 LEU 139 HG -0.0060 -0.0180 0.0034 1425 LEU 139 HD11 -0.0057 -0.0205 0.0047 1426 LEU 139 HD12 -0.0043 -0.0195 0.0043 1427 LEU 139 HD13 -0.0045 -0.0195 0.0043 1428 LEU 139 HD21 -0.0080 -0.0196 0.0041 1429 LEU 139 HD22 -0.0081 -0.0193 0.0039 1430 LEU 139 HD23 -0.0085 -0.0181 0.0033 1431 VAL 140 N -0.0001 -0.0161 0.0053 1432 VAL 140 CA 0.0003 -0.0152 0.0052 1433 VAL 140 C 0.0008 -0.0143 0.0047 1434 VAL 140 O 0.0011 -0.0147 0.0040 1435 VAL 140 CB 0.0006 -0.0155 0.0044 1436 VAL 140 CG1 0.0011 -0.0146 0.0040 1437 VAL 140 CG2 0.0001 -0.0163 0.0048 1438 VAL 140 H 0.0000 -0.0166 0.0047 1439 VAL 140 HA 0.0001 -0.0147 0.0059 1440 VAL 140 HB 0.0008 -0.0160 0.0037 1441 VAL 140 HG11 0.0013 -0.0149 0.0035 1442 VAL 140 HG12 0.0015 -0.0141 0.0035 1443 VAL 140 HG13 0.0010 -0.0141 0.0046 1444 VAL 140 HG21 0.0002 -0.0166 0.0043 1445 VAL 140 HG22 -0.0001 -0.0158 0.0055 1446 VAL 140 HG23 -0.0003 -0.0170 0.0050 1447 SER 141 N 0.0010 -0.0133 0.0051 1448 SER 141 CA 0.0015 -0.0124 0.0047 1449 SER 141 C 0.0021 -0.0121 0.0038 1450 SER 141 O 0.0022 -0.0117 0.0040 1451 SER 141 CB 0.0015 -0.0114 0.0055 1452 SER 141 OG 0.0010 -0.0117 0.0062 1453 SER 141 H 0.0008 -0.0131 0.0057 1454 SER 141 HA 0.0016 -0.0127 0.0044 1455 SER 141 HB3 0.0019 -0.0107 0.0052 1456 SER 141 HB2 0.0013 -0.0112 0.0060 1457 SER 141 HG 0.0007 -0.0123 0.0064 1458 VAL 142 N 0.0011 -0.0103 0.0034 1459 VAL 142 CA 0.0003 -0.0105 0.0022 1460 VAL 142 C 0.0006 -0.0093 0.0017 1461 VAL 142 O 0.0001 -0.0095 0.0009 1462 VAL 142 CB -0.0005 -0.0107 0.0011 1463 VAL 142 CG1 -0.0010 -0.0121 0.0014 1464 VAL 142 CG2 -0.0001 -0.0095 0.0006 1465 VAL 142 H 0.0012 -0.0097 0.0031 1466 VAL 142 HA -0.0000 -0.0115 0.0026 1467 VAL 142 HB -0.0010 -0.0108 0.0002 1468 VAL 142 HG11 -0.0016 -0.0123 0.0005 1469 VAL 142 HG12 -0.0013 -0.0130 0.0017 1470 VAL 142 HG13 -0.0006 -0.0122 0.0022 1471 VAL 142 HG21 -0.0007 -0.0097 -0.0003 1472 VAL 142 HG22 0.0004 -0.0095 0.0014 1473 VAL 142 HG23 0.0002 -0.0085 0.0003 1474 GLY 143 N 0.0015 -0.0082 0.0022 1475 GLY 143 CA 0.0019 -0.0070 0.0018 1476 GLY 143 C 0.0028 -0.0058 0.0023 1477 GLY 143 O 0.0030 -0.0060 0.0028 1478 GLY 143 H 0.0019 -0.0081 0.0029 1479 GLY 143 HA3 0.0014 -0.0068 0.0008 1480 GLY 143 HA2 0.0021 -0.0072 0.0024 1481 CYS 144 N 0.0033 -0.0027 0.0022 1482 CYS 144 CA 0.0038 -0.0016 0.0027 1483 CYS 144 C 0.0033 -0.0005 0.0021 1484 CYS 144 O 0.0025 -0.0005 0.0013 1485 CYS 144 CB 0.0043 -0.0016 0.0032 1486 CYS 144 SG 0.0050 -0.0029 0.0040 1487 CYS 144 H 0.0028 -0.0028 0.0016 1488 CYS 144 HA 0.0042 -0.0016 0.0032 1489 CYS 144 HB3 0.0047 -0.0007 0.0036 1490 CYS 144 HB2 0.0039 -0.0016 0.0028 1491 THR 145 N 0.0037 0.0005 0.0025 1492 THR 145 CA 0.0033 0.0017 0.0021 1493 THR 145 C 0.0040 0.0027 0.0027 1494 THR 145 O 0.0047 0.0025 0.0035 1495 THR 145 CB 0.0031 0.0019 0.0018 1496 THR 145 OG1 0.0025 0.0029 0.0012 1497 THR 145 CG2 0.0038 0.0020 0.0026 1498 THR 145 H 0.0043 0.0005 0.0032 1499 THR 145 HA 0.0028 0.0018 0.0015 1500 THR 145 HB 0.0027 0.0011 0.0014 1501 THR 145 HG1 0.0019 0.0026 0.0006 1502 THR 145 HG21 0.0036 0.0021 0.0023 1503 THR 145 HG22 0.0042 0.0012 0.0030 1504 THR 145 HG23 0.0042 0.0029 0.0029 1505 CYS 146 N 0.0039 0.0035 0.0035 1506 CYS 146 CA 0.0037 0.0038 0.0037 1507 CYS 146 C 0.0039 0.0048 0.0045 1508 CYS 146 O 0.0033 0.0053 0.0049 1509 CYS 146 CB 0.0026 0.0036 0.0035 1510 CYS 146 SG 0.0023 0.0039 0.0037 1511 CYS 146 H 0.0032 0.0036 0.0035 1512 CYS 146 HA 0.0044 0.0034 0.0035 1513 CYS 146 HB3 0.0019 0.0039 0.0036 1514 CYS 146 HB2 0.0025 0.0029 0.0029 1515 VAL 147 N 0.0048 0.0050 0.0048 1516 VAL 147 CA 0.0052 0.0059 0.0055 1517 VAL 147 C 0.0052 0.0062 0.0058 1518 VAL 147 O 0.0053 0.0057 0.0053 1519 VAL 147 CB 0.0064 0.0060 0.0057 1520 VAL 147 CG1 0.0065 0.0059 0.0056 1521 VAL 147 CG2 0.0073 0.0055 0.0053 1522 VAL 147 H 0.0053 0.0045 0.0045 1523 VAL 147 HA 0.0046 0.0064 0.0058 1524 VAL 147 HB 0.0066 0.0067 0.0063 1525 VAL 147 HG11 0.0074 0.0060 0.0058 1526 VAL 147 HG12 0.0060 0.0063 0.0059 1527 VAL 147 HG13 0.0063 0.0052 0.0051 1528 VAL 147 HG21 0.0081 0.0055 0.0055 1529 VAL 147 HG22 0.0071 0.0048 0.0048 1530 VAL 147 HG23 0.0074 0.0057 0.0055 1531 THR 148 N 0.0027 0.0061 0.0074 1532 THR 148 CA 0.0030 0.0061 0.0073 1533 THR 148 C 0.0049 0.0065 0.0066 1534 THR 148 O 0.0058 0.0074 0.0068 1535 THR 148 CB 0.0025 0.0073 0.0087 1536 THR 148 OG1 0.0033 0.0086 0.0094 1537 THR 148 CG2 0.0006 0.0070 0.0095 1538 THR 148 H 0.0026 0.0070 0.0083 1539 THR 148 HA 0.0023 0.0051 0.0068 1540 THR 148 HB 0.0027 0.0074 0.0086 1541 THR 148 HG1 0.0043 0.0090 0.0090 1542 THR 148 HG21 0.0003 0.0079 0.0104 1543 THR 148 HG22 -0.0001 0.0061 0.0090 1544 THR 148 HG23 0.0003 0.0070 0.0096 1545 PRO 149 N 0.0054 0.0058 0.0057 1546 PRO 149 CA 0.0071 0.0062 0.0050 1547 PRO 149 C 0.0078 0.0077 0.0059 1548 PRO 149 O 0.0070 0.0083 0.0069 1549 PRO 149 CB 0.0071 0.0051 0.0040 1550 PRO 149 CG 0.0054 0.0046 0.0046 1551 PRO 149 CD 0.0044 0.0047 0.0052 1552 PRO 149 HA 0.0078 0.0061 0.0045 1553 PRO 149 HB3 0.0073 0.0042 0.0031 1554 PRO 149 HB2 0.0081 0.0055 0.0038 1555 PRO 149 HG3 0.0051 0.0036 0.0039 1556 PRO 149 HG2 0.0054 0.0054 0.0053 1557 PRO 149 HD2 0.0033 0.0049 0.0060 1558 PRO 149 HD3 0.0040 0.0037 0.0046 1559 ILE 150 N 0.0114 0.0119 0.0014 1560 ILE 150 CA 0.0103 0.0107 -0.0001 1561 ILE 150 C 0.0087 0.0090 -0.0024 1562 ILE 150 O 0.0075 0.0105 -0.0038 1563 ILE 150 CB 0.0093 0.0134 -0.0010 1564 ILE 150 CG1 0.0109 0.0151 0.0013 1565 ILE 150 CG2 0.0079 0.0124 -0.0030 1566 ILE 150 CD1 0.0122 0.0131 0.0027 1567 ILE 150 H 0.0106 0.0136 0.0007 1568 ILE 150 HA 0.0112 0.0090 0.0009 1569 ILE 150 HB 0.0085 0.0151 -0.0018 1570 ILE 150 HG13 0.0102 0.0172 0.0007 1571 ILE 150 HG12 0.0118 0.0160 0.0026 1572 ILE 150 HG21 0.0074 0.0143 -0.0034 1573 ILE 150 HG22 0.0066 0.0117 -0.0048 1574 ILE 150 HG23 0.0085 0.0104 -0.0025 1575 ILE 150 HD11 0.0128 0.0145 0.0036 1576 ILE 150 HD12 0.0115 0.0113 0.0015 1577 ILE 150 HD13 0.0135 0.0119 0.0041 1578 VAL 151 N 0.0087 0.0059 -0.0028 1579 VAL 151 CA 0.0074 0.0039 -0.0048 1580 VAL 151 C 0.0060 0.0030 -0.0067 1581 VAL 151 O 0.0066 0.0022 -0.0060 1582 VAL 151 CB 0.0085 0.0009 -0.0037 1583 VAL 151 CG1 0.0072 -0.0014 -0.0057 1584 VAL 151 CG2 0.0101 0.0017 -0.0017 1585 VAL 151 H 0.0097 0.0049 -0.0016 1586 VAL 151 HA 0.0066 0.0051 -0.0057 1587 VAL 151 HB 0.0093 -0.0004 -0.0029 1588 VAL 151 HG11 0.0081 -0.0034 -0.0049 1589 VAL 151 HG12 0.0062 -0.0023 -0.0071 1590 VAL 151 HG13 0.0063 -0.0002 -0.0067 1591 VAL 151 HG21 0.0108 -0.0004 -0.0009 1592 VAL 151 HG22 0.0094 0.0031 -0.0023 1593 VAL 151 HG23 0.0111 0.0031 -0.0001 1594 HIS 152 N 0.0004 0.0048 -0.0203 1595 HIS 152 CA -0.0042 0.0010 -0.0236 1596 HIS 152 C -0.0028 0.0051 -0.0166 1597 HIS 152 O -0.0007 0.0101 -0.0086 1598 HIS 152 CB -0.0152 -0.0043 -0.0241 1599 HIS 152 CG -0.0216 -0.0028 -0.0153 1600 HIS 152 ND1 -0.0211 -0.0014 -0.0129 1601 HIS 152 CD2 -0.0290 -0.0028 -0.0083 1602 HIS 152 CE1 -0.0278 -0.0006 -0.0049 1603 HIS 152 NE2 -0.0330 -0.0014 -0.0017 1604 HIS 152 H 0.0014 0.0087 -0.0133 1605 HIS 152 HA -0.0002 -0.0007 -0.0308 1606 HIS 152 HB3 -0.0156 -0.0075 -0.0303 1607 HIS 152 HB2 -0.0186 -0.0067 -0.0257 1608 HIS 152 HD1 -0.0163 -0.0010 -0.0165 1609 HIS 152 HD2 -0.0319 -0.0038 -0.0076 1610 HIS 152 HE1 -0.0291 0.0006 -0.0014 1611 HIS 153 N -0.0037 0.0031 -0.0198 1612 HIS 153 CA -0.0043 0.0059 -0.0136 1613 HIS 153 C -0.0150 0.0037 -0.0082 1614 HIS 153 O -0.0217 -0.0012 -0.0117 1615 HIS 153 CB -0.0008 0.0043 -0.0202 1616 HIS 153 CG 0.0018 0.0081 -0.0149 1617 HIS 153 ND1 -0.0051 0.0071 -0.0105 1618 HIS 153 CD2 0.0108 0.0129 -0.0135 1619 HIS 153 CE1 -0.0002 0.0113 -0.0065 1620 HIS 153 NE2 0.0095 0.0150 -0.0080 1621 HIS 153 H -0.0065 -0.0012 -0.0260 1622 HIS 153 HA 0.0006 0.0108 -0.0084 1623 HIS 153 HB3 -0.0064 -0.0004 -0.0245 1624 HIS 153 HB2 0.0058 0.0047 -0.0254 1625 HIS 153 HD1 -0.0126 0.0039 -0.0100 1626 HIS 153 HD2 0.0181 0.0151 -0.0159 1627 HIS 153 HE1 -0.0038 0.0117 -0.0025 1628 VAL 154 N -0.0062 0.0023 -0.0162 1629 VAL 154 CA -0.0002 -0.0054 -0.0097 1630 VAL 154 C 0.0020 -0.0066 0.0039 1631 VAL 154 O -0.0027 0.0009 0.0094 1632 VAL 154 CB -0.0025 -0.0021 -0.0092 1633 VAL 154 CG1 -0.0076 0.0067 0.0009 1634 VAL 154 CG2 0.0043 -0.0115 -0.0080 1635 VAL 154 H -0.0113 0.0096 -0.0160 1636 VAL 154 HA 0.0045 -0.0128 -0.0151 1637 VAL 154 HB -0.0056 0.0011 -0.0184 1638 VAL 154 HG11 -0.0096 0.0094 -0.0004 1639 VAL 154 HG12 -0.0124 0.0135 0.0004 1640 VAL 154 HG13 -0.0048 0.0040 0.0105 1641 VAL 154 HG21 0.0025 -0.0091 -0.0084 1642 VAL 154 HG22 0.0078 -0.0152 0.0009 1643 VAL 154 HG23 0.0076 -0.0174 -0.0158 1644 ALA 155 N 0.0090 -0.0159 0.0086 1645 ALA 155 CA 0.0122 -0.0188 0.0215 1646 ALA 155 C 0.0145 -0.0208 0.0304 1647 ALA 155 O 0.0147 -0.0194 0.0420 1648 ALA 155 CB 0.0189 -0.0285 0.0201 1649 ALA 155 OXT 0.0161 -0.0239 0.0249 1650 ALA 155 H 0.0123 -0.0212 0.0043 1651 ALA 155 HA 0.0083 -0.0125 0.0263 1652 ALA 155 HB1 0.0214 -0.0308 0.0293 1653 ALA 155 HB2 0.0173 -0.0269 0.0144 1654 ALA 155 HB3 0.0232 -0.0352 0.0155 1655 ASP 103 N 0.0046 0.0137 -0.0053 1656 ASP 103 CA 0.0006 0.0214 -0.0081 1657 ASP 103 C 0.0013 0.0246 -0.0108 1658 ASP 103 O -0.0017 0.0310 -0.0132 1659 ASP 103 CB -0.0075 0.0233 -0.0040 1660 ASP 103 CG -0.0093 0.0213 -0.0013 1661 ASP 103 OD1 -0.0045 0.0192 -0.0031 1662 ASP 103 OD2 -0.0159 0.0223 0.0023 1663 ASP 103 H 0.0015 0.0105 -0.0010 1664 ASP 103 HA 0.0031 0.0240 -0.0116 1665 ASP 103 HB2 -0.0102 0.0209 -0.0005 1666 ASP 103 HB3 -0.0100 0.0291 -0.0063 1667 ASN 57 N 0.0592 0.0178 -0.0077 1668 ASN 57 CA 0.0704 0.0225 -0.0068 1669 ASN 57 C 0.0810 0.0019 0.0010 1670 ASN 57 O 0.0982 0.0016 0.0043 1671 ASN 57 CB 0.0872 0.0421 -0.0092 1672 ASN 57 CG 0.0782 0.0633 -0.0168 1673 ASN 57 OD1 0.0903 0.0766 -0.0183 1674 ASN 57 ND2 0.0574 0.0673 -0.0219 1675 ASN 57 H 0.0684 0.0127 -0.0045 1676 ASN 57 HA 0.0588 0.0258 -0.0100 1677 ASN 57 HXT 0.0724 -0.0129 0.0035 1678 ASN 57 HB2 0.1005 0.0382 -0.0055 1679 ASN 57 HB3 0.0947 0.0452 -0.0086 1680 ASN 57 HD22 0.0519 0.0815 -0.0269 1681 ASN 57 HD21 0.0465 0.0559 -0.0208 1682 SER 64 N -0.0015 -0.0029 -0.0002 1683 SER 64 CA -0.0004 -0.0023 -0.0009 1684 SER 64 C 0.0003 -0.0017 -0.0000 1685 SER 64 O -0.0001 -0.0018 0.0005 1686 SER 64 CB -0.0005 -0.0027 -0.0023 1687 SER 64 OG -0.0011 -0.0031 -0.0021 1688 SER 64 H1 -0.0019 -0.0032 -0.0007 1689 SER 64 H2 -0.0015 -0.0027 0.0007 1690 SER 64 HA 0.0002 -0.0020 -0.0011 1691 SER 64 HB2 0.0004 -0.0023 -0.0028 1692 SER 64 HB3 -0.0009 -0.0031 -0.0030 1693 SER 64 HG -0.0018 -0.0033 -0.0014 1694 ASP 65 N 0.0015 -0.0010 0.0001 1695 ASP 65 CA 0.0023 -0.0002 0.0008 1696 ASP 65 C 0.0026 -0.0002 0.0002 1697 ASP 65 O 0.0034 0.0004 0.0006 1698 ASP 65 CB 0.0035 0.0005 0.0008 1699 ASP 65 CG 0.0035 0.0006 0.0012 1700 ASP 65 OD1 0.0026 0.0001 0.0017 1701 ASP 65 OD2 0.0045 0.0012 0.0010 1702 ASP 65 H 0.0017 -0.0008 -0.0001 1703 ASP 65 HA 0.0020 -0.0002 0.0018 1704 ASP 65 HB2 0.0040 0.0006 -0.0002 1705 ASP 65 HB3 0.0041 0.0010 0.0014 1706 TYR 85 N 0.0081 -0.0001 0.0014 1707 TYR 85 CA 0.0080 0.0001 0.0003 1708 TYR 85 C 0.0083 0.0009 -0.0005 1709 TYR 85 O 0.0081 0.0007 -0.0008 1710 TYR 85 CB 0.0073 -0.0010 -0.0002 1711 TYR 85 CG 0.0071 -0.0009 -0.0013 1712 TYR 85 CD1 0.0070 -0.0010 -0.0012 1713 TYR 85 CD2 0.0070 -0.0007 -0.0025 1714 TYR 85 CE1 0.0069 -0.0009 -0.0023 1715 TYR 85 CE2 0.0069 -0.0006 -0.0035 1716 TYR 85 CZ 0.0068 -0.0007 -0.0034 1717 TYR 85 OH 0.0066 -0.0007 -0.0044 1718 TYR 85 H 0.0080 -0.0002 0.0013 1719 TYR 85 HA 0.0082 0.0003 0.0006 1720 TYR 85 HB2 0.0071 -0.0015 0.0005 1721 TYR 85 HB3 0.0070 -0.0013 -0.0004 1722 TYR 85 HD1 0.0071 -0.0012 -0.0004 1723 TYR 85 HD2 0.0071 -0.0005 -0.0025 1724 TYR 85 HE1 0.0068 -0.0011 -0.0022 1725 TYR 85 HE2 0.0068 -0.0003 -0.0043 1726 TYR 85 HH 0.0064 -0.0007 -0.0052 1727 PHE 41 N 0.0116 0.0178 0.0279 1728 PHE 41 CA 0.0154 0.0180 0.0187 1729 PHE 41 C 0.0112 0.0118 0.0121 1730 PHE 41 O 0.0128 0.0119 0.0084 1731 PHE 41 CB 0.0226 0.0242 0.0172 1732 PHE 41 CG 0.0270 0.0304 0.0229 1733 PHE 41 CD1 0.0294 0.0321 0.0215 1734 PHE 41 CD2 0.0282 0.0341 0.0304 1735 PHE 41 CE1 0.0330 0.0375 0.0272 1736 PHE 41 CE2 0.0319 0.0396 0.0359 1737 PHE 41 CZ 0.0343 0.0412 0.0343 1738 PHE 41 H 0.0110 0.0179 0.0298 1739 PHE 41 HA 0.0163 0.0184 0.0174 1740 PHE 41 HB3 0.0253 0.0243 0.0103 1741 PHE 41 HB2 0.0223 0.0243 0.0182 1742 PHE 41 HD1 0.0285 0.0292 0.0160 1743 PHE 41 HD2 0.0263 0.0328 0.0317 1744 PHE 41 HE1 0.0348 0.0388 0.0260 1745 PHE 41 HE2 0.0328 0.0425 0.0415 1746 PHE 41 HZ 0.0371 0.0454 0.0387 1747 PRO 42 N 0.0059 0.0064 0.0108 1748 PRO 42 CA 0.0019 0.0003 0.0043 1749 PRO 42 C 0.0062 0.0009 -0.0053 1750 PRO 42 O 0.0104 0.0040 -0.0074 1751 PRO 42 CB -0.0041 -0.0046 0.0061 1752 PRO 42 CG -0.0012 -0.0006 0.0098 1753 PRO 42 CD 0.0035 0.0057 0.0152 1754 PRO 42 HA -0.0001 -0.0011 0.0056 1755 PRO 42 HB3 -0.0084 -0.0069 0.0110 1756 PRO 42 HB2 -0.0060 -0.0085 0.0002 1757 PRO 42 HG3 -0.0050 -0.0028 0.0135 1758 PRO 42 HG2 0.0021 0.0005 0.0044 1759 PRO 42 HD2 0.0075 0.0097 0.0156 1760 PRO 42 HD3 0.0005 0.0054 0.0219 1761 ARG 43 N 0.0050 -0.0053 -0.0117 1762 ARG 43 CA 0.0047 -0.0047 -0.0129 1763 ARG 43 C 0.0049 -0.0045 -0.0118 1764 ARG 43 O 0.0046 -0.0032 -0.0122 1765 ARG 43 CB 0.0047 -0.0061 -0.0148 1766 ARG 43 CG 0.0045 -0.0057 -0.0162 1767 ARG 43 CD 0.0045 -0.0072 -0.0180 1768 ARG 43 NE 0.0043 -0.0072 -0.0192 1769 ARG 43 CZ 0.0045 -0.0081 -0.0187 1770 ARG 43 NH1 0.0049 -0.0091 -0.0170 1771 ARG 43 NH2 0.0043 -0.0080 -0.0200 1772 ARG 43 H 0.0052 -0.0066 -0.0121 1773 ARG 43 HA 0.0044 -0.0031 -0.0134 1774 ARG 43 HB3 0.0051 -0.0076 -0.0143 1775 ARG 43 HB2 0.0046 -0.0059 -0.0157 1776 ARG 43 HG3 0.0041 -0.0042 -0.0167 1777 ARG 43 HG2 0.0046 -0.0058 -0.0154 1778 ARG 43 HD3 0.0048 -0.0087 -0.0176 1779 ARG 43 HD2 0.0042 -0.0067 -0.0191 1780 ARG 43 HH22 0.0045 -0.0087 -0.0197 1781 ARG 43 HH21 0.0040 -0.0074 -0.0214 1782 ARG 43 HH12 0.0051 -0.0098 -0.0166 1783 ARG 43 HH11 0.0051 -0.0089 -0.0158 1784 ARG 43 HE 0.0040 -0.0066 -0.0205 1785 THR 44 N 0.0053 -0.0060 -0.0105 1786 THR 44 CA 0.0055 -0.0062 -0.0095 1787 THR 44 C 0.0058 -0.0065 -0.0072 1788 THR 44 O 0.0061 -0.0077 -0.0067 1789 THR 44 CB 0.0057 -0.0081 -0.0104 1790 THR 44 OG1 0.0053 -0.0078 -0.0125 1791 THR 44 CG2 0.0059 -0.0084 -0.0096 1792 THR 44 H 0.0055 -0.0069 -0.0100 1793 THR 44 HA 0.0052 -0.0049 -0.0097 1794 THR 44 HB 0.0060 -0.0094 -0.0102 1795 THR 44 HG1 0.0051 -0.0066 -0.0127 1796 THR 44 HG21 0.0060 -0.0097 -0.0103 1797 THR 44 HG22 0.0061 -0.0087 -0.0079 1798 THR 44 HG23 0.0056 -0.0071 -0.0098 1799 VAL 45 N 0.0070 -0.0035 -0.0064 1800 VAL 45 CA 0.0072 -0.0035 -0.0054 1801 VAL 45 C 0.0073 -0.0035 -0.0049 1802 VAL 45 O 0.0072 -0.0033 -0.0054 1803 VAL 45 CB 0.0071 -0.0026 -0.0050 1804 VAL 45 CG1 0.0070 -0.0026 -0.0054 1805 VAL 45 CG2 0.0069 -0.0016 -0.0051 1806 VAL 45 H 0.0068 -0.0030 -0.0067 1807 VAL 45 HA 0.0074 -0.0042 -0.0051 1808 VAL 45 HB 0.0073 -0.0027 -0.0042 1809 VAL 45 HG11 0.0070 -0.0020 -0.0051 1810 VAL 45 HG12 0.0072 -0.0033 -0.0054 1811 VAL 45 HG13 0.0068 -0.0024 -0.0062 1812 VAL 45 HG21 0.0069 -0.0010 -0.0048 1813 VAL 45 HG22 0.0067 -0.0015 -0.0059 1814 VAL 45 HG23 0.0070 -0.0015 -0.0047 1815 MET 46 N 0.0076 -0.0039 -0.0040 1816 MET 46 CA 0.0077 -0.0038 -0.0034 1817 MET 46 C 0.0077 -0.0029 -0.0028 1818 MET 46 O 0.0077 -0.0026 -0.0024 1819 MET 46 CB 0.0080 -0.0047 -0.0027 1820 MET 46 CG 0.0081 -0.0057 -0.0033 1821 MET 46 SD 0.0084 -0.0068 -0.0025 1822 MET 46 CE 0.0085 -0.0069 -0.0022 1823 MET 46 H 0.0077 -0.0040 -0.0036 1824 MET 46 HA 0.0076 -0.0039 -0.0039 1825 MET 46 HB3 0.0081 -0.0046 -0.0022 1826 MET 46 HB2 0.0081 -0.0047 -0.0023 1827 MET 46 HG3 0.0080 -0.0058 -0.0038 1828 MET 46 HG2 0.0080 -0.0057 -0.0037 1829 MET 46 HE1 0.0087 -0.0075 -0.0018 1830 MET 46 HE2 0.0083 -0.0069 -0.0029 1831 MET 46 HE3 0.0085 -0.0062 -0.0018 1832 VAL 47 N 0.0093 -0.0016 -0.0039 1833 VAL 47 CA 0.0083 -0.0019 -0.0035 1834 VAL 47 C 0.0092 -0.0012 -0.0025 1835 VAL 47 O 0.0097 -0.0007 -0.0013 1836 VAL 47 CB 0.0068 -0.0022 -0.0027 1837 VAL 47 CG1 0.0058 -0.0024 -0.0022 1838 VAL 47 CG2 0.0059 -0.0029 -0.0037 1839 VAL 47 H 0.0096 -0.0012 -0.0030 1840 VAL 47 HA 0.0082 -0.0022 -0.0046 1841 VAL 47 HB 0.0069 -0.0018 -0.0017 1842 VAL 47 HG11 0.0047 -0.0027 -0.0017 1843 VAL 47 HG12 0.0063 -0.0020 -0.0014 1844 VAL 47 HG13 0.0056 -0.0028 -0.0032 1845 VAL 47 HG21 0.0048 -0.0031 -0.0032 1846 VAL 47 HG22 0.0058 -0.0032 -0.0049 1847 VAL 47 HG23 0.0065 -0.0027 -0.0039 1848 ASN 48 N 0.0093 -0.0013 -0.0029 1849 ASN 48 CA 0.0098 -0.0008 -0.0019 1850 ASN 48 C 0.0085 -0.0010 -0.0008 1851 ASN 48 O 0.0074 -0.0016 -0.0014 1852 ASN 48 CB 0.0106 -0.0008 -0.0030 1853 ASN 48 CG 0.0114 -0.0003 -0.0022 1854 ASN 48 OD1 0.0113 0.0001 -0.0008 1855 ASN 48 ND2 0.0123 -0.0002 -0.0032 1856 ASN 48 H 0.0089 -0.0017 -0.0039 1857 ASN 48 HA 0.0107 -0.0003 -0.0012 1858 ASN 48 HB3 0.0097 -0.0014 -0.0036 1859 ASN 48 HB2 0.0113 -0.0008 -0.0039 1860 ASN 48 HD22 0.0129 0.0001 -0.0028 1861 ASN 48 HD21 0.0123 -0.0006 -0.0044 1862 LEU 49 N 0.0090 -0.0005 0.0006 1863 LEU 49 CA 0.0064 -0.0002 0.0029 1864 LEU 49 C 0.0061 0.0002 0.0047 1865 LEU 49 O 0.0038 0.0004 0.0064 1866 LEU 49 CB 0.0068 0.0004 0.0052 1867 LEU 49 CG 0.0064 0.0000 0.0039 1868 LEU 49 CD1 0.0066 0.0007 0.0064 1869 LEU 49 CD2 0.0034 -0.0008 0.0021 1870 LEU 49 H 0.0110 -0.0002 0.0012 1871 LEU 49 HA 0.0042 -0.0008 0.0017 1872 LEU 49 HB3 0.0050 0.0006 0.0070 1873 LEU 49 HB2 0.0090 0.0009 0.0063 1874 LEU 49 HG 0.0084 -0.0002 0.0023 1875 LEU 49 HD11 0.0061 0.0004 0.0056 1876 LEU 49 HD12 0.0089 0.0012 0.0075 1877 LEU 49 HD13 0.0048 0.0009 0.0083 1878 LEU 49 HD21 0.0029 -0.0009 0.0016 1879 LEU 49 HD22 0.0014 -0.0006 0.0035 1880 LEU 49 HD23 0.0035 -0.0013 -0.0001 1881 ASN 50 N 0.0082 0.0003 0.0043 1882 ASN 50 CA 0.0080 0.0006 0.0057 1883 ASN 50 C 0.0057 -0.0001 0.0039 1884 ASN 50 O 0.0067 -0.0005 0.0019 1885 ASN 50 CB 0.0113 0.0010 0.0057 1886 ASN 50 CG 0.0135 0.0018 0.0082 1887 ASN 50 OD1 0.0125 0.0023 0.0104 1888 ASN 50 ND2 0.0165 0.0021 0.0079 1889 ASN 50 H 0.0100 0.0001 0.0027 1890 ASN 50 HA 0.0072 0.0011 0.0080 1891 ASN 50 HB3 0.0110 0.0011 0.0062 1892 ASN 50 HB2 0.0125 0.0005 0.0034 1893 ASN 50 HD22 0.0179 0.0026 0.0096 1894 ASN 50 HD21 0.0173 0.0017 0.0062 1895 ILE 51 N 0.0029 -0.0054 0.0021 1896 ILE 51 CA 0.0016 -0.0065 0.0012 1897 ILE 51 C 0.0006 -0.0067 -0.0004 1898 ILE 51 O 0.0006 -0.0068 -0.0004 1899 ILE 51 CB 0.0009 -0.0081 0.0026 1900 ILE 51 CG1 0.0018 -0.0080 0.0044 1901 ILE 51 CG2 -0.0004 -0.0092 0.0018 1902 ILE 51 CD1 0.0013 -0.0095 0.0060 1903 ILE 51 H 0.0033 -0.0056 0.0035 1904 ILE 51 HA 0.0018 -0.0059 0.0008 1905 ILE 51 HB 0.0007 -0.0086 0.0030 1906 ILE 51 HG13 0.0028 -0.0071 0.0049 1907 ILE 51 HG12 0.0019 -0.0078 0.0041 1908 ILE 51 HG21 -0.0008 -0.0103 0.0028 1909 ILE 51 HG22 -0.0012 -0.0096 0.0007 1910 ILE 51 HG23 -0.0003 -0.0087 0.0012 1911 ILE 51 HD11 0.0019 -0.0095 0.0071 1912 ILE 51 HD12 0.0014 -0.0097 0.0065 1913 ILE 51 HD13 0.0003 -0.0106 0.0056 1914 HIS 52 N -0.0001 -0.0069 -0.0019 1915 HIS 52 CA -0.0013 -0.0075 -0.0033 1916 HIS 52 C -0.0025 -0.0091 -0.0031 1917 HIS 52 O -0.0025 -0.0093 -0.0027 1918 HIS 52 CB -0.0013 -0.0064 -0.0052 1919 HIS 52 CG -0.0004 -0.0050 -0.0058 1920 HIS 52 ND1 0.0004 -0.0046 -0.0046 1921 HIS 52 CD2 -0.0003 -0.0039 -0.0074 1922 HIS 52 CE1 0.0009 -0.0034 -0.0056 1923 HIS 52 NE2 0.0006 -0.0029 -0.0073 1924 HIS 52 H -0.0000 -0.0067 -0.0019 1925 HIS 52 HA -0.0014 -0.0077 -0.0032 1926 HIS 52 HB3 -0.0023 -0.0070 -0.0063 1927 HIS 52 HB2 -0.0009 -0.0059 -0.0053 1928 HIS 52 HD1 0.0005 -0.0052 -0.0033 1929 HIS 52 HD2 -0.0007 -0.0037 -0.0087 1930 HIS 52 HE1 0.0016 -0.0029 -0.0050 1931 ASN 53 N -0.0057 -0.0130 -0.0033 1932 ASN 53 CA -0.0065 -0.0150 -0.0031 1933 ASN 53 C -0.0079 -0.0146 -0.0051 1934 ASN 53 O -0.0088 -0.0138 -0.0066 1935 ASN 53 CB -0.0072 -0.0171 -0.0028 1936 ASN 53 CG -0.0059 -0.0179 -0.0007 1937 ASN 53 OD1 -0.0063 -0.0199 -0.0001 1938 ASN 53 ND2 -0.0044 -0.0164 0.0003 1939 ASN 53 H -0.0063 -0.0128 -0.0041 1940 ASN 53 HA -0.0057 -0.0152 -0.0020 1941 ASN 53 HB3 -0.0080 -0.0185 -0.0029 1942 ASN 53 HB2 -0.0080 -0.0170 -0.0039 1943 ASN 53 HD22 -0.0036 -0.0169 0.0015 1944 ASN 53 HD21 -0.0041 -0.0148 -0.0002 1945 ARG 54 N -0.0081 -0.0152 -0.0050 1946 ARG 54 CA -0.0094 -0.0149 -0.0067 1947 ARG 54 C -0.0100 -0.0171 -0.0061 1948 ARG 54 O -0.0099 -0.0171 -0.0060 1949 ARG 54 CB -0.0087 -0.0127 -0.0070 1950 ARG 54 CG -0.0100 -0.0122 -0.0089 1951 ARG 54 CD -0.0093 -0.0100 -0.0094 1952 ARG 54 NE -0.0085 -0.0080 -0.0095 1953 ARG 54 CZ -0.0092 -0.0068 -0.0109 1954 ARG 54 NH1 -0.0108 -0.0073 -0.0126 1955 ARG 54 NH2 -0.0081 -0.0051 -0.0106 1956 ARG 54 H -0.0073 -0.0156 -0.0037 1957 ARG 54 HA -0.0105 -0.0150 -0.0079 1958 ARG 54 HXT -0.0105 -0.0187 -0.0059 1959 ARG 54 HB3 -0.0077 -0.0127 -0.0058 1960 ARG 54 HB2 -0.0081 -0.0113 -0.0071 1961 ARG 54 HG3 -0.0109 -0.0121 -0.0101 1962 ARG 54 HG2 -0.0106 -0.0136 -0.0089 1963 ARG 54 HD3 -0.0103 -0.0098 -0.0107 1964 ARG 54 HD2 -0.0084 -0.0101 -0.0082 1965 ARG 54 HH22 -0.0084 -0.0040 -0.0115 1966 ARG 54 HH21 -0.0069 -0.0049 -0.0092 1967 ARG 54 HH12 -0.0113 -0.0065 -0.0137 1968 ARG 54 HH11 -0.0115 -0.0085 -0.0129 1969 ARG 54 HE -0.0073 -0.0074 -0.0083 1970 SER 64 N 0.0194 0.0116 0.0078 1971 SER 64 CA 0.0160 0.0099 0.0077 1972 SER 64 C 0.0131 0.0112 0.0074 1973 SER 64 O 0.0102 0.0099 0.0073 1974 SER 64 CB 0.0150 0.0099 0.0076 1975 SER 64 OG 0.0174 0.0079 0.0080 1976 SER 64 H1 0.0203 0.0125 0.0078 1977 SER 64 H2 0.0212 0.0099 0.0080 1978 SER 64 HA 0.0162 0.0072 0.0079 1979 SER 64 HB3 0.0124 0.0089 0.0075 1980 SER 64 HB2 0.0150 0.0126 0.0074 1981 SER 64 HG 0.0168 0.0080 0.0079 1982 TYR 66 N 0.0081 0.0096 0.0050 1983 TYR 66 CA 0.0069 0.0086 0.0044 1984 TYR 66 C 0.0049 0.0093 0.0036 1985 TYR 66 O 0.0039 0.0095 0.0032 1986 TYR 66 CB 0.0071 0.0064 0.0043 1987 TYR 66 CG 0.0089 0.0054 0.0050 1988 TYR 66 CD1 0.0102 0.0064 0.0056 1989 TYR 66 CD2 0.0093 0.0035 0.0049 1990 TYR 66 CE1 0.0118 0.0055 0.0063 1991 TYR 66 CE2 0.0109 0.0025 0.0055 1992 TYR 66 CZ 0.0122 0.0035 0.0062 1993 TYR 66 OH 0.0137 0.0026 0.0068 1994 TYR 66 H 0.0087 0.0087 0.0052 1995 TYR 66 HA 0.0072 0.0091 0.0046 1996 TYR 66 HB3 0.0061 0.0058 0.0038 1997 TYR 66 HB2 0.0068 0.0059 0.0041 1998 TYR 66 HD1 0.0100 0.0079 0.0057 1999 TYR 66 HD2 0.0083 0.0027 0.0044 2000 TYR 66 HE1 0.0128 0.0062 0.0067 2001 TYR 66 HE2 0.0111 0.0010 0.0055 2002 TYR 66 HH 0.0137 0.0012 0.0067 2003 TYR 67 N 0.0044 0.0096 0.0034 2004 TYR 67 CA 0.0026 0.0104 0.0027 2005 TYR 67 C 0.0021 0.0124 0.0027 2006 TYR 67 O 0.0005 0.0129 0.0020 2007 TYR 67 CB 0.0023 0.0103 0.0026 2008 TYR 67 CG 0.0030 0.0120 0.0030 2009 TYR 67 CD1 0.0049 0.0123 0.0039 2010 TYR 67 CD2 0.0018 0.0132 0.0026 2011 TYR 67 CE1 0.0055 0.0139 0.0043 2012 TYR 67 CE2 0.0024 0.0148 0.0030 2013 TYR 67 CZ 0.0042 0.0152 0.0039 2014 TYR 67 OH 0.0048 0.0168 0.0043 2015 TYR 67 H 0.0052 0.0094 0.0038 2016 TYR 67 HA 0.0016 0.0094 0.0022 2017 TYR 67 HB3 0.0029 0.0089 0.0027 2018 TYR 67 HB2 0.0009 0.0102 0.0019 2019 TYR 67 HD1 0.0058 0.0113 0.0042 2020 TYR 67 HD2 0.0004 0.0130 0.0020 2021 TYR 67 HE1 0.0069 0.0141 0.0049 2022 TYR 67 HE2 0.0014 0.0158 0.0027 2023 TYR 67 HH 0.0040 0.0173 0.0040 2024 ASN 68 N 0.0045 0.0142 0.0061 2025 ASN 68 CA 0.0042 0.0155 0.0063 2026 ASN 68 C 0.0043 0.0150 0.0062 2027 ASN 68 O 0.0033 0.0155 0.0062 2028 ASN 68 CB 0.0054 0.0167 0.0068 2029 ASN 68 CG 0.0051 0.0177 0.0070 2030 ASN 68 OD1 0.0038 0.0180 0.0068 2031 ASN 68 ND2 0.0063 0.0182 0.0073 2032 ASN 68 H 0.0057 0.0138 0.0062 2033 ASN 68 HA 0.0031 0.0159 0.0062 2034 ASN 68 HB3 0.0054 0.0175 0.0070 2035 ASN 68 HB2 0.0066 0.0162 0.0069 2036 ASN 68 HD22 0.0061 0.0188 0.0074 2037 ASN 68 HD21 0.0074 0.0179 0.0074 2038 ARG 69 N 0.0056 0.0142 0.0062 2039 ARG 69 CA 0.0060 0.0138 0.0062 2040 ARG 69 C 0.0050 0.0125 0.0058 2041 ARG 69 O 0.0051 0.0123 0.0057 2042 ARG 69 CB 0.0076 0.0132 0.0064 2043 ARG 69 CG 0.0088 0.0143 0.0068 2044 ARG 69 CD 0.0104 0.0136 0.0069 2045 ARG 69 NE 0.0110 0.0125 0.0068 2046 ARG 69 CZ 0.0119 0.0113 0.0067 2047 ARG 69 NH1 0.0122 0.0104 0.0065 2048 ARG 69 NH2 0.0127 0.0111 0.0068 2049 ARG 69 H 0.0063 0.0138 0.0063 2050 ARG 69 HA 0.0058 0.0148 0.0064 2051 ARG 69 HB3 0.0079 0.0128 0.0063 2052 ARG 69 HB2 0.0078 0.0122 0.0062 2053 ARG 69 HG3 0.0084 0.0149 0.0069 2054 ARG 69 HG2 0.0089 0.0152 0.0070 2055 ARG 69 HD3 0.0103 0.0131 0.0068 2056 ARG 69 HD2 0.0112 0.0145 0.0073 2057 ARG 69 HH22 0.0134 0.0102 0.0067 2058 ARG 69 HH21 0.0126 0.0119 0.0069 2059 ARG 69 HH12 0.0128 0.0094 0.0064 2060 ARG 69 HH11 0.0116 0.0106 0.0065 2061 ARG 69 HE 0.0105 0.0127 0.0068 2062 SER 70 N 0.0040 0.0077 0.0018 2063 SER 70 CA 0.0034 0.0069 0.0018 2064 SER 70 C 0.0026 0.0069 0.0021 2065 SER 70 O 0.0022 0.0075 0.0024 2066 SER 70 CB 0.0031 0.0067 0.0018 2067 SER 70 OG 0.0025 0.0060 0.0018 2068 SER 70 H 0.0039 0.0081 0.0020 2069 SER 70 HA 0.0037 0.0063 0.0015 2070 SER 70 HB3 0.0029 0.0073 0.0021 2071 SER 70 HB2 0.0037 0.0066 0.0016 2072 SER 70 HG 0.0028 0.0055 0.0016 2073 THR 71 N 0.0023 0.0061 0.0019 2074 THR 71 CA 0.0014 0.0059 0.0022 2075 THR 71 C 0.0007 0.0059 0.0024 2076 THR 71 O -0.0001 0.0060 0.0027 2077 THR 71 CB 0.0013 0.0049 0.0019 2078 THR 71 OG1 0.0016 0.0043 0.0016 2079 THR 71 CG2 0.0020 0.0048 0.0017 2080 THR 71 H 0.0026 0.0055 0.0017 2081 THR 71 HA 0.0014 0.0063 0.0023 2082 THR 71 HB 0.0007 0.0047 0.0021 2083 THR 71 HG1 0.0022 0.0044 0.0015 2084 THR 71 HG21 0.0019 0.0041 0.0015 2085 THR 71 HG22 0.0018 0.0052 0.0019 2086 THR 71 HG23 0.0026 0.0050 0.0015 2087 SER 72 N 0.0026 0.0068 -0.0003 2088 SER 72 CA 0.0010 0.0068 -0.0002 2089 SER 72 C 0.0009 0.0078 -0.0005 2090 SER 72 O 0.0008 0.0071 -0.0003 2091 SER 72 CB 0.0006 0.0051 0.0002 2092 SER 72 OG 0.0017 0.0044 0.0004 2093 SER 72 H 0.0034 0.0065 -0.0002 2094 SER 72 HA 0.0002 0.0073 -0.0003 2095 SER 72 HB3 0.0004 0.0046 0.0003 2096 SER 72 HB2 -0.0006 0.0051 0.0002 2097 SER 72 HG 0.0020 0.0050 0.0002 2098 PRO 73 N 0.0012 0.0093 -0.0008 2099 PRO 73 CA 0.0014 0.0102 -0.0011 2100 PRO 73 C -0.0001 0.0104 -0.0011 2101 PRO 73 O -0.0014 0.0103 -0.0010 2102 PRO 73 CB 0.0020 0.0117 -0.0015 2103 PRO 73 CG 0.0012 0.0118 -0.0015 2104 PRO 73 CD 0.0012 0.0102 -0.0011 2105 PRO 73 HA 0.0023 0.0097 -0.0010 2106 PRO 73 HB3 0.0032 0.0116 -0.0015 2107 PRO 73 HB2 0.0017 0.0127 -0.0017 2108 PRO 73 HG3 0.0018 0.0126 -0.0017 2109 PRO 73 HG2 0.0000 0.0122 -0.0015 2110 PRO 73 HD2 0.0003 0.0099 -0.0010 2111 PRO 73 HD3 0.0023 0.0099 -0.0011 2112 TRP 74 N -0.0029 0.0106 -0.0028 2113 TRP 74 CA -0.0050 0.0097 -0.0036 2114 TRP 74 C -0.0050 0.0107 -0.0040 2115 TRP 74 O -0.0032 0.0119 -0.0035 2116 TRP 74 CB -0.0054 0.0069 -0.0027 2117 TRP 74 CG -0.0038 0.0056 -0.0013 2118 TRP 74 CD1 -0.0041 0.0049 -0.0012 2119 TRP 74 CD2 -0.0018 0.0048 0.0001 2120 TRP 74 NE1 -0.0024 0.0037 0.0003 2121 TRP 74 CE2 -0.0009 0.0036 0.0011 2122 TRP 74 CE3 -0.0006 0.0050 0.0007 2123 TRP 74 CZ2 0.0010 0.0025 0.0026 2124 TRP 74 CZ3 0.0014 0.0039 0.0022 2125 TRP 74 CH2 0.0022 0.0027 0.0032 2126 TRP 74 H -0.0014 0.0108 -0.0021 2127 TRP 74 HA -0.0064 0.0102 -0.0046 2128 TRP 74 HB3 -0.0054 0.0063 -0.0024 2129 TRP 74 HB2 -0.0071 0.0062 -0.0033 2130 TRP 74 HD1 -0.0054 0.0053 -0.0021 2131 TRP 74 HE1 -0.0023 0.0030 0.0006 2132 TRP 74 HE3 -0.0012 0.0059 0.0000 2133 TRP 74 HZ2 0.0016 0.0015 0.0033 2134 TRP 74 HZ3 0.0023 0.0041 0.0027 2135 TRP 74 HH2 0.0037 0.0019 0.0043 2136 ASN 75 N -0.0070 0.0103 -0.0049 2137 ASN 75 CA -0.0074 0.0109 -0.0054 2138 ASN 75 C -0.0085 0.0085 -0.0051 2139 ASN 75 O -0.0098 0.0071 -0.0052 2140 ASN 75 CB -0.0091 0.0127 -0.0071 2141 ASN 75 CG -0.0083 0.0151 -0.0076 2142 ASN 75 OD1 -0.0063 0.0158 -0.0068 2143 ASN 75 ND2 -0.0099 0.0163 -0.0090 2144 ASN 75 H -0.0083 0.0094 -0.0053 2145 ASN 75 HA -0.0058 0.0116 -0.0048 2146 ASN 75 HB3 -0.0094 0.0131 -0.0074 2147 ASN 75 HB2 -0.0107 0.0118 -0.0076 2148 ASN 75 HD22 -0.0095 0.0179 -0.0094 2149 ASN 75 HD21 -0.0115 0.0158 -0.0097 2150 LEU 76 N -0.0103 0.0041 -0.0043 2151 LEU 76 CA -0.0111 0.0012 -0.0044 2152 LEU 76 C -0.0130 0.0012 -0.0062 2153 LEU 76 O -0.0128 0.0031 -0.0066 2154 LEU 76 CB -0.0093 -0.0002 -0.0022 2155 LEU 76 CG -0.0074 -0.0006 -0.0003 2156 LEU 76 CD1 -0.0056 -0.0017 0.0018 2157 LEU 76 CD2 -0.0082 -0.0028 -0.0004 2158 LEU 76 H -0.0094 0.0055 -0.0038 2159 LEU 76 HA -0.0117 -0.0002 -0.0045 2160 LEU 76 HB3 -0.0100 -0.0023 -0.0024 2161 LEU 76 HB2 -0.0087 0.0012 -0.0020 2162 LEU 76 HG -0.0067 0.0015 -0.0001 2163 LEU 76 HD11 -0.0042 -0.0019 0.0032 2164 LEU 76 HD12 -0.0050 -0.0001 0.0020 2165 LEU 76 HD13 -0.0062 -0.0037 0.0018 2166 LEU 76 HD21 -0.0071 -0.0044 0.0011 2167 LEU 76 HD22 -0.0098 -0.0042 -0.0016 2168 LEU 76 HD23 -0.0083 -0.0017 -0.0008 2169 HIS 77 N -0.0148 -0.0008 -0.0075 2170 HIS 77 CA -0.0167 -0.0013 -0.0092 2171 HIS 77 C -0.0169 -0.0043 -0.0085 2172 HIS 77 O -0.0164 -0.0064 -0.0075 2173 HIS 77 CB -0.0188 -0.0011 -0.0113 2174 HIS 77 CG -0.0189 0.0019 -0.0122 2175 HIS 77 ND1 -0.0178 0.0032 -0.0114 2176 HIS 77 CD2 -0.0200 0.0040 -0.0138 2177 HIS 77 CE1 -0.0182 0.0059 -0.0126 2178 HIS 77 NE2 -0.0195 0.0065 -0.0141 2179 HIS 77 H -0.0148 -0.0023 -0.0071 2180 HIS 77 HA -0.0165 0.0004 -0.0095 2181 HIS 77 HB3 -0.0202 -0.0019 -0.0125 2182 HIS 77 HB2 -0.0189 -0.0026 -0.0110 2183 HIS 77 HD1 -0.0168 0.0022 -0.0102 2184 HIS 77 HD2 -0.0210 0.0039 -0.0149 2185 HIS 77 HE1 -0.0175 0.0074 -0.0123 2186 ARG 78 N -0.0156 -0.0129 -0.0048 2187 ARG 78 CA -0.0164 -0.0123 -0.0049 2188 ARG 78 C -0.0159 -0.0118 -0.0043 2189 ARG 78 O -0.0156 -0.0122 -0.0043 2190 ARG 78 CB -0.0170 -0.0129 -0.0055 2191 ARG 78 CG -0.0179 -0.0123 -0.0057 2192 ARG 78 CD -0.0184 -0.0129 -0.0064 2193 ARG 78 NE -0.0192 -0.0125 -0.0066 2194 ARG 78 CZ -0.0192 -0.0122 -0.0064 2195 ARG 78 NH1 -0.0200 -0.0117 -0.0065 2196 ARG 78 NH2 -0.0184 -0.0123 -0.0060 2197 ARG 78 H -0.0153 -0.0135 -0.0050 2198 ARG 78 HA -0.0169 -0.0118 -0.0048 2199 ARG 78 HB3 -0.0165 -0.0133 -0.0056 2200 ARG 78 HB2 -0.0171 -0.0133 -0.0059 2201 ARG 78 HG3 -0.0183 -0.0120 -0.0057 2202 ARG 78 HG2 -0.0178 -0.0118 -0.0053 2203 ARG 78 HD3 -0.0180 -0.0135 -0.0066 2204 ARG 78 HD2 -0.0188 -0.0132 -0.0068 2205 ARG 78 HH22 -0.0184 -0.0120 -0.0058 2206 ARG 78 HH21 -0.0178 -0.0126 -0.0059 2207 ARG 78 HH12 -0.0200 -0.0113 -0.0062 2208 ARG 78 HH11 -0.0207 -0.0116 -0.0068 2209 ARG 78 HE -0.0199 -0.0123 -0.0068 2210 ASN 79 N -0.0160 -0.0109 -0.0037 2211 ASN 79 CA -0.0157 -0.0103 -0.0031 2212 ASN 79 C -0.0165 -0.0098 -0.0033 2213 ASN 79 O -0.0172 -0.0093 -0.0034 2214 ASN 79 CB -0.0153 -0.0097 -0.0025 2215 ASN 79 CG -0.0150 -0.0089 -0.0018 2216 ASN 79 OD1 -0.0153 -0.0084 -0.0018 2217 ASN 79 ND2 -0.0144 -0.0086 -0.0013 2218 ASN 79 H -0.0163 -0.0107 -0.0038 2219 ASN 79 HA -0.0151 -0.0106 -0.0030 2220 ASN 79 HB3 -0.0158 -0.0094 -0.0027 2221 ASN 79 HB2 -0.0147 -0.0101 -0.0025 2222 ASN 79 HD22 -0.0142 -0.0080 -0.0009 2223 ASN 79 HD21 -0.0142 -0.0088 -0.0014 2224 GLU 80 N -0.0147 -0.0083 0.0015 2225 GLU 80 CA -0.0148 -0.0056 0.0008 2226 GLU 80 C -0.0143 -0.0037 0.0029 2227 GLU 80 O -0.0138 -0.0044 0.0051 2228 GLU 80 CB -0.0149 -0.0052 0.0000 2229 GLU 80 CG -0.0150 -0.0025 -0.0011 2230 GLU 80 CD -0.0153 -0.0023 -0.0025 2231 GLU 80 OE1 -0.0152 -0.0035 -0.0016 2232 GLU 80 OE2 -0.0157 -0.0013 -0.0047 2233 GLU 80 H -0.0144 -0.0089 0.0031 2234 GLU 80 HA -0.0151 -0.0050 -0.0009 2235 GLU 80 HB3 -0.0146 -0.0056 0.0017 2236 GLU 80 HB2 -0.0152 -0.0067 -0.0014 2237 GLU 80 HG3 -0.0152 -0.0018 -0.0023 2238 GLU 80 HG2 -0.0147 -0.0011 0.0005 2239 ASP 81 N -0.0143 -0.0014 0.0021 2240 ASP 81 CA -0.0140 0.0006 0.0037 2241 ASP 81 C -0.0142 0.0032 0.0022 2242 ASP 81 O -0.0145 0.0036 0.0002 2243 ASP 81 CB -0.0139 -0.0001 0.0041 2244 ASP 81 CG -0.0135 0.0017 0.0057 2245 ASP 81 OD1 -0.0133 0.0039 0.0063 2246 ASP 81 OD2 -0.0135 0.0009 0.0061 2247 ASP 81 H -0.0147 -0.0010 0.0002 2248 ASP 81 HA -0.0136 0.0006 0.0055 2249 ASP 81 HB3 -0.0143 -0.0002 0.0022 2250 ASP 81 HB2 -0.0138 -0.0020 0.0049 2251 PRO 82 N -0.0136 0.0119 0.0062 2252 PRO 82 CA -0.0111 0.0149 0.0046 2253 PRO 82 C -0.0106 0.0143 0.0037 2254 PRO 82 O -0.0083 0.0158 0.0015 2255 PRO 82 CB -0.0116 0.0188 0.0072 2256 PRO 82 CG -0.0146 0.0177 0.0105 2257 PRO 82 CD -0.0156 0.0136 0.0097 2258 PRO 82 HA -0.0093 0.0149 0.0023 2259 PRO 82 HB3 -0.0107 0.0200 0.0067 2260 PRO 82 HB2 -0.0106 0.0211 0.0071 2261 PRO 82 HG3 -0.0153 0.0198 0.0124 2262 PRO 82 HG2 -0.0154 0.0175 0.0113 2263 PRO 82 HD2 -0.0176 0.0119 0.0114 2264 PRO 82 HD3 -0.0158 0.0138 0.0100 2265 GLU 83 N -0.0127 0.0121 0.0052 2266 GLU 83 CA -0.0127 0.0112 0.0047 2267 GLU 83 C -0.0118 0.0077 0.0018 2268 GLU 83 O -0.0118 0.0063 0.0012 2269 GLU 83 CB -0.0155 0.0105 0.0080 2270 GLU 83 CG -0.0162 0.0143 0.0107 2271 GLU 83 CD -0.0142 0.0174 0.0098 2272 GLU 83 OE1 -0.0139 0.0164 0.0089 2273 GLU 83 OE2 -0.0129 0.0207 0.0098 2274 GLU 83 H -0.0146 0.0108 0.0069 2275 GLU 83 HA -0.0112 0.0136 0.0040 2276 GLU 83 HB3 -0.0156 0.0093 0.0075 2277 GLU 83 HB2 -0.0170 0.0084 0.0089 2278 GLU 83 HG3 -0.0182 0.0136 0.0130 2279 GLU 83 HG2 -0.0162 0.0155 0.0113 2280 ARG 84 N -0.0099 0.0004 0.0004 2281 ARG 84 CA -0.0096 -0.0004 -0.0002 2282 ARG 84 C -0.0083 -0.0001 -0.0003 2283 ARG 84 O -0.0079 0.0008 0.0003 2284 ARG 84 CB -0.0108 -0.0005 -0.0001 2285 ARG 84 CG -0.0109 -0.0015 -0.0007 2286 ARG 84 CD -0.0122 -0.0015 -0.0005 2287 ARG 84 NE -0.0121 -0.0005 0.0002 2288 ARG 84 CZ -0.0131 -0.0001 0.0007 2289 ARG 84 NH1 -0.0129 0.0008 0.0013 2290 ARG 84 NH2 -0.0144 -0.0004 0.0007 2291 ARG 84 H -0.0099 0.0012 0.0010 2292 ARG 84 HA -0.0096 -0.0012 -0.0008 2293 ARG 84 HB3 -0.0108 0.0002 0.0005 2294 ARG 84 HB2 -0.0117 -0.0006 0.0000 2295 ARG 84 HG3 -0.0109 -0.0023 -0.0013 2296 ARG 84 HG2 -0.0100 -0.0014 -0.0009 2297 ARG 84 HD3 -0.0130 -0.0015 -0.0003 2298 ARG 84 HD2 -0.0123 -0.0023 -0.0010 2299 ARG 84 HH22 -0.0151 -0.0001 0.0011 2300 ARG 84 HH21 -0.0146 -0.0008 0.0005 2301 ARG 84 HH12 -0.0136 0.0011 0.0016 2302 ARG 84 HH11 -0.0120 0.0012 0.0014 2303 ARG 84 HE -0.0112 -0.0003 0.0002 2304 TYR 85 N -0.0077 -0.0010 -0.0010 2305 TYR 85 CA -0.0067 -0.0009 -0.0011 2306 TYR 85 C -0.0071 -0.0018 -0.0017 2307 TYR 85 O -0.0074 -0.0028 -0.0023 2308 TYR 85 CB -0.0053 -0.0011 -0.0015 2309 TYR 85 CG -0.0041 -0.0009 -0.0017 2310 TYR 85 CD1 -0.0039 -0.0018 -0.0023 2311 TYR 85 CD2 -0.0033 0.0000 -0.0011 2312 TYR 85 CE1 -0.0028 -0.0016 -0.0024 2313 TYR 85 CE2 -0.0022 0.0002 -0.0012 2314 TYR 85 CZ -0.0020 -0.0006 -0.0019 2315 TYR 85 OH -0.0009 -0.0005 -0.0020 2316 TYR 85 H -0.0081 -0.0017 -0.0015 2317 TYR 85 HA -0.0065 -0.0001 -0.0006 2318 TYR 85 HB3 -0.0054 -0.0019 -0.0021 2319 TYR 85 HB2 -0.0051 -0.0005 -0.0012 2320 TYR 85 HD1 -0.0045 -0.0026 -0.0027 2321 TYR 85 HD2 -0.0035 0.0007 -0.0006 2322 TYR 85 HE1 -0.0027 -0.0023 -0.0029 2323 TYR 85 HE2 -0.0016 0.0010 -0.0008 2324 TYR 85 HH -0.0002 0.0000 -0.0017 2325 PRO 86 N -0.0111 -0.0024 -0.0036 2326 PRO 86 CA -0.0108 -0.0013 -0.0042 2327 PRO 86 C -0.0118 -0.0007 -0.0032 2328 PRO 86 O -0.0125 -0.0016 -0.0023 2329 PRO 86 CB -0.0099 -0.0025 -0.0049 2330 PRO 86 CG -0.0094 -0.0039 -0.0051 2331 PRO 86 CD -0.0105 -0.0041 -0.0039 2332 PRO 86 HA -0.0104 -0.0003 -0.0048 2333 PRO 86 HB3 -0.0092 -0.0019 -0.0058 2334 PRO 86 HB2 -0.0102 -0.0031 -0.0044 2335 PRO 86 HG3 -0.0088 -0.0034 -0.0059 2336 PRO 86 HG2 -0.0089 -0.0050 -0.0053 2337 PRO 86 HD2 -0.0110 -0.0048 -0.0031 2338 PRO 86 HD3 -0.0103 -0.0046 -0.0039 2339 SER 87 N -0.0119 0.0009 -0.0035 2340 SER 87 CA -0.0129 0.0017 -0.0026 2341 SER 87 C -0.0128 0.0009 -0.0026 2342 SER 87 O -0.0137 0.0006 -0.0015 2343 SER 87 CB -0.0130 0.0036 -0.0030 2344 SER 87 OG -0.0119 0.0040 -0.0043 2345 SER 87 H -0.0114 0.0016 -0.0043 2346 SER 87 HA -0.0137 0.0014 -0.0017 2347 SER 87 HB3 -0.0132 0.0040 -0.0029 2348 SER 87 HB2 -0.0137 0.0042 -0.0024 2349 SER 87 HG -0.0121 0.0049 -0.0044 2350 VAL 88 N -0.0155 -0.0048 -0.0045 2351 VAL 88 CA -0.0157 -0.0067 -0.0044 2352 VAL 88 C -0.0159 -0.0075 -0.0050 2353 VAL 88 O -0.0162 -0.0069 -0.0062 2354 VAL 88 CB -0.0160 -0.0072 -0.0056 2355 VAL 88 CG1 -0.0162 -0.0092 -0.0056 2356 VAL 88 CG2 -0.0159 -0.0064 -0.0051 2357 VAL 88 H -0.0158 -0.0043 -0.0056 2358 VAL 88 HA -0.0154 -0.0071 -0.0032 2359 VAL 88 HB -0.0163 -0.0068 -0.0068 2360 VAL 88 HG11 -0.0164 -0.0095 -0.0063 2361 VAL 88 HG12 -0.0164 -0.0098 -0.0062 2362 VAL 88 HG13 -0.0159 -0.0097 -0.0044 2363 VAL 88 HG21 -0.0161 -0.0068 -0.0060 2364 VAL 88 HG22 -0.0156 -0.0069 -0.0039 2365 VAL 88 HG23 -0.0157 -0.0051 -0.0051 2366 ILE 89 N -0.0158 -0.0088 -0.0041 2367 ILE 89 CA -0.0160 -0.0099 -0.0045 2368 ILE 89 C -0.0161 -0.0117 -0.0042 2369 ILE 89 O -0.0158 -0.0120 -0.0030 2370 ILE 89 CB -0.0157 -0.0095 -0.0035 2371 ILE 89 CG1 -0.0156 -0.0077 -0.0038 2372 ILE 89 CG2 -0.0159 -0.0107 -0.0038 2373 ILE 89 CD1 -0.0153 -0.0072 -0.0030 2374 ILE 89 H -0.0155 -0.0091 -0.0030 2375 ILE 89 HA -0.0163 -0.0097 -0.0058 2376 ILE 89 HB -0.0153 -0.0097 -0.0022 2377 ILE 89 HG13 -0.0154 -0.0068 -0.0033 2378 ILE 89 HG12 -0.0159 -0.0074 -0.0051 2379 ILE 89 HG21 -0.0156 -0.0105 -0.0029 2380 ILE 89 HG22 -0.0159 -0.0121 -0.0036 2381 ILE 89 HG23 -0.0162 -0.0106 -0.0050 2382 ILE 89 HD11 -0.0152 -0.0058 -0.0030 2383 ILE 89 HD12 -0.0150 -0.0076 -0.0017 2384 ILE 89 HD13 -0.0156 -0.0077 -0.0036 2385 TRP 90 N -0.0174 -0.0111 -0.0033 2386 TRP 90 CA -0.0166 -0.0101 -0.0038 2387 TRP 90 C -0.0160 -0.0092 -0.0035 2388 TRP 90 O -0.0159 -0.0090 -0.0024 2389 TRP 90 CB -0.0165 -0.0099 -0.0030 2390 TRP 90 CG -0.0171 -0.0106 -0.0033 2391 TRP 90 CD1 -0.0178 -0.0115 -0.0026 2392 TRP 90 CD2 -0.0170 -0.0107 -0.0043 2393 TRP 90 NE1 -0.0181 -0.0120 -0.0031 2394 TRP 90 CE2 -0.0177 -0.0116 -0.0042 2395 TRP 90 CE3 -0.0164 -0.0101 -0.0054 2396 TRP 90 CZ2 -0.0177 -0.0118 -0.0050 2397 TRP 90 CZ3 -0.0165 -0.0103 -0.0062 2398 TRP 90 CH2 -0.0171 -0.0111 -0.0060 2399 TRP 90 H -0.0176 -0.0112 -0.0024 2400 TRP 90 HA -0.0166 -0.0102 -0.0048 2401 TRP 90 HB3 -0.0159 -0.0091 -0.0033 2402 TRP 90 HB2 -0.0166 -0.0098 -0.0020 2403 TRP 90 HD1 -0.0180 -0.0117 -0.0017 2404 TRP 90 HE1 -0.0186 -0.0126 -0.0027 2405 TRP 90 HE3 -0.0159 -0.0094 -0.0055 2406 TRP 90 HZ2 -0.0182 -0.0124 -0.0048 2407 TRP 90 HZ3 -0.0160 -0.0098 -0.0070 2408 TRP 90 HH2 -0.0172 -0.0113 -0.0067 2409 GLU 91 N -0.0155 -0.0087 -0.0046 2410 GLU 91 CA -0.0148 -0.0078 -0.0045 2411 GLU 91 C -0.0140 -0.0068 -0.0049 2412 GLU 91 O -0.0140 -0.0069 -0.0057 2413 GLU 91 CB -0.0148 -0.0080 -0.0055 2414 GLU 91 CG -0.0154 -0.0087 -0.0050 2415 GLU 91 CD -0.0152 -0.0086 -0.0059 2416 GLU 91 OE1 -0.0156 -0.0093 -0.0068 2417 GLU 91 OE2 -0.0146 -0.0077 -0.0056 2418 GLU 91 H -0.0156 -0.0090 -0.0055 2419 GLU 91 HA -0.0148 -0.0077 -0.0035 2420 GLU 91 HB3 -0.0142 -0.0072 -0.0056 2421 GLU 91 HB2 -0.0149 -0.0082 -0.0064 2422 GLU 91 HG3 -0.0160 -0.0095 -0.0051 2423 GLU 91 HG2 -0.0154 -0.0085 -0.0040 2424 ALA 92 N -0.0107 -0.0026 -0.0040 2425 ALA 92 CA -0.0097 -0.0006 -0.0042 2426 ALA 92 C -0.0120 0.0001 -0.0054 2427 ALA 92 O -0.0134 -0.0018 -0.0054 2428 ALA 92 CB -0.0075 -0.0019 -0.0030 2429 ALA 92 H -0.0106 -0.0047 -0.0034 2430 ALA 92 HA -0.0088 0.0013 -0.0045 2431 ALA 92 HB1 -0.0067 -0.0005 -0.0031 2432 ALA 92 HB2 -0.0058 -0.0023 -0.0021 2433 ALA 92 HB3 -0.0084 -0.0038 -0.0027 2434 LYS 93 N -0.0122 0.0028 -0.0063 2435 LYS 93 CA -0.0138 0.0038 -0.0073 2436 LYS 93 C -0.0119 0.0055 -0.0070 2437 LYS 93 O -0.0105 0.0076 -0.0071 2438 LYS 93 CB -0.0160 0.0055 -0.0087 2439 LYS 93 CG -0.0174 0.0072 -0.0098 2440 LYS 93 CD -0.0204 0.0076 -0.0111 2441 LYS 93 CE -0.0216 0.0095 -0.0122 2442 LYS 93 NZ -0.0211 0.0087 -0.0118 2443 LYS 93 H -0.0110 0.0042 -0.0063 2444 LYS 93 HA -0.0149 0.0020 -0.0072 2445 LYS 93 HB3 -0.0151 0.0069 -0.0088 2446 LYS 93 HB2 -0.0175 0.0040 -0.0089 2447 LYS 93 HG3 -0.0172 0.0062 -0.0094 2448 LYS 93 HG2 -0.0162 0.0092 -0.0099 2449 LYS 93 HD3 -0.0206 0.0084 -0.0115 2450 LYS 93 HD2 -0.0216 0.0055 -0.0110 2451 LYS 93 HE3 -0.0207 0.0117 -0.0125 2452 LYS 93 HE2 -0.0237 0.0095 -0.0131 2453 LYS 93 HZ1 -0.0191 0.0089 -0.0110 2454 LYS 93 HZ2 -0.0219 0.0067 -0.0115 2455 LYS 93 HZ3 -0.0220 0.0100 -0.0125 2456 CYS 94 N -0.0080 0.0078 -0.0034 2457 CYS 94 CA -0.0068 0.0089 -0.0034 2458 CYS 94 C -0.0073 0.0108 -0.0045 2459 CYS 94 O -0.0089 0.0110 -0.0053 2460 CYS 94 CB -0.0068 0.0079 -0.0029 2461 CYS 94 SG -0.0070 0.0054 -0.0019 2462 CYS 94 H -0.0088 0.0066 -0.0032 2463 CYS 94 HA -0.0054 0.0090 -0.0028 2464 CYS 94 HB3 -0.0055 0.0084 -0.0026 2465 CYS 94 HB2 -0.0079 0.0082 -0.0036 2466 ARG 95 N -0.0059 0.0123 -0.0045 2467 ARG 95 CA -0.0061 0.0142 -0.0055 2468 ARG 95 C -0.0068 0.0147 -0.0060 2469 ARG 95 O -0.0078 0.0158 -0.0070 2470 ARG 95 CB -0.0043 0.0155 -0.0053 2471 ARG 95 CG -0.0035 0.0153 -0.0049 2472 ARG 95 CD -0.0017 0.0167 -0.0047 2473 ARG 95 NE -0.0010 0.0162 -0.0041 2474 ARG 95 CZ 0.0007 0.0168 -0.0037 2475 ARG 95 NH1 0.0020 0.0181 -0.0037 2476 ARG 95 NH2 0.0010 0.0161 -0.0032 2477 ARG 95 H -0.0045 0.0120 -0.0038 2478 ARG 95 HA -0.0072 0.0144 -0.0061 2479 ARG 95 HB3 -0.0045 0.0169 -0.0060 2480 ARG 95 HB2 -0.0032 0.0153 -0.0047 2481 ARG 95 HG3 -0.0034 0.0139 -0.0042 2482 ARG 95 HG2 -0.0046 0.0156 -0.0055 2483 ARG 95 HD3 -0.0021 0.0180 -0.0055 2484 ARG 95 HD2 -0.0008 0.0167 -0.0043 2485 ARG 95 HH22 0.0022 0.0166 -0.0029 2486 ARG 95 HH21 0.0002 0.0149 -0.0030 2487 ARG 95 HH12 0.0032 0.0185 -0.0034 2488 ARG 95 HH11 0.0018 0.0185 -0.0040 2489 ARG 95 HE -0.0020 0.0155 -0.0043 2490 HIS 96 N 0.0014 0.0090 0.0017 2491 HIS 96 CA 0.0016 0.0075 0.0027 2492 HIS 96 C 0.0016 0.0077 0.0037 2493 HIS 96 O 0.0015 0.0088 0.0034 2494 HIS 96 CB 0.0017 0.0061 0.0015 2495 HIS 96 CG 0.0016 0.0059 0.0002 2496 HIS 96 ND1 0.0017 0.0054 0.0006 2497 HIS 96 CD2 0.0015 0.0063 -0.0014 2498 HIS 96 CE1 0.0016 0.0056 -0.0007 2499 HIS 96 NE2 0.0014 0.0062 -0.0020 2500 HIS 96 H 0.0013 0.0093 0.0010 2501 HIS 96 HA 0.0016 0.0074 0.0035 2502 HIS 96 HB3 0.0018 0.0049 0.0021 2503 HIS 96 HB2 0.0016 0.0061 0.0007 2504 HIS 96 HD1 0.0018 0.0050 0.0017 2505 HIS 96 HD2 0.0014 0.0067 -0.0022 2506 HIS 96 HE1 0.0016 0.0053 -0.0008 2507 LEU 97 N 0.0018 0.0066 0.0050 2508 LEU 97 CA 0.0019 0.0063 0.0059 2509 LEU 97 C 0.0020 0.0051 0.0049 2510 LEU 97 O 0.0019 0.0055 0.0046 2511 LEU 97 CB 0.0021 0.0056 0.0076 2512 LEU 97 CG 0.0020 0.0067 0.0087 2513 LEU 97 CD1 0.0022 0.0058 0.0102 2514 LEU 97 CD2 0.0019 0.0083 0.0093 2515 LEU 97 H 0.0019 0.0058 0.0051 2516 LEU 97 HA 0.0018 0.0075 0.0060 2517 LEU 97 HB3 0.0021 0.0053 0.0083 2518 LEU 97 HB2 0.0022 0.0044 0.0075 2519 LEU 97 HG 0.0019 0.0072 0.0080 2520 LEU 97 HD11 0.0022 0.0066 0.0110 2521 LEU 97 HD12 0.0023 0.0049 0.0098 2522 LEU 97 HD13 0.0023 0.0052 0.0109 2523 LEU 97 HD21 0.0019 0.0088 0.0104 2524 LEU 97 HD22 0.0019 0.0080 0.0095 2525 LEU 97 HD23 0.0017 0.0092 0.0084 2526 GLY 98 N 0.0054 0.0047 0.0059 2527 GLY 98 CA 0.0051 0.0035 0.0047 2528 GLY 98 C 0.0048 0.0041 0.0028 2529 GLY 98 O 0.0048 0.0056 0.0025 2530 GLY 98 H 0.0055 0.0044 0.0063 2531 GLY 98 HA3 0.0051 0.0022 0.0049 2532 GLY 98 HA2 0.0052 0.0034 0.0050 2533 CYS 99 N 0.0046 0.0030 0.0016 2534 CYS 99 CA 0.0042 0.0033 -0.0003 2535 CYS 99 C 0.0040 0.0019 -0.0010 2536 CYS 99 O 0.0041 0.0005 -0.0004 2537 CYS 99 CB 0.0041 0.0033 -0.0012 2538 CYS 99 SG 0.0043 0.0048 -0.0004 2539 CYS 99 H 0.0046 0.0018 0.0019 2540 CYS 99 HA 0.0043 0.0046 -0.0005 2541 CYS 99 HB3 0.0038 0.0035 -0.0025 2542 CYS 99 HB2 0.0040 0.0020 -0.0011 2543 ILE 100 N 0.0032 0.0021 0.0005 2544 ILE 100 CA 0.0021 0.0011 0.0009 2545 ILE 100 C 0.0007 0.0007 -0.0006 2546 ILE 100 O 0.0007 0.0014 -0.0020 2547 ILE 100 CB 0.0027 0.0014 0.0011 2548 ILE 100 CG1 0.0042 0.0020 0.0023 2549 ILE 100 CG2 0.0015 0.0004 0.0016 2550 ILE 100 CD1 0.0043 0.0013 0.0041 2551 ILE 100 H 0.0040 0.0029 -0.0002 2552 ILE 100 HA 0.0019 0.0004 0.0020 2553 ILE 100 HB 0.0028 0.0020 -0.0002 2554 ILE 100 HG13 0.0045 0.0022 0.0024 2555 ILE 100 HG12 0.0050 0.0028 0.0018 2556 ILE 100 HG21 0.0020 0.0006 0.0018 2557 ILE 100 HG22 0.0005 0.0001 0.0006 2558 ILE 100 HG23 0.0012 -0.0003 0.0027 2559 ILE 100 HD11 0.0053 0.0016 0.0049 2560 ILE 100 HD12 0.0034 0.0004 0.0046 2561 ILE 100 HD13 0.0041 0.0012 0.0041 2562 ASN 101 N -0.0006 -0.0004 -0.0001 2563 ASN 101 CA -0.0021 -0.0010 -0.0012 2564 ASN 101 C -0.0029 -0.0015 -0.0014 2565 ASN 101 O -0.0023 -0.0014 -0.0005 2566 ASN 101 CB -0.0030 -0.0019 -0.0006 2567 ASN 101 CG -0.0036 -0.0030 0.0010 2568 ASN 101 OD1 -0.0034 -0.0032 0.0018 2569 ASN 101 ND2 -0.0044 -0.0038 0.0014 2570 ASN 101 H -0.0006 -0.0009 0.0012 2571 ASN 101 HA -0.0020 -0.0003 -0.0025 2572 ASN 101 HB3 -0.0023 -0.0015 -0.0004 2573 ASN 101 HB2 -0.0040 -0.0021 -0.0016 2574 ASN 101 HD22 -0.0051 -0.0046 0.0023 2575 ASN 101 HD21 -0.0046 -0.0036 0.0008 2576 ALA 102 N -0.0168 0.0018 0.0054 2577 ALA 102 CA -0.0216 0.0005 0.0088 2578 ALA 102 C -0.0220 -0.0037 0.0119 2579 ALA 102 O -0.0240 -0.0066 0.0150 2580 ALA 102 CB -0.0260 0.0048 0.0081 2581 ALA 102 H -0.0171 0.0052 0.0032 2582 ALA 102 HA -0.0220 -0.0005 0.0097 2583 ALA 102 HB1 -0.0296 0.0040 0.0105 2584 ALA 102 HB2 -0.0260 0.0077 0.0060 2585 ALA 102 HB3 -0.0258 0.0059 0.0072 2586 ASP 103 N -0.0198 -0.0040 0.0110 2587 ASP 103 CA -0.0196 -0.0076 0.0135 2588 ASP 103 C -0.0158 -0.0123 0.0147 2589 ASP 103 O -0.0154 -0.0158 0.0170 2590 ASP 103 CB -0.0185 -0.0062 0.0119 2591 ASP 103 CG -0.0212 -0.0013 0.0099 2592 ASP 103 OD1 -0.0257 0.0004 0.0110 2593 ASP 103 OD2 -0.0189 0.0007 0.0072 2594 ASP 103 H -0.0184 -0.0013 0.0084 2595 ASP 103 HA -0.0233 -0.0083 0.0159 2596 ASP 103 HB3 -0.0195 -0.0086 0.0141 2597 ASP 103 HB2 -0.0144 -0.0066 0.0101 2598 GLY 104 N -0.0123 -0.0098 0.0085 2599 GLY 104 CA -0.0090 -0.0124 0.0094 2600 GLY 104 C -0.0044 -0.0129 0.0089 2601 GLY 104 O -0.0015 -0.0156 0.0099 2602 GLY 104 H -0.0127 -0.0069 0.0069 2603 GLY 104 HA3 -0.0102 -0.0153 0.0113 2604 GLY 104 HA2 -0.0086 -0.0111 0.0085 2605 ASN 105 N -0.0037 -0.0106 0.0074 2606 ASN 105 CA 0.0005 -0.0107 0.0067 2607 ASN 105 C 0.0034 -0.0076 0.0043 2608 ASN 105 O 0.0016 -0.0046 0.0030 2609 ASN 105 CB -0.0007 -0.0098 0.0064 2610 ASN 105 CG -0.0029 -0.0131 0.0087 2611 ASN 105 OD1 -0.0029 -0.0132 0.0087 2612 ASN 105 ND2 -0.0046 -0.0160 0.0107 2613 ASN 105 H -0.0060 -0.0082 0.0064 2614 ASN 105 HA 0.0023 -0.0136 0.0081 2615 ASN 105 HB3 0.0024 -0.0093 0.0055 2616 ASN 105 HB2 -0.0029 -0.0071 0.0052 2617 ASN 105 HD22 -0.0063 -0.0180 0.0121 2618 ASN 105 HD21 -0.0049 -0.0159 0.0107 2619 VAL 106 N 0.0037 -0.0059 0.0015 2620 VAL 106 CA 0.0043 -0.0042 0.0022 2621 VAL 106 C 0.0040 -0.0058 0.0028 2622 VAL 106 O 0.0041 -0.0073 0.0047 2623 VAL 106 CB 0.0053 -0.0028 0.0046 2624 VAL 106 CG1 0.0060 -0.0011 0.0055 2625 VAL 106 CG2 0.0056 -0.0012 0.0042 2626 VAL 106 H 0.0038 -0.0066 0.0029 2627 VAL 106 HA 0.0043 -0.0028 0.0007 2628 VAL 106 HB 0.0053 -0.0042 0.0061 2629 VAL 106 HG11 0.0067 -0.0001 0.0070 2630 VAL 106 HG12 0.0059 -0.0022 0.0062 2631 VAL 106 HG13 0.0060 0.0002 0.0040 2632 VAL 106 HG21 0.0063 -0.0005 0.0059 2633 VAL 106 HG22 0.0057 0.0003 0.0028 2634 VAL 106 HG23 0.0052 -0.0023 0.0035 2635 ASP 107 N 0.0037 -0.0054 0.0013 2636 ASP 107 CA 0.0036 -0.0064 0.0019 2637 ASP 107 C 0.0045 -0.0046 0.0036 2638 ASP 107 O 0.0050 -0.0023 0.0029 2639 ASP 107 CB 0.0029 -0.0067 -0.0005 2640 ASP 107 CG 0.0028 -0.0078 0.0000 2641 ASP 107 OD1 0.0030 -0.0089 0.0021 2642 ASP 107 OD2 0.0024 -0.0075 -0.0017 2643 ASP 107 H 0.0038 -0.0041 -0.0002 2644 ASP 107 HA 0.0034 -0.0082 0.0029 2645 ASP 107 HB3 0.0032 -0.0049 -0.0016 2646 ASP 107 HB2 0.0023 -0.0080 -0.0017 2647 TYR 108 N 0.0044 -0.0094 0.0075 2648 TYR 108 CA 0.0067 -0.0049 0.0138 2649 TYR 108 C 0.0068 -0.0043 0.0140 2650 TYR 108 O 0.0086 0.0003 0.0183 2651 TYR 108 CB 0.0080 -0.0084 0.0213 2652 TYR 108 CG 0.0075 -0.0163 0.0240 2653 TYR 108 CD1 0.0060 -0.0231 0.0219 2654 TYR 108 CD2 0.0086 -0.0169 0.0287 2655 TYR 108 CE1 0.0055 -0.0304 0.0245 2656 TYR 108 CE2 0.0081 -0.0241 0.0312 2657 TYR 108 CZ 0.0066 -0.0309 0.0291 2658 TYR 108 OH 0.0061 -0.0380 0.0315 2659 TYR 108 H 0.0036 -0.0152 0.0079 2660 TYR 108 HA 0.0074 0.0010 0.0132 2661 TYR 108 HB3 0.0079 -0.0087 0.0208 2662 TYR 108 HB2 0.0098 -0.0044 0.0258 2663 TYR 108 HD1 0.0051 -0.0228 0.0184 2664 TYR 108 HD2 0.0098 -0.0117 0.0303 2665 TYR 108 HE1 0.0043 -0.0356 0.0229 2666 TYR 108 HE2 0.0090 -0.0245 0.0347 2667 TYR 108 HH 0.0061 -0.0380 0.0316 2668 HIS 109 N 0.0050 -0.0087 0.0094 2669 HIS 109 CA 0.0050 -0.0081 0.0088 2670 HIS 109 C 0.0049 -0.0008 0.0043 2671 HIS 109 O 0.0056 0.0017 0.0053 2672 HIS 109 CB 0.0030 -0.0154 0.0054 2673 HIS 109 CG 0.0029 -0.0229 0.0096 2674 HIS 109 ND1 0.0016 -0.0276 0.0070 2675 HIS 109 CD2 0.0040 -0.0265 0.0161 2676 HIS 109 CE1 0.0019 -0.0336 0.0119 2677 HIS 109 NE2 0.0033 -0.0334 0.0176 2678 HIS 109 H 0.0035 -0.0125 0.0058 2679 HIS 109 HA 0.0065 -0.0077 0.0145 2680 HIS 109 HB3 0.0030 -0.0150 0.0053 2681 HIS 109 HB2 0.0015 -0.0158 -0.0005 2682 HIS 109 HD1 0.0006 -0.0262 0.0025 2683 HIS 109 HD2 0.0052 -0.0248 0.0199 2684 HIS 109 HE1 0.0010 -0.0382 0.0113 2685 MET 110 N 0.0062 -0.0011 0.0006 2686 MET 110 CA 0.0059 -0.0001 0.0002 2687 MET 110 C 0.0063 0.0003 0.0006 2688 MET 110 O 0.0067 -0.0002 0.0011 2689 MET 110 CB 0.0051 -0.0004 -0.0006 2690 MET 110 CG 0.0046 -0.0008 -0.0010 2691 MET 110 SD 0.0046 0.0001 -0.0011 2692 MET 110 CE 0.0040 0.0010 -0.0018 2693 MET 110 H 0.0060 -0.0017 0.0006 2694 MET 110 HA 0.0059 0.0004 0.0002 2695 MET 110 HB3 0.0049 0.0003 -0.0008 2696 MET 110 HB2 0.0050 -0.0009 -0.0006 2697 MET 110 HG3 0.0041 -0.0010 -0.0015 2698 MET 110 HG2 0.0049 -0.0014 -0.0007 2699 MET 110 HE1 0.0039 0.0016 -0.0020 2700 MET 110 HE2 0.0036 0.0006 -0.0022 2701 MET 110 HE3 0.0043 0.0014 -0.0015 2702 ASN 111 N 0.0062 0.0013 0.0004 2703 ASN 111 CA 0.0066 0.0018 0.0008 2704 ASN 111 C 0.0060 0.0023 0.0002 2705 ASN 111 O 0.0056 0.0029 -0.0003 2706 ASN 111 CB 0.0071 0.0026 0.0013 2707 ASN 111 CG 0.0078 0.0023 0.0020 2708 ASN 111 OD1 0.0082 0.0029 0.0024 2709 ASN 111 ND2 0.0079 0.0013 0.0022 2710 ASN 111 H 0.0059 0.0017 0.0001 2711 ASN 111 HA 0.0068 0.0012 0.0011 2712 ASN 111 HB3 0.0073 0.0031 0.0014 2713 ASN 111 HB2 0.0069 0.0031 0.0010 2714 ASN 111 HD22 0.0083 0.0011 0.0027 2715 ASN 111 HD21 0.0075 0.0007 0.0019 2716 SER 112 N 0.0014 0.0053 -0.0019 2717 SER 112 CA 0.0018 0.0047 -0.0016 2718 SER 112 C 0.0014 0.0038 -0.0020 2719 SER 112 O 0.0009 0.0039 -0.0026 2720 SER 112 CB 0.0018 0.0052 -0.0014 2721 SER 112 OG 0.0023 0.0059 -0.0009 2722 SER 112 H 0.0010 0.0057 -0.0023 2723 SER 112 HA 0.0022 0.0045 -0.0011 2724 SER 112 HB3 0.0020 0.0047 -0.0013 2725 SER 112 HB2 0.0014 0.0055 -0.0019 2726 SER 112 HG 0.0020 0.0065 -0.0011 2727 VAL 113 N 0.0017 0.0030 -0.0018 2728 VAL 113 CA 0.0014 0.0021 -0.0021 2729 VAL 113 C 0.0019 0.0015 -0.0017 2730 VAL 113 O 0.0025 0.0015 -0.0011 2731 VAL 113 CB 0.0013 0.0016 -0.0024 2732 VAL 113 CG1 0.0007 0.0021 -0.0029 2733 VAL 113 CG2 0.0019 0.0014 -0.0017 2734 VAL 113 H 0.0021 0.0029 -0.0013 2735 VAL 113 HA 0.0010 0.0022 -0.0026 2736 VAL 113 HB 0.0011 0.0009 -0.0026 2737 VAL 113 HG11 0.0006 0.0017 -0.0031 2738 VAL 113 HG12 0.0003 0.0022 -0.0034 2739 VAL 113 HG13 0.0008 0.0028 -0.0027 2740 VAL 113 HG21 0.0017 0.0011 -0.0019 2741 VAL 113 HG22 0.0021 0.0020 -0.0014 2742 VAL 113 HG23 0.0022 0.0009 -0.0014 2743 PRO 114 N -0.0057 -0.0006 -0.0054 2744 PRO 114 CA -0.0058 -0.0014 -0.0050 2745 PRO 114 C -0.0056 -0.0029 -0.0039 2746 PRO 114 O -0.0064 -0.0038 -0.0039 2747 PRO 114 CB -0.0072 -0.0014 -0.0059 2748 PRO 114 CG -0.0082 -0.0014 -0.0065 2749 PRO 114 CD -0.0072 -0.0005 -0.0064 2750 PRO 114 HA -0.0049 -0.0007 -0.0048 2751 PRO 114 HB3 -0.0071 -0.0003 -0.0065 2752 PRO 114 HB2 -0.0077 -0.0023 -0.0056 2753 PRO 114 HG3 -0.0092 -0.0009 -0.0074 2754 PRO 114 HG2 -0.0087 -0.0025 -0.0061 2755 PRO 114 HD2 -0.0075 -0.0010 -0.0063 2756 PRO 114 HD3 -0.0072 0.0006 -0.0071 2757 ILE 115 N -0.0046 -0.0033 -0.0031 2758 ILE 115 CA -0.0045 -0.0048 -0.0021 2759 ILE 115 C -0.0057 -0.0056 -0.0024 2760 ILE 115 O -0.0058 -0.0051 -0.0027 2761 ILE 115 CB -0.0030 -0.0049 -0.0011 2762 ILE 115 CG1 -0.0017 -0.0040 -0.0009 2763 ILE 115 CG2 -0.0029 -0.0065 -0.0001 2764 ILE 115 CD1 -0.0002 -0.0039 -0.0000 2765 ILE 115 H -0.0041 -0.0026 -0.0032 2766 ILE 115 HA -0.0046 -0.0053 -0.0019 2767 ILE 115 HB -0.0029 -0.0044 -0.0013 2768 ILE 115 HG13 -0.0018 -0.0029 -0.0016 2769 ILE 115 HG12 -0.0018 -0.0045 -0.0006 2770 ILE 115 HG21 -0.0019 -0.0066 0.0006 2771 ILE 115 HG22 -0.0038 -0.0072 -0.0002 2772 ILE 115 HG23 -0.0030 -0.0071 0.0002 2773 ILE 115 HD11 0.0007 -0.0031 0.0001 2774 ILE 115 HD12 -0.0002 -0.0035 -0.0002 2775 ILE 115 HD13 0.0000 -0.0049 0.0008 2776 GLN 116 N -0.0074 -0.0081 -0.0042 2777 GLN 116 CA -0.0088 -0.0083 -0.0042 2778 GLN 116 C -0.0086 -0.0092 -0.0034 2779 GLN 116 O -0.0080 -0.0101 -0.0027 2780 GLN 116 CB -0.0101 -0.0085 -0.0040 2781 GLN 116 CG -0.0101 -0.0076 -0.0047 2782 GLN 116 CD -0.0117 -0.0072 -0.0051 2783 GLN 116 OE1 -0.0126 -0.0079 -0.0046 2784 GLN 116 NE2 -0.0120 -0.0061 -0.0060 2785 GLN 116 H -0.0072 -0.0088 -0.0037 2786 GLN 116 HA -0.0091 -0.0075 -0.0048 2787 GLN 116 HB3 -0.0111 -0.0085 -0.0041 2788 GLN 116 HB2 -0.0101 -0.0094 -0.0033 2789 GLN 116 HG3 -0.0096 -0.0079 -0.0044 2790 GLN 116 HG2 -0.0095 -0.0068 -0.0053 2791 GLN 116 HE22 -0.0130 -0.0058 -0.0062 2792 GLN 116 HE21 -0.0113 -0.0055 -0.0064 2793 GLN 117 N -0.0091 -0.0090 -0.0036 2794 GLN 117 CA -0.0091 -0.0098 -0.0029 2795 GLN 117 C -0.0106 -0.0101 -0.0028 2796 GLN 117 O -0.0115 -0.0093 -0.0034 2797 GLN 117 CB -0.0081 -0.0093 -0.0033 2798 GLN 117 CG -0.0077 -0.0101 -0.0026 2799 GLN 117 CD -0.0070 -0.0112 -0.0017 2800 GLN 117 OE1 -0.0077 -0.0121 -0.0010 2801 GLN 117 NE2 -0.0056 -0.0112 -0.0017 2802 GLN 117 H -0.0097 -0.0083 -0.0042 2803 GLN 117 HA -0.0086 -0.0107 -0.0022 2804 GLN 117 HB3 -0.0086 -0.0086 -0.0039 2805 GLN 117 HB2 -0.0071 -0.0090 -0.0035 2806 GLN 117 HG3 -0.0087 -0.0104 -0.0025 2807 GLN 117 HG2 -0.0070 -0.0097 -0.0030 2808 GLN 117 HE22 -0.0051 -0.0119 -0.0012 2809 GLN 117 HE21 -0.0050 -0.0104 -0.0023 2810 GLU 118 N -0.0126 -0.0013 -0.0041 2811 GLU 118 CA -0.0117 -0.0008 -0.0042 2812 GLU 118 C -0.0139 -0.0015 -0.0040 2813 GLU 118 O -0.0159 -0.0002 -0.0038 2814 GLU 118 CB -0.0108 0.0021 -0.0042 2815 GLU 118 CG -0.0081 0.0027 -0.0044 2816 GLU 118 CD -0.0069 0.0052 -0.0044 2817 GLU 118 OE1 -0.0084 0.0070 -0.0042 2818 GLU 118 OE2 -0.0045 0.0054 -0.0046 2819 GLU 118 H -0.0137 0.0001 -0.0040 2820 GLU 118 HA -0.0100 -0.0020 -0.0043 2821 GLU 118 HB3 -0.0110 0.0027 -0.0041 2822 GLU 118 HB2 -0.0122 0.0033 -0.0040 2823 GLU 118 HG3 -0.0081 0.0028 -0.0044 2824 GLU 118 HG2 -0.0068 0.0011 -0.0045 2825 ILE 119 N -0.0135 -0.0035 -0.0041 2826 ILE 119 CA -0.0154 -0.0042 -0.0039 2827 ILE 119 C -0.0141 -0.0041 -0.0040 2828 ILE 119 O -0.0117 -0.0042 -0.0042 2829 ILE 119 CB -0.0165 -0.0070 -0.0039 2830 ILE 119 CG1 -0.0145 -0.0093 -0.0041 2831 ILE 119 CG2 -0.0181 -0.0071 -0.0038 2832 ILE 119 CD1 -0.0158 -0.0119 -0.0041 2833 ILE 119 H -0.0117 -0.0043 -0.0042 2834 ILE 119 HA -0.0170 -0.0028 -0.0038 2835 ILE 119 HB -0.0179 -0.0073 -0.0038 2836 ILE 119 HG13 -0.0131 -0.0089 -0.0042 2837 ILE 119 HG12 -0.0134 -0.0094 -0.0042 2838 ILE 119 HG21 -0.0192 -0.0090 -0.0037 2839 ILE 119 HG22 -0.0195 -0.0056 -0.0036 2840 ILE 119 HG23 -0.0168 -0.0069 -0.0039 2841 ILE 119 HD11 -0.0146 -0.0135 -0.0042 2842 ILE 119 HD12 -0.0161 -0.0120 -0.0041 2843 ILE 119 HD13 -0.0177 -0.0122 -0.0039 2844 LEU 120 N -0.0120 -0.0002 -0.0041 2845 LEU 120 CA -0.0115 -0.0002 -0.0041 2846 LEU 120 C -0.0117 -0.0015 -0.0041 2847 LEU 120 O -0.0125 -0.0022 -0.0040 2848 LEU 120 CB -0.0123 0.0007 -0.0041 2849 LEU 120 CG -0.0121 0.0021 -0.0041 2850 LEU 120 CD1 -0.0130 0.0029 -0.0041 2851 LEU 120 CD2 -0.0108 0.0025 -0.0042 2852 LEU 120 H -0.0129 -0.0002 -0.0040 2853 LEU 120 HA -0.0106 0.0000 -0.0041 2854 LEU 120 HB3 -0.0121 0.0006 -0.0041 2855 LEU 120 HB2 -0.0133 0.0005 -0.0040 2856 LEU 120 HG -0.0123 0.0022 -0.0041 2857 LEU 120 HD11 -0.0131 0.0038 -0.0041 2858 LEU 120 HD12 -0.0140 0.0025 -0.0040 2859 LEU 120 HD13 -0.0128 0.0031 -0.0041 2860 LEU 120 HD21 -0.0107 0.0035 -0.0042 2861 LEU 120 HD22 -0.0104 0.0022 -0.0042 2862 LEU 120 HD23 -0.0102 0.0022 -0.0042 2863 VAL 121 N -0.0109 -0.0019 -0.0041 2864 VAL 121 CA -0.0110 -0.0030 -0.0041 2865 VAL 121 C -0.0106 -0.0026 -0.0041 2866 VAL 121 O -0.0099 -0.0017 -0.0041 2867 VAL 121 CB -0.0101 -0.0040 -0.0041 2868 VAL 121 CG1 -0.0105 -0.0044 -0.0041 2869 VAL 121 CG2 -0.0088 -0.0037 -0.0042 2870 VAL 121 H -0.0102 -0.0013 -0.0041 2871 VAL 121 HA -0.0119 -0.0033 -0.0040 2872 VAL 121 HB -0.0103 -0.0048 -0.0041 2873 VAL 121 HG11 -0.0100 -0.0052 -0.0041 2874 VAL 121 HG12 -0.0115 -0.0047 -0.0040 2875 VAL 121 HG13 -0.0105 -0.0037 -0.0041 2876 VAL 121 HG21 -0.0082 -0.0044 -0.0042 2877 VAL 121 HG22 -0.0086 -0.0029 -0.0042 2878 VAL 121 HG23 -0.0084 -0.0036 -0.0042 2879 LEU 122 N -0.0065 -0.0014 -0.0035 2880 LEU 122 CA -0.0061 -0.0014 -0.0035 2881 LEU 122 C -0.0068 -0.0008 -0.0030 2882 LEU 122 O -0.0068 -0.0000 -0.0024 2883 LEU 122 CB -0.0049 -0.0011 -0.0034 2884 LEU 122 CG -0.0041 -0.0016 -0.0040 2885 LEU 122 CD1 -0.0029 -0.0012 -0.0038 2886 LEU 122 CD2 -0.0041 -0.0025 -0.0047 2887 LEU 122 H -0.0062 -0.0009 -0.0031 2888 LEU 122 HA -0.0062 -0.0021 -0.0040 2889 LEU 122 HB3 -0.0047 -0.0010 -0.0034 2890 LEU 122 HB2 -0.0048 -0.0004 -0.0030 2891 LEU 122 HG -0.0044 -0.0017 -0.0040 2892 LEU 122 HD11 -0.0024 -0.0016 -0.0042 2893 LEU 122 HD12 -0.0029 -0.0005 -0.0033 2894 LEU 122 HD13 -0.0026 -0.0010 -0.0038 2895 LEU 122 HD21 -0.0036 -0.0029 -0.0051 2896 LEU 122 HD22 -0.0038 -0.0025 -0.0047 2897 LEU 122 HD23 -0.0049 -0.0029 -0.0048 2898 ARG 123 N -0.0073 -0.0010 -0.0031 2899 ARG 123 CA -0.0077 -0.0004 -0.0026 2900 ARG 123 C -0.0070 -0.0004 -0.0026 2901 ARG 123 O -0.0066 -0.0011 -0.0032 2902 ARG 123 CB -0.0089 -0.0007 -0.0026 2903 ARG 123 CG -0.0094 -0.0001 -0.0021 2904 ARG 123 CD -0.0106 -0.0001 -0.0019 2905 ARG 123 NE -0.0111 -0.0000 -0.0018 2906 ARG 123 CZ -0.0111 0.0007 -0.0012 2907 ARG 123 NH1 -0.0108 0.0015 -0.0007 2908 ARG 123 NH2 -0.0115 0.0006 -0.0012 2909 ARG 123 H -0.0072 -0.0017 -0.0036 2910 ARG 123 HA -0.0077 0.0002 -0.0021 2911 ARG 123 HB3 -0.0090 -0.0014 -0.0031 2912 ARG 123 HB2 -0.0094 -0.0008 -0.0026 2913 ARG 123 HG3 -0.0091 0.0006 -0.0016 2914 ARG 123 HG2 -0.0091 -0.0002 -0.0022 2915 ARG 123 HD3 -0.0109 0.0004 -0.0015 2916 ARG 123 HD2 -0.0110 -0.0007 -0.0023 2917 ARG 123 HH22 -0.0116 0.0012 -0.0008 2918 ARG 123 HH21 -0.0118 0.0000 -0.0017 2919 ARG 123 HH12 -0.0108 0.0021 -0.0002 2920 ARG 123 HH11 -0.0104 0.0016 -0.0006 2921 ARG 123 HE -0.0114 -0.0006 -0.0022 2922 ARG 124 N -0.0101 0.0063 -0.0011 2923 ARG 124 CA -0.0085 0.0071 -0.0010 2924 ARG 124 C -0.0101 0.0056 -0.0016 2925 ARG 124 O -0.0128 0.0057 -0.0009 2926 ARG 124 CB -0.0082 0.0100 0.0010 2927 ARG 124 CG -0.0065 0.0116 0.0017 2928 ARG 124 CD -0.0061 0.0145 0.0038 2929 ARG 124 NE -0.0050 0.0159 0.0045 2930 ARG 124 CZ -0.0022 0.0161 0.0040 2931 ARG 124 NH1 0.0001 0.0152 0.0028 2932 ARG 124 NH2 -0.0018 0.0174 0.0048 2933 ARG 124 H -0.0111 0.0077 0.0001 2934 ARG 124 HA -0.0061 0.0066 -0.0019 2935 ARG 124 HB3 -0.0071 0.0105 0.0012 2936 ARG 124 HB2 -0.0105 0.0105 0.0020 2937 ARG 124 HG3 -0.0074 0.0110 0.0016 2938 ARG 124 HG2 -0.0042 0.0110 0.0008 2939 ARG 124 HD3 -0.0045 0.0151 0.0038 2940 ARG 124 HD2 -0.0083 0.0151 0.0047 2941 ARG 124 HH22 0.0002 0.0178 0.0046 2942 ARG 124 HH21 -0.0037 0.0180 0.0057 2943 ARG 124 HH12 0.0022 0.0152 0.0023 2944 ARG 124 HH11 -0.0003 0.0143 0.0022 2945 ARG 124 HE -0.0067 0.0167 0.0055 2946 GLU 125 N -0.0084 0.0043 -0.0030 2947 GLU 125 CA -0.0096 0.0030 -0.0037 2948 GLU 125 C -0.0070 0.0034 -0.0040 2949 GLU 125 O -0.0047 0.0024 -0.0053 2950 GLU 125 CB -0.0106 0.0001 -0.0055 2951 GLU 125 CG -0.0118 -0.0014 -0.0063 2952 GLU 125 CD -0.0133 -0.0041 -0.0079 2953 GLU 125 OE1 -0.0154 -0.0045 -0.0077 2954 GLU 125 OE2 -0.0123 -0.0060 -0.0094 2955 GLU 125 H -0.0061 0.0044 -0.0035 2956 GLU 125 HA -0.0116 0.0037 -0.0026 2957 GLU 125 HB3 -0.0088 -0.0008 -0.0066 2958 GLU 125 HB2 -0.0125 0.0000 -0.0051 2959 GLU 125 HG3 -0.0136 -0.0005 -0.0052 2960 GLU 125 HG2 -0.0100 -0.0014 -0.0068 2961 PRO 126 N -0.0119 0.0035 -0.0029 2962 PRO 126 CA -0.0174 0.0064 0.0004 2963 PRO 126 C -0.0175 0.0110 0.0030 2964 PRO 126 O -0.0128 0.0126 0.0024 2965 PRO 126 CB -0.0169 0.0088 0.0016 2966 PRO 126 CG -0.0101 0.0096 -0.0001 2967 PRO 126 CD -0.0078 0.0047 -0.0035 2968 PRO 126 HA -0.0214 0.0033 -0.0001 2969 PRO 126 HB3 -0.0193 0.0057 0.0006 2970 PRO 126 HB2 -0.0189 0.0126 0.0043 2971 PRO 126 HG3 -0.0092 0.0097 -0.0003 2972 PRO 126 HG2 -0.0079 0.0135 0.0015 2973 PRO 126 HD2 -0.0030 0.0057 -0.0044 2974 PRO 126 HD3 -0.0083 0.0010 -0.0054 2975 PRO 127 N -0.0229 0.0130 0.0058 2976 PRO 127 CA -0.0234 0.0178 0.0086 2977 PRO 127 C -0.0185 0.0229 0.0099 2978 PRO 127 O -0.0169 0.0241 0.0100 2979 PRO 127 CB -0.0299 0.0191 0.0113 2980 PRO 127 CG -0.0335 0.0136 0.0093 2981 PRO 127 CD -0.0287 0.0111 0.0065 2982 PRO 127 HA -0.0230 0.0163 0.0076 2983 PRO 127 HB3 -0.0319 0.0207 0.0128 2984 PRO 127 HB2 -0.0299 0.0222 0.0130 2985 PRO 127 HG3 -0.0347 0.0109 0.0082 2986 PRO 127 HG2 -0.0376 0.0140 0.0108 2987 PRO 127 HD2 -0.0287 0.0127 0.0073 2988 PRO 127 HD3 -0.0299 0.0065 0.0043 2989 HIS 128 N -0.0196 0.0227 0.0111 2990 HIS 128 CA -0.0147 0.0283 0.0114 2991 HIS 128 C -0.0081 0.0269 0.0087 2992 HIS 128 O -0.0037 0.0314 0.0089 2993 HIS 128 CB -0.0173 0.0341 0.0144 2994 HIS 128 CG -0.0242 0.0354 0.0171 2995 HIS 128 ND1 -0.0266 0.0349 0.0178 2996 HIS 128 CD2 -0.0294 0.0367 0.0193 2997 HIS 128 CE1 -0.0329 0.0360 0.0202 2998 HIS 128 NE2 -0.0349 0.0371 0.0213 2999 HIS 128 H -0.0211 0.0215 0.0111 3000 HIS 128 HA -0.0138 0.0297 0.0117 3001 HIS 128 HB3 -0.0142 0.0385 0.0149 3002 HIS 128 HB2 -0.0172 0.0335 0.0141 3003 HIS 128 HD1 -0.0244 0.0335 0.0165 3004 HIS 128 HD2 -0.0296 0.0373 0.0196 3005 HIS 128 HE1 -0.0360 0.0358 0.0212 3006 SER 129 N -0.0072 0.0208 0.0062 3007 SER 129 CA -0.0010 0.0189 0.0035 3008 SER 129 C 0.0045 0.0201 0.0021 3009 SER 129 O 0.0038 0.0174 0.0014 3010 SER 129 CB -0.0017 0.0118 0.0012 3011 SER 129 OG 0.0044 0.0101 -0.0014 3012 SER 129 H -0.0110 0.0173 0.0063 3013 SER 129 HA 0.0001 0.0218 0.0042 3014 SER 129 HB3 -0.0034 0.0086 0.0006 3015 SER 129 HB2 -0.0053 0.0110 0.0021 3016 SER 129 HG 0.0037 0.0057 -0.0028 3017 PRO 130 N 0.0042 0.0154 0.0077 3018 PRO 130 CA 0.0071 0.0164 0.0087 3019 PRO 130 C 0.0091 0.0132 0.0068 3020 PRO 130 O 0.0107 0.0139 0.0074 3021 PRO 130 CB 0.0104 0.0186 0.0106 3022 PRO 130 CG 0.0107 0.0169 0.0095 3023 PRO 130 CD 0.0061 0.0159 0.0083 3024 PRO 130 HA 0.0053 0.0182 0.0097 3025 PRO 130 HB3 0.0092 0.0214 0.0123 3026 PRO 130 HB2 0.0135 0.0185 0.0109 3027 PRO 130 HG3 0.0120 0.0187 0.0108 3028 PRO 130 HG2 0.0129 0.0144 0.0080 3029 PRO 130 HD2 0.0060 0.0136 0.0067 3030 PRO 130 HD3 0.0043 0.0182 0.0096 3031 ASN 131 N 0.0091 0.0099 0.0045 3032 ASN 131 CA 0.0119 0.0068 0.0028 3033 ASN 131 C 0.0099 0.0032 0.0001 3034 ASN 131 O 0.0122 0.0005 -0.0015 3035 ASN 131 CB 0.0162 0.0065 0.0030 3036 ASN 131 CG 0.0160 0.0052 0.0021 3037 ASN 131 OD1 0.0125 0.0047 0.0014 3038 ASN 131 ND2 0.0197 0.0048 0.0022 3039 ASN 131 H 0.0075 0.0094 0.0040 3040 ASN 131 HA 0.0128 0.0073 0.0032 3041 ASN 131 HB3 0.0177 0.0091 0.0050 3042 ASN 131 HB2 0.0185 0.0047 0.0020 3043 ASN 131 HD22 0.0195 0.0040 0.0017 3044 ASN 131 HD21 0.0225 0.0052 0.0028 3045 SER 132 N 0.0053 0.0034 -0.0025 3046 SER 132 CA 0.0040 0.0017 -0.0041 3047 SER 132 C 0.0014 0.0018 -0.0039 3048 SER 132 O 0.0000 0.0030 -0.0028 3049 SER 132 CB 0.0043 0.0010 -0.0048 3050 SER 132 OG 0.0030 0.0020 -0.0038 3051 SER 132 H 0.0044 0.0044 -0.0015 3052 SER 132 HA 0.0049 0.0007 -0.0051 3053 SER 132 HB3 0.0063 0.0010 -0.0048 3054 SER 132 HB2 0.0037 -0.0004 -0.0061 3055 SER 132 HG 0.0013 0.0016 -0.0041 3056 PHE 133 N 0.0007 0.0007 -0.0050 3057 PHE 133 CA -0.0017 0.0007 -0.0049 3058 PHE 133 C -0.0028 -0.0012 -0.0067 3059 PHE 133 O -0.0015 -0.0025 -0.0080 3060 PHE 133 CB -0.0014 0.0012 -0.0044 3061 PHE 133 CG -0.0002 0.0031 -0.0026 3062 PHE 133 CD1 0.0023 0.0033 -0.0025 3063 PHE 133 CD2 -0.0017 0.0046 -0.0012 3064 PHE 133 CE1 0.0034 0.0050 -0.0009 3065 PHE 133 CE2 -0.0007 0.0062 0.0004 3066 PHE 133 CZ 0.0019 0.0065 0.0005 3067 PHE 133 H 0.0019 -0.0002 -0.0059 3068 PHE 133 HA -0.0029 0.0016 -0.0040 3069 PHE 133 HB3 -0.0031 0.0012 -0.0044 3070 PHE 133 HB2 -0.0002 0.0003 -0.0053 3071 PHE 133 HD1 0.0035 0.0022 -0.0036 3072 PHE 133 HD2 -0.0037 0.0044 -0.0013 3073 PHE 133 HE1 0.0053 0.0052 -0.0008 3074 PHE 133 HE2 -0.0018 0.0074 0.0015 3075 PHE 133 HZ 0.0027 0.0078 0.0018 3076 ARG 134 N -0.0039 0.0004 -0.0061 3077 ARG 134 CA -0.0044 0.0001 -0.0067 3078 ARG 134 C -0.0048 0.0009 -0.0063 3079 ARG 134 O -0.0051 0.0017 -0.0058 3080 ARG 134 CB -0.0052 -0.0001 -0.0076 3081 ARG 134 CG -0.0057 -0.0004 -0.0083 3082 ARG 134 CD -0.0066 -0.0004 -0.0091 3083 ARG 134 NE -0.0064 -0.0012 -0.0096 3084 ARG 134 CZ -0.0063 -0.0020 -0.0103 3085 ARG 134 NH1 -0.0065 -0.0023 -0.0107 3086 ARG 134 NH2 -0.0061 -0.0026 -0.0107 3087 ARG 134 H -0.0043 0.0010 -0.0058 3088 ARG 134 HA -0.0039 -0.0005 -0.0068 3089 ARG 134 HB3 -0.0057 0.0006 -0.0074 3090 ARG 134 HB2 -0.0049 -0.0006 -0.0078 3091 ARG 134 HG3 -0.0052 -0.0011 -0.0085 3092 ARG 134 HG2 -0.0059 0.0000 -0.0081 3093 ARG 134 HD3 -0.0071 -0.0005 -0.0096 3094 ARG 134 HD2 -0.0070 0.0002 -0.0089 3095 ARG 134 HH22 -0.0064 -0.0030 -0.0113 3096 ARG 134 HH21 -0.0059 -0.0024 -0.0102 3097 ARG 134 HH12 -0.0065 -0.0029 -0.0113 3098 ARG 134 HH11 -0.0065 -0.0019 -0.0104 3099 ARG 134 HE -0.0063 -0.0010 -0.0093 3100 LEU 135 N -0.0048 0.0007 -0.0066 3101 LEU 135 CA -0.0054 0.0013 -0.0064 3102 LEU 135 C -0.0064 0.0018 -0.0070 3103 LEU 135 O -0.0068 0.0013 -0.0078 3104 LEU 135 CB -0.0052 0.0009 -0.0067 3105 LEU 135 CG -0.0042 0.0007 -0.0061 3106 LEU 135 CD1 -0.0041 0.0001 -0.0065 3107 LEU 135 CD2 -0.0041 0.0015 -0.0052 3108 LEU 135 H -0.0045 0.0000 -0.0069 3109 LEU 135 HA -0.0052 0.0019 -0.0057 3110 LEU 135 HB3 -0.0057 0.0013 -0.0068 3111 LEU 135 HB2 -0.0053 0.0003 -0.0073 3112 LEU 135 HG -0.0037 0.0003 -0.0060 3113 LEU 135 HD11 -0.0034 -0.0002 -0.0061 3114 LEU 135 HD12 -0.0043 -0.0005 -0.0072 3115 LEU 135 HD13 -0.0046 0.0005 -0.0065 3116 LEU 135 HD21 -0.0034 0.0014 -0.0047 3117 LEU 135 HD22 -0.0046 0.0019 -0.0052 3118 LEU 135 HD23 -0.0043 0.0020 -0.0049 3119 GLU 136 N -0.0111 0.0001 -0.0053 3120 GLU 136 CA -0.0091 0.0005 -0.0060 3121 GLU 136 C -0.0097 0.0015 -0.0055 3122 GLU 136 O -0.0113 0.0008 -0.0051 3123 GLU 136 CB -0.0082 -0.0018 -0.0069 3124 GLU 136 CG -0.0058 -0.0016 -0.0078 3125 GLU 136 CD -0.0048 -0.0038 -0.0086 3126 GLU 136 OE1 -0.0050 -0.0050 -0.0088 3127 GLU 136 OE2 -0.0036 -0.0042 -0.0092 3128 GLU 136 H -0.0123 -0.0009 -0.0050 3129 GLU 136 HA -0.0080 0.0016 -0.0062 3130 GLU 136 HB3 -0.0085 -0.0025 -0.0069 3131 GLU 136 HB2 -0.0089 -0.0030 -0.0068 3132 GLU 136 HG3 -0.0054 -0.0008 -0.0077 3133 GLU 136 HG2 -0.0051 -0.0004 -0.0078 3134 LYS 137 N -0.0084 0.0033 -0.0057 3135 LYS 137 CA -0.0086 0.0042 -0.0054 3136 LYS 137 C -0.0070 0.0032 -0.0063 3137 LYS 137 O -0.0051 0.0034 -0.0070 3138 LYS 137 CB -0.0083 0.0068 -0.0050 3139 LYS 137 CG -0.0092 0.0079 -0.0044 3140 LYS 137 CD -0.0079 0.0100 -0.0044 3141 LYS 137 CE -0.0080 0.0121 -0.0039 3142 LYS 137 NZ -0.0067 0.0140 -0.0040 3143 LYS 137 H -0.0071 0.0038 -0.0061 3144 LYS 137 HA -0.0102 0.0038 -0.0048 3145 LYS 137 HB3 -0.0066 0.0073 -0.0055 3146 LYS 137 HB2 -0.0090 0.0074 -0.0045 3147 LYS 137 HG3 -0.0108 0.0083 -0.0036 3148 LYS 137 HG2 -0.0093 0.0067 -0.0046 3149 LYS 137 HD3 -0.0085 0.0103 -0.0041 3150 LYS 137 HD2 -0.0062 0.0096 -0.0052 3151 LYS 137 HE3 -0.0074 0.0118 -0.0042 3152 LYS 137 HE2 -0.0096 0.0125 -0.0032 3153 LYS 137 HZ1 -0.0072 0.0141 -0.0038 3154 LYS 137 HZ2 -0.0068 0.0154 -0.0037 3155 LYS 137 HZ3 -0.0051 0.0137 -0.0047 3156 ILE 138 N -0.0099 -0.0028 -0.0053 3157 ILE 138 CA -0.0087 -0.0050 -0.0050 3158 ILE 138 C -0.0098 -0.0054 -0.0053 3159 ILE 138 O -0.0117 -0.0043 -0.0058 3160 ILE 138 CB -0.0090 -0.0074 -0.0051 3161 ILE 138 CG1 -0.0116 -0.0082 -0.0058 3162 ILE 138 CG2 -0.0075 -0.0072 -0.0047 3163 ILE 138 CD1 -0.0119 -0.0109 -0.0059 3164 ILE 138 H -0.0117 -0.0028 -0.0058 3165 ILE 138 HA -0.0067 -0.0046 -0.0045 3166 ILE 138 HB -0.0081 -0.0089 -0.0049 3167 ILE 138 HG13 -0.0126 -0.0082 -0.0061 3168 ILE 138 HG12 -0.0125 -0.0069 -0.0060 3169 ILE 138 HG21 -0.0075 -0.0090 -0.0047 3170 ILE 138 HG22 -0.0056 -0.0067 -0.0042 3171 ILE 138 HG23 -0.0083 -0.0058 -0.0049 3172 ILE 138 HD11 -0.0138 -0.0115 -0.0064 3173 ILE 138 HD12 -0.0108 -0.0123 -0.0056 3174 ILE 138 HD13 -0.0112 -0.0110 -0.0057 3175 LEU 139 N -0.0085 -0.0070 -0.0050 3176 LEU 139 CA -0.0093 -0.0077 -0.0052 3177 LEU 139 C -0.0100 -0.0105 -0.0054 3178 LEU 139 O -0.0085 -0.0119 -0.0050 3179 LEU 139 CB -0.0071 -0.0072 -0.0046 3180 LEU 139 CG -0.0077 -0.0073 -0.0047 3181 LEU 139 CD1 -0.0094 -0.0051 -0.0052 3182 LEU 139 CD2 -0.0053 -0.0071 -0.0041 3183 LEU 139 H -0.0072 -0.0080 -0.0046 3184 LEU 139 HA -0.0109 -0.0066 -0.0056 3185 LEU 139 HB3 -0.0057 -0.0086 -0.0042 3186 LEU 139 HB2 -0.0063 -0.0054 -0.0044 3187 LEU 139 HG -0.0085 -0.0090 -0.0050 3188 LEU 139 HD11 -0.0088 -0.0042 -0.0050 3189 LEU 139 HD12 -0.0112 -0.0058 -0.0057 3190 LEU 139 HD13 -0.0094 -0.0036 -0.0052 3191 LEU 139 HD21 -0.0056 -0.0070 -0.0042 3192 LEU 139 HD22 -0.0042 -0.0054 -0.0038 3193 LEU 139 HD23 -0.0041 -0.0088 -0.0038 3194 VAL 140 N -0.0137 -0.0107 -0.0047 3195 VAL 140 CA -0.0134 -0.0102 -0.0049 3196 VAL 140 C -0.0127 -0.0093 -0.0046 3197 VAL 140 O -0.0124 -0.0092 -0.0039 3198 VAL 140 CB -0.0135 -0.0107 -0.0044 3199 VAL 140 CG1 -0.0142 -0.0114 -0.0048 3200 VAL 140 CG2 -0.0132 -0.0109 -0.0033 3201 VAL 140 H -0.0134 -0.0107 -0.0041 3202 VAL 140 HA -0.0137 -0.0100 -0.0057 3203 VAL 140 HB -0.0133 -0.0102 -0.0045 3204 VAL 140 HG11 -0.0142 -0.0117 -0.0045 3205 VAL 140 HG12 -0.0144 -0.0112 -0.0056 3206 VAL 140 HG13 -0.0145 -0.0120 -0.0047 3207 VAL 140 HG21 -0.0133 -0.0113 -0.0029 3208 VAL 140 HG22 -0.0134 -0.0113 -0.0031 3209 VAL 140 HG23 -0.0127 -0.0104 -0.0029 3210 SER 141 N -0.0125 -0.0086 -0.0052 3211 SER 141 CA -0.0119 -0.0077 -0.0050 3212 SER 141 C -0.0115 -0.0076 -0.0043 3213 SER 141 O -0.0117 -0.0076 -0.0046 3214 SER 141 CB -0.0119 -0.0070 -0.0059 3215 SER 141 OG -0.0122 -0.0071 -0.0066 3216 SER 141 H -0.0129 -0.0087 -0.0058 3217 SER 141 HA -0.0117 -0.0076 -0.0047 3218 SER 141 HB3 -0.0114 -0.0063 -0.0058 3219 SER 141 HB2 -0.0121 -0.0071 -0.0063 3220 SER 141 HG -0.0126 -0.0076 -0.0069 3221 VAL 142 N -0.0084 -0.0071 -0.0033 3222 VAL 142 CA -0.0071 -0.0070 -0.0023 3223 VAL 142 C -0.0059 -0.0054 -0.0021 3224 VAL 142 O -0.0049 -0.0051 -0.0013 3225 VAL 142 CB -0.0066 -0.0085 -0.0010 3226 VAL 142 CG1 -0.0076 -0.0101 -0.0009 3227 VAL 142 CG2 -0.0062 -0.0085 -0.0006 3228 VAL 142 H -0.0084 -0.0075 -0.0032 3229 VAL 142 HA -0.0074 -0.0072 -0.0025 3230 VAL 142 HB -0.0056 -0.0083 -0.0002 3231 VAL 142 HG11 -0.0071 -0.0111 0.0000 3232 VAL 142 HG12 -0.0078 -0.0101 -0.0012 3233 VAL 142 HG13 -0.0085 -0.0105 -0.0016 3234 VAL 142 HG21 -0.0058 -0.0095 0.0003 3235 VAL 142 HG22 -0.0071 -0.0087 -0.0013 3236 VAL 142 HG23 -0.0054 -0.0074 -0.0005 3237 GLY 143 N -0.0061 -0.0043 -0.0028 3238 GLY 143 CA -0.0050 -0.0028 -0.0027 3239 GLY 143 C -0.0053 -0.0023 -0.0032 3240 GLY 143 O -0.0063 -0.0031 -0.0037 3241 GLY 143 H -0.0069 -0.0046 -0.0034 3242 GLY 143 HA3 -0.0039 -0.0029 -0.0017 3243 GLY 143 HA2 -0.0050 -0.0018 -0.0032 3244 CYS 144 N -0.0009 0.0013 -0.0019 3245 CYS 144 CA -0.0009 0.0016 -0.0021 3246 CYS 144 C 0.0002 0.0018 -0.0014 3247 CYS 144 O 0.0010 0.0020 -0.0010 3248 CYS 144 CB -0.0011 0.0026 -0.0031 3249 CYS 144 SG -0.0024 0.0025 -0.0040 3250 CYS 144 H -0.0003 0.0017 -0.0018 3251 CYS 144 HA -0.0014 0.0010 -0.0021 3252 CYS 144 HB3 -0.0011 0.0029 -0.0032 3253 CYS 144 HB2 -0.0005 0.0033 -0.0031 3254 THR 145 N 0.0002 0.0017 -0.0013 3255 THR 145 CA 0.0012 0.0019 -0.0007 3256 THR 145 C 0.0012 0.0025 -0.0012 3257 THR 145 O 0.0003 0.0024 -0.0018 3258 THR 145 CB 0.0013 0.0008 0.0002 3259 THR 145 OG1 0.0023 0.0010 0.0009 3260 THR 145 CG2 0.0005 0.0001 0.0001 3261 THR 145 H -0.0004 0.0016 -0.0017 3262 THR 145 HA 0.0019 0.0023 -0.0005 3263 THR 145 HB 0.0012 0.0004 0.0005 3264 THR 145 HG1 0.0027 0.0009 0.0013 3265 THR 145 HG21 0.0006 -0.0006 0.0008 3266 THR 145 HG22 -0.0003 -0.0000 -0.0004 3267 THR 145 HG23 0.0006 0.0005 -0.0001 3268 CYS 146 N 0.0038 0.0017 -0.0009 3269 CYS 146 CA 0.0040 0.0021 -0.0011 3270 CYS 146 C 0.0041 0.0023 -0.0010 3271 CYS 146 O 0.0041 0.0024 -0.0006 3272 CYS 146 CB 0.0041 0.0024 -0.0010 3273 CYS 146 SG 0.0044 0.0029 -0.0013 3274 CYS 146 H 0.0038 0.0017 -0.0005 3275 CYS 146 HA 0.0040 0.0020 -0.0015 3276 CYS 146 HB3 0.0041 0.0025 -0.0006 3277 CYS 146 HB2 0.0041 0.0022 -0.0010 3278 VAL 147 N 0.0042 0.0024 -0.0014 3279 VAL 147 CA 0.0043 0.0026 -0.0014 3280 VAL 147 C 0.0045 0.0030 -0.0017 3281 VAL 147 O 0.0045 0.0030 -0.0020 3282 VAL 147 CB 0.0042 0.0023 -0.0015 3283 VAL 147 CG1 0.0040 0.0019 -0.0012 3284 VAL 147 CG2 0.0042 0.0021 -0.0021 3285 VAL 147 H 0.0042 0.0023 -0.0017 3286 VAL 147 HA 0.0043 0.0027 -0.0010 3287 VAL 147 HB 0.0042 0.0025 -0.0015 3288 VAL 147 HG11 0.0039 0.0017 -0.0014 3289 VAL 147 HG12 0.0040 0.0020 -0.0009 3290 VAL 147 HG13 0.0039 0.0017 -0.0012 3291 VAL 147 HG21 0.0041 0.0019 -0.0022 3292 VAL 147 HG22 0.0041 0.0020 -0.0021 3293 VAL 147 HG23 0.0043 0.0024 -0.0023 3294 THR 148 N 0.0066 0.0004 -0.0011 3295 THR 148 CA 0.0076 0.0010 -0.0014 3296 THR 148 C 0.0092 0.0012 -0.0019 3297 THR 148 O 0.0093 0.0017 -0.0020 3298 THR 148 CB 0.0070 0.0027 -0.0014 3299 THR 148 OG1 0.0068 0.0037 -0.0014 3300 THR 148 CG2 0.0055 0.0026 -0.0009 3301 THR 148 H 0.0059 0.0012 -0.0009 3302 THR 148 HA 0.0076 0.0002 -0.0014 3303 THR 148 HB 0.0079 0.0032 -0.0017 3304 THR 148 HG1 0.0078 0.0039 -0.0017 3305 THR 148 HG21 0.0051 0.0038 -0.0008 3306 THR 148 HG22 0.0056 0.0019 -0.0009 3307 THR 148 HG23 0.0046 0.0021 -0.0006 3308 PRO 149 N 0.0104 0.0006 -0.0023 3309 PRO 149 CA 0.0120 0.0008 -0.0028 3310 PRO 149 C 0.0125 0.0025 -0.0031 3311 PRO 149 O 0.0119 0.0035 -0.0030 3312 PRO 149 CB 0.0130 -0.0001 -0.0030 3313 PRO 149 CG 0.0121 -0.0000 -0.0028 3314 PRO 149 CD 0.0104 -0.0001 -0.0022 3315 PRO 149 HA 0.0120 0.0002 -0.0028 3316 PRO 149 HB3 0.0131 -0.0013 -0.0030 3317 PRO 149 HB2 0.0141 0.0003 -0.0034 3318 PRO 149 HG3 0.0124 -0.0010 -0.0028 3319 PRO 149 HG2 0.0122 0.0011 -0.0029 3320 PRO 149 HD2 0.0097 0.0005 -0.0020 3321 PRO 149 HD3 0.0101 -0.0013 -0.0020 3322 VAL 151 N 0.0254 -0.0066 -0.0065 3323 VAL 151 CA 0.0215 -0.0055 -0.0068 3324 VAL 151 C 0.0193 -0.0088 -0.0085 3325 VAL 151 O 0.0207 -0.0115 -0.0093 3326 VAL 151 CB 0.0213 -0.0037 -0.0062 3327 VAL 151 CG1 0.0173 -0.0027 -0.0066 3328 VAL 151 CG2 0.0236 -0.0005 -0.0045 3329 VAL 151 H 0.0267 -0.0079 -0.0068 3330 VAL 151 HA 0.0204 -0.0036 -0.0063 3331 VAL 151 HB 0.0224 -0.0056 -0.0067 3332 VAL 151 HG11 0.0173 -0.0013 -0.0060 3333 VAL 151 HG12 0.0157 -0.0049 -0.0077 3334 VAL 151 HG13 0.0158 -0.0010 -0.0062 3335 VAL 151 HG21 0.0234 0.0007 -0.0041 3336 VAL 151 HG22 0.0227 0.0014 -0.0039 3337 VAL 151 HG23 0.0265 -0.0012 -0.0042 3338 HIS 152 N 0.0159 -0.0084 -0.0090 3339 HIS 152 CA 0.0133 -0.0111 -0.0106 3340 HIS 152 C 0.0095 -0.0092 -0.0106 3341 HIS 152 O 0.0093 -0.0064 -0.0095 3342 HIS 152 CB 0.0143 -0.0140 -0.0115 3343 HIS 152 CG 0.0149 -0.0130 -0.0110 3344 HIS 152 ND1 0.0180 -0.0112 -0.0097 3345 HIS 152 CD2 0.0129 -0.0135 -0.0116 3346 HIS 152 CE1 0.0177 -0.0107 -0.0096 3347 HIS 152 NE2 0.0147 -0.0120 -0.0107 3348 HIS 152 H 0.0149 -0.0061 -0.0083 3349 HIS 152 HA 0.0132 -0.0122 -0.0110 3350 HIS 152 HB3 0.0168 -0.0155 -0.0116 3351 HIS 152 HB2 0.0122 -0.0159 -0.0127 3352 HIS 152 HD1 0.0200 -0.0105 -0.0091 3353 HIS 152 HD2 0.0104 -0.0147 -0.0125 3354 HIS 152 HE1 0.0197 -0.0094 -0.0087 3355 HIS 153 N -0.0068 -0.0240 -0.0108 3356 HIS 153 CA -0.0038 -0.0251 -0.0071 3357 HIS 153 C 0.0020 -0.0210 -0.0087 3358 HIS 153 O 0.0018 -0.0176 -0.0136 3359 HIS 153 CB -0.0077 -0.0266 -0.0079 3360 HIS 153 CG -0.0062 -0.0291 -0.0034 3361 HIS 153 ND1 -0.0008 -0.0275 -0.0017 3362 HIS 153 CD2 -0.0095 -0.0331 -0.0002 3363 HIS 153 CE1 -0.0011 -0.0305 0.0023 3364 HIS 153 NE2 -0.0063 -0.0341 0.0035 3365 HIS 153 H -0.0077 -0.0217 -0.0147 3366 HIS 153 HA -0.0028 -0.0276 -0.0029 3367 HIS 153 HB3 -0.0077 -0.0239 -0.0116 3368 HIS 153 HB2 -0.0122 -0.0287 -0.0083 3369 HIS 153 HD1 0.0029 -0.0246 -0.0031 3370 HIS 153 HD2 -0.0140 -0.0354 -0.0002 3371 HIS 153 HE1 0.0025 -0.0302 0.0044 3372 ALA 155 N 0.0030 -0.0201 0.0008 3373 ALA 155 CA 0.0148 -0.0158 0.0024 3374 ALA 155 C 0.0127 -0.0221 -0.0126 3375 ALA 155 O -0.0029 -0.0290 -0.0177 3376 ALA 155 CB 0.0099 -0.0102 0.0214 3377 ALA 155 OXT 0.0266 -0.0190 -0.0162 3378 ALA 155 H -0.0103 -0.0226 0.0054 3379 ALA 155 HA 0.0292 -0.0116 0.0013 3380 ALA 155 HB1 0.0184 -0.0067 0.0235 3381 ALA 155 HB2 0.0119 -0.0056 0.0319 3382 ALA 155 HB3 -0.0043 -0.0140 0.0233 3383 ILE 150 N 0.0143 -0.0018 -0.0080 3384 ILE 150 CA 0.0151 -0.0005 -0.0073 3385 ILE 150 C 0.0169 -0.0006 -0.0082 3386 ILE 150 O 0.0171 -0.0015 -0.0092 3387 ILE 150 CB 0.0143 -0.0005 -0.0068 3388 ILE 150 CG1 0.0126 -0.0002 -0.0057 3389 ILE 150 CG2 0.0154 0.0006 -0.0063 3390 ILE 150 CD1 0.0116 -0.0004 -0.0053 3391 ILE 150 H 0.0140 -0.0026 -0.0086 3392 ILE 150 HA 0.0152 0.0004 -0.0064 3393 ILE 150 HB 0.0141 -0.0015 -0.0076 3394 ILE 150 HG13 0.0119 -0.0010 -0.0060 3395 ILE 150 HG12 0.0128 0.0008 -0.0049 3396 ILE 150 HG21 0.0165 0.0004 -0.0071 3397 ILE 150 HG22 0.0156 0.0016 -0.0056 3398 ILE 150 HG23 0.0147 0.0006 -0.0060 3399 ILE 150 HD11 0.0103 -0.0004 -0.0047 3400 ILE 150 HD12 0.0115 -0.0014 -0.0062 3401 ILE 150 HD13 0.0121 0.0004 -0.0048 3402 VAL 154 N 0.0086 -0.0192 -0.0079 3403 VAL 154 CA 0.0035 -0.0198 -0.0051 3404 VAL 154 C 0.0045 -0.0205 -0.0030 3405 VAL 154 O 0.0085 -0.0201 -0.0049 3406 VAL 154 CB -0.0015 -0.0185 -0.0091 3407 VAL 154 CG1 -0.0072 -0.0189 -0.0069 3408 VAL 154 CG2 -0.0024 -0.0178 -0.0111 3409 VAL 154 H 0.0093 -0.0181 -0.0115 3410 VAL 154 HA 0.0025 -0.0208 -0.0017 3411 VAL 154 HB -0.0004 -0.0174 -0.0127 3412 VAL 154 HG11 -0.0072 -0.0191 -0.0064 3413 VAL 154 HG12 -0.0083 -0.0200 -0.0031 3414 VAL 154 HG13 -0.0106 -0.0180 -0.0098 3415 VAL 154 HG21 0.0014 -0.0174 -0.0129 3416 VAL 154 HG22 -0.0057 -0.0168 -0.0142 3417 VAL 154 HG23 -0.0037 -0.0188 -0.0078 3418 ASN 40 N 0.0290 0.0189 0.0708 3419 ASN 40 CA 0.0140 0.0116 0.0589 3420 ASN 40 C 0.0178 0.0172 0.0384 3421 ASN 40 O 0.0230 0.0215 0.0313 3422 ASN 40 CB 0.0023 0.0039 0.0625 3423 ASN 40 CG -0.0063 -0.0041 0.0801 3424 ASN 40 OD1 -0.0077 -0.0062 0.0878 3425 ASN 40 ND2 -0.0126 -0.0090 0.0865 3426 ASN 40 H1 0.0268 0.0154 0.0842 3427 ASN 40 H2 0.0363 0.0236 0.0693 3428 ASN 40 HA 0.0083 0.0077 0.0617 3429 ASN 40 HB2 0.0088 0.0078 0.0630 3430 ASN 40 HB3 -0.0069 0.0001 0.0512 3431 ASN 40 HD22 -0.0183 -0.0143 0.0981 3432 ASN 40 HD21 -0.0112 -0.0072 0.0805 3433 ASP 65 N 0.0144 0.0124 0.0077 3434 ASP 65 CA 0.0120 0.0141 0.0079 3435 ASP 65 C 0.0097 0.0126 0.0069 3436 ASP 65 O 0.0078 0.0139 0.0070 3437 ASP 65 CB 0.0129 0.0165 0.0088 3438 ASP 65 CG 0.0149 0.0185 0.0099 3439 ASP 65 OD1 0.0147 0.0189 0.0100 3440 ASP 65 OD2 0.0162 0.0200 0.0107 3441 ASP 65 H 0.0164 0.0132 0.0084 3442 ASP 65 HA 0.0110 0.0151 0.0080 3443 ASP 65 HB2 0.0141 0.0156 0.0088 3444 ASP 65 HB3 0.0111 0.0177 0.0089