1 LYS 1 N 0.0120 0.0021 -0.0019 2 LYS 1 CA 0.0100 0.0035 -0.0017 3 LYS 1 C 0.0088 0.0044 -0.0051 4 LYS 1 O 0.0101 0.0035 -0.0075 5 LYS 1 CB 0.0114 0.0025 -0.0008 6 LYS 1 CG 0.0101 0.0035 -0.0011 7 LYS 1 CD 0.0118 0.0022 -0.0000 8 LYS 1 CE 0.0104 0.0032 -0.0004 9 LYS 1 NZ 0.0119 0.0021 0.0011 10 LYS 1 H1 0.0128 0.0015 0.0003 11 LYS 1 H2 0.0112 0.0027 -0.0027 12 LYS 1 H3 0.0134 0.0011 -0.0035 13 LYS 1 HA 0.0085 0.0046 0.0000 14 LYS 1 HB3 0.0132 0.0012 -0.0020 15 LYS 1 HB2 0.0121 0.0020 0.0017 16 LYS 1 HG3 0.0083 0.0048 0.0004 17 LYS 1 HG2 0.0095 0.0039 -0.0036 18 LYS 1 HD3 0.0136 0.0009 -0.0014 19 LYS 1 HD2 0.0123 0.0018 0.0025 20 LYS 1 HE3 0.0085 0.0046 0.0007 21 LYS 1 HE2 0.0102 0.0034 -0.0030 22 LYS 1 HZ1 0.0109 0.0029 0.0009 23 LYS 1 HZ2 0.0123 0.0018 0.0034 24 LYS 1 HZ3 0.0137 0.0009 -0.0001 25 VAL 2 N 0.0035 0.0036 -0.0073 26 VAL 2 CA 0.0026 0.0032 -0.0086 27 VAL 2 C 0.0039 0.0025 -0.0073 28 VAL 2 O 0.0045 0.0041 -0.0057 29 VAL 2 CB 0.0009 0.0054 -0.0096 30 VAL 2 CG1 -0.0000 0.0048 -0.0110 31 VAL 2 CG2 -0.0005 0.0061 -0.0109 32 VAL 2 H 0.0036 0.0052 -0.0061 33 VAL 2 HA 0.0022 0.0015 -0.0100 34 VAL 2 HB 0.0012 0.0071 -0.0082 35 VAL 2 HG11 -0.0013 0.0065 -0.0117 36 VAL 2 HG12 0.0009 0.0044 -0.0101 37 VAL 2 HG13 -0.0004 0.0032 -0.0124 38 VAL 2 HG21 -0.0017 0.0077 -0.0116 39 VAL 2 HG22 -0.0008 0.0044 -0.0122 40 VAL 2 HG23 0.0001 0.0066 -0.0098 41 PHE 3 N 0.0005 0.0021 -0.0025 42 PHE 3 CA 0.0006 0.0019 -0.0033 43 PHE 3 C -0.0011 0.0020 -0.0042 44 PHE 3 O -0.0020 0.0020 -0.0050 45 PHE 3 CB 0.0020 0.0014 -0.0047 46 PHE 3 CG 0.0038 0.0012 -0.0040 47 PHE 3 CD1 0.0047 0.0012 -0.0033 48 PHE 3 CD2 0.0047 0.0010 -0.0041 49 PHE 3 CE1 0.0064 0.0010 -0.0026 50 PHE 3 CE2 0.0064 0.0008 -0.0035 51 PHE 3 CZ 0.0073 0.0008 -0.0028 52 PHE 3 H 0.0011 0.0019 -0.0030 53 PHE 3 HA 0.0009 0.0020 -0.0023 54 PHE 3 HB3 0.0017 0.0012 -0.0056 55 PHE 3 HB2 0.0019 0.0012 -0.0055 56 PHE 3 HD1 0.0041 0.0013 -0.0032 57 PHE 3 HD2 0.0041 0.0010 -0.0047 58 PHE 3 HE1 0.0071 0.0010 -0.0020 59 PHE 3 HE2 0.0070 0.0007 -0.0035 60 PHE 3 HZ 0.0086 0.0007 -0.0024 61 GLU 4 N -0.0043 0.0007 -0.0092 62 GLU 4 CA -0.0076 0.0022 -0.0120 63 GLU 4 C -0.0055 0.0019 -0.0164 64 GLU 4 O -0.0020 0.0007 -0.0163 65 GLU 4 CB -0.0104 0.0029 -0.0099 66 GLU 4 CG -0.0126 0.0032 -0.0058 67 GLU 4 CD -0.0148 0.0036 -0.0032 68 GLU 4 OE1 -0.0180 0.0049 -0.0048 69 GLU 4 OE2 -0.0137 0.0028 0.0007 70 GLU 4 H -0.0034 0.0002 -0.0070 71 GLU 4 HA -0.0094 0.0029 -0.0127 72 GLU 4 HB3 -0.0127 0.0039 -0.0123 73 GLU 4 HB2 -0.0085 0.0022 -0.0092 74 GLU 4 HG3 -0.0103 0.0022 -0.0037 75 GLU 4 HG2 -0.0147 0.0040 -0.0065 76 ARG 5 N -0.0072 -0.0120 -0.0037 77 ARG 5 CA -0.0072 -0.0090 -0.0025 78 ARG 5 C -0.0092 -0.0065 -0.0052 79 ARG 5 O -0.0097 -0.0032 -0.0048 80 ARG 5 CB -0.0061 -0.0106 -0.0010 81 ARG 5 CG -0.0061 -0.0078 0.0003 82 ARG 5 CD -0.0048 -0.0098 0.0019 83 ARG 5 NE -0.0056 -0.0119 -0.0005 84 ARG 5 CZ -0.0067 -0.0107 -0.0022 85 ARG 5 NH1 -0.0073 -0.0073 -0.0018 86 ARG 5 NH2 -0.0072 -0.0131 -0.0042 87 ARG 5 H -0.0064 -0.0145 -0.0032 88 ARG 5 HA -0.0066 -0.0074 -0.0005 89 ARG 5 HB3 -0.0066 -0.0126 -0.0028 90 ARG 5 HB2 -0.0047 -0.0122 0.0010 91 ARG 5 HG3 -0.0056 -0.0058 0.0022 92 ARG 5 HG2 -0.0075 -0.0064 -0.0018 93 ARG 5 HD3 -0.0035 -0.0115 0.0037 94 ARG 5 HD2 -0.0045 -0.0078 0.0033 95 ARG 5 HE -0.0052 -0.0146 -0.0010 96 ARG 5 HH12 -0.0081 -0.0064 -0.0030 97 ARG 5 HH11 -0.0069 -0.0054 -0.0003 98 ARG 5 HH22 -0.0080 -0.0122 -0.0054 99 ARG 5 HH21 -0.0067 -0.0158 -0.0045 100 CYS 6 N -0.0051 -0.0068 -0.0062 101 CYS 6 CA -0.0038 -0.0064 -0.0080 102 CYS 6 C -0.0026 -0.0047 -0.0079 103 CYS 6 O -0.0014 -0.0040 -0.0090 104 CYS 6 CB -0.0041 -0.0078 -0.0095 105 CYS 6 SG -0.0053 -0.0097 -0.0101 106 CYS 6 H -0.0059 -0.0076 -0.0060 107 CYS 6 HA -0.0036 -0.0064 -0.0084 108 CYS 6 HB3 -0.0031 -0.0074 -0.0107 109 CYS 6 HB2 -0.0045 -0.0080 -0.0090 110 GLU 7 N 0.0025 -0.0045 -0.0100 111 GLU 7 CA 0.0035 -0.0023 -0.0099 112 GLU 7 C 0.0023 -0.0025 -0.0097 113 GLU 7 O 0.0036 -0.0022 -0.0099 114 GLU 7 CB 0.0027 0.0002 -0.0094 115 GLU 7 CG 0.0036 0.0026 -0.0092 116 GLU 7 CD 0.0025 0.0050 -0.0087 117 GLU 7 OE1 0.0004 0.0049 -0.0083 118 GLU 7 OE2 0.0035 0.0071 -0.0086 119 GLU 7 H 0.0016 -0.0041 -0.0098 120 GLU 7 HA 0.0056 -0.0024 -0.0103 121 GLU 7 HB3 0.0006 0.0002 -0.0090 122 GLU 7 HB2 0.0034 0.0002 -0.0095 123 GLU 7 HG3 0.0057 0.0027 -0.0096 124 GLU 7 HG2 0.0032 0.0024 -0.0092 125 LEU 8 N 0.0004 -0.0006 -0.0045 126 LEU 8 CA -0.0004 0.0004 -0.0036 127 LEU 8 C -0.0000 -0.0003 -0.0040 128 LEU 8 O 0.0000 0.0009 -0.0041 129 LEU 8 CB -0.0017 -0.0000 -0.0020 130 LEU 8 CG -0.0026 0.0010 -0.0010 131 LEU 8 CD1 -0.0025 0.0031 -0.0012 132 LEU 8 CD2 -0.0040 0.0004 0.0006 133 LEU 8 H 0.0001 -0.0016 -0.0041 134 LEU 8 HA -0.0003 0.0019 -0.0039 135 LEU 8 HB3 -0.0019 -0.0016 -0.0017 136 LEU 8 HB2 -0.0020 0.0004 -0.0017 137 LEU 8 HG -0.0024 0.0005 -0.0012 138 LEU 8 HD11 -0.0032 0.0038 -0.0005 139 LEU 8 HD12 -0.0016 0.0035 -0.0024 140 LEU 8 HD13 -0.0027 0.0037 -0.0010 141 LEU 8 HD21 -0.0046 0.0011 0.0014 142 LEU 8 HD22 -0.0042 0.0008 0.0009 143 LEU 8 HD23 -0.0040 -0.0011 0.0008 144 ALA 9 N 0.0001 -0.0018 -0.0025 145 ALA 9 CA 0.0003 -0.0019 -0.0028 146 ALA 9 C 0.0006 -0.0017 -0.0031 147 ALA 9 O 0.0008 -0.0015 -0.0032 148 ALA 9 CB 0.0001 -0.0024 -0.0030 149 ALA 9 H -0.0001 -0.0021 -0.0024 150 ALA 9 HA 0.0002 -0.0018 -0.0026 151 ALA 9 HB1 0.0002 -0.0024 -0.0032 152 ALA 9 HB2 -0.0001 -0.0025 -0.0028 153 ALA 9 HB3 0.0001 -0.0025 -0.0031 154 ARG 10 N 0.0021 -0.0042 -0.0060 155 ARG 10 CA 0.0020 -0.0042 -0.0059 156 ARG 10 C 0.0010 -0.0041 -0.0065 157 ARG 10 O 0.0005 -0.0044 -0.0061 158 ARG 10 CB 0.0031 -0.0038 -0.0062 159 ARG 10 CG 0.0042 -0.0040 -0.0054 160 ARG 10 CD 0.0052 -0.0036 -0.0058 161 ARG 10 NE 0.0056 -0.0030 -0.0067 162 ARG 10 CZ 0.0062 -0.0028 -0.0068 163 ARG 10 NH1 0.0067 -0.0031 -0.0060 164 ARG 10 NH2 0.0065 -0.0022 -0.0077 165 ARG 10 H 0.0027 -0.0038 -0.0063 166 ARG 10 HA 0.0020 -0.0047 -0.0051 167 ARG 10 HB3 0.0030 -0.0038 -0.0063 168 ARG 10 HB2 0.0033 -0.0033 -0.0069 169 ARG 10 HG3 0.0044 -0.0040 -0.0054 170 ARG 10 HG2 0.0040 -0.0045 -0.0047 171 ARG 10 HD3 0.0059 -0.0038 -0.0052 172 ARG 10 HD2 0.0049 -0.0036 -0.0058 173 ARG 10 HE 0.0053 -0.0027 -0.0073 174 ARG 10 HH12 0.0073 -0.0030 -0.0060 175 ARG 10 HH11 0.0066 -0.0036 -0.0053 176 ARG 10 HH22 0.0070 -0.0020 -0.0077 177 ARG 10 HH21 0.0062 -0.0019 -0.0083 178 THR 11 N 0.0053 -0.0070 -0.0021 179 THR 11 CA 0.0060 -0.0062 -0.0015 180 THR 11 C 0.0062 -0.0070 -0.0021 181 THR 11 O 0.0074 -0.0069 -0.0021 182 THR 11 CB 0.0048 -0.0051 -0.0005 183 THR 11 OG1 0.0048 -0.0044 0.0001 184 THR 11 CG2 0.0054 -0.0043 0.0001 185 THR 11 H 0.0042 -0.0068 -0.0019 186 THR 11 HA 0.0072 -0.0058 -0.0012 187 THR 11 HB 0.0036 -0.0055 -0.0008 188 THR 11 HG1 0.0041 -0.0047 -0.0002 189 THR 11 HG21 0.0046 -0.0035 0.0008 190 THR 11 HG22 0.0055 -0.0048 -0.0003 191 THR 11 HG23 0.0066 -0.0039 0.0004 192 LEU 12 N 0.0026 -0.0015 -0.0012 193 LEU 12 CA 0.0020 -0.0026 -0.0013 194 LEU 12 C 0.0035 -0.0040 -0.0018 195 LEU 12 O 0.0037 -0.0043 -0.0019 196 LEU 12 CB 0.0001 -0.0037 -0.0014 197 LEU 12 CG -0.0017 -0.0024 -0.0010 198 LEU 12 CD1 -0.0034 -0.0036 -0.0011 199 LEU 12 CD2 -0.0020 -0.0013 -0.0007 200 LEU 12 H 0.0019 -0.0016 -0.0011 201 LEU 12 HA 0.0017 -0.0017 -0.0011 202 LEU 12 HB3 -0.0002 -0.0047 -0.0016 203 LEU 12 HB2 0.0003 -0.0046 -0.0016 204 LEU 12 HG -0.0013 -0.0015 -0.0008 205 LEU 12 HD11 -0.0046 -0.0027 -0.0008 206 LEU 12 HD12 -0.0031 -0.0044 -0.0013 207 LEU 12 HD13 -0.0037 -0.0046 -0.0013 208 LEU 12 HD21 -0.0032 -0.0004 -0.0004 209 LEU 12 HD22 -0.0022 -0.0022 -0.0008 210 LEU 12 HD23 -0.0007 -0.0004 -0.0006 211 LYS 13 N 0.0117 -0.0141 -0.0058 212 LYS 13 CA 0.0058 -0.0086 -0.0045 213 LYS 13 C 0.0010 -0.0156 -0.0012 214 LYS 13 O 0.0008 -0.0144 -0.0014 215 LYS 13 CB -0.0013 -0.0016 -0.0031 216 LYS 13 CG -0.0075 0.0047 -0.0018 217 LYS 13 CD -0.0104 0.0148 -0.0026 218 LYS 13 CE -0.0149 0.0215 -0.0021 219 LYS 13 NZ -0.0158 0.0319 -0.0038 220 LYS 13 H 0.0101 -0.0134 -0.0053 221 LYS 13 HA 0.0103 -0.0043 -0.0072 222 LYS 13 HB3 -0.0057 -0.0057 -0.0005 223 LYS 13 HB2 0.0023 0.0033 -0.0055 224 LYS 13 HG3 -0.0037 0.0056 -0.0035 225 LYS 13 HG2 -0.0137 0.0008 0.0015 226 LYS 13 HD3 -0.0155 0.0140 -0.0004 227 LYS 13 HD2 -0.0043 0.0181 -0.0057 228 LYS 13 HE3 -0.0104 0.0211 -0.0039 229 LYS 13 HE2 -0.0218 0.0191 0.0011 230 LYS 13 HZ1 -0.0169 0.0318 -0.0033 231 LYS 13 HZ2 -0.0213 0.0356 -0.0023 232 LYS 13 HZ3 -0.0099 0.0352 -0.0068 233 ARG 14 N 0.0094 -0.0098 -0.0029 234 ARG 14 CA 0.0097 -0.0119 -0.0009 235 ARG 14 C 0.0146 -0.0132 -0.0005 236 ARG 14 O 0.0156 -0.0137 -0.0001 237 ARG 14 CB 0.0073 -0.0150 0.0027 238 ARG 14 CG 0.0021 -0.0142 0.0029 239 ARG 14 CD 0.0001 -0.0174 0.0065 240 ARG 14 NE 0.0011 -0.0197 0.0086 241 ARG 14 CZ -0.0013 -0.0197 0.0091 242 ARG 14 NH1 -0.0052 -0.0177 0.0077 243 ARG 14 NH2 0.0003 -0.0218 0.0109 244 ARG 14 H 0.0079 -0.0107 -0.0018 245 ARG 14 HA 0.0080 -0.0105 -0.0020 246 ARG 14 HB3 0.0086 -0.0170 0.0044 247 ARG 14 HB2 0.0080 -0.0157 0.0033 248 ARG 14 HG3 0.0005 -0.0130 0.0019 249 ARG 14 HG2 0.0014 -0.0126 0.0014 250 ARG 14 HD3 -0.0036 -0.0169 0.0066 251 ARG 14 HD2 0.0014 -0.0185 0.0073 252 ARG 14 HE 0.0040 -0.0214 0.0097 253 ARG 14 HH12 -0.0070 -0.0177 0.0081 254 ARG 14 HH11 -0.0062 -0.0161 0.0063 255 ARG 14 HH22 -0.0015 -0.0219 0.0113 256 ARG 14 HH21 0.0032 -0.0233 0.0118 257 LEU 15 N 0.0128 -0.0100 0.0012 258 LEU 15 CA 0.0133 -0.0092 0.0018 259 LEU 15 C 0.0136 -0.0147 -0.0027 260 LEU 15 O 0.0139 -0.0147 -0.0026 261 LEU 15 CB 0.0070 -0.0049 0.0048 262 LEU 15 CG 0.0077 0.0013 0.0099 263 LEU 15 CD1 0.0006 0.0050 0.0123 264 LEU 15 CD2 0.0142 0.0039 0.0126 265 LEU 15 H 0.0077 -0.0098 0.0009 266 LEU 15 HA 0.0185 -0.0072 0.0039 267 LEU 15 HB3 0.0064 -0.0052 0.0045 268 LEU 15 HB2 0.0017 -0.0064 0.0032 269 LEU 15 HG 0.0086 0.0014 0.0101 270 LEU 15 HD11 0.0013 0.0094 0.0160 271 LEU 15 HD12 -0.0041 0.0033 0.0106 272 LEU 15 HD13 -0.0005 0.0048 0.0121 273 LEU 15 HD21 0.0145 0.0084 0.0163 274 LEU 15 HD22 0.0135 0.0038 0.0124 275 LEU 15 HD23 0.0193 0.0016 0.0111 276 GLY 16 N 0.0112 -0.0116 -0.0064 277 GLY 16 CA 0.0115 -0.0182 -0.0095 278 GLY 16 C 0.0037 -0.0220 -0.0110 279 GLY 16 O 0.0033 -0.0264 -0.0131 280 GLY 16 H 0.0121 -0.0122 -0.0067 281 GLY 16 HA3 0.0149 -0.0169 -0.0091 282 GLY 16 HA2 0.0156 -0.0221 -0.0116 283 MET 17 N 0.0001 -0.0116 -0.0103 284 MET 17 CA -0.0030 -0.0130 -0.0104 285 MET 17 C -0.0034 -0.0162 -0.0120 286 MET 17 O -0.0057 -0.0176 -0.0123 287 MET 17 CB -0.0057 -0.0114 -0.0092 288 MET 17 CG -0.0057 -0.0083 -0.0076 289 MET 17 SD -0.0072 -0.0084 -0.0074 290 MET 17 CE -0.0112 -0.0072 -0.0061 291 MET 17 H 0.0003 -0.0105 -0.0098 292 MET 17 HA -0.0032 -0.0127 -0.0103 293 MET 17 HB3 -0.0079 -0.0126 -0.0094 294 MET 17 HB2 -0.0053 -0.0113 -0.0092 295 MET 17 HG3 -0.0072 -0.0071 -0.0067 296 MET 17 HG2 -0.0033 -0.0073 -0.0075 297 MET 17 HE1 -0.0125 -0.0072 -0.0058 298 MET 17 HE2 -0.0110 -0.0051 -0.0050 299 MET 17 HE3 -0.0125 -0.0088 -0.0066 300 ASP 18 N 0.0067 -0.0062 -0.0131 301 ASP 18 CA 0.0077 -0.0025 -0.0108 302 ASP 18 C 0.0061 -0.0038 -0.0093 303 ASP 18 O 0.0035 -0.0057 -0.0063 304 ASP 18 CB 0.0075 0.0003 -0.0071 305 ASP 18 CG 0.0091 0.0045 -0.0052 306 ASP 18 OD1 0.0112 0.0062 -0.0075 307 ASP 18 OD2 0.0083 0.0064 -0.0016 308 ASP 18 H 0.0055 -0.0071 -0.0118 309 ASP 18 HA 0.0100 -0.0006 -0.0131 310 ASP 18 HB3 0.0051 -0.0014 -0.0045 311 ASP 18 HB2 0.0083 0.0007 -0.0082 312 GLY 19 N 0.0045 -0.0081 -0.0073 313 GLY 19 CA -0.0029 -0.0122 0.0001 314 GLY 19 C -0.0144 -0.0094 -0.0026 315 GLY 19 O -0.0213 -0.0125 0.0031 316 GLY 19 H 0.0059 -0.0077 -0.0081 317 GLY 19 HA3 0.0002 -0.0146 0.0032 318 GLY 19 HA2 -0.0030 -0.0158 0.0055 319 TYR 20 N -0.0165 -0.0156 -0.0140 320 TYR 20 CA -0.0182 -0.0139 -0.0140 321 TYR 20 C -0.0170 -0.0125 -0.0104 322 TYR 20 O -0.0144 -0.0141 -0.0090 323 TYR 20 CB -0.0178 -0.0160 -0.0164 324 TYR 20 CG -0.0199 -0.0143 -0.0168 325 TYR 20 CD1 -0.0228 -0.0131 -0.0191 326 TYR 20 CD2 -0.0190 -0.0138 -0.0149 327 TYR 20 CE1 -0.0247 -0.0115 -0.0195 328 TYR 20 CE2 -0.0209 -0.0122 -0.0152 329 TYR 20 CZ -0.0238 -0.0110 -0.0175 330 TYR 20 OH -0.0258 -0.0094 -0.0178 331 TYR 20 H -0.0152 -0.0177 -0.0153 332 TYR 20 HA -0.0206 -0.0122 -0.0148 333 TYR 20 HB3 -0.0155 -0.0174 -0.0154 334 TYR 20 HB2 -0.0182 -0.0172 -0.0188 335 TYR 20 HD1 -0.0236 -0.0134 -0.0207 336 TYR 20 HD2 -0.0167 -0.0147 -0.0131 337 TYR 20 HE1 -0.0270 -0.0108 -0.0214 338 TYR 20 HE2 -0.0202 -0.0118 -0.0136 339 TYR 20 HH -0.0276 -0.0089 -0.0196 340 ARG 21 N -0.0300 -0.0037 -0.0098 341 ARG 21 CA -0.0245 -0.0008 -0.0122 342 ARG 21 C -0.0242 0.0047 -0.0140 343 ARG 21 O -0.0196 0.0063 -0.0158 344 ARG 21 CB -0.0189 -0.0052 -0.0125 345 ARG 21 CG -0.0183 -0.0096 -0.0113 346 ARG 21 CD -0.0138 -0.0076 -0.0132 347 ARG 21 NE -0.0078 -0.0078 -0.0148 348 ARG 21 CZ -0.0037 -0.0041 -0.0170 349 ARG 21 NH1 -0.0040 -0.0016 -0.0177 350 ARG 21 NH2 0.0006 -0.0030 -0.0186 351 ARG 21 H -0.0324 -0.0045 -0.0089 352 ARG 21 HA -0.0246 0.0008 -0.0127 353 ARG 21 HB3 -0.0149 -0.0027 -0.0143 354 ARG 21 HB2 -0.0192 -0.0076 -0.0117 355 ARG 21 HG3 -0.0168 -0.0140 -0.0104 356 ARG 21 HG2 -0.0226 -0.0099 -0.0100 357 ARG 21 HD3 -0.0137 -0.0107 -0.0123 358 ARG 21 HD2 -0.0152 -0.0031 -0.0142 359 ARG 21 HE -0.0069 -0.0109 -0.0141 360 ARG 21 HH12 -0.0009 0.0012 -0.0195 361 ARG 21 HH11 -0.0073 -0.0024 -0.0166 362 ARG 21 HH22 0.0038 -0.0002 -0.0203 363 ARG 21 HH21 0.0008 -0.0050 -0.0181 364 GLY 22 N -0.0232 0.0074 0.0142 365 GLY 22 CA -0.0170 -0.0106 0.0236 366 GLY 22 C -0.0085 -0.0391 0.0286 367 GLY 22 O -0.0029 -0.0542 0.0387 368 GLY 22 H -0.0270 0.0106 -0.0062 369 GLY 22 HA3 -0.0167 -0.0019 0.0421 370 GLY 22 HA2 -0.0190 -0.0107 0.0092 371 ILE 23 N -0.0006 -0.0097 0.0007 372 ILE 23 CA 0.0014 -0.0081 -0.0010 373 ILE 23 C 0.0033 -0.0069 -0.0003 374 ILE 23 O 0.0029 -0.0071 -0.0007 375 ILE 23 CB 0.0006 -0.0082 -0.0042 376 ILE 23 CG1 -0.0014 -0.0095 -0.0050 377 ILE 23 CG2 0.0027 -0.0066 -0.0060 378 ILE 23 CD1 -0.0027 -0.0100 -0.0080 379 ILE 23 H -0.0018 -0.0104 0.0000 380 ILE 23 HA 0.0022 -0.0077 -0.0006 381 ILE 23 HB -0.0001 -0.0086 -0.0047 382 ILE 23 HG13 -0.0027 -0.0106 -0.0034 383 ILE 23 HG12 -0.0007 -0.0090 -0.0050 384 ILE 23 HG21 0.0021 -0.0066 -0.0083 385 ILE 23 HG22 0.0040 -0.0057 -0.0055 386 ILE 23 HG23 0.0035 -0.0061 -0.0055 387 ILE 23 HD11 -0.0041 -0.0108 -0.0085 388 ILE 23 HD12 -0.0035 -0.0105 -0.0080 389 ILE 23 HD13 -0.0014 -0.0089 -0.0096 390 SER 24 N 0.0092 -0.0046 0.0029 391 SER 24 CA 0.0132 -0.0029 0.0037 392 SER 24 C 0.0143 0.0003 0.0005 393 SER 24 O 0.0126 0.0016 -0.0025 394 SER 24 CB 0.0157 -0.0030 0.0058 395 SER 24 OG 0.0154 -0.0016 0.0037 396 SER 24 H 0.0085 -0.0053 0.0033 397 SER 24 HA 0.0138 -0.0037 0.0053 398 SER 24 HB3 0.0148 -0.0053 0.0081 399 SER 24 HB2 0.0187 -0.0019 0.0067 400 SER 24 HG 0.0173 -0.0012 0.0048 401 LEU 25 N 0.0081 0.0053 -0.0002 402 LEU 25 CA 0.0084 0.0044 -0.0009 403 LEU 25 C 0.0098 0.0046 -0.0011 404 LEU 25 O 0.0104 0.0038 -0.0018 405 LEU 25 CB 0.0075 0.0043 -0.0007 406 LEU 25 CG 0.0075 0.0034 -0.0013 407 LEU 25 CD1 0.0072 0.0023 -0.0020 408 LEU 25 CD2 0.0065 0.0034 -0.0010 409 LEU 25 H 0.0074 0.0057 0.0003 410 LEU 25 HA 0.0082 0.0037 -0.0013 411 LEU 25 HB3 0.0077 0.0051 -0.0002 412 LEU 25 HB2 0.0066 0.0044 -0.0004 413 LEU 25 HG 0.0084 0.0034 -0.0016 414 LEU 25 HD11 0.0072 0.0017 -0.0024 415 LEU 25 HD12 0.0079 0.0023 -0.0022 416 LEU 25 HD13 0.0063 0.0023 -0.0018 417 LEU 25 HD21 0.0065 0.0027 -0.0015 418 LEU 25 HD22 0.0056 0.0034 -0.0008 419 LEU 25 HD23 0.0068 0.0042 -0.0006 420 ALA 26 N 0.0103 0.0065 0.0036 421 ALA 26 CA 0.0086 0.0060 0.0040 422 ALA 26 C 0.0074 0.0065 0.0048 423 ALA 26 O 0.0062 0.0069 0.0056 424 ALA 26 CB 0.0081 0.0044 0.0031 425 ALA 26 H 0.0110 0.0057 0.0029 426 ALA 26 HA 0.0085 0.0066 0.0045 427 ALA 26 HB1 0.0068 0.0041 0.0035 428 ALA 26 HB2 0.0089 0.0041 0.0026 429 ALA 26 HB3 0.0082 0.0037 0.0027 430 ASN 27 N 0.0090 0.0073 0.0018 431 ASN 27 CA 0.0077 0.0073 0.0012 432 ASN 27 C 0.0077 0.0090 0.0021 433 ASN 27 O 0.0062 0.0099 0.0019 434 ASN 27 CB 0.0080 0.0054 0.0003 435 ASN 27 CG 0.0069 0.0041 -0.0009 436 ASN 27 OD1 0.0051 0.0044 -0.0015 437 ASN 27 ND2 0.0080 0.0026 -0.0012 438 ASN 27 H 0.0102 0.0063 0.0017 439 ASN 27 HA 0.0062 0.0076 0.0007 440 ASN 27 HB3 0.0076 0.0056 0.0002 441 ASN 27 HB2 0.0096 0.0048 0.0007 442 ASN 27 HD22 0.0074 0.0016 -0.0020 443 ASN 27 HD21 0.0095 0.0024 -0.0007 444 TRP 28 N -0.0005 0.0008 -0.0021 445 TRP 28 CA -0.0008 0.0023 -0.0034 446 TRP 28 C 0.0002 0.0050 -0.0043 447 TRP 28 O -0.0008 0.0063 -0.0061 448 TRP 28 CB -0.0000 0.0019 -0.0024 449 TRP 28 CG -0.0012 -0.0005 -0.0019 450 TRP 28 CD1 -0.0004 -0.0022 0.0000 451 TRP 28 CD2 -0.0033 -0.0013 -0.0032 452 TRP 28 NE1 -0.0019 -0.0041 -0.0001 453 TRP 28 CE2 -0.0037 -0.0036 -0.0020 454 TRP 28 CE3 -0.0049 -0.0003 -0.0052 455 TRP 28 CZ2 -0.0056 -0.0048 -0.0028 456 TRP 28 CZ3 -0.0068 -0.0016 -0.0061 457 TRP 28 CH2 -0.0071 -0.0038 -0.0049 458 TRP 28 H 0.0005 -0.0001 -0.0006 459 TRP 28 HA -0.0026 0.0018 -0.0046 460 TRP 28 HB3 0.0000 0.0033 -0.0033 461 TRP 28 HB2 0.0017 0.0022 -0.0011 462 TRP 28 HD1 0.0012 -0.0020 0.0013 463 TRP 28 HE1 -0.0016 -0.0055 0.0012 464 TRP 28 HE3 -0.0046 0.0014 -0.0061 465 TRP 28 HZ2 -0.0059 -0.0066 -0.0019 466 TRP 28 HZ3 -0.0080 -0.0008 -0.0076 467 TRP 28 HH2 -0.0087 -0.0047 -0.0056 468 MET 29 N 0.0021 0.0075 0.0059 469 MET 29 CA 0.0014 0.0056 0.0064 470 MET 29 C 0.0013 0.0047 0.0083 471 MET 29 O 0.0011 0.0038 0.0095 472 MET 29 CB 0.0007 0.0043 0.0046 473 MET 29 CG 0.0007 0.0049 0.0027 474 MET 29 SD 0.0006 0.0045 0.0031 475 MET 29 CE -0.0003 0.0020 0.0035 476 MET 29 H 0.0020 0.0077 0.0047 477 MET 29 HA 0.0015 0.0058 0.0066 478 MET 29 HB3 0.0002 0.0029 0.0051 479 MET 29 HB2 0.0007 0.0043 0.0042 480 MET 29 HG3 0.0003 0.0040 0.0015 481 MET 29 HG2 0.0012 0.0064 0.0023 482 MET 29 HE1 -0.0004 0.0015 0.0038 483 MET 29 HE2 -0.0007 0.0013 0.0022 484 MET 29 HE3 -0.0003 0.0016 0.0048 485 CYS 30 N 0.0009 0.0094 0.0090 486 CYS 30 CA -0.0002 0.0092 0.0092 487 CYS 30 C 0.0003 0.0097 0.0105 488 CYS 30 O -0.0007 0.0098 0.0115 489 CYS 30 CB -0.0003 0.0087 0.0077 490 CYS 30 SG -0.0018 0.0083 0.0078 491 CYS 30 H 0.0015 0.0093 0.0079 492 CYS 30 HA -0.0013 0.0090 0.0096 493 CYS 30 HB3 0.0008 0.0089 0.0074 494 CYS 30 HB2 -0.0005 0.0083 0.0068 495 LEU 31 N -0.0039 0.0102 0.0057 496 LEU 31 CA -0.0042 0.0103 0.0055 497 LEU 31 C -0.0041 0.0106 0.0053 498 LEU 31 O -0.0043 0.0108 0.0051 499 LEU 31 CB -0.0043 0.0101 0.0055 500 LEU 31 CG -0.0046 0.0101 0.0053 501 LEU 31 CD1 -0.0049 0.0100 0.0052 502 LEU 31 CD2 -0.0046 0.0100 0.0054 503 LEU 31 H -0.0038 0.0100 0.0058 504 LEU 31 HA -0.0044 0.0102 0.0054 505 LEU 31 HB3 -0.0041 0.0101 0.0057 506 LEU 31 HB2 -0.0043 0.0098 0.0057 507 LEU 31 HG -0.0045 0.0104 0.0052 508 LEU 31 HD11 -0.0051 0.0101 0.0051 509 LEU 31 HD12 -0.0048 0.0102 0.0051 510 LEU 31 HD13 -0.0049 0.0098 0.0053 511 LEU 31 HD21 -0.0048 0.0100 0.0053 512 LEU 31 HD22 -0.0047 0.0097 0.0055 513 LEU 31 HD23 -0.0044 0.0100 0.0055 514 ALA 32 N -0.0062 0.0073 0.0087 515 ALA 32 CA -0.0060 0.0066 0.0072 516 ALA 32 C -0.0045 0.0054 0.0072 517 ALA 32 O -0.0041 0.0049 0.0065 518 ALA 32 CB -0.0067 0.0066 0.0057 519 ALA 32 H -0.0067 0.0076 0.0087 520 ALA 32 HA -0.0065 0.0069 0.0070 521 ALA 32 HB1 -0.0065 0.0060 0.0046 522 ALA 32 HB2 -0.0078 0.0074 0.0057 523 ALA 32 HB3 -0.0062 0.0063 0.0059 524 LYS 33 N -0.0040 0.0063 0.0134 525 LYS 33 CA -0.0003 0.0044 0.0132 526 LYS 33 C 0.0007 0.0042 0.0144 527 LYS 33 O 0.0024 0.0030 0.0125 528 LYS 33 CB 0.0018 0.0040 0.0158 529 LYS 33 CG 0.0057 0.0019 0.0148 530 LYS 33 CD 0.0080 0.0013 0.0173 531 LYS 33 CE 0.0116 -0.0007 0.0160 532 LYS 33 NZ 0.0126 -0.0017 0.0136 533 LYS 33 H -0.0048 0.0070 0.0150 534 LYS 33 HA 0.0003 0.0035 0.0103 535 LYS 33 HB3 0.0017 0.0047 0.0187 536 LYS 33 HB2 0.0007 0.0044 0.0153 537 LYS 33 HG3 0.0066 0.0015 0.0148 538 LYS 33 HG2 0.0058 0.0012 0.0119 539 LYS 33 HD3 0.0069 0.0020 0.0177 540 LYS 33 HD2 0.0083 0.0018 0.0201 541 LYS 33 HE3 0.0117 -0.0011 0.0144 542 LYS 33 HE2 0.0135 -0.0011 0.0185 543 LYS 33 HZ1 0.0114 -0.0017 0.0110 544 LYS 33 HZ2 0.0119 -0.0011 0.0148 545 LYS 33 HZ3 0.0152 -0.0030 0.0135 546 TRP 34 N -0.0034 0.0004 0.0105 547 TRP 34 CA -0.0016 0.0004 0.0084 548 TRP 34 C -0.0027 -0.0018 0.0057 549 TRP 34 O -0.0010 -0.0020 0.0034 550 TRP 34 CB -0.0010 0.0019 0.0103 551 TRP 34 CG 0.0008 0.0043 0.0123 552 TRP 34 CD1 -0.0000 0.0054 0.0154 553 TRP 34 CD2 0.0038 0.0057 0.0113 554 TRP 34 NE1 0.0022 0.0075 0.0165 555 TRP 34 CE2 0.0046 0.0078 0.0140 556 TRP 34 CE3 0.0059 0.0055 0.0085 557 TRP 34 CZ2 0.0074 0.0096 0.0139 558 TRP 34 CZ3 0.0087 0.0074 0.0084 559 TRP 34 CH2 0.0094 0.0093 0.0111 560 TRP 34 H -0.0048 0.0005 0.0125 561 TRP 34 HA 0.0005 0.0013 0.0075 562 TRP 34 HB3 0.0002 0.0018 0.0087 563 TRP 34 HB2 -0.0030 0.0013 0.0117 564 TRP 34 HD1 -0.0023 0.0046 0.0167 565 TRP 34 HE1 0.0019 0.0086 0.0187 566 TRP 34 HE3 0.0054 0.0040 0.0064 567 TRP 34 HZ2 0.0079 0.0111 0.0160 568 TRP 34 HZ3 0.0104 0.0073 0.0063 569 TRP 34 HH2 0.0116 0.0107 0.0109 570 GLU 35 N -0.0042 0.0073 0.0052 571 GLU 35 CA -0.0040 0.0066 0.0050 572 GLU 35 C -0.0040 0.0049 0.0043 573 GLU 35 O -0.0030 0.0041 0.0043 574 GLU 35 CB -0.0053 0.0073 0.0048 575 GLU 35 CG -0.0052 0.0089 0.0055 576 GLU 35 CD -0.0038 0.0091 0.0062 577 GLU 35 OE1 -0.0030 0.0080 0.0060 578 GLU 35 OE2 -0.0036 0.0105 0.0069 579 GLU 35 H -0.0052 0.0078 0.0050 580 GLU 35 HA -0.0029 0.0068 0.0055 581 GLU 35 HB3 -0.0053 0.0066 0.0045 582 GLU 35 HB2 -0.0064 0.0073 0.0043 583 GLU 35 HG3 -0.0063 0.0094 0.0053 584 GLU 35 HG2 -0.0051 0.0096 0.0059 585 SER 36 N -0.0041 0.0013 0.0009 586 SER 36 CA -0.0038 0.0001 -0.0016 587 SER 36 C -0.0020 -0.0002 -0.0021 588 SER 36 O -0.0016 -0.0012 -0.0043 589 SER 36 CB -0.0066 -0.0002 -0.0027 590 SER 36 OG -0.0076 0.0003 -0.0017 591 SER 36 H -0.0043 0.0018 0.0022 592 SER 36 HA -0.0030 -0.0004 -0.0026 593 SER 36 HB3 -0.0080 0.0001 -0.0023 594 SER 36 HB2 -0.0065 -0.0011 -0.0048 595 SER 36 HG -0.0089 0.0010 -0.0004 596 GLY 37 N -0.0002 0.0024 0.0007 597 GLY 37 CA 0.0029 0.0020 -0.0001 598 GLY 37 C -0.0000 0.0014 -0.0021 599 GLY 37 O 0.0019 0.0005 -0.0047 600 GLY 37 H -0.0008 0.0035 0.0040 601 GLY 37 HA3 0.0059 0.0011 -0.0024 602 GLY 37 HA2 0.0046 0.0031 0.0033 603 TYR 38 N -0.0021 0.0002 0.0008 604 TYR 38 CA -0.0036 0.0007 -0.0015 605 TYR 38 C -0.0042 0.0003 -0.0043 606 TYR 38 O -0.0046 0.0000 -0.0067 607 TYR 38 CB -0.0024 -0.0002 -0.0020 608 TYR 38 CG -0.0015 -0.0001 0.0007 609 TYR 38 CD1 -0.0029 0.0013 0.0030 610 TYR 38 CD2 0.0009 -0.0016 0.0008 611 TYR 38 CE1 -0.0021 0.0014 0.0054 612 TYR 38 CE2 0.0017 -0.0015 0.0032 613 TYR 38 CZ 0.0002 -0.0001 0.0055 614 TYR 38 OH 0.0010 0.0000 0.0079 615 TYR 38 H -0.0029 0.0012 0.0025 616 TYR 38 HA -0.0054 0.0020 -0.0006 617 TYR 38 HB3 -0.0037 0.0003 -0.0035 618 TYR 38 HB2 -0.0008 -0.0015 -0.0033 619 TYR 38 HD1 -0.0047 0.0025 0.0030 620 TYR 38 HD2 0.0020 -0.0027 -0.0010 621 TYR 38 HE1 -0.0032 0.0025 0.0072 622 TYR 38 HE2 0.0034 -0.0026 0.0032 623 TYR 38 HH -0.0001 0.0011 0.0093 624 ASN 39 N -0.0017 -0.0023 -0.0084 625 ASN 39 CA -0.0019 -0.0028 -0.0099 626 ASN 39 C -0.0033 -0.0040 -0.0104 627 ASN 39 O -0.0036 -0.0044 -0.0108 628 ASN 39 CB -0.0008 -0.0022 -0.0113 629 ASN 39 CG -0.0009 -0.0027 -0.0130 630 ASN 39 OD1 -0.0016 -0.0033 -0.0131 631 ASN 39 ND2 -0.0001 -0.0023 -0.0143 632 ASN 39 H -0.0017 -0.0023 -0.0085 633 ASN 39 HA -0.0018 -0.0026 -0.0096 634 ASN 39 HB3 -0.0009 -0.0023 -0.0115 635 ASN 39 HB2 0.0001 -0.0013 -0.0110 636 ASN 39 HD22 -0.0001 -0.0026 -0.0155 637 ASN 39 HD21 0.0004 -0.0018 -0.0142 638 THR 40 N 0.0044 -0.0014 -0.0064 639 THR 40 CA 0.0047 -0.0027 -0.0063 640 THR 40 C 0.0042 -0.0025 -0.0072 641 THR 40 O 0.0043 -0.0037 -0.0075 642 THR 40 CB 0.0057 -0.0031 -0.0047 643 THR 40 OG1 0.0057 -0.0017 -0.0039 644 THR 40 CG2 0.0063 -0.0035 -0.0037 645 THR 40 H 0.0047 -0.0007 -0.0054 646 THR 40 HA 0.0047 -0.0039 -0.0068 647 THR 40 HB 0.0059 -0.0042 -0.0048 648 THR 40 HG1 0.0062 -0.0021 -0.0033 649 THR 40 HG21 0.0069 -0.0037 -0.0026 650 THR 40 HG22 0.0062 -0.0046 -0.0043 651 THR 40 HG23 0.0061 -0.0024 -0.0036 652 ARG 41 N 0.0086 -0.0086 -0.0075 653 ARG 41 CA 0.0087 -0.0088 -0.0080 654 ARG 41 C 0.0076 -0.0086 -0.0142 655 ARG 41 O 0.0077 -0.0089 -0.0152 656 ARG 41 CB 0.0058 -0.0043 -0.0045 657 ARG 41 CG 0.0067 -0.0049 -0.0017 658 ARG 41 CD 0.0036 -0.0003 0.0010 659 ARG 41 NE 0.0026 0.0006 -0.0013 660 ARG 41 CZ 0.0044 -0.0016 -0.0003 661 ARG 41 NH1 0.0064 -0.0033 0.0048 662 ARG 41 NH2 0.0042 -0.0022 -0.0042 663 ARG 41 H 0.0063 -0.0054 -0.0068 664 ARG 41 HA 0.0113 -0.0119 -0.0063 665 ARG 41 HB3 0.0033 -0.0015 -0.0073 666 ARG 41 HB2 0.0054 -0.0031 -0.0012 667 ARG 41 HG3 0.0090 -0.0073 0.0016 668 ARG 41 HG2 0.0074 -0.0065 -0.0049 669 ARG 41 HD3 0.0014 0.0025 0.0001 670 ARG 41 HD2 0.0044 -0.0004 0.0056 671 ARG 41 HE 0.0002 0.0032 -0.0040 672 ARG 41 HH12 0.0078 -0.0050 0.0055 673 ARG 41 HH11 0.0066 -0.0029 0.0079 674 ARG 41 HH22 0.0056 -0.0039 -0.0034 675 ARG 41 HH21 0.0027 -0.0009 -0.0081 676 ALA 42 N -0.0059 -0.0104 -0.0066 677 ALA 42 CA -0.0067 -0.0109 -0.0054 678 ALA 42 C -0.0062 -0.0094 -0.0042 679 ALA 42 O -0.0053 -0.0082 -0.0050 680 ALA 42 CB -0.0069 -0.0121 -0.0065 681 ALA 42 H -0.0056 -0.0108 -0.0080 682 ALA 42 HA -0.0074 -0.0116 -0.0044 683 ALA 42 HB1 -0.0075 -0.0125 -0.0055 684 ALA 42 HB2 -0.0073 -0.0133 -0.0072 685 ALA 42 HB3 -0.0062 -0.0115 -0.0075 686 THR 43 N -0.0252 -0.0143 0.0066 687 THR 43 CA -0.0207 -0.0105 0.0100 688 THR 43 C -0.0267 -0.0133 0.0122 689 THR 43 O -0.0337 -0.0166 0.0152 690 THR 43 CB -0.0176 -0.0058 0.0186 691 THR 43 OG1 -0.0244 -0.0078 0.0251 692 THR 43 CG2 -0.0116 -0.0027 0.0171 693 THR 43 H -0.0309 -0.0167 0.0096 694 THR 43 HA -0.0157 -0.0092 0.0049 695 THR 43 HB -0.0146 -0.0033 0.0210 696 THR 43 HG1 -0.0280 -0.0097 0.0260 697 THR 43 HG21 -0.0095 0.0006 0.0234 698 THR 43 HG22 -0.0065 -0.0013 0.0121 699 THR 43 HG23 -0.0146 -0.0053 0.0149 700 ASN 44 N -0.0109 -0.0089 0.0057 701 ASN 44 CA -0.0028 -0.0061 0.0049 702 ASN 44 C 0.0061 -0.0072 0.0053 703 ASN 44 O 0.0071 -0.0033 0.0040 704 ASN 44 CB -0.0041 0.0039 0.0017 705 ASN 44 CG 0.0041 0.0079 0.0005 706 ASN 44 OD1 0.0070 0.0042 0.0017 707 ASN 44 ND2 0.0079 0.0154 -0.0018 708 ASN 44 H -0.0111 -0.0074 0.0052 709 ASN 44 HA -0.0024 -0.0102 0.0062 710 ASN 44 HB3 -0.0053 0.0078 0.0005 711 ASN 44 HB2 -0.0104 0.0047 0.0014 712 ASN 44 HD22 0.0135 0.0184 -0.0027 713 ASN 44 HD21 0.0053 0.0182 -0.0027 714 TYR 45 N 0.0238 -0.0041 0.0046 715 TYR 45 CA 0.0194 -0.0018 0.0059 716 TYR 45 C 0.0219 -0.0006 0.0147 717 TYR 45 O 0.0289 -0.0032 0.0169 718 TYR 45 CB 0.0206 -0.0040 -0.0007 719 TYR 45 CG 0.0163 -0.0019 0.0002 720 TYR 45 CD1 0.0081 0.0016 -0.0003 721 TYR 45 CD2 0.0206 -0.0034 0.0015 722 TYR 45 CE1 0.0042 0.0036 0.0007 723 TYR 45 CE2 0.0165 -0.0014 0.0025 724 TYR 45 CZ 0.0085 0.0020 0.0019 725 TYR 45 OH 0.0045 0.0041 0.0029 726 TYR 45 H 0.0288 -0.0070 0.0019 727 TYR 45 HA 0.0131 0.0009 0.0055 728 TYR 45 HB3 0.0269 -0.0069 -0.0007 729 TYR 45 HB2 0.0189 -0.0049 -0.0070 730 TYR 45 HD1 0.0046 0.0029 -0.0015 731 TYR 45 HD2 0.0270 -0.0062 0.0019 732 TYR 45 HE1 -0.0022 0.0064 0.0005 733 TYR 45 HE2 0.0198 -0.0025 0.0036 734 TYR 45 HH -0.0008 0.0068 0.0043 735 ASN 46 N 0.0311 -0.0037 -0.0063 736 ASN 46 CA 0.0347 -0.0005 -0.0014 737 ASN 46 C 0.0355 -0.0027 -0.0048 738 ASN 46 O 0.0300 -0.0031 -0.0055 739 ASN 46 CB 0.0290 0.0036 0.0044 740 ASN 46 CG 0.0278 0.0058 0.0077 741 ASN 46 OD1 0.0332 0.0075 0.0103 742 ASN 46 ND2 0.0205 0.0056 0.0073 743 ASN 46 H 0.0252 -0.0042 -0.0072 744 ASN 46 HA 0.0404 0.0005 0.0002 745 ASN 46 HB3 0.0315 0.0060 0.0080 746 ASN 46 HB2 0.0233 0.0025 0.0028 747 ASN 46 HD22 0.0194 0.0071 0.0094 748 ASN 46 HD21 0.0161 0.0041 0.0049 749 ALA 47 N 0.0040 0.0145 -0.0230 750 ALA 47 CA 0.0323 0.0029 -0.0028 751 ALA 47 C 0.0754 0.0059 -0.0384 752 ALA 47 O 0.1157 -0.0065 -0.0227 753 ALA 47 CB -0.0056 0.0069 0.0071 754 ALA 47 H -0.0339 0.0228 -0.0271 755 ALA 47 HA 0.0479 -0.0109 0.0323 756 ALA 47 HB1 0.0146 -0.0015 0.0221 757 ALA 47 HB2 -0.0361 0.0044 0.0337 758 ALA 47 HB3 -0.0221 0.0208 -0.0277 759 GLY 48 N -0.0091 0.0218 -0.0070 760 GLY 48 CA -0.0108 -0.0029 -0.0319 761 GLY 48 C 0.0718 0.0204 -0.0367 762 GLY 48 O 0.0698 0.0358 -0.0200 763 GLY 48 H -0.0162 -0.0092 -0.0366 764 GLY 48 HA3 -0.0273 -0.0554 -0.0805 765 GLY 48 HA2 -0.0648 0.0091 -0.0006 766 ASP 49 N -0.0050 -0.0065 -0.0006 767 ASP 49 CA -0.0088 -0.0064 -0.0003 768 ASP 49 C -0.0084 -0.0035 -0.0044 769 ASP 49 O -0.0113 -0.0032 -0.0045 770 ASP 49 CB -0.0083 -0.0098 0.0041 771 ASP 49 CG -0.0033 -0.0103 0.0045 772 ASP 49 OD1 0.0003 -0.0083 0.0014 773 ASP 49 OD2 -0.0032 -0.0128 0.0077 774 ASP 49 H -0.0008 -0.0066 -0.0007 775 ASP 49 HA -0.0131 -0.0062 -0.0003 776 ASP 49 HB3 -0.0083 -0.0118 0.0069 777 ASP 49 HB2 -0.0121 -0.0101 0.0049 778 ARG 50 N -0.0044 0.0049 0.0008 779 ARG 50 CA -0.0044 0.0050 0.0007 780 ARG 50 C -0.0043 0.0050 0.0009 781 ARG 50 O -0.0044 0.0049 0.0008 782 ARG 50 CB -0.0046 0.0049 0.0005 783 ARG 50 CG -0.0046 0.0050 0.0003 784 ARG 50 CD -0.0048 0.0049 0.0001 785 ARG 50 NE -0.0049 0.0049 0.0001 786 ARG 50 CZ -0.0051 0.0048 -0.0001 787 ARG 50 NH1 -0.0051 0.0049 -0.0003 788 ARG 50 NH2 -0.0052 0.0047 -0.0000 789 ARG 50 H -0.0043 0.0050 0.0008 790 ARG 50 HA -0.0043 0.0051 0.0006 791 ARG 50 HB3 -0.0046 0.0049 0.0005 792 ARG 50 HB2 -0.0047 0.0048 0.0006 793 ARG 50 HG3 -0.0046 0.0050 0.0003 794 ARG 50 HG2 -0.0045 0.0051 0.0002 795 ARG 50 HD3 -0.0048 0.0050 -0.0001 796 ARG 50 HD2 -0.0049 0.0048 0.0002 797 ARG 50 HE -0.0049 0.0049 0.0002 798 ARG 50 HH12 -0.0053 0.0049 -0.0004 799 ARG 50 HH11 -0.0050 0.0050 -0.0003 800 ARG 50 HH22 -0.0054 0.0047 -0.0002 801 ARG 50 HH21 -0.0052 0.0047 0.0001 802 SER 51 N -0.0107 -0.0017 0.0011 803 SER 51 CA -0.0114 -0.0016 0.0010 804 SER 51 C -0.0109 -0.0019 0.0007 805 SER 51 O -0.0101 -0.0022 0.0008 806 SER 51 CB -0.0117 -0.0008 0.0018 807 SER 51 OG -0.0110 -0.0006 0.0024 808 SER 51 H -0.0101 -0.0015 0.0017 809 SER 51 HA -0.0121 -0.0017 0.0005 810 SER 51 HB3 -0.0119 -0.0005 0.0021 811 SER 51 HB2 -0.0124 -0.0007 0.0017 812 SER 51 HG -0.0105 -0.0006 0.0027 813 THR 52 N -0.0047 -0.0042 0.0052 814 THR 52 CA -0.0057 -0.0047 0.0051 815 THR 52 C -0.0059 -0.0046 0.0038 816 THR 52 O -0.0051 -0.0041 0.0033 817 THR 52 CB -0.0058 -0.0048 0.0060 818 THR 52 OG1 -0.0056 -0.0049 0.0072 819 THR 52 CG2 -0.0068 -0.0053 0.0060 820 THR 52 H -0.0040 -0.0038 0.0049 821 THR 52 HA -0.0064 -0.0050 0.0052 822 THR 52 HB -0.0051 -0.0045 0.0059 823 THR 52 HG1 -0.0052 -0.0047 0.0071 824 THR 52 HG21 -0.0068 -0.0054 0.0067 825 THR 52 HG22 -0.0069 -0.0053 0.0051 826 THR 52 HG23 -0.0075 -0.0057 0.0061 827 ASP 53 N 0.0010 -0.0029 0.0004 828 ASP 53 CA -0.0014 -0.0013 -0.0007 829 ASP 53 C -0.0042 -0.0028 0.0009 830 ASP 53 O -0.0053 -0.0040 0.0021 831 ASP 53 CB -0.0024 0.0007 -0.0024 832 ASP 53 CG 0.0003 0.0021 -0.0039 833 ASP 53 OD1 0.0021 0.0027 -0.0046 834 ASP 53 OD2 0.0005 0.0027 -0.0043 835 ASP 53 H 0.0006 -0.0032 0.0007 836 ASP 53 HA -0.0005 -0.0007 -0.0013 837 ASP 53 HB3 -0.0042 0.0019 -0.0032 838 ASP 53 HB2 -0.0035 0.0001 -0.0017 839 TYR 54 N -0.0004 -0.0086 -0.0005 840 TYR 54 CA -0.0003 -0.0082 0.0005 841 TYR 54 C -0.0007 -0.0092 -0.0024 842 TYR 54 O 0.0010 -0.0094 -0.0052 843 TYR 54 CB 0.0031 -0.0065 0.0018 844 TYR 54 CG 0.0036 -0.0053 0.0052 845 TYR 54 CD1 0.0049 -0.0047 0.0053 846 TYR 54 CD2 0.0029 -0.0047 0.0083 847 TYR 54 CE1 0.0055 -0.0036 0.0084 848 TYR 54 CE2 0.0033 -0.0036 0.0114 849 TYR 54 CZ 0.0047 -0.0030 0.0114 850 TYR 54 OH 0.0052 -0.0019 0.0146 851 TYR 54 H 0.0013 -0.0085 -0.0024 852 TYR 54 HA -0.0023 -0.0084 0.0026 853 TYR 54 HB3 0.0034 -0.0063 0.0021 854 TYR 54 HB2 0.0051 -0.0063 -0.0001 855 TYR 54 HD1 0.0056 -0.0052 0.0030 856 TYR 54 HD2 0.0021 -0.0050 0.0083 857 TYR 54 HE1 0.0065 -0.0032 0.0085 858 TYR 54 HE2 0.0025 -0.0032 0.0138 859 TYR 54 HH 0.0065 -0.0015 0.0142 860 GLY 55 N -0.0017 -0.0062 -0.0036 861 GLY 55 CA -0.0027 -0.0060 -0.0039 862 GLY 55 C -0.0038 -0.0055 -0.0054 863 GLY 55 O -0.0042 -0.0052 -0.0063 864 GLY 55 H -0.0022 -0.0064 -0.0028 865 GLY 55 HA3 -0.0019 -0.0061 -0.0039 866 GLY 55 HA2 -0.0036 -0.0063 -0.0028 867 ILE 56 N -0.0066 0.0029 -0.0005 868 ILE 56 CA -0.0060 0.0031 0.0002 869 ILE 56 C -0.0061 0.0031 0.0010 870 ILE 56 O -0.0055 0.0033 0.0015 871 ILE 56 CB -0.0060 0.0031 0.0005 872 ILE 56 CG1 -0.0051 0.0033 0.0011 873 ILE 56 CG2 -0.0068 0.0030 0.0010 874 ILE 56 CD1 -0.0050 0.0033 0.0011 875 ILE 56 H -0.0070 0.0028 -0.0007 876 ILE 56 HA -0.0053 0.0032 -0.0001 877 ILE 56 HB -0.0059 0.0031 -0.0001 878 ILE 56 HG13 -0.0045 0.0034 0.0008 879 ILE 56 HG12 -0.0052 0.0033 0.0018 880 ILE 56 HG21 -0.0068 0.0030 0.0012 881 ILE 56 HG22 -0.0074 0.0028 0.0005 882 ILE 56 HG23 -0.0069 0.0030 0.0016 883 ILE 56 HD11 -0.0044 0.0035 0.0016 884 ILE 56 HD12 -0.0049 0.0033 0.0005 885 ILE 56 HD13 -0.0055 0.0032 0.0015 886 PHE 57 N -0.0086 0.0059 0.0008 887 PHE 57 CA -0.0084 0.0064 0.0011 888 PHE 57 C -0.0079 0.0061 0.0003 889 PHE 57 O -0.0077 0.0064 0.0004 890 PHE 57 CB -0.0094 0.0061 0.0017 891 PHE 57 CG -0.0100 0.0065 0.0027 892 PHE 57 CD1 -0.0097 0.0074 0.0033 893 PHE 57 CD2 -0.0110 0.0058 0.0029 894 PHE 57 CE1 -0.0102 0.0077 0.0041 895 PHE 57 CE2 -0.0116 0.0061 0.0037 896 PHE 57 CZ -0.0112 0.0071 0.0043 897 PHE 57 H -0.0091 0.0052 0.0005 898 PHE 57 HA -0.0080 0.0071 0.0015 899 PHE 57 HB3 -0.0093 0.0064 0.0019 900 PHE 57 HB2 -0.0099 0.0054 0.0014 901 PHE 57 HD1 -0.0089 0.0079 0.0031 902 PHE 57 HD2 -0.0113 0.0051 0.0024 903 PHE 57 HE1 -0.0099 0.0084 0.0046 904 PHE 57 HE2 -0.0123 0.0056 0.0039 905 PHE 57 HZ -0.0116 0.0073 0.0050 906 GLN 58 N -0.0087 0.0024 -0.0044 907 GLN 58 CA -0.0064 0.0020 -0.0043 908 GLN 58 C -0.0042 0.0024 -0.0049 909 GLN 58 O -0.0027 0.0034 -0.0059 910 GLN 58 CB -0.0066 0.0029 -0.0050 911 GLN 58 CG -0.0085 0.0020 -0.0041 912 GLN 58 CD -0.0077 0.0001 -0.0025 913 GLN 58 OE1 -0.0063 -0.0001 -0.0024 914 GLN 58 NE2 -0.0085 -0.0012 -0.0012 915 GLN 58 H -0.0098 0.0015 -0.0034 916 GLN 58 HA -0.0063 0.0005 -0.0030 917 GLN 58 HB3 -0.0049 0.0027 -0.0051 918 GLN 58 HB2 -0.0071 0.0043 -0.0063 919 GLN 58 HG3 -0.0088 0.0029 -0.0049 920 GLN 58 HG2 -0.0102 0.0020 -0.0039 921 GLN 58 HE22 -0.0080 -0.0025 -0.0001 922 GLN 58 HE21 -0.0096 -0.0010 -0.0013 923 ILE 59 N 0.0034 0.0006 -0.0040 924 ILE 59 CA 0.0060 -0.0010 -0.0050 925 ILE 59 C 0.0090 -0.0036 -0.0055 926 ILE 59 O 0.0088 -0.0056 -0.0037 927 ILE 59 CB 0.0047 -0.0026 -0.0026 928 ILE 59 CG1 0.0022 0.0003 -0.0028 929 ILE 59 CG2 0.0076 -0.0049 -0.0032 930 ILE 59 CD1 0.0001 -0.0008 -0.0002 931 ILE 59 H 0.0016 -0.0003 -0.0018 932 ILE 59 HA 0.0067 0.0010 -0.0071 933 ILE 59 HB 0.0035 -0.0041 -0.0004 934 ILE 59 HG13 0.0006 0.0023 -0.0030 935 ILE 59 HG12 0.0035 0.0015 -0.0048 936 ILE 59 HG21 0.0066 -0.0060 -0.0015 937 ILE 59 HG22 0.0093 -0.0069 -0.0031 938 ILE 59 HG23 0.0088 -0.0034 -0.0054 939 ILE 59 HD11 -0.0016 0.0014 -0.0005 940 ILE 59 HD12 -0.0013 -0.0019 0.0018 941 ILE 59 HD13 0.0017 -0.0027 -0.0000 942 ASN 60 N 0.0089 -0.0043 -0.0096 943 ASN 60 CA 0.0069 -0.0030 -0.0090 944 ASN 60 C 0.0076 -0.0014 -0.0086 945 ASN 60 O 0.0091 -0.0020 -0.0090 946 ASN 60 CB 0.0049 -0.0050 -0.0093 947 ASN 60 CG 0.0025 -0.0039 -0.0087 948 ASN 60 OD1 0.0021 -0.0037 -0.0085 949 ASN 60 ND2 0.0010 -0.0032 -0.0083 950 ASN 60 H 0.0092 -0.0059 -0.0101 951 ASN 60 HA 0.0060 -0.0019 -0.0086 952 ASN 60 HB3 0.0057 -0.0061 -0.0097 953 ASN 60 HB2 0.0045 -0.0062 -0.0096 954 ASN 60 HD22 -0.0006 -0.0025 -0.0078 955 ASN 60 HD21 0.0015 -0.0033 -0.0084 956 SER 61 N -0.0062 -0.0054 -0.0073 957 SER 61 CA -0.0044 -0.0035 -0.0059 958 SER 61 C -0.0040 -0.0033 -0.0059 959 SER 61 O -0.0023 -0.0018 -0.0049 960 SER 61 CB -0.0056 -0.0018 -0.0034 961 SER 61 OG -0.0081 -0.0021 -0.0025 962 SER 61 H -0.0081 -0.0055 -0.0064 963 SER 61 HA -0.0024 -0.0032 -0.0065 964 SER 61 HB3 -0.0060 -0.0019 -0.0033 965 SER 61 HB2 -0.0041 -0.0003 -0.0024 966 SER 61 HG -0.0082 -0.0009 -0.0010 967 ARG 62 N -0.0074 0.0030 -0.0183 968 ARG 62 CA -0.0051 0.0046 -0.0180 969 ARG 62 C -0.0020 0.0057 -0.0215 970 ARG 62 O 0.0010 0.0079 -0.0210 971 ARG 62 CB -0.0071 0.0033 -0.0179 972 ARG 62 CG -0.0046 0.0050 -0.0178 973 ARG 62 CD -0.0066 0.0041 -0.0158 974 ARG 62 NE -0.0067 0.0053 -0.0113 975 ARG 62 CZ -0.0097 0.0039 -0.0089 976 ARG 62 NH1 -0.0126 0.0015 -0.0107 977 ARG 62 NH2 -0.0100 0.0048 -0.0049 978 ARG 62 H -0.0097 0.0011 -0.0194 979 ARG 62 HA -0.0040 0.0061 -0.0151 980 ARG 62 HB3 -0.0084 0.0017 -0.0206 981 ARG 62 HB2 -0.0091 0.0027 -0.0152 982 ARG 62 HG3 -0.0025 0.0069 -0.0161 983 ARG 62 HG2 -0.0035 0.0049 -0.0209 984 ARG 62 HD3 -0.0055 0.0046 -0.0170 985 ARG 62 HD2 -0.0093 0.0022 -0.0165 986 ARG 62 HE -0.0044 0.0072 -0.0101 987 ARG 62 HH12 -0.0150 0.0004 -0.0090 988 ARG 62 HH11 -0.0124 0.0008 -0.0138 989 ARG 62 HH22 -0.0124 0.0037 -0.0031 990 ARG 62 HH21 -0.0079 0.0066 -0.0036 991 TYR 63 N 0.0029 0.0025 -0.0193 992 TYR 63 CA 0.0043 -0.0037 -0.0157 993 TYR 63 C 0.0122 -0.0021 -0.0153 994 TYR 63 O 0.0120 -0.0054 -0.0135 995 TYR 63 CB 0.0059 -0.0114 -0.0110 996 TYR 63 CG -0.0019 -0.0134 -0.0111 997 TYR 63 CD1 -0.0102 -0.0163 -0.0107 998 TYR 63 CD2 -0.0011 -0.0123 -0.0116 999 TYR 63 CE1 -0.0174 -0.0182 -0.0107 1000 TYR 63 CE2 -0.0085 -0.0142 -0.0116 1001 TYR 63 CZ -0.0165 -0.0171 -0.0112 1002 TYR 63 OH -0.0238 -0.0191 -0.0112 1003 TYR 63 H 0.0071 0.0032 -0.0191 1004 TYR 63 HA -0.0018 -0.0047 -0.0160 1005 TYR 63 HB3 0.0065 -0.0163 -0.0082 1006 TYR 63 HB2 0.0121 -0.0105 -0.0106 1007 TYR 63 HD1 -0.0110 -0.0171 -0.0104 1008 TYR 63 HD2 0.0052 -0.0100 -0.0119 1009 TYR 63 HE1 -0.0238 -0.0205 -0.0104 1010 TYR 63 HE2 -0.0078 -0.0133 -0.0120 1011 TYR 63 HH -0.0218 -0.0207 -0.0100 1012 TRP 64 N 0.0093 -0.0025 -0.0105 1013 TRP 64 CA 0.0115 -0.0025 -0.0103 1014 TRP 64 C 0.0116 -0.0006 -0.0156 1015 TRP 64 O 0.0098 -0.0006 -0.0158 1016 TRP 64 CB 0.0175 -0.0034 -0.0075 1017 TRP 64 CG 0.0172 -0.0054 -0.0021 1018 TRP 64 CD1 0.0196 -0.0058 -0.0007 1019 TRP 64 CD2 0.0145 -0.0072 0.0026 1020 TRP 64 NE1 0.0184 -0.0078 0.0046 1021 TRP 64 CE2 0.0153 -0.0087 0.0068 1022 TRP 64 CE3 0.0115 -0.0077 0.0038 1023 TRP 64 CZ2 0.0131 -0.0107 0.0120 1024 TRP 64 CZ3 0.0093 -0.0097 0.0090 1025 TRP 64 CH2 0.0101 -0.0111 0.0130 1026 TRP 64 H 0.0115 -0.0017 -0.0126 1027 TRP 64 HA 0.0086 -0.0036 -0.0077 1028 TRP 64 HB3 0.0190 -0.0035 -0.0071 1029 TRP 64 HB2 0.0205 -0.0024 -0.0101 1030 TRP 64 HD1 0.0219 -0.0047 -0.0037 1031 TRP 64 HE1 0.0198 -0.0084 0.0063 1032 TRP 64 HE3 0.0109 -0.0066 0.0007 1033 TRP 64 HZ2 0.0138 -0.0118 0.0151 1034 TRP 64 HZ3 0.0069 -0.0101 0.0100 1035 TRP 64 HH2 0.0084 -0.0126 0.0169 1036 CYS 65 N 0.0111 -0.0044 -0.0105 1037 CYS 65 CA 0.0121 -0.0026 -0.0096 1038 CYS 65 C 0.0108 -0.0014 -0.0094 1039 CYS 65 O 0.0090 -0.0016 -0.0100 1040 CYS 65 CB 0.0125 -0.0015 -0.0091 1041 CYS 65 SG 0.0102 -0.0006 -0.0093 1042 CYS 65 H 0.0097 -0.0043 -0.0108 1043 CYS 65 HA 0.0136 -0.0030 -0.0094 1044 CYS 65 HB3 0.0135 -0.0024 -0.0092 1045 CYS 65 HB2 0.0134 -0.0003 -0.0084 1046 ASN 66 N -0.0015 -0.0057 -0.0042 1047 ASN 66 CA -0.0021 -0.0026 0.0008 1048 ASN 66 C -0.0053 -0.0014 0.0050 1049 ASN 66 O -0.0037 -0.0003 0.0055 1050 ASN 66 CB 0.0036 0.0007 0.0019 1051 ASN 66 CG 0.0032 0.0039 0.0070 1052 ASN 66 OD1 -0.0001 0.0033 0.0085 1053 ASN 66 ND2 0.0066 0.0073 0.0097 1054 ASN 66 H 0.0014 -0.0050 -0.0053 1055 ASN 66 HA -0.0043 -0.0036 0.0010 1056 ASN 66 HB3 0.0060 0.0017 0.0017 1057 ASN 66 HB2 0.0059 -0.0002 -0.0012 1058 ASN 66 HD22 0.0066 0.0095 0.0132 1059 ASN 66 HD21 0.0093 0.0076 0.0082 1060 ASP 67 N 0.0039 -0.0069 0.0200 1061 ASP 67 CA 0.0009 -0.0012 0.0235 1062 ASP 67 C -0.0003 0.0015 0.0252 1063 ASP 67 O -0.0029 0.0064 0.0281 1064 ASP 67 CB -0.0050 0.0000 0.0223 1065 ASP 67 CG -0.0110 -0.0020 0.0184 1066 ASP 67 OD1 -0.0109 -0.0040 0.0169 1067 ASP 67 OD2 -0.0158 -0.0015 0.0170 1068 ASP 67 H 0.0012 -0.0093 0.0171 1069 ASP 67 HA 0.0045 0.0007 0.0263 1070 ASP 67 HB3 -0.0037 -0.0015 0.0215 1071 ASP 67 HB2 -0.0065 0.0044 0.0252 1072 GLY 68 N -0.0082 0.0302 0.0739 1073 GLY 68 CA -0.0274 0.0143 0.0332 1074 GLY 68 C -0.1496 0.0598 -0.1162 1075 GLY 68 O -0.1647 0.0033 -0.1812 1076 GLY 68 H 0.0281 -0.0765 0.0486 1077 GLY 68 HA3 0.0004 0.0885 0.1305 1078 GLY 68 HA2 0.0336 -0.1142 0.0286 1079 LYS 69 N -0.0159 -0.0159 0.0174 1080 LYS 69 CA -0.0198 -0.0119 0.0075 1081 LYS 69 C -0.0220 -0.0143 0.0030 1082 LYS 69 O -0.0250 -0.0103 -0.0047 1083 LYS 69 CB -0.0189 -0.0002 0.0070 1084 LYS 69 CG -0.0156 0.0063 0.0131 1085 LYS 69 CD -0.0153 0.0179 0.0110 1086 LYS 69 CE -0.0134 0.0241 0.0139 1087 LYS 69 NZ -0.0093 0.0314 0.0217 1088 LYS 69 H -0.0133 -0.0127 0.0225 1089 LYS 69 HA -0.0220 -0.0156 0.0032 1090 LYS 69 HB3 -0.0178 0.0011 0.0092 1091 LYS 69 HB2 -0.0218 0.0027 -0.0005 1092 LYS 69 HG3 -0.0164 0.0042 0.0116 1093 LYS 69 HG2 -0.0124 0.0045 0.0206 1094 LYS 69 HD3 -0.0134 0.0205 0.0148 1095 LYS 69 HD2 -0.0185 0.0193 0.0034 1096 LYS 69 HE3 -0.0157 0.0286 0.0077 1097 LYS 69 HE2 -0.0128 0.0188 0.0165 1098 LYS 69 HZ1 -0.0080 0.0355 0.0236 1099 LYS 69 HZ2 -0.0098 0.0363 0.0193 1100 LYS 69 HZ3 -0.0072 0.0272 0.0275 1101 THR 70 N -0.0168 -0.0085 0.0117 1102 THR 70 CA -0.0161 -0.0063 0.0085 1103 THR 70 C -0.0116 -0.0049 0.0076 1104 THR 70 O -0.0102 -0.0042 0.0069 1105 THR 70 CB -0.0191 -0.0045 0.0053 1106 THR 70 OG1 -0.0234 -0.0058 0.0063 1107 THR 70 CG2 -0.0187 -0.0023 0.0022 1108 THR 70 H -0.0173 -0.0083 0.0113 1109 THR 70 HA -0.0168 -0.0067 0.0090 1110 THR 70 HB -0.0183 -0.0040 0.0047 1111 THR 70 HG1 -0.0237 -0.0073 0.0084 1112 THR 70 HG21 -0.0208 -0.0011 -0.0001 1113 THR 70 HG22 -0.0155 -0.0013 0.0014 1114 THR 70 HG23 -0.0197 -0.0029 0.0028 1115 PRO 71 N 0.0011 -0.0055 0.0275 1116 PRO 71 CA 0.0283 0.0006 0.0198 1117 PRO 71 C 0.0246 0.0230 0.0010 1118 PRO 71 O 0.0072 0.0369 -0.0094 1119 PRO 71 CB 0.0478 0.0015 0.0172 1120 PRO 71 CG 0.0343 -0.0102 0.0285 1121 PRO 71 CD 0.0022 -0.0083 0.0298 1122 PRO 71 HA 0.0365 -0.0116 0.0295 1123 PRO 71 HB3 0.0684 -0.0067 0.0224 1124 PRO 71 HB2 0.0497 0.0184 0.0026 1125 PRO 71 HG3 0.0418 -0.0273 0.0425 1126 PRO 71 HG2 0.0387 -0.0026 0.0215 1127 PRO 71 HD2 -0.0070 0.0064 0.0181 1128 PRO 71 HD3 -0.0070 -0.0235 0.0437 1129 GLY 72 N 0.0109 0.0583 0.0353 1130 GLY 72 CA 0.0380 0.0291 -0.0035 1131 GLY 72 C 0.0581 0.0212 -0.0119 1132 GLY 72 O 0.0629 -0.0044 -0.0492 1133 GLY 72 H 0.0267 0.0714 0.0576 1134 GLY 72 HA3 0.0123 0.0136 -0.0312 1135 GLY 72 HA2 0.0702 0.0264 -0.0020 1136 ALA 73 N -0.0080 0.0143 -0.0099 1137 ALA 73 CA -0.0124 0.0141 -0.0158 1138 ALA 73 C -0.0159 0.0214 -0.0187 1139 ALA 73 O -0.0162 0.0251 -0.0182 1140 ALA 73 CB -0.0145 0.0078 -0.0202 1141 ALA 73 H -0.0072 0.0115 -0.0095 1142 ALA 73 HA -0.0117 0.0127 -0.0152 1143 ALA 73 HB1 -0.0177 0.0075 -0.0247 1144 ALA 73 HB2 -0.0121 0.0025 -0.0184 1145 ALA 73 HB3 -0.0151 0.0091 -0.0208 1146 VAL 74 N -0.0332 0.0206 -0.0417 1147 VAL 74 CA -0.0445 0.0190 -0.0310 1148 VAL 74 C -0.0430 0.0194 -0.0346 1149 VAL 74 O -0.0564 0.0182 -0.0321 1150 VAL 74 CB -0.0407 0.0178 -0.0106 1151 VAL 74 CG1 -0.0504 0.0162 0.0015 1152 VAL 74 CG2 -0.0458 0.0171 -0.0072 1153 VAL 74 H -0.0199 0.0214 -0.0381 1154 VAL 74 HA -0.0585 0.0181 -0.0338 1155 VAL 74 HB -0.0262 0.0187 -0.0082 1156 VAL 74 HG11 -0.0473 0.0153 0.0156 1157 VAL 74 HG12 -0.0459 0.0167 -0.0015 1158 VAL 74 HG13 -0.0649 0.0152 -0.0009 1159 VAL 74 HG21 -0.0434 0.0163 0.0070 1160 VAL 74 HG22 -0.0601 0.0163 -0.0105 1161 VAL 74 HG23 -0.0375 0.0184 -0.0157 1162 ASN 75 N 0.0017 0.0108 -0.0267 1163 ASN 75 CA 0.0027 0.0114 -0.0239 1164 ASN 75 C 0.0040 0.0097 -0.0233 1165 ASN 75 O 0.0057 0.0085 -0.0215 1166 ASN 75 CB 0.0037 0.0113 -0.0218 1167 ASN 75 CG 0.0041 0.0128 -0.0189 1168 ASN 75 OD1 0.0035 0.0141 -0.0184 1169 ASN 75 ND2 0.0051 0.0127 -0.0169 1170 ASN 75 H 0.0003 0.0124 -0.0276 1171 ASN 75 HA 0.0017 0.0134 -0.0234 1172 ASN 75 HB3 0.0050 0.0093 -0.0218 1173 ASN 75 HB2 0.0028 0.0121 -0.0225 1174 ASN 75 HD22 0.0054 0.0137 -0.0149 1175 ASN 75 HD21 0.0056 0.0117 -0.0173 1176 ALA 76 N 0.0055 0.0034 -0.0147 1177 ALA 76 CA 0.0049 -0.0001 -0.0060 1178 ALA 76 C 0.0109 0.0012 -0.0045 1179 ALA 76 O 0.0091 -0.0014 0.0009 1180 ALA 76 CB 0.0066 -0.0023 0.0013 1181 ALA 76 H 0.0082 0.0044 -0.0150 1182 ALA 76 HA -0.0021 -0.0022 -0.0058 1183 ALA 76 HB1 0.0061 -0.0049 0.0077 1184 ALA 76 HB2 0.0015 -0.0034 0.0002 1185 ALA 76 HB3 0.0134 -0.0002 0.0011 1186 CYS 77 N 0.0088 -0.0009 -0.0018 1187 CYS 77 CA 0.0087 -0.0008 -0.0010 1188 CYS 77 C 0.0083 -0.0015 -0.0010 1189 CYS 77 O 0.0081 -0.0015 -0.0004 1190 CYS 77 CB 0.0091 0.0001 -0.0010 1191 CYS 77 SG 0.0095 0.0010 -0.0007 1192 CYS 77 H 0.0092 -0.0007 -0.0023 1193 CYS 77 HA 0.0085 -0.0007 -0.0004 1194 CYS 77 HB3 0.0090 0.0001 -0.0006 1195 CYS 77 HB2 0.0094 0.0001 -0.0017 1196 HIS 78 N 0.0042 0.0172 -0.0051 1197 HIS 78 CA -0.0043 -0.0024 -0.0056 1198 HIS 78 C -0.0100 -0.0071 -0.0032 1199 HIS 78 O -0.0240 -0.0146 0.0037 1200 HIS 78 CB -0.0174 -0.0071 0.0017 1201 HIS 78 CG -0.0104 -0.0053 -0.0024 1202 HIS 78 ND1 -0.0099 0.0107 0.0021 1203 HIS 78 CD2 -0.0036 -0.0178 -0.0107 1204 HIS 78 CE1 -0.0030 0.0081 -0.0032 1205 HIS 78 NE2 0.0009 -0.0092 -0.0111 1206 HIS 78 H 0.0156 0.0197 -0.0119 1207 HIS 78 HA 0.0050 -0.0113 -0.0144 1208 HIS 78 HB3 -0.0238 -0.0215 0.0014 1209 HIS 78 HB2 -0.0266 0.0022 0.0106 1210 HIS 78 HD1 -0.0145 0.0220 0.0086 1211 HIS 78 HD2 -0.0025 -0.0315 -0.0156 1212 HIS 78 HE1 -0.0014 0.0193 -0.0008 1213 LEU 79 N 0.0104 -0.0045 -0.0025 1214 LEU 79 CA 0.0094 -0.0051 -0.0020 1215 LEU 79 C 0.0127 -0.0066 -0.0043 1216 LEU 79 O 0.0159 -0.0049 -0.0061 1217 LEU 79 CB 0.0090 -0.0003 -0.0009 1218 LEU 79 CG 0.0055 0.0014 0.0015 1219 LEU 79 CD1 0.0060 0.0057 0.0020 1220 LEU 79 CD2 0.0022 -0.0015 0.0031 1221 LEU 79 H 0.0131 -0.0034 -0.0041 1222 LEU 79 HA 0.0068 -0.0073 -0.0008 1223 LEU 79 HB3 0.0109 0.0003 -0.0020 1224 LEU 79 HB2 0.0106 0.0020 -0.0015 1225 LEU 79 HG 0.0045 0.0025 0.0024 1226 LEU 79 HD11 0.0032 0.0067 0.0039 1227 LEU 79 HD12 0.0076 0.0082 0.0014 1228 LEU 79 HD13 0.0074 0.0051 0.0010 1229 LEU 79 HD21 -0.0001 0.0004 0.0049 1230 LEU 79 HD22 0.0031 -0.0031 0.0023 1231 LEU 79 HD23 0.0014 -0.0040 0.0032 1232 SER 80 N 0.0154 -0.0029 -0.0018 1233 SER 80 CA 0.0165 -0.0054 -0.0002 1234 SER 80 C 0.0165 -0.0070 -0.0001 1235 SER 80 O 0.0150 -0.0074 -0.0019 1236 SER 80 CB 0.0156 -0.0075 -0.0011 1237 SER 80 OG 0.0165 -0.0102 0.0001 1238 SER 80 H 0.0142 -0.0028 -0.0033 1239 SER 80 HA 0.0179 -0.0048 0.0015 1240 SER 80 HB3 0.0141 -0.0079 -0.0029 1241 SER 80 HB2 0.0158 -0.0065 -0.0011 1242 SER 80 HG 0.0177 -0.0099 0.0017 1243 CYS 81 N 0.0185 -0.0062 0.0043 1244 CYS 81 CA 0.0171 -0.0082 0.0041 1245 CYS 81 C 0.0178 -0.0077 0.0040 1246 CYS 81 O 0.0175 -0.0093 0.0033 1247 CYS 81 CB 0.0144 -0.0085 0.0053 1248 CYS 81 SG 0.0133 -0.0096 0.0054 1249 CYS 81 H 0.0176 -0.0052 0.0053 1250 CYS 81 HA 0.0177 -0.0099 0.0030 1251 CYS 81 HB3 0.0134 -0.0099 0.0052 1252 CYS 81 HB2 0.0137 -0.0068 0.0065 1253 SER 82 N 0.0238 -0.0112 0.0047 1254 SER 82 CA 0.0206 -0.0143 0.0045 1255 SER 82 C 0.0173 -0.0133 0.0012 1256 SER 82 O 0.0143 -0.0156 0.0005 1257 SER 82 CB 0.0212 -0.0164 0.0066 1258 SER 82 OG 0.0214 -0.0145 0.0054 1259 SER 82 H 0.0260 -0.0106 0.0060 1260 SER 82 HA 0.0200 -0.0161 0.0054 1261 SER 82 HB3 0.0237 -0.0169 0.0089 1262 SER 82 HB2 0.0190 -0.0191 0.0068 1263 SER 82 HG 0.0237 -0.0125 0.0057 1264 ALA 83 N 0.0166 -0.0142 -0.0022 1265 ALA 83 CA 0.0107 -0.0108 -0.0006 1266 ALA 83 C 0.0128 -0.0058 0.0010 1267 ALA 83 O 0.0084 -0.0038 0.0020 1268 ALA 83 CB 0.0068 -0.0076 0.0008 1269 ALA 83 H 0.0177 -0.0138 -0.0022 1270 ALA 83 HA 0.0072 -0.0144 -0.0016 1271 ALA 83 HB1 0.0024 -0.0051 0.0020 1272 ALA 83 HB2 0.0050 -0.0113 -0.0004 1273 ALA 83 HB3 0.0102 -0.0042 0.0018 1274 LEU 84 N 0.0083 -0.0058 0.0009 1275 LEU 84 CA 0.0088 -0.0038 0.0010 1276 LEU 84 C 0.0093 -0.0043 0.0008 1277 LEU 84 O 0.0099 -0.0028 0.0008 1278 LEU 84 CB 0.0107 -0.0026 0.0006 1279 LEU 84 CG 0.0104 -0.0020 0.0008 1280 LEU 84 CD1 0.0123 -0.0010 0.0004 1281 LEU 84 CD2 0.0085 -0.0007 0.0015 1282 LEU 84 H 0.0095 -0.0065 0.0005 1283 LEU 84 HA 0.0075 -0.0028 0.0015 1284 LEU 84 HB3 0.0111 -0.0012 0.0007 1285 LEU 84 HB2 0.0120 -0.0036 0.0001 1286 LEU 84 HG 0.0101 -0.0035 0.0007 1287 LEU 84 HD11 0.0120 -0.0006 0.0005 1288 LEU 84 HD12 0.0136 -0.0021 -0.0001 1289 LEU 84 HD13 0.0128 0.0004 0.0004 1290 LEU 84 HD21 0.0084 -0.0003 0.0016 1291 LEU 84 HD22 0.0087 0.0008 0.0017 1292 LEU 84 HD23 0.0071 -0.0016 0.0018 1293 HIS 85 N 0.0165 -0.0078 -0.0017 1294 HIS 85 CA 0.0155 -0.0080 -0.0012 1295 HIS 85 C 0.0182 -0.0072 -0.0027 1296 HIS 85 O 0.0178 -0.0068 -0.0022 1297 HIS 85 CB 0.0133 -0.0055 0.0012 1298 HIS 85 CG 0.0104 -0.0062 0.0030 1299 HIS 85 ND1 0.0083 -0.0040 0.0051 1300 HIS 85 CD2 0.0091 -0.0088 0.0028 1301 HIS 85 CE1 0.0060 -0.0053 0.0062 1302 HIS 85 NE2 0.0064 -0.0083 0.0049 1303 HIS 85 H 0.0175 -0.0054 -0.0015 1304 HIS 85 HA 0.0143 -0.0106 -0.0013 1305 HIS 85 HB2 0.0144 -0.0029 0.0015 1306 HIS 85 HB3 0.0126 -0.0056 0.0017 1307 HIS 85 HD2 0.0104 -0.0109 0.0012 1308 HIS 85 HE1 0.0041 -0.0040 0.0080 1309 HIS 85 HE2 0.0051 -0.0100 0.0050 1310 GLN 86 N 0.0263 -0.0111 -0.0036 1311 GLN 86 CA 0.0196 -0.0135 -0.0055 1312 GLN 86 C 0.0208 -0.0095 -0.0027 1313 GLN 86 O 0.0244 -0.0035 0.0015 1314 GLN 86 CB 0.0101 -0.0116 -0.0044 1315 GLN 86 CG 0.0073 -0.0160 -0.0075 1316 GLN 86 CD -0.0021 -0.0133 -0.0059 1317 GLN 86 OE1 -0.0090 -0.0165 -0.0083 1318 GLN 86 NE2 -0.0028 -0.0080 -0.0023 1319 GLN 86 H 0.0242 -0.0075 -0.0012 1320 GLN 86 HA 0.0203 -0.0195 -0.0096 1321 GLN 86 HB3 0.0053 -0.0124 -0.0051 1322 GLN 86 HB2 0.0097 -0.0057 -0.0004 1323 GLN 86 HG3 0.0120 -0.0151 -0.0068 1324 GLN 86 HG2 0.0070 -0.0218 -0.0116 1325 GLN 86 HE22 -0.0089 -0.0061 -0.0012 1326 GLN 86 HE21 0.0028 -0.0054 -0.0004 1327 ASP 87 N 0.0238 -0.0067 0.0005 1328 ASP 87 CA 0.0232 -0.0036 0.0022 1329 ASP 87 C 0.0217 -0.0030 0.0044 1330 ASP 87 O 0.0217 -0.0002 0.0052 1331 ASP 87 CB 0.0222 -0.0036 0.0036 1332 ASP 87 CG 0.0236 -0.0030 0.0019 1333 ASP 87 OD1 0.0255 -0.0023 -0.0004 1334 ASP 87 OD2 0.0228 -0.0032 0.0029 1335 ASP 87 H 0.0232 -0.0086 0.0007 1336 ASP 87 HA 0.0246 -0.0016 0.0010 1337 ASP 87 HB3 0.0212 -0.0018 0.0054 1338 ASP 87 HB2 0.0210 -0.0059 0.0044 1339 ASN 88 N 0.0089 -0.0017 0.0062 1340 ASN 88 CA 0.0060 0.0038 0.0048 1341 ASN 88 C 0.0042 0.0086 0.0152 1342 ASN 88 O 0.0021 0.0132 0.0196 1343 ASN 88 CB 0.0017 0.0112 -0.0032 1344 ASN 88 CG -0.0012 0.0164 -0.0060 1345 ASN 88 OD1 -0.0034 0.0213 0.0001 1346 ASN 88 ND2 -0.0009 0.0147 -0.0156 1347 ASN 88 H 0.0074 0.0011 0.0039 1348 ASN 88 HA 0.0081 -0.0005 0.0021 1349 ASN 88 HB3 -0.0006 0.0160 0.0002 1350 ASN 88 HB2 0.0029 0.0079 -0.0100 1351 ASN 88 HD22 -0.0028 0.0179 -0.0181 1352 ASN 88 HD21 0.0010 0.0103 -0.0203 1353 ILE 89 N -0.0004 0.0117 0.0076 1354 ILE 89 CA -0.0010 0.0119 0.0094 1355 ILE 89 C -0.0013 0.0134 0.0093 1356 ILE 89 O -0.0017 0.0135 0.0106 1357 ILE 89 CB -0.0006 0.0099 0.0102 1358 ILE 89 CG1 -0.0001 0.0091 0.0090 1359 ILE 89 CG2 -0.0004 0.0086 0.0107 1360 ILE 89 CD1 0.0002 0.0072 0.0099 1361 ILE 89 H 0.0001 0.0109 0.0066 1362 ILE 89 HA -0.0014 0.0124 0.0104 1363 ILE 89 HB -0.0011 0.0102 0.0116 1364 ILE 89 HG13 -0.0003 0.0102 0.0087 1365 ILE 89 HG12 0.0004 0.0088 0.0076 1366 ILE 89 HG21 -0.0002 0.0072 0.0113 1367 ILE 89 HG22 -0.0008 0.0092 0.0117 1368 ILE 89 HG23 0.0000 0.0084 0.0093 1369 ILE 89 HD11 0.0006 0.0067 0.0090 1370 ILE 89 HD12 -0.0003 0.0075 0.0113 1371 ILE 89 HD13 0.0004 0.0061 0.0102 1372 ALA 90 N -0.0083 0.0249 0.0246 1373 ALA 90 CA -0.0085 0.0230 0.0253 1374 ALA 90 C -0.0120 0.0226 0.0251 1375 ALA 90 O -0.0130 0.0200 0.0259 1376 ALA 90 CB -0.0063 0.0243 0.0250 1377 ALA 90 H -0.0068 0.0269 0.0241 1378 ALA 90 HA -0.0076 0.0207 0.0262 1379 ALA 90 HB1 -0.0065 0.0228 0.0255 1380 ALA 90 HB2 -0.0038 0.0244 0.0252 1381 ALA 90 HB3 -0.0071 0.0267 0.0241 1382 ASP 91 N -0.0136 0.0188 0.0252 1383 ASP 91 CA -0.0133 0.0151 0.0205 1384 ASP 91 C -0.0077 0.0201 0.0189 1385 ASP 91 O -0.0085 0.0193 0.0190 1386 ASP 91 CB -0.0131 0.0091 0.0134 1387 ASP 91 CG -0.0194 0.0028 0.0145 1388 ASP 91 OD1 -0.0248 0.0013 0.0198 1389 ASP 91 OD2 -0.0190 -0.0009 0.0096 1390 ASP 91 H -0.0125 0.0180 0.0229 1391 ASP 91 HA -0.0178 0.0127 0.0237 1392 ASP 91 HB3 -0.0117 0.0073 0.0095 1393 ASP 91 HB2 -0.0092 0.0112 0.0106 1394 ALA 92 N -0.0060 0.0093 0.0098 1395 ALA 92 CA -0.0064 0.0093 0.0093 1396 ALA 92 C -0.0063 0.0083 0.0101 1397 ALA 92 O -0.0069 0.0076 0.0096 1398 ALA 92 CB -0.0060 0.0108 0.0090 1399 ALA 92 H -0.0055 0.0102 0.0100 1400 ALA 92 HA -0.0071 0.0090 0.0084 1401 ALA 92 HB1 -0.0062 0.0108 0.0086 1402 ALA 92 HB2 -0.0061 0.0115 0.0083 1403 ALA 92 HB3 -0.0052 0.0112 0.0099 1404 VAL 93 N -0.0172 0.0086 0.0103 1405 VAL 93 CA -0.0155 0.0045 0.0085 1406 VAL 93 C -0.0139 0.0031 0.0079 1407 VAL 93 O -0.0149 -0.0003 0.0063 1408 VAL 93 CB -0.0118 0.0042 0.0084 1409 VAL 93 CG1 -0.0092 0.0004 0.0068 1410 VAL 93 CG2 -0.0139 0.0044 0.0085 1411 VAL 93 H -0.0156 0.0108 0.0113 1412 VAL 93 HA -0.0181 0.0026 0.0075 1413 VAL 93 HB -0.0096 0.0067 0.0097 1414 VAL 93 HG11 -0.0067 0.0002 0.0068 1415 VAL 93 HG12 -0.0077 0.0003 0.0068 1416 VAL 93 HG13 -0.0114 -0.0021 0.0055 1417 VAL 93 HG21 -0.0114 0.0041 0.0084 1418 VAL 93 HG22 -0.0162 0.0019 0.0072 1419 VAL 93 HG23 -0.0157 0.0072 0.0097 1420 ALA 94 N -0.0144 0.0069 0.0150 1421 ALA 94 CA -0.0112 0.0028 0.0138 1422 ALA 94 C -0.0129 0.0014 0.0093 1423 ALA 94 O -0.0116 -0.0020 0.0062 1424 ALA 94 CB -0.0081 0.0024 0.0179 1425 ALA 94 H -0.0143 0.0090 0.0182 1426 ALA 94 HA -0.0097 0.0008 0.0130 1427 ALA 94 HB1 -0.0057 -0.0007 0.0168 1428 ALA 94 HB2 -0.0068 0.0032 0.0209 1429 ALA 94 HB3 -0.0095 0.0045 0.0187 1430 CYS 95 N -0.0032 -0.0008 0.0070 1431 CYS 95 CA -0.0022 -0.0011 0.0042 1432 CYS 95 C -0.0019 0.0011 0.0031 1433 CYS 95 O -0.0014 0.0005 0.0015 1434 CYS 95 CB -0.0017 -0.0014 0.0029 1435 CYS 95 SG -0.0005 -0.0020 -0.0006 1436 CYS 95 H -0.0035 -0.0003 0.0076 1437 CYS 95 HA -0.0020 -0.0030 0.0039 1438 CYS 95 HB3 -0.0020 0.0004 0.0032 1439 CYS 95 HB2 -0.0020 -0.0031 0.0038 1440 ALA 96 N -0.0092 -0.0021 0.0038 1441 ALA 96 CA -0.0104 -0.0027 0.0019 1442 ALA 96 C -0.0090 -0.0054 0.0012 1443 ALA 96 O -0.0099 -0.0068 -0.0009 1444 ALA 96 CB -0.0113 -0.0008 0.0027 1445 ALA 96 H -0.0089 -0.0007 0.0054 1446 ALA 96 HA -0.0119 -0.0027 0.0003 1447 ALA 96 HB1 -0.0122 -0.0012 0.0012 1448 ALA 96 HB2 -0.0124 0.0011 0.0030 1449 ALA 96 HB3 -0.0098 -0.0007 0.0043 1450 LYS 97 N -0.0173 -0.0108 -0.0038 1451 LYS 97 CA -0.0152 -0.0118 -0.0060 1452 LYS 97 C -0.0141 -0.0116 -0.0061 1453 LYS 97 O -0.0138 -0.0128 -0.0082 1454 LYS 97 CB -0.0126 -0.0112 -0.0060 1455 LYS 97 CG -0.0134 -0.0118 -0.0066 1456 LYS 97 CD -0.0109 -0.0112 -0.0064 1457 LYS 97 CE -0.0116 -0.0118 -0.0072 1458 LYS 97 NZ -0.0091 -0.0111 -0.0068 1459 LYS 97 H -0.0169 -0.0099 -0.0025 1460 LYS 97 HA -0.0163 -0.0130 -0.0077 1461 LYS 97 HB3 -0.0107 -0.0117 -0.0073 1462 LYS 97 HB2 -0.0118 -0.0099 -0.0041 1463 LYS 97 HG3 -0.0153 -0.0114 -0.0053 1464 LYS 97 HG2 -0.0141 -0.0132 -0.0086 1465 LYS 97 HD3 -0.0089 -0.0115 -0.0076 1466 LYS 97 HD2 -0.0103 -0.0099 -0.0044 1467 LYS 97 HE3 -0.0136 -0.0116 -0.0062 1468 LYS 97 HE2 -0.0119 -0.0132 -0.0093 1469 LYS 97 HZ1 -0.0099 -0.0111 -0.0065 1470 LYS 97 HZ2 -0.0082 -0.0099 -0.0051 1471 LYS 97 HZ3 -0.0075 -0.0117 -0.0083 1472 ARG 98 N -0.0028 -0.0114 -0.0034 1473 ARG 98 CA -0.0006 -0.0056 0.0016 1474 ARG 98 C 0.0020 -0.0066 0.0084 1475 ARG 98 O 0.0032 -0.0011 0.0109 1476 ARG 98 CB 0.0000 -0.0050 0.0033 1477 ARG 98 CG 0.0026 -0.0001 0.0093 1478 ARG 98 CD 0.0024 0.0081 0.0080 1479 ARG 98 NE 0.0051 0.0126 0.0145 1480 ARG 98 CZ 0.0071 0.0141 0.0194 1481 ARG 98 NH1 0.0070 0.0110 0.0195 1482 ARG 98 NH2 0.0093 0.0187 0.0245 1483 ARG 98 H -0.0035 -0.0148 -0.0048 1484 ARG 98 HA -0.0013 -0.0003 -0.0008 1485 ARG 98 HB3 0.0002 -0.0107 0.0043 1486 ARG 98 HB2 -0.0017 -0.0030 -0.0014 1487 ARG 98 HG3 0.0043 -0.0021 0.0140 1488 ARG 98 HG2 0.0031 -0.0007 0.0107 1489 ARG 98 HD3 0.0009 0.0103 0.0038 1490 ARG 98 HD2 0.0018 0.0087 0.0063 1491 ARG 98 HE 0.0054 0.0146 0.0149 1492 ARG 98 HH12 0.0086 0.0123 0.0234 1493 ARG 98 HH11 0.0054 0.0074 0.0157 1494 ARG 98 HH22 0.0108 0.0200 0.0284 1495 ARG 98 HH21 0.0093 0.0209 0.0244 1496 VAL 99 N 0.0013 -0.0059 0.0073 1497 VAL 99 CA 0.0029 -0.0048 0.0064 1498 VAL 99 C 0.0027 -0.0029 0.0066 1499 VAL 99 O 0.0037 -0.0024 0.0060 1500 VAL 99 CB 0.0034 -0.0044 0.0061 1501 VAL 99 CG1 0.0048 -0.0030 0.0052 1502 VAL 99 CG2 0.0037 -0.0062 0.0058 1503 VAL 99 H 0.0008 -0.0063 0.0076 1504 VAL 99 HA 0.0038 -0.0056 0.0058 1505 VAL 99 HB 0.0024 -0.0037 0.0068 1506 VAL 99 HG11 0.0051 -0.0028 0.0050 1507 VAL 99 HG12 0.0045 -0.0016 0.0055 1508 VAL 99 HG13 0.0058 -0.0036 0.0046 1509 VAL 99 HG21 0.0041 -0.0058 0.0056 1510 VAL 99 HG22 0.0047 -0.0069 0.0051 1511 VAL 99 HG23 0.0026 -0.0071 0.0064 1512 VAL 100 N -0.0030 -0.0112 -0.0028 1513 VAL 100 CA -0.0034 -0.0088 -0.0041 1514 VAL 100 C -0.0031 -0.0069 -0.0050 1515 VAL 100 O -0.0032 -0.0047 -0.0061 1516 VAL 100 CB -0.0059 -0.0090 -0.0048 1517 VAL 100 CG1 -0.0060 -0.0108 -0.0040 1518 VAL 100 CG2 -0.0083 -0.0094 -0.0053 1519 VAL 100 H -0.0045 -0.0124 -0.0027 1520 VAL 100 HA -0.0019 -0.0084 -0.0039 1521 VAL 100 HB -0.0060 -0.0072 -0.0057 1522 VAL 100 HG11 -0.0078 -0.0108 -0.0045 1523 VAL 100 HG12 -0.0044 -0.0102 -0.0038 1524 VAL 100 HG13 -0.0059 -0.0126 -0.0031 1525 VAL 100 HG21 -0.0100 -0.0095 -0.0058 1526 VAL 100 HG22 -0.0083 -0.0112 -0.0045 1527 VAL 100 HG23 -0.0083 -0.0080 -0.0060 1528 ARG 101 N -0.0054 -0.0051 -0.0024 1529 ARG 101 CA -0.0001 0.0032 -0.0065 1530 ARG 101 C 0.0054 0.0076 -0.0021 1531 ARG 101 O 0.0093 0.0142 -0.0059 1532 ARG 101 CB 0.0026 0.0067 -0.0071 1533 ARG 101 CG -0.0021 0.0049 -0.0147 1534 ARG 101 CD 0.0009 0.0098 -0.0171 1535 ARG 101 NE 0.0036 0.0090 -0.0091 1536 ARG 101 CZ 0.0005 0.0042 -0.0071 1537 ARG 101 NH1 -0.0061 -0.0015 -0.0114 1538 ARG 101 NH2 0.0037 0.0047 -0.0003 1539 ARG 101 H -0.0052 -0.0071 0.0021 1540 ARG 101 HA -0.0025 0.0040 -0.0138 1541 ARG 101 HB3 0.0074 0.0130 -0.0082 1542 ARG 101 HB2 0.0037 0.0047 -0.0004 1543 ARG 101 HG3 -0.0064 -0.0012 -0.0126 1544 ARG 101 HG2 -0.0044 0.0053 -0.0209 1545 ARG 101 HD3 -0.0028 0.0082 -0.0228 1546 ARG 101 HD2 0.0049 0.0159 -0.0196 1547 ARG 101 HE 0.0083 0.0126 -0.0049 1548 ARG 101 HH12 -0.0084 -0.0051 -0.0097 1549 ARG 101 HH11 -0.0088 -0.0023 -0.0162 1550 ARG 101 HH22 0.0012 0.0010 0.0012 1551 ARG 101 HH21 0.0086 0.0087 0.0033 1552 ASP 102 N 0.0130 0.0094 -0.0022 1553 ASP 102 CA 0.0132 0.0116 0.0050 1554 ASP 102 C 0.0093 0.0044 -0.0002 1555 ASP 102 O 0.0051 -0.0035 -0.0063 1556 ASP 102 CB 0.0098 0.0099 0.0182 1557 ASP 102 CG 0.0149 0.0194 0.0250 1558 ASP 102 OD1 0.0206 0.0265 0.0192 1559 ASP 102 OD2 0.0132 0.0196 0.0363 1560 ASP 102 H 0.0096 0.0052 0.0012 1561 ASP 102 HA 0.0184 0.0194 0.0044 1562 ASP 102 HB3 0.0077 0.0078 0.0226 1563 ASP 102 HB2 0.0056 0.0036 0.0185 1564 PRO 103 N -0.0105 -0.0271 -0.0134 1565 PRO 103 CA -0.0025 -0.0115 -0.0007 1566 PRO 103 C 0.0148 -0.0176 0.0012 1567 PRO 103 O 0.0136 -0.0080 0.0070 1568 PRO 103 CB 0.0059 0.0005 0.0099 1569 PRO 103 CG -0.0074 -0.0028 0.0033 1570 PRO 103 CD -0.0115 -0.0236 -0.0115 1571 PRO 103 HA -0.0167 -0.0024 0.0005 1572 PRO 103 HB3 0.0027 0.0160 0.0188 1573 PRO 103 HB2 0.0233 -0.0053 0.0120 1574 PRO 103 HG3 -0.0232 0.0073 0.0045 1575 PRO 103 HG2 0.0022 -0.0015 0.0073 1576 PRO 103 HD2 0.0019 -0.0335 -0.0134 1577 PRO 103 HD3 -0.0281 -0.0245 -0.0176 1578 GLN 104 N 0.0096 -0.0112 -0.0003 1579 GLN 104 CA 0.0056 -0.0133 0.0002 1580 GLN 104 C 0.0168 -0.0125 -0.0012 1581 GLN 104 O 0.0165 -0.0168 -0.0013 1582 GLN 104 CB -0.0031 -0.0022 0.0016 1583 GLN 104 CG -0.0167 -0.0043 0.0033 1584 GLN 104 CD -0.0240 0.0061 0.0046 1585 GLN 104 OE1 -0.0326 0.0034 0.0056 1586 GLN 104 NE2 -0.0199 0.0179 0.0044 1587 GLN 104 H 0.0064 -0.0034 0.0004 1588 GLN 104 HA 0.0008 -0.0224 0.0006 1589 GLN 104 HB3 0.0001 0.0015 0.0013 1590 GLN 104 HB2 -0.0011 0.0060 0.0016 1591 GLN 104 HG3 -0.0203 -0.0053 0.0038 1592 GLN 104 HG2 -0.0186 -0.0134 0.0033 1593 GLN 104 HE22 -0.0243 0.0252 0.0052 1594 GLN 104 HE21 -0.0124 0.0195 0.0035 1595 GLY 105 N 0.0133 -0.0054 -0.0042 1596 GLY 105 CA 0.0159 -0.0053 -0.0048 1597 GLY 105 C 0.0138 -0.0034 -0.0036 1598 GLY 105 O 0.0116 -0.0004 -0.0021 1599 GLY 105 H 0.0142 -0.0038 -0.0039 1600 GLY 105 HA3 0.0167 -0.0084 -0.0060 1601 GLY 105 HA2 0.0189 -0.0035 -0.0049 1602 ILE 106 N 0.0128 -0.0009 -0.0033 1603 ILE 106 CA 0.0102 0.0010 -0.0017 1604 ILE 106 C 0.0072 0.0012 -0.0027 1605 ILE 106 O 0.0049 0.0029 -0.0013 1606 ILE 106 CB 0.0095 0.0013 -0.0016 1607 ILE 106 CG1 0.0074 0.0034 0.0006 1608 ILE 106 CG2 0.0082 -0.0003 -0.0045 1609 ILE 106 CD1 0.0080 0.0040 0.0016 1610 ILE 106 H 0.0134 -0.0020 -0.0046 1611 ILE 106 HA 0.0111 0.0022 0.0005 1612 ILE 106 HB 0.0119 0.0010 -0.0010 1613 ILE 106 HG13 0.0079 0.0045 0.0024 1614 ILE 106 HG12 0.0049 0.0036 -0.0003 1615 ILE 106 HG21 0.0077 -0.0001 -0.0043 1616 ILE 106 HG22 0.0099 -0.0018 -0.0059 1617 ILE 106 HG23 0.0059 -0.0002 -0.0053 1618 ILE 106 HD11 0.0064 0.0055 0.0032 1619 ILE 106 HD12 0.0106 0.0039 0.0026 1620 ILE 106 HD13 0.0075 0.0029 -0.0001 1621 ARG 107 N 0.0179 0.0082 0.0002 1622 ARG 107 CA 0.0023 0.0079 -0.0012 1623 ARG 107 C -0.0049 0.0197 0.0008 1624 ARG 107 O -0.0181 0.0218 0.0001 1625 ARG 107 CB -0.0032 -0.0063 -0.0048 1626 ARG 107 CG 0.0013 -0.0181 -0.0070 1627 ARG 107 CD -0.0032 -0.0325 -0.0106 1628 ARG 107 NE 0.0049 -0.0436 -0.0123 1629 ARG 107 CZ 0.0192 -0.0427 -0.0109 1630 ARG 107 NH1 0.0271 -0.0381 -0.0092 1631 ARG 107 NH2 0.0257 -0.0463 -0.0111 1632 ARG 107 H 0.0234 0.0006 -0.0010 1633 ARG 107 HA -0.0006 0.0091 -0.0012 1634 ARG 107 HB3 -0.0148 -0.0058 -0.0057 1635 ARG 107 HB2 0.0010 -0.0085 -0.0049 1636 ARG 107 HG3 0.0128 -0.0181 -0.0060 1637 ARG 107 HG2 -0.0035 -0.0162 -0.0070 1638 ARG 107 HD3 -0.0147 -0.0338 -0.0118 1639 ARG 107 HD2 -0.0009 -0.0333 -0.0105 1640 ARG 107 HE -0.0002 -0.0518 -0.0146 1641 ARG 107 HH12 0.0378 -0.0374 -0.0081 1642 ARG 107 HH11 0.0223 -0.0353 -0.0090 1643 ARG 107 HH22 0.0364 -0.0455 -0.0100 1644 ARG 107 HH21 0.0199 -0.0498 -0.0124 1645 ALA 108 N 0.0051 0.0140 0.0004 1646 ALA 108 CA 0.0044 0.0155 0.0007 1647 ALA 108 C 0.0025 0.0186 0.0010 1648 ALA 108 O 0.0009 0.0198 0.0005 1649 ALA 108 CB 0.0069 0.0155 0.0026 1650 ALA 108 H 0.0071 0.0132 0.0014 1651 ALA 108 HA 0.0033 0.0143 -0.0009 1652 ALA 108 HB1 0.0062 0.0166 0.0028 1653 ALA 108 HB2 0.0081 0.0132 0.0023 1654 ALA 108 HB3 0.0080 0.0167 0.0042 1655 TRP 109 N -0.0002 0.0137 -0.0028 1656 TRP 109 CA -0.0002 0.0146 -0.0030 1657 TRP 109 C 0.0002 0.0164 -0.0040 1658 TRP 109 O -0.0002 0.0176 -0.0036 1659 TRP 109 CB -0.0010 0.0150 -0.0015 1660 TRP 109 CG -0.0014 0.0136 -0.0005 1661 TRP 109 CD1 -0.0013 0.0128 -0.0005 1662 TRP 109 CD2 -0.0021 0.0126 0.0008 1663 TRP 109 NE1 -0.0019 0.0116 0.0006 1664 TRP 109 CE2 -0.0023 0.0114 0.0015 1665 TRP 109 CE3 -0.0024 0.0128 0.0015 1666 TRP 109 CZ2 -0.0029 0.0103 0.0028 1667 TRP 109 CZ3 -0.0030 0.0117 0.0028 1668 TRP 109 CH2 -0.0033 0.0105 0.0035 1669 TRP 109 H -0.0008 0.0141 -0.0019 1670 TRP 109 HA 0.0002 0.0137 -0.0037 1671 TRP 109 HB3 -0.0010 0.0160 -0.0017 1672 TRP 109 HB2 -0.0015 0.0158 -0.0008 1673 TRP 109 HD1 -0.0009 0.0133 -0.0014 1674 TRP 109 HE1 -0.0019 0.0109 0.0008 1675 TRP 109 HE3 -0.0023 0.0137 0.0011 1676 TRP 109 HZ2 -0.0031 0.0093 0.0033 1677 TRP 109 HZ3 -0.0033 0.0118 0.0033 1678 TRP 109 HH2 -0.0038 0.0097 0.0045 1679 VAL 110 N -0.0037 0.0304 0.0022 1680 VAL 110 CA 0.0012 0.0263 0.0097 1681 VAL 110 C -0.0076 0.0111 0.0023 1682 VAL 110 O -0.0079 0.0127 0.0015 1683 VAL 110 CB 0.0141 0.0218 0.0275 1684 VAL 110 CG1 0.0230 0.0353 0.0354 1685 VAL 110 CG2 0.0138 0.0006 0.0329 1686 VAL 110 H 0.0007 0.0285 0.0083 1687 VAL 110 HA 0.0021 0.0397 0.0072 1688 VAL 110 HB 0.0174 0.0246 0.0311 1689 VAL 110 HG11 0.0319 0.0311 0.0481 1690 VAL 110 HG12 0.0240 0.0501 0.0327 1691 VAL 110 HG13 0.0197 0.0348 0.0313 1692 VAL 110 HG21 0.0232 -0.0017 0.0458 1693 VAL 110 HG22 0.0094 -0.0041 0.0284 1694 VAL 110 HG23 0.0088 -0.0077 0.0286 1695 ALA 111 N -0.0023 0.0060 0.0016 1696 ALA 111 CA -0.0049 0.0026 0.0000 1697 ALA 111 C -0.0082 0.0058 -0.0031 1698 ALA 111 O -0.0092 0.0047 -0.0037 1699 ALA 111 CB -0.0072 -0.0024 -0.0011 1700 ALA 111 H -0.0023 0.0048 0.0018 1701 ALA 111 HA -0.0027 0.0012 0.0020 1702 ALA 111 HB1 -0.0091 -0.0049 -0.0023 1703 ALA 111 HB2 -0.0049 -0.0049 0.0011 1704 ALA 111 HB3 -0.0094 -0.0011 -0.0031 1705 TRP 112 N -0.0084 0.0180 -0.0017 1706 TRP 112 CA -0.0068 0.0160 -0.0019 1707 TRP 112 C -0.0084 0.0139 -0.0039 1708 TRP 112 O -0.0084 0.0131 -0.0042 1709 TRP 112 CB -0.0040 0.0146 -0.0012 1710 TRP 112 CG -0.0022 0.0127 -0.0012 1711 TRP 112 CD1 -0.0004 0.0134 0.0001 1712 TRP 112 CD2 -0.0021 0.0098 -0.0027 1713 TRP 112 NE1 0.0008 0.0110 -0.0005 1714 TRP 112 CE2 -0.0002 0.0088 -0.0022 1715 TRP 112 CE3 -0.0034 0.0079 -0.0043 1716 TRP 112 CZ2 0.0004 0.0060 -0.0033 1717 TRP 112 CZ3 -0.0029 0.0051 -0.0055 1718 TRP 112 CH2 -0.0010 0.0042 -0.0049 1719 TRP 112 H -0.0078 0.0181 -0.0014 1720 TRP 112 HA -0.0063 0.0172 -0.0011 1721 TRP 112 HB3 -0.0044 0.0134 -0.0020 1722 TRP 112 HB2 -0.0029 0.0162 0.0002 1723 TRP 112 HD1 -0.0001 0.0155 0.0013 1724 TRP 112 HE1 0.0022 0.0112 0.0003 1725 TRP 112 HE3 -0.0049 0.0086 -0.0047 1726 TRP 112 HZ2 0.0019 0.0053 -0.0029 1727 TRP 112 HZ3 -0.0039 0.0037 -0.0068 1728 TRP 112 HH2 -0.0006 0.0020 -0.0059 1729 ARG 113 N -0.0176 0.0168 -0.0039 1730 ARG 113 CA -0.0157 0.0211 -0.0080 1731 ARG 113 C -0.0191 0.0208 -0.0080 1732 ARG 113 O -0.0214 0.0244 -0.0118 1733 ARG 113 CB -0.0080 0.0215 -0.0078 1734 ARG 113 CG -0.0038 0.0216 -0.0075 1735 ARG 113 CD 0.0037 0.0220 -0.0072 1736 ARG 113 NE 0.0077 0.0199 -0.0047 1737 ARG 113 CZ 0.0140 0.0187 -0.0030 1738 ARG 113 NH1 0.0172 0.0195 -0.0035 1739 ARG 113 NH2 0.0171 0.0168 -0.0008 1740 ARG 113 H -0.0140 0.0145 -0.0013 1741 ARG 113 HA -0.0172 0.0243 -0.0113 1742 ARG 113 HB3 -0.0067 0.0248 -0.0109 1743 ARG 113 HB2 -0.0066 0.0186 -0.0047 1744 ARG 113 HG3 -0.0050 0.0184 -0.0044 1745 ARG 113 HG2 -0.0050 0.0247 -0.0107 1746 ARG 113 HD3 0.0054 0.0257 -0.0108 1747 ARG 113 HD2 0.0045 0.0202 -0.0053 1748 ARG 113 HE 0.0053 0.0193 -0.0044 1749 ARG 113 HH12 0.0220 0.0186 -0.0022 1750 ARG 113 HH11 0.0148 0.0210 -0.0053 1751 ARG 113 HH22 0.0220 0.0159 0.0005 1752 ARG 113 HH21 0.0147 0.0162 -0.0005 1753 ASN 114 N -0.0035 0.0377 -0.0071 1754 ASN 114 CA 0.0049 0.0263 -0.0030 1755 ASN 114 C -0.0233 0.0211 -0.0116 1756 ASN 114 O -0.0202 0.0280 -0.0114 1757 ASN 114 CB 0.0221 -0.0069 0.0067 1758 ASN 114 CG 0.0512 -0.0071 0.0164 1759 ASN 114 OD1 0.0639 0.0164 0.0177 1760 ASN 114 ND2 0.0613 -0.0386 0.0235 1761 ASN 114 H -0.0022 0.0220 -0.0048 1762 ASN 114 HA 0.0212 0.0450 0.0001 1763 ASN 114 HB3 0.0283 -0.0142 0.0097 1764 ASN 114 HB2 0.0053 -0.0267 0.0036 1765 ASN 114 HD22 0.0808 -0.0421 0.0303 1766 ASN 114 HD21 0.0492 -0.0583 0.0220 1767 ARG 115 N -0.0005 0.0079 -0.0006 1768 ARG 115 CA -0.0028 0.0108 0.0023 1769 ARG 115 C -0.0101 0.0150 0.0089 1770 ARG 115 O -0.0116 0.0188 0.0118 1771 ARG 115 CB -0.0049 0.0029 -0.0004 1772 ARG 115 CG 0.0020 -0.0015 -0.0069 1773 ARG 115 CD 0.0076 0.0030 -0.0081 1774 ARG 115 NE 0.0139 -0.0021 -0.0146 1775 ARG 115 CZ 0.0197 0.0003 -0.0168 1776 ARG 115 NH1 0.0188 0.0067 -0.0130 1777 ARG 115 NH2 0.0257 -0.0035 -0.0225 1778 ARG 115 H -0.0041 0.0026 -0.0011 1779 ARG 115 HA 0.0025 0.0154 0.0014 1780 ARG 115 HB3 -0.0070 0.0048 0.0018 1781 ARG 115 HB2 -0.0103 -0.0018 0.0005 1782 ARG 115 HG3 -0.0006 -0.0082 -0.0088 1783 ARG 115 HG2 0.0056 -0.0012 -0.0090 1784 ARG 115 HD3 0.0107 0.0095 -0.0066 1785 ARG 115 HD2 0.0040 0.0028 -0.0059 1786 ARG 115 HE 0.0139 -0.0074 -0.0173 1787 ARG 115 HH12 0.0230 0.0089 -0.0145 1788 ARG 115 HH11 0.0140 0.0095 -0.0086 1789 ARG 115 HH22 0.0300 -0.0016 -0.0242 1790 ARG 115 HH21 0.0260 -0.0084 -0.0252 1791 CYS 116 N -0.0095 0.0107 -0.0081 1792 CYS 116 CA -0.0064 0.0093 -0.0080 1793 CYS 116 C -0.0056 0.0060 -0.0108 1794 CYS 116 O -0.0045 0.0047 -0.0116 1795 CYS 116 CB -0.0029 0.0099 -0.0057 1796 CYS 116 SG -0.0035 0.0138 -0.0021 1797 CYS 116 H -0.0094 0.0101 -0.0087 1798 CYS 116 HA -0.0070 0.0101 -0.0075 1799 CYS 116 HB3 -0.0007 0.0090 -0.0055 1800 CYS 116 HB2 -0.0020 0.0088 -0.0063 1801 GLN 117 N -0.0099 0.0185 -0.0088 1802 GLN 117 CA -0.0097 0.0085 -0.0105 1803 GLN 117 C -0.0116 0.0086 -0.0124 1804 GLN 117 O -0.0165 0.0142 -0.0169 1805 GLN 117 CB -0.0148 0.0031 -0.0170 1806 GLN 117 CG -0.0152 -0.0074 -0.0193 1807 GLN 117 CD -0.0192 -0.0130 -0.0248 1808 GLN 117 OE1 -0.0176 -0.0228 -0.0248 1809 GLN 117 NE2 -0.0236 -0.0088 -0.0288 1810 GLN 117 H -0.0130 0.0206 -0.0119 1811 GLN 117 HA -0.0047 0.0045 -0.0056 1812 GLN 117 HB3 -0.0199 0.0074 -0.0217 1813 GLN 117 HB2 -0.0136 0.0031 -0.0157 1814 GLN 117 HG3 -0.0101 -0.0113 -0.0144 1815 GLN 117 HG2 -0.0175 -0.0073 -0.0218 1816 GLN 117 HE22 -0.0262 -0.0127 -0.0323 1817 GLN 117 HE21 -0.0247 -0.0014 -0.0286 1818 ASN 118 N -0.0196 -0.0034 0.0035 1819 ASN 118 CA -0.0080 0.0010 0.0174 1820 ASN 118 C 0.0088 0.0009 0.0135 1821 ASN 118 O 0.0219 0.0038 0.0213 1822 ASN 118 CB -0.0048 0.0031 0.0241 1823 ASN 118 CG -0.0211 0.0037 0.0298 1824 ASN 118 OD1 -0.0320 0.0053 0.0382 1825 ASN 118 ND2 -0.0231 0.0022 0.0250 1826 ASN 118 H -0.0313 -0.0038 0.0047 1827 ASN 118 HA -0.0142 0.0034 0.0274 1828 ASN 118 HB3 0.0041 0.0064 0.0345 1829 ASN 118 HB2 0.0017 0.0008 0.0146 1830 ASN 118 HD22 -0.0338 0.0026 0.0285 1831 ASN 118 HD21 -0.0140 0.0008 0.0179 1832 ARG 119 N -0.0041 -0.0185 -0.0136 1833 ARG 119 CA 0.0013 -0.0215 -0.0160 1834 ARG 119 C 0.0056 -0.0216 -0.0205 1835 ARG 119 O 0.0040 -0.0183 -0.0228 1836 ARG 119 CB 0.0014 -0.0187 -0.0194 1837 ARG 119 CG -0.0016 -0.0190 -0.0158 1838 ARG 119 CD -0.0004 -0.0170 -0.0195 1839 ARG 119 NE -0.0048 -0.0155 -0.0164 1840 ARG 119 CZ -0.0037 -0.0172 -0.0156 1841 ARG 119 NH1 0.0012 -0.0211 -0.0163 1842 ARG 119 NH2 -0.0079 -0.0150 -0.0137 1843 ARG 119 H -0.0055 -0.0149 -0.0164 1844 ARG 119 HA 0.0026 -0.0255 -0.0126 1845 ARG 119 HB3 0.0057 -0.0203 -0.0222 1846 ARG 119 HB2 -0.0003 -0.0146 -0.0225 1847 ARG 119 HG3 -0.0060 -0.0165 -0.0138 1848 ARG 119 HG2 -0.0003 -0.0230 -0.0124 1849 ARG 119 HD3 0.0036 -0.0202 -0.0200 1850 ARG 119 HD2 -0.0003 -0.0136 -0.0237 1851 ARG 119 HE -0.0088 -0.0131 -0.0150 1852 ARG 119 HH12 0.0020 -0.0224 -0.0156 1853 ARG 119 HH11 0.0043 -0.0229 -0.0175 1854 ARG 119 HH22 -0.0073 -0.0161 -0.0130 1855 ARG 119 HH21 -0.0117 -0.0121 -0.0129 1856 ASP 120 N 0.0263 0.0109 0.0477 1857 ASP 120 CA 0.0115 0.0065 0.0208 1858 ASP 120 C 0.0082 -0.0055 0.0172 1859 ASP 120 O 0.0112 -0.0282 0.0279 1860 ASP 120 CB 0.0063 -0.0172 0.0162 1861 ASP 120 CG -0.0088 -0.0205 -0.0115 1862 ASP 120 OD1 -0.0149 -0.0096 -0.0254 1863 ASP 120 OD2 -0.0144 -0.0356 -0.0187 1864 ASP 120 H 0.0306 -0.0028 0.0589 1865 ASP 120 HA 0.0077 0.0255 0.0092 1866 ASP 120 HB3 0.0087 -0.0368 0.0251 1867 ASP 120 HB2 0.0112 -0.0118 0.0242 1868 VAL 121 N 0.0013 -0.0036 -0.0003 1869 VAL 121 CA 0.0019 -0.0023 0.0013 1870 VAL 121 C 0.0028 -0.0022 0.0010 1871 VAL 121 O 0.0036 -0.0011 0.0022 1872 VAL 121 CB 0.0032 -0.0012 0.0022 1873 VAL 121 CG1 0.0021 -0.0012 0.0029 1874 VAL 121 CG2 0.0052 -0.0014 0.0009 1875 VAL 121 H 0.0024 -0.0039 -0.0013 1876 VAL 121 HA 0.0005 -0.0022 0.0023 1877 VAL 121 HB 0.0036 -0.0003 0.0033 1878 VAL 121 HG11 0.0031 -0.0004 0.0035 1879 VAL 121 HG12 0.0008 -0.0010 0.0039 1880 VAL 121 HG13 0.0016 -0.0021 0.0018 1881 VAL 121 HG21 0.0061 -0.0006 0.0016 1882 VAL 121 HG22 0.0049 -0.0023 -0.0003 1883 VAL 121 HG23 0.0060 -0.0013 0.0005 1884 ARG 122 N -0.0136 -0.0101 -0.0091 1885 ARG 122 CA -0.0102 -0.0086 -0.0035 1886 ARG 122 C -0.0068 -0.0024 -0.0058 1887 ARG 122 O -0.0050 -0.0014 -0.0029 1888 ARG 122 CB -0.0076 -0.0091 0.0033 1889 ARG 122 CG -0.0027 -0.0027 0.0047 1890 ARG 122 CD 0.0005 -0.0030 0.0126 1891 ARG 122 NE -0.0000 -0.0054 0.0153 1892 ARG 122 CZ -0.0042 -0.0098 0.0128 1893 ARG 122 NH1 -0.0079 -0.0153 0.0129 1894 ARG 122 NH2 -0.0045 -0.0087 0.0102 1895 ARG 122 H -0.0137 -0.0109 -0.0082 1896 ARG 122 HA -0.0122 -0.0123 -0.0023 1897 ARG 122 HB3 -0.0097 -0.0119 0.0030 1898 ARG 122 HB2 -0.0076 -0.0117 0.0077 1899 ARG 122 HG3 -0.0012 0.0008 0.0023 1900 ARG 122 HG2 -0.0027 -0.0013 0.0022 1901 ARG 122 HD3 -0.0005 -0.0061 0.0154 1902 ARG 122 HD2 0.0041 0.0017 0.0136 1903 ARG 122 HE 0.0028 -0.0036 0.0192 1904 ARG 122 HH12 -0.0110 -0.0187 0.0110 1905 ARG 122 HH11 -0.0076 -0.0160 0.0148 1906 ARG 122 HH22 -0.0076 -0.0120 0.0083 1907 ARG 122 HH21 -0.0016 -0.0045 0.0102 1908 GLN 123 N -0.0019 0.0073 0.0005 1909 GLN 123 CA -0.0038 0.0034 0.0017 1910 GLN 123 C -0.0035 0.0023 0.0029 1911 GLN 123 O -0.0058 -0.0002 0.0026 1912 GLN 123 CB -0.0030 0.0012 0.0046 1913 GLN 123 CG 0.0002 0.0014 0.0080 1914 GLN 123 CD 0.0012 -0.0002 0.0106 1915 GLN 123 OE1 0.0038 0.0016 0.0119 1916 GLN 123 NE2 -0.0006 -0.0037 0.0117 1917 GLN 123 H -0.0003 0.0081 0.0016 1918 GLN 123 HA -0.0062 0.0027 -0.0004 1919 GLN 123 HB3 -0.0030 0.0022 0.0037 1920 GLN 123 HB2 -0.0049 -0.0016 0.0048 1921 GLN 123 HG3 0.0000 -0.0001 0.0091 1922 GLN 123 HG2 0.0020 0.0041 0.0077 1923 GLN 123 HE22 0.0000 -0.0049 0.0134 1924 GLN 123 HE21 -0.0025 -0.0052 0.0107 1925 TYR 124 N -0.0021 0.0029 0.0052 1926 TYR 124 CA -0.0013 0.0026 0.0068 1927 TYR 124 C -0.0019 0.0028 0.0056 1928 TYR 124 O -0.0020 0.0020 0.0069 1929 TYR 124 CB 0.0012 0.0037 0.0083 1930 TYR 124 CG 0.0017 0.0033 0.0098 1931 TYR 124 CD1 0.0011 0.0016 0.0119 1932 TYR 124 CD2 0.0027 0.0045 0.0090 1933 TYR 124 CE1 0.0016 0.0012 0.0133 1934 TYR 124 CE2 0.0031 0.0041 0.0103 1935 TYR 124 CZ 0.0025 0.0024 0.0125 1936 TYR 124 OH 0.0030 0.0020 0.0138 1937 TYR 124 H -0.0009 0.0040 0.0048 1938 TYR 124 HA -0.0023 0.0012 0.0082 1939 TYR 124 HB3 0.0016 0.0034 0.0095 1940 TYR 124 HB2 0.0022 0.0052 0.0070 1941 TYR 124 HD1 0.0002 0.0006 0.0126 1942 TYR 124 HD2 0.0032 0.0057 0.0073 1943 TYR 124 HE1 0.0012 -0.0000 0.0150 1944 TYR 124 HE2 0.0040 0.0050 0.0097 1945 TYR 124 HH 0.0036 0.0030 0.0129 1946 VAL 125 N -0.0023 -0.0014 0.0049 1947 VAL 125 CA -0.0027 -0.0012 0.0040 1948 VAL 125 C -0.0050 -0.0018 0.0024 1949 VAL 125 O -0.0056 -0.0017 0.0015 1950 VAL 125 CB -0.0011 0.0005 0.0027 1951 VAL 125 CG1 0.0012 0.0011 0.0044 1952 VAL 125 CG2 -0.0010 0.0016 0.0008 1953 VAL 125 H -0.0022 -0.0008 0.0039 1954 VAL 125 HA -0.0026 -0.0019 0.0054 1955 VAL 125 HB -0.0016 0.0006 0.0019 1956 VAL 125 HG11 0.0023 0.0023 0.0034 1957 VAL 125 HG12 0.0011 0.0003 0.0057 1958 VAL 125 HG13 0.0017 0.0010 0.0052 1959 VAL 125 HG21 0.0002 0.0029 -0.0001 1960 VAL 125 HG22 -0.0006 0.0015 0.0015 1961 VAL 125 HG23 -0.0026 0.0012 -0.0004 1962 GLN 126 N -0.0027 -0.0105 0.0105 1963 GLN 126 CA -0.0094 -0.0006 0.0173 1964 GLN 126 C -0.0136 0.0045 0.0332 1965 GLN 126 O -0.0158 0.0078 0.0356 1966 GLN 126 CB -0.0162 0.0111 0.0049 1967 GLN 126 CG -0.0219 0.0201 0.0028 1968 GLN 126 CD -0.0312 0.0349 -0.0001 1969 GLN 126 OE1 -0.0341 0.0406 -0.0132 1970 GLN 126 NE2 -0.0358 0.0410 0.0122 1971 GLN 126 H -0.0031 -0.0088 -0.0001 1972 GLN 126 HA -0.0064 -0.0055 0.0191 1973 GLN 126 HB3 -0.0130 0.0070 -0.0066 1974 GLN 126 HB2 -0.0204 0.0173 0.0084 1975 GLN 126 HG3 -0.0219 0.0192 0.0135 1976 GLN 126 HG2 -0.0192 0.0168 -0.0074 1977 GLN 126 HE22 -0.0420 0.0508 0.0110 1978 GLN 126 HE21 -0.0331 0.0358 0.0227 1979 GLY 127 N -0.0032 0.0056 0.0130 1980 GLY 127 CA 0.0051 0.0145 0.0150 1981 GLY 127 C -0.0104 -0.0023 0.0042 1982 GLY 127 O -0.0046 0.0038 0.0026 1983 GLY 127 H -0.0092 -0.0000 0.0341 1984 GLY 127 HA3 0.0209 0.0307 0.0012 1985 GLY 127 HA2 0.0101 0.0206 0.0399 1986 CYS 128 N -0.0100 -0.0060 -0.0037 1987 CYS 128 CA -0.0087 -0.0051 -0.0025 1988 CYS 128 C -0.0075 -0.0043 -0.0039 1989 CYS 128 O -0.0066 -0.0036 -0.0029 1990 CYS 128 CB -0.0075 -0.0042 -0.0010 1991 CYS 128 SG -0.0088 -0.0050 0.0011 1992 CYS 128 H -0.0096 -0.0058 -0.0042 1993 CYS 128 HA -0.0096 -0.0057 -0.0014 1994 CYS 128 HB3 -0.0066 -0.0035 -0.0001 1995 CYS 128 HB2 -0.0067 -0.0037 -0.0019 1996 GLY 129 N -0.0019 -0.0061 -0.0163 1997 GLY 129 CA 0.0315 -0.0143 -0.0124 1998 GLY 129 C 0.0395 -0.0275 -0.0164 1999 GLY 129 O 0.0655 -0.0253 -0.0097 2000 GLY 129 H -0.0143 -0.0203 -0.0252 2001 GLY 129 HA3 0.0446 0.0050 -0.0011 2002 GLY 129 HA2 0.0402 -0.0299 -0.0173 2003 VAL 130 N 0.0011 -0.0001 -0.0038 2004 VAL 130 CA -0.0008 0.0028 -0.0026 2005 VAL 130 C -0.0011 0.0051 0.0002 2006 VAL 130 O -0.0026 0.0077 0.0015 2007 VAL 130 CB 0.0000 0.0028 -0.0014 2008 VAL 130 CG1 -0.0002 0.0010 -0.0042 2009 VAL 130 CG2 0.0029 0.0015 0.0017 2010 VAL 130 OXT 0.0003 0.0040 0.0010 2011 VAL 130 H 0.0030 -0.0013 -0.0022 2012 VAL 130 HA -0.0028 0.0037 -0.0048 2013 VAL 130 HB -0.0014 0.0051 -0.0004 2014 VAL 130 HG11 0.0004 0.0010 -0.0032 2015 VAL 130 HG12 -0.0022 0.0021 -0.0062 2016 VAL 130 HG13 0.0012 -0.0013 -0.0053 2017 VAL 130 HG21 0.0035 0.0014 0.0026 2018 VAL 130 HG22 0.0043 -0.0008 0.0008 2019 VAL 130 HG23 0.0029 0.0029 0.0038