1 LYS 1 N 0.0047 -0.0190 -0.0099 2 LYS 1 CA 0.0085 -0.0221 -0.0106 3 LYS 1 C 0.0091 -0.0252 -0.0060 4 LYS 1 O 0.0065 -0.0246 -0.0026 5 LYS 1 CB 0.0084 -0.0211 -0.0125 6 LYS 1 CG 0.0113 -0.0238 -0.0126 7 LYS 1 CD 0.0107 -0.0221 -0.0145 8 LYS 1 CE 0.0137 -0.0249 -0.0145 9 LYS 1 NZ 0.0134 -0.0233 -0.0170 10 LYS 1 H1 0.0042 -0.0170 -0.0130 11 LYS 1 H2 0.0046 -0.0196 -0.0085 12 LYS 1 H3 0.0027 -0.0183 -0.0078 13 LYS 1 HA 0.0107 -0.0229 -0.0130 14 LYS 1 HB3 0.0056 -0.0194 -0.0107 15 LYS 1 HB2 0.0081 -0.0190 -0.0159 16 LYS 1 HG3 0.0141 -0.0252 -0.0146 17 LYS 1 HG2 0.0115 -0.0257 -0.0091 18 LYS 1 HD3 0.0079 -0.0206 -0.0125 19 LYS 1 HD2 0.0106 -0.0202 -0.0180 20 LYS 1 HE3 0.0165 -0.0267 -0.0160 21 LYS 1 HE2 0.0134 -0.0266 -0.0110 22 LYS 1 HZ1 0.0156 -0.0253 -0.0171 23 LYS 1 HZ2 0.0135 -0.0217 -0.0202 24 LYS 1 HZ3 0.0109 -0.0219 -0.0154 25 VAL 2 N 0.0093 -0.0300 -0.0082 26 VAL 2 CA 0.0108 -0.0327 -0.0042 27 VAL 2 C 0.0122 -0.0339 -0.0055 28 VAL 2 O 0.0146 -0.0355 -0.0088 29 VAL 2 CB 0.0136 -0.0361 -0.0028 30 VAL 2 CG1 0.0149 -0.0387 0.0016 31 VAL 2 CG2 0.0121 -0.0349 -0.0016 32 VAL 2 H 0.0109 -0.0309 -0.0112 33 VAL 2 HA 0.0087 -0.0314 -0.0010 34 VAL 2 HB 0.0157 -0.0375 -0.0059 35 VAL 2 HG11 0.0169 -0.0411 0.0025 36 VAL 2 HG12 0.0159 -0.0395 0.0007 37 VAL 2 HG13 0.0127 -0.0372 0.0047 38 VAL 2 HG21 0.0141 -0.0373 -0.0006 39 VAL 2 HG22 0.0099 -0.0334 0.0015 40 VAL 2 HG23 0.0113 -0.0331 -0.0048 41 PHE 3 N 0.0114 -0.0259 0.0040 42 PHE 3 CA 0.0124 -0.0268 0.0026 43 PHE 3 C 0.0137 -0.0299 0.0034 44 PHE 3 O 0.0135 -0.0311 0.0058 45 PHE 3 CB 0.0113 -0.0255 0.0037 46 PHE 3 CG 0.0102 -0.0227 0.0023 47 PHE 3 CD1 0.0087 -0.0206 0.0031 48 PHE 3 CD2 0.0107 -0.0221 0.0002 49 PHE 3 CE1 0.0078 -0.0179 0.0018 50 PHE 3 CE2 0.0098 -0.0195 -0.0011 51 PHE 3 CZ 0.0083 -0.0174 -0.0002 52 PHE 3 H 0.0102 -0.0250 0.0057 53 PHE 3 HA 0.0129 -0.0262 0.0003 54 PHE 3 HB3 0.0121 -0.0268 0.0034 55 PHE 3 HB2 0.0104 -0.0257 0.0060 56 PHE 3 HD1 0.0083 -0.0209 0.0047 57 PHE 3 HD2 0.0118 -0.0237 -0.0004 58 PHE 3 HE1 0.0067 -0.0163 0.0024 59 PHE 3 HE2 0.0102 -0.0191 -0.0028 60 PHE 3 HZ 0.0075 -0.0153 -0.0011 61 GLU 4 N 0.0151 -0.0344 0.0020 62 GLU 4 CA 0.0188 -0.0381 0.0048 63 GLU 4 C 0.0162 -0.0309 0.0103 64 GLU 4 O 0.0107 -0.0238 0.0086 65 GLU 4 CB 0.0186 -0.0430 -0.0037 66 GLU 4 CG 0.0213 -0.0503 -0.0091 67 GLU 4 CD 0.0204 -0.0547 -0.0182 68 GLU 4 OE1 0.0231 -0.0586 -0.0182 69 GLU 4 OE2 0.0173 -0.0548 -0.0257 70 GLU 4 H 0.0117 -0.0334 -0.0045 71 GLU 4 HA 0.0236 -0.0423 0.0093 72 GLU 4 HB3 0.0211 -0.0453 -0.0014 73 GLU 4 HB2 0.0138 -0.0389 -0.0083 74 GLU 4 HG3 0.0194 -0.0482 -0.0103 75 GLU 4 HG2 0.0262 -0.0549 -0.0047 76 ARG 5 N 0.0075 -0.0248 0.0128 77 ARG 5 CA 0.0087 -0.0203 0.0114 78 ARG 5 C 0.0057 -0.0185 0.0104 79 ARG 5 O 0.0073 -0.0170 0.0100 80 ARG 5 CB 0.0087 -0.0177 0.0104 81 ARG 5 CG 0.0098 -0.0130 0.0088 82 ARG 5 CD 0.0098 -0.0108 0.0081 83 ARG 5 NE 0.0055 -0.0105 0.0075 84 ARG 5 CZ 0.0026 -0.0073 0.0061 85 ARG 5 NH1 0.0035 -0.0042 0.0051 86 ARG 5 NH2 -0.0013 -0.0073 0.0058 87 ARG 5 H 0.0071 -0.0254 0.0130 88 ARG 5 HA 0.0122 -0.0203 0.0117 89 ARG 5 HB3 0.0054 -0.0181 0.0103 90 ARG 5 HB2 0.0111 -0.0190 0.0111 91 ARG 5 HG3 0.0130 -0.0126 0.0090 92 ARG 5 HG2 0.0072 -0.0116 0.0081 93 ARG 5 HD3 0.0120 -0.0125 0.0089 94 ARG 5 HD2 0.0114 -0.0076 0.0071 95 ARG 5 HE 0.0046 -0.0129 0.0083 96 ARG 5 HH12 0.0013 -0.0018 0.0040 97 ARG 5 HH11 0.0065 -0.0041 0.0054 98 ARG 5 HH22 -0.0034 -0.0049 0.0047 99 ARG 5 HH21 -0.0021 -0.0097 0.0066 100 CYS 6 N 0.0098 -0.0191 0.0090 101 CYS 6 CA 0.0076 -0.0175 0.0082 102 CYS 6 C 0.0069 -0.0191 0.0085 103 CYS 6 O 0.0061 -0.0176 0.0080 104 CYS 6 CB 0.0046 -0.0170 0.0076 105 CYS 6 SG 0.0051 -0.0142 0.0069 106 CYS 6 H 0.0092 -0.0203 0.0092 107 CYS 6 HA 0.0087 -0.0152 0.0078 108 CYS 6 HB3 0.0028 -0.0162 0.0070 109 CYS 6 HB2 0.0036 -0.0192 0.0080 110 GLU 7 N 0.0125 -0.0236 0.0043 111 GLU 7 CA 0.0099 -0.0235 0.0020 112 GLU 7 C 0.0090 -0.0210 0.0038 113 GLU 7 O 0.0061 -0.0193 0.0031 114 GLU 7 CB 0.0114 -0.0267 0.0000 115 GLU 7 CG 0.0090 -0.0270 -0.0024 116 GLU 7 CD 0.0106 -0.0299 -0.0040 117 GLU 7 OE1 0.0138 -0.0313 -0.0028 118 GLU 7 OE2 0.0087 -0.0307 -0.0065 119 GLU 7 H 0.0147 -0.0255 0.0042 120 GLU 7 HA 0.0077 -0.0231 0.0005 121 GLU 7 HB3 0.0136 -0.0271 0.0016 122 GLU 7 HB2 0.0123 -0.0285 -0.0011 123 GLU 7 HG3 0.0070 -0.0270 -0.0042 124 GLU 7 HG2 0.0078 -0.0250 -0.0014 125 LEU 8 N 0.0101 -0.0164 0.0073 126 LEU 8 CA 0.0095 -0.0149 0.0085 127 LEU 8 C 0.0094 -0.0144 0.0085 128 LEU 8 O 0.0089 -0.0127 0.0084 129 LEU 8 CB 0.0093 -0.0153 0.0106 130 LEU 8 CG 0.0087 -0.0138 0.0120 131 LEU 8 CD1 0.0083 -0.0120 0.0113 132 LEU 8 CD2 0.0086 -0.0144 0.0140 133 LEU 8 H 0.0104 -0.0177 0.0079 134 LEU 8 HA 0.0092 -0.0137 0.0080 135 LEU 8 HB3 0.0096 -0.0166 0.0111 136 LEU 8 HB2 0.0095 -0.0157 0.0106 137 LEU 8 HG 0.0086 -0.0134 0.0120 138 LEU 8 HD11 0.0079 -0.0110 0.0123 139 LEU 8 HD12 0.0084 -0.0116 0.0099 140 LEU 8 HD13 0.0084 -0.0123 0.0113 141 LEU 8 HD21 0.0082 -0.0133 0.0150 142 LEU 8 HD22 0.0087 -0.0148 0.0140 143 LEU 8 HD23 0.0089 -0.0156 0.0144 144 ALA 9 N 0.0109 -0.0131 0.0108 145 ALA 9 CA 0.0108 -0.0113 0.0096 146 ALA 9 C 0.0100 -0.0109 0.0089 147 ALA 9 O 0.0107 -0.0097 0.0084 148 ALA 9 CB 0.0098 -0.0109 0.0088 149 ALA 9 H 0.0103 -0.0138 0.0110 150 ALA 9 HA 0.0122 -0.0105 0.0097 151 ALA 9 HB1 0.0098 -0.0096 0.0079 152 ALA 9 HB2 0.0105 -0.0111 0.0092 153 ALA 9 HB3 0.0085 -0.0117 0.0086 154 ARG 10 N 0.0121 -0.0145 0.0067 155 ARG 10 CA 0.0105 -0.0137 0.0052 156 ARG 10 C 0.0119 -0.0134 0.0061 157 ARG 10 O 0.0117 -0.0114 0.0050 158 ARG 10 CB 0.0078 -0.0159 0.0043 159 ARG 10 CG 0.0059 -0.0159 0.0028 160 ARG 10 CD 0.0032 -0.0179 0.0019 161 ARG 10 NE 0.0033 -0.0210 0.0033 162 ARG 10 CZ 0.0031 -0.0227 0.0040 163 ARG 10 NH1 0.0027 -0.0216 0.0031 164 ARG 10 NH2 0.0033 -0.0255 0.0054 165 ARG 10 H 0.0115 -0.0165 0.0073 166 ARG 10 HA 0.0101 -0.0115 0.0039 167 ARG 10 HB3 0.0069 -0.0156 0.0035 168 ARG 10 HB2 0.0082 -0.0182 0.0056 169 ARG 10 HG3 0.0066 -0.0166 0.0037 170 ARG 10 HG2 0.0057 -0.0136 0.0016 171 ARG 10 HD3 0.0017 -0.0176 0.0006 172 ARG 10 HD2 0.0026 -0.0174 0.0012 173 ARG 10 HE 0.0034 -0.0219 0.0039 174 ARG 10 HH12 0.0026 -0.0229 0.0037 175 ARG 10 HH11 0.0025 -0.0195 0.0020 176 ARG 10 HH22 0.0032 -0.0267 0.0059 177 ARG 10 HH21 0.0036 -0.0264 0.0060 178 THR 11 N 0.0119 -0.0130 0.0037 179 THR 11 CA 0.0114 -0.0114 0.0037 180 THR 11 C 0.0110 -0.0096 0.0052 181 THR 11 O 0.0103 -0.0078 0.0046 182 THR 11 CB 0.0118 -0.0123 0.0045 183 THR 11 OG1 0.0121 -0.0139 0.0030 184 THR 11 CG2 0.0113 -0.0107 0.0047 185 THR 11 H 0.0125 -0.0144 0.0043 186 THR 11 HA 0.0109 -0.0109 0.0021 187 THR 11 HB 0.0123 -0.0129 0.0061 188 THR 11 HG1 0.0126 -0.0151 0.0033 189 THR 11 HG21 0.0116 -0.0113 0.0052 190 THR 11 HG22 0.0110 -0.0094 0.0058 191 THR 11 HG23 0.0108 -0.0101 0.0031 192 LEU 12 N 0.0127 -0.0058 0.0081 193 LEU 12 CA 0.0124 -0.0053 0.0086 194 LEU 12 C 0.0131 -0.0053 0.0075 195 LEU 12 O 0.0132 -0.0042 0.0075 196 LEU 12 CB 0.0117 -0.0063 0.0098 197 LEU 12 CG 0.0110 -0.0062 0.0111 198 LEU 12 CD1 0.0103 -0.0073 0.0121 199 LEU 12 CD2 0.0109 -0.0046 0.0118 200 LEU 12 H 0.0123 -0.0067 0.0084 201 LEU 12 HA 0.0124 -0.0041 0.0091 202 LEU 12 HB3 0.0116 -0.0060 0.0100 203 LEU 12 HB2 0.0117 -0.0075 0.0093 204 LEU 12 HG 0.0111 -0.0065 0.0109 205 LEU 12 HD11 0.0098 -0.0073 0.0131 206 LEU 12 HD12 0.0103 -0.0085 0.0116 207 LEU 12 HD13 0.0102 -0.0071 0.0123 208 LEU 12 HD21 0.0104 -0.0045 0.0127 209 LEU 12 HD22 0.0109 -0.0042 0.0120 210 LEU 12 HD23 0.0114 -0.0038 0.0111 211 LYS 13 N 0.0158 -0.0058 0.0066 212 LYS 13 CA 0.0162 -0.0057 0.0057 213 LYS 13 C 0.0166 -0.0048 0.0052 214 LYS 13 O 0.0169 -0.0042 0.0049 215 LYS 13 CB 0.0161 -0.0066 0.0050 216 LYS 13 CG 0.0165 -0.0066 0.0041 217 LYS 13 CD 0.0163 -0.0076 0.0037 218 LYS 13 CE 0.0166 -0.0074 0.0030 219 LYS 13 NZ 0.0164 -0.0084 0.0028 220 LYS 13 H 0.0157 -0.0064 0.0066 221 LYS 13 HA 0.0161 -0.0056 0.0059 222 LYS 13 HB3 0.0162 -0.0068 0.0048 223 LYS 13 HB2 0.0158 -0.0072 0.0054 224 LYS 13 HG3 0.0166 -0.0060 0.0043 225 LYS 13 HG2 0.0167 -0.0063 0.0035 226 LYS 13 HD3 0.0163 -0.0080 0.0034 227 LYS 13 HD2 0.0160 -0.0079 0.0044 228 LYS 13 HE3 0.0167 -0.0069 0.0032 229 LYS 13 HE2 0.0169 -0.0073 0.0023 230 LYS 13 HZ1 0.0162 -0.0090 0.0029 231 LYS 13 HZ2 0.0166 -0.0085 0.0021 232 LYS 13 HZ3 0.0162 -0.0084 0.0032 233 ARG 14 N 0.0167 -0.0064 0.0028 234 ARG 14 CA 0.0171 -0.0046 0.0014 235 ARG 14 C 0.0181 -0.0019 0.0031 236 ARG 14 O 0.0186 0.0003 0.0018 237 ARG 14 CB 0.0166 -0.0061 0.0014 238 ARG 14 CG 0.0158 -0.0080 -0.0012 239 ARG 14 CD 0.0155 -0.0086 -0.0018 240 ARG 14 NE 0.0155 -0.0098 0.0007 241 ARG 14 CZ 0.0147 -0.0126 0.0014 242 ARG 14 NH1 0.0140 -0.0144 -0.0003 243 ARG 14 NH2 0.0148 -0.0133 0.0039 244 ARG 14 H 0.0162 -0.0083 0.0035 245 ARG 14 HA 0.0170 -0.0040 -0.0008 246 ARG 14 HB3 0.0171 -0.0046 0.0013 247 ARG 14 HB2 0.0165 -0.0074 0.0034 248 ARG 14 HG3 0.0152 -0.0100 -0.0007 249 ARG 14 HG2 0.0158 -0.0070 -0.0031 250 ARG 14 HD3 0.0149 -0.0101 -0.0036 251 ARG 14 HD2 0.0160 -0.0067 -0.0025 252 ARG 14 HE 0.0160 -0.0085 0.0020 253 ARG 14 HH12 0.0134 -0.0164 0.0002 254 ARG 14 HH11 0.0139 -0.0137 -0.0022 255 ARG 14 HH22 0.0142 -0.0154 0.0045 256 ARG 14 HH21 0.0154 -0.0119 0.0052 257 LEU 15 N 0.0136 -0.0027 0.0040 258 LEU 15 CA 0.0127 -0.0010 0.0050 259 LEU 15 C 0.0122 -0.0006 0.0063 260 LEU 15 O 0.0114 0.0008 0.0072 261 LEU 15 CB 0.0124 -0.0012 0.0062 262 LEU 15 CG 0.0127 -0.0010 0.0050 263 LEU 15 CD1 0.0125 -0.0015 0.0063 264 LEU 15 CD2 0.0124 0.0011 0.0040 265 LEU 15 H 0.0137 -0.0040 0.0047 266 LEU 15 HA 0.0127 0.0002 0.0039 267 LEU 15 HB3 0.0117 -0.0001 0.0073 268 LEU 15 HB2 0.0125 -0.0025 0.0071 269 LEU 15 HG 0.0134 -0.0020 0.0039 270 LEU 15 HD11 0.0127 -0.0013 0.0054 271 LEU 15 HD12 0.0127 -0.0029 0.0069 272 LEU 15 HD13 0.0118 -0.0005 0.0074 273 LEU 15 HD21 0.0126 0.0011 0.0032 274 LEU 15 HD22 0.0117 0.0021 0.0051 275 LEU 15 HD23 0.0126 0.0014 0.0030 276 GLY 16 N 0.0175 0.0008 0.0054 277 GLY 16 CA 0.0182 0.0017 0.0045 278 GLY 16 C 0.0180 0.0014 0.0054 279 GLY 16 O 0.0188 0.0024 0.0051 280 GLY 16 H 0.0167 -0.0002 0.0047 281 GLY 16 HA3 0.0193 0.0030 0.0046 282 GLY 16 HA2 0.0180 0.0015 0.0029 283 MET 17 N 0.0164 0.0004 0.0067 284 MET 17 CA 0.0147 -0.0006 0.0072 285 MET 17 C 0.0144 -0.0027 0.0061 286 MET 17 O 0.0131 -0.0035 0.0064 287 MET 17 CB 0.0131 -0.0002 0.0084 288 MET 17 CG 0.0131 0.0019 0.0096 289 MET 17 SD 0.0124 0.0025 0.0104 290 MET 17 CE 0.0100 0.0026 0.0119 291 MET 17 H 0.0165 0.0007 0.0068 292 MET 17 HA 0.0146 0.0000 0.0076 293 MET 17 HB3 0.0118 -0.0010 0.0087 294 MET 17 HB2 0.0132 -0.0006 0.0081 295 MET 17 HG3 0.0122 0.0022 0.0103 296 MET 17 HG2 0.0145 0.0027 0.0092 297 MET 17 HE1 0.0094 0.0030 0.0125 298 MET 17 HE2 0.0101 0.0037 0.0125 299 MET 17 HE3 0.0092 0.0013 0.0116 300 ASP 18 N 0.0192 -0.0014 0.0050 301 ASP 18 CA 0.0187 -0.0026 0.0040 302 ASP 18 C 0.0195 -0.0024 0.0032 303 ASP 18 O 0.0205 -0.0020 0.0024 304 ASP 18 CB 0.0187 -0.0033 0.0030 305 ASP 18 CG 0.0180 -0.0045 0.0021 306 ASP 18 OD1 0.0171 -0.0050 0.0025 307 ASP 18 OD2 0.0182 -0.0051 0.0011 308 ASP 18 H 0.0196 -0.0011 0.0049 309 ASP 18 HA 0.0178 -0.0031 0.0045 310 ASP 18 HB3 0.0196 -0.0029 0.0023 311 ASP 18 HB2 0.0183 -0.0032 0.0036 312 GLY 19 N 0.0210 -0.0008 -0.0013 313 GLY 19 CA 0.0224 -0.0012 -0.0029 314 GLY 19 C 0.0239 0.0012 -0.0014 315 GLY 19 O 0.0254 0.0012 -0.0028 316 GLY 19 H 0.0186 -0.0014 -0.0001 317 GLY 19 HA3 0.0241 -0.0018 -0.0052 318 GLY 19 HA2 0.0205 -0.0029 -0.0034 319 TYR 20 N 0.0171 0.0035 0.0015 320 TYR 20 CA 0.0172 0.0044 0.0019 321 TYR 20 C 0.0160 0.0038 0.0020 322 TYR 20 O 0.0147 0.0036 0.0024 323 TYR 20 CB 0.0170 0.0059 0.0028 324 TYR 20 CG 0.0173 0.0069 0.0032 325 TYR 20 CD1 0.0188 0.0075 0.0031 326 TYR 20 CD2 0.0162 0.0072 0.0037 327 TYR 20 CE1 0.0192 0.0084 0.0034 328 TYR 20 CE2 0.0166 0.0081 0.0041 329 TYR 20 CZ 0.0181 0.0087 0.0039 330 TYR 20 OH 0.0184 0.0096 0.0042 331 TYR 20 H 0.0167 0.0038 0.0018 332 TYR 20 HA 0.0184 0.0044 0.0016 333 TYR 20 HB3 0.0158 0.0059 0.0032 334 TYR 20 HB2 0.0177 0.0063 0.0028 335 TYR 20 HD1 0.0197 0.0073 0.0026 336 TYR 20 HD2 0.0151 0.0068 0.0039 337 TYR 20 HE1 0.0204 0.0089 0.0033 338 TYR 20 HE2 0.0157 0.0083 0.0045 339 TYR 20 HH 0.0195 0.0099 0.0041 340 ARG 21 N 0.0138 0.0134 -0.0042 341 ARG 21 CA 0.0151 0.0140 -0.0051 342 ARG 21 C 0.0136 0.0142 -0.0064 343 ARG 21 O 0.0140 0.0144 -0.0066 344 ARG 21 CB 0.0164 0.0135 -0.0034 345 ARG 21 CG 0.0183 0.0135 -0.0025 346 ARG 21 CD 0.0205 0.0143 -0.0034 347 ARG 21 NE 0.0210 0.0142 -0.0029 348 ARG 21 CZ 0.0221 0.0149 -0.0041 349 ARG 21 NH1 0.0233 0.0156 -0.0055 350 ARG 21 NH2 0.0219 0.0147 -0.0039 351 ARG 21 H 0.0144 0.0136 -0.0044 352 ARG 21 HA 0.0162 0.0146 -0.0061 353 ARG 21 HB3 0.0171 0.0139 -0.0040 354 ARG 21 HB2 0.0154 0.0129 -0.0022 355 ARG 21 HG3 0.0185 0.0129 -0.0008 356 ARG 21 HG2 0.0180 0.0136 -0.0027 357 ARG 21 HD3 0.0218 0.0143 -0.0028 358 ARG 21 HD2 0.0202 0.0149 -0.0051 359 ARG 21 HE 0.0206 0.0135 -0.0015 360 ARG 21 HH12 0.0241 0.0162 -0.0064 361 ARG 21 HH11 0.0234 0.0157 -0.0056 362 ARG 21 HH22 0.0227 0.0153 -0.0048 363 ARG 21 HH21 0.0210 0.0141 -0.0028 364 GLY 22 N 0.0230 0.0020 -0.0049 365 GLY 22 CA 0.0211 -0.0027 -0.0057 366 GLY 22 C 0.0183 -0.0059 -0.0038 367 GLY 22 O 0.0165 -0.0099 -0.0042 368 GLY 22 H 0.0249 0.0031 -0.0073 369 GLY 22 HA3 0.0204 -0.0029 -0.0047 370 GLY 22 HA2 0.0224 -0.0040 -0.0093 371 ILE 23 N 0.0161 -0.0037 -0.0009 372 ILE 23 CA 0.0141 -0.0031 -0.0001 373 ILE 23 C 0.0154 -0.0029 -0.0003 374 ILE 23 O 0.0173 -0.0012 0.0001 375 ILE 23 CB 0.0129 -0.0006 0.0015 376 ILE 23 CG1 0.0118 -0.0008 0.0018 377 ILE 23 CG2 0.0108 -0.0000 0.0024 378 ILE 23 CD1 0.0113 0.0019 0.0032 379 ILE 23 H 0.0174 -0.0022 -0.0005 380 ILE 23 HA 0.0124 -0.0047 -0.0004 381 ILE 23 HB 0.0146 0.0009 0.0019 382 ILE 23 HG13 0.0132 -0.0016 0.0010 383 ILE 23 HG12 0.0098 -0.0020 0.0016 384 ILE 23 HG21 0.0100 0.0017 0.0035 385 ILE 23 HG22 0.0117 0.0002 0.0022 386 ILE 23 HG23 0.0091 -0.0016 0.0020 387 ILE 23 HD11 0.0105 0.0017 0.0034 388 ILE 23 HD12 0.0133 0.0031 0.0034 389 ILE 23 HD13 0.0098 0.0027 0.0040 390 SER 24 N 0.0153 -0.0051 0.0012 391 SER 24 CA 0.0156 -0.0048 0.0015 392 SER 24 C 0.0148 -0.0030 0.0031 393 SER 24 O 0.0134 -0.0022 0.0037 394 SER 24 CB 0.0141 -0.0059 0.0004 395 SER 24 OG 0.0119 -0.0055 0.0006 396 SER 24 H 0.0141 -0.0059 0.0004 397 SER 24 HA 0.0173 -0.0049 0.0015 398 SER 24 HB3 0.0145 -0.0072 -0.0007 399 SER 24 HB2 0.0145 -0.0057 0.0006 400 SER 24 HG 0.0110 -0.0060 0.0001 401 LEU 25 N 0.0140 -0.0046 0.0047 402 LEU 25 CA 0.0134 -0.0046 0.0060 403 LEU 25 C 0.0121 -0.0048 0.0063 404 LEU 25 O 0.0119 -0.0048 0.0075 405 LEU 25 CB 0.0131 -0.0047 0.0059 406 LEU 25 CG 0.0127 -0.0046 0.0072 407 LEU 25 CD1 0.0136 -0.0043 0.0083 408 LEU 25 CD2 0.0124 -0.0047 0.0069 409 LEU 25 H 0.0141 -0.0046 0.0039 410 LEU 25 HA 0.0141 -0.0043 0.0068 411 LEU 25 HB3 0.0123 -0.0049 0.0051 412 LEU 25 HB2 0.0140 -0.0045 0.0054 413 LEU 25 HG 0.0117 -0.0048 0.0075 414 LEU 25 HD11 0.0133 -0.0043 0.0092 415 LEU 25 HD12 0.0137 -0.0042 0.0086 416 LEU 25 HD13 0.0146 -0.0041 0.0080 417 LEU 25 HD21 0.0121 -0.0047 0.0078 418 LEU 25 HD22 0.0134 -0.0045 0.0065 419 LEU 25 HD23 0.0116 -0.0050 0.0061 420 ALA 26 N 0.0103 -0.0019 0.0053 421 ALA 26 CA 0.0084 -0.0008 0.0046 422 ALA 26 C 0.0085 -0.0011 0.0037 423 ALA 26 O 0.0073 -0.0003 0.0039 424 ALA 26 CB 0.0072 -0.0005 0.0029 425 ALA 26 H 0.0108 -0.0023 0.0045 426 ALA 26 HA 0.0076 0.0000 0.0060 427 ALA 26 HB1 0.0058 0.0003 0.0024 428 ALA 26 HB2 0.0071 -0.0002 0.0036 429 ALA 26 HB3 0.0080 -0.0013 0.0014 430 ASN 27 N 0.0050 -0.0005 0.0040 431 ASN 27 CA 0.0045 -0.0005 0.0036 432 ASN 27 C 0.0048 0.0004 0.0050 433 ASN 27 O 0.0037 0.0010 0.0052 434 ASN 27 CB 0.0054 -0.0017 0.0025 435 ASN 27 CG 0.0044 -0.0025 0.0010 436 ASN 27 OD1 0.0029 -0.0023 0.0006 437 ASN 27 ND2 0.0051 -0.0034 0.0002 438 ASN 27 H 0.0060 -0.0011 0.0036 439 ASN 27 HA 0.0031 -0.0003 0.0032 440 ASN 27 HB3 0.0055 -0.0017 0.0027 441 ASN 27 HB2 0.0066 -0.0021 0.0027 442 ASN 27 HD22 0.0046 -0.0040 -0.0008 443 ASN 27 HD21 0.0063 -0.0036 0.0007 444 TRP 28 N 0.0064 -0.0034 0.0080 445 TRP 28 CA 0.0065 -0.0010 0.0088 446 TRP 28 C 0.0058 -0.0007 0.0093 447 TRP 28 O 0.0047 0.0009 0.0104 448 TRP 28 CB 0.0087 0.0004 0.0080 449 TRP 28 CG 0.0095 0.0008 0.0077 450 TRP 28 CD1 0.0112 -0.0001 0.0064 451 TRP 28 CD2 0.0087 0.0023 0.0085 452 TRP 28 NE1 0.0115 0.0008 0.0065 453 TRP 28 CE2 0.0100 0.0022 0.0078 454 TRP 28 CE3 0.0071 0.0037 0.0099 455 TRP 28 CZ2 0.0097 0.0035 0.0084 456 TRP 28 CZ3 0.0068 0.0050 0.0105 457 TRP 28 CH2 0.0081 0.0049 0.0098 458 TRP 28 H 0.0078 -0.0040 0.0071 459 TRP 28 HA 0.0054 -0.0002 0.0096 460 TRP 28 HB3 0.0088 0.0021 0.0085 461 TRP 28 HB2 0.0099 -0.0004 0.0070 462 TRP 28 HD1 0.0121 -0.0013 0.0055 463 TRP 28 HE1 0.0127 0.0003 0.0057 464 TRP 28 HE3 0.0061 0.0038 0.0105 465 TRP 28 HZ2 0.0107 0.0034 0.0078 466 TRP 28 HZ3 0.0055 0.0061 0.0116 467 TRP 28 HH2 0.0078 0.0059 0.0103 468 MET 29 N 0.0086 -0.0045 0.0107 469 MET 29 CA 0.0080 -0.0051 0.0111 470 MET 29 C 0.0075 -0.0055 0.0119 471 MET 29 O 0.0072 -0.0056 0.0127 472 MET 29 CB 0.0077 -0.0057 0.0102 473 MET 29 CG 0.0081 -0.0054 0.0095 474 MET 29 SD 0.0081 -0.0052 0.0102 475 MET 29 CE 0.0073 -0.0062 0.0104 476 MET 29 H 0.0087 -0.0045 0.0100 477 MET 29 HA 0.0082 -0.0048 0.0115 478 MET 29 HB3 0.0072 -0.0062 0.0105 479 MET 29 HB2 0.0076 -0.0059 0.0098 480 MET 29 HG3 0.0079 -0.0059 0.0089 481 MET 29 HG2 0.0086 -0.0049 0.0092 482 MET 29 HE1 0.0072 -0.0062 0.0108 483 MET 29 HE2 0.0071 -0.0066 0.0097 484 MET 29 HE3 0.0070 -0.0064 0.0109 485 CYS 30 N 0.0011 0.0018 0.0077 486 CYS 30 CA -0.0006 0.0023 0.0062 487 CYS 30 C 0.0003 0.0020 0.0067 488 CYS 30 O -0.0011 0.0029 0.0071 489 CYS 30 CB -0.0007 0.0016 0.0034 490 CYS 30 SG -0.0028 0.0022 0.0013 491 CYS 30 H 0.0020 0.0011 0.0068 492 CYS 30 HA -0.0023 0.0034 0.0068 493 CYS 30 HB3 0.0010 0.0005 0.0027 494 CYS 30 HB2 -0.0011 0.0017 0.0031 495 LEU 31 N -0.0033 0.0009 0.0086 496 LEU 31 CA -0.0041 0.0023 0.0092 497 LEU 31 C -0.0041 0.0038 0.0095 498 LEU 31 O -0.0053 0.0045 0.0101 499 LEU 31 CB -0.0034 0.0027 0.0090 500 LEU 31 CG -0.0041 0.0042 0.0096 501 LEU 31 CD1 -0.0057 0.0038 0.0102 502 LEU 31 CD2 -0.0030 0.0048 0.0093 503 LEU 31 H -0.0024 0.0004 0.0081 504 LEU 31 HA -0.0054 0.0018 0.0096 505 LEU 31 HB3 -0.0021 0.0030 0.0085 506 LEU 31 HB2 -0.0034 0.0016 0.0088 507 LEU 31 HG -0.0041 0.0052 0.0098 508 LEU 31 HD11 -0.0062 0.0049 0.0106 509 LEU 31 HD12 -0.0065 0.0035 0.0104 510 LEU 31 HD13 -0.0058 0.0027 0.0100 511 LEU 31 HD21 -0.0035 0.0059 0.0097 512 LEU 31 HD22 -0.0028 0.0038 0.0090 513 LEU 31 HD23 -0.0018 0.0053 0.0089 514 ALA 32 N 0.0002 -0.0047 0.0134 515 ALA 32 CA 0.0000 -0.0049 0.0143 516 ALA 32 C -0.0009 -0.0053 0.0146 517 ALA 32 O -0.0010 -0.0054 0.0155 518 ALA 32 CB -0.0000 -0.0049 0.0142 519 ALA 32 H 0.0003 -0.0046 0.0128 520 ALA 32 HA 0.0006 -0.0048 0.0148 521 ALA 32 HB1 -0.0002 -0.0051 0.0148 522 ALA 32 HB2 0.0006 -0.0046 0.0140 523 ALA 32 HB3 -0.0005 -0.0050 0.0136 524 LYS 33 N 0.0015 -0.0055 0.0124 525 LYS 33 CA -0.0006 -0.0031 0.0121 526 LYS 33 C -0.0010 -0.0030 0.0100 527 LYS 33 O -0.0019 -0.0018 0.0106 528 LYS 33 CB -0.0019 -0.0018 0.0110 529 LYS 33 CG -0.0041 0.0008 0.0115 530 LYS 33 CD -0.0053 0.0019 0.0088 531 LYS 33 CE -0.0074 0.0043 0.0093 532 LYS 33 NZ -0.0081 0.0055 0.0120 533 LYS 33 H 0.0019 -0.0060 0.0119 534 LYS 33 HA -0.0010 -0.0024 0.0143 535 LYS 33 HB3 -0.0018 -0.0023 0.0086 536 LYS 33 HB2 -0.0014 -0.0022 0.0123 537 LYS 33 HG3 -0.0048 0.0017 0.0123 538 LYS 33 HG2 -0.0042 0.0012 0.0133 539 LYS 33 HD3 -0.0045 0.0008 0.0077 540 LYS 33 HD2 -0.0054 0.0018 0.0072 541 LYS 33 HE3 -0.0073 0.0043 0.0097 542 LYS 33 HE2 -0.0084 0.0052 0.0073 543 LYS 33 HZ1 -0.0074 0.0050 0.0139 544 LYS 33 HZ2 -0.0078 0.0052 0.0120 545 LYS 33 HZ3 -0.0096 0.0072 0.0119 546 TRP 34 N -0.0066 0.0022 0.0098 547 TRP 34 CA -0.0070 0.0025 0.0065 548 TRP 34 C -0.0054 0.0004 0.0068 549 TRP 34 O -0.0061 0.0012 0.0050 550 TRP 34 CB -0.0071 0.0023 0.0024 551 TRP 34 CG -0.0093 0.0050 0.0020 552 TRP 34 CD1 -0.0092 0.0050 0.0023 553 TRP 34 CD2 -0.0118 0.0083 0.0016 554 TRP 34 NE1 -0.0115 0.0080 0.0020 555 TRP 34 CE2 -0.0132 0.0101 0.0016 556 TRP 34 CE3 -0.0130 0.0099 0.0012 557 TRP 34 CZ2 -0.0157 0.0134 0.0011 558 TRP 34 CZ3 -0.0156 0.0132 0.0008 559 TRP 34 CH2 -0.0169 0.0149 0.0008 560 TRP 34 H -0.0056 0.0009 0.0094 561 TRP 34 HA -0.0089 0.0049 0.0068 562 TRP 34 HB3 -0.0073 0.0023 -0.0000 563 TRP 34 HB2 -0.0054 0.0000 0.0021 564 TRP 34 HD1 -0.0075 0.0027 0.0027 565 TRP 34 HE1 -0.0118 0.0084 0.0021 566 TRP 34 HE3 -0.0120 0.0086 0.0011 567 TRP 34 HZ2 -0.0167 0.0147 0.0011 568 TRP 34 HZ3 -0.0166 0.0145 0.0005 569 TRP 34 HH2 -0.0189 0.0175 0.0005 570 GLU 35 N -0.0071 -0.0034 0.0127 571 GLU 35 CA -0.0072 -0.0025 0.0132 572 GLU 35 C -0.0071 -0.0041 0.0122 573 GLU 35 O -0.0066 -0.0044 0.0133 574 GLU 35 CB -0.0083 -0.0001 0.0122 575 GLU 35 CG -0.0084 0.0019 0.0136 576 GLU 35 CD -0.0078 0.0026 0.0160 577 GLU 35 OE1 -0.0073 0.0017 0.0166 578 GLU 35 OE2 -0.0078 0.0040 0.0173 579 GLU 35 H -0.0077 -0.0028 0.0115 580 GLU 35 HA -0.0067 -0.0022 0.0151 581 GLU 35 HB3 -0.0084 0.0004 0.0121 582 GLU 35 HB2 -0.0089 -0.0002 0.0104 583 GLU 35 HG3 -0.0092 0.0034 0.0126 584 GLU 35 HG2 -0.0082 0.0014 0.0137 585 SER 36 N -0.0019 -0.0110 0.0173 586 SER 36 CA -0.0021 -0.0129 0.0158 587 SER 36 C -0.0020 -0.0152 0.0145 588 SER 36 O -0.0020 -0.0169 0.0133 589 SER 36 CB -0.0037 -0.0117 0.0141 590 SER 36 OG -0.0050 -0.0111 0.0126 591 SER 36 H -0.0025 -0.0106 0.0167 592 SER 36 HA -0.0011 -0.0136 0.0168 593 SER 36 HB3 -0.0038 -0.0100 0.0150 594 SER 36 HB2 -0.0038 -0.0130 0.0131 595 SER 36 HG -0.0054 -0.0093 0.0130 596 GLY 37 N 0.0004 -0.0174 0.0160 597 GLY 37 CA 0.0004 -0.0193 0.0147 598 GLY 37 C -0.0006 -0.0190 0.0124 599 GLY 37 O -0.0007 -0.0206 0.0112 600 GLY 37 H 0.0005 -0.0165 0.0169 601 GLY 37 HA3 0.0009 -0.0207 0.0151 602 GLY 37 HA2 0.0005 -0.0195 0.0148 603 TYR 38 N 0.0083 -0.0178 0.0148 604 TYR 38 CA 0.0054 -0.0180 0.0130 605 TYR 38 C 0.0049 -0.0204 0.0115 606 TYR 38 O 0.0029 -0.0215 0.0097 607 TYR 38 CB 0.0042 -0.0182 0.0122 608 TYR 38 CG 0.0046 -0.0161 0.0136 609 TYR 38 CD1 0.0043 -0.0132 0.0149 610 TYR 38 CD2 0.0053 -0.0171 0.0134 611 TYR 38 CE1 0.0047 -0.0113 0.0161 612 TYR 38 CE2 0.0056 -0.0151 0.0146 613 TYR 38 CZ 0.0053 -0.0123 0.0159 614 TYR 38 OH 0.0056 -0.0103 0.0172 615 TYR 38 H 0.0088 -0.0161 0.0160 616 TYR 38 HA 0.0043 -0.0160 0.0134 617 TYR 38 HB3 0.0020 -0.0181 0.0109 618 TYR 38 HB2 0.0049 -0.0204 0.0115 619 TYR 38 HD1 0.0037 -0.0123 0.0150 620 TYR 38 HD2 0.0055 -0.0193 0.0124 621 TYR 38 HE1 0.0045 -0.0091 0.0171 622 TYR 38 HE2 0.0060 -0.0159 0.0145 623 TYR 38 HH 0.0056 -0.0085 0.0181 624 ASN 39 N -0.0008 -0.0224 0.0083 625 ASN 39 CA -0.0012 -0.0216 0.0062 626 ASN 39 C -0.0038 -0.0176 0.0062 627 ASN 39 O -0.0049 -0.0161 0.0096 628 ASN 39 CB 0.0000 -0.0237 0.0085 629 ASN 39 CG -0.0002 -0.0232 0.0067 630 ASN 39 OD1 -0.0011 -0.0216 0.0032 631 ASN 39 ND2 0.0005 -0.0245 0.0091 632 ASN 39 H -0.0012 -0.0220 0.0115 633 ASN 39 HA -0.0005 -0.0224 0.0029 634 ASN 39 HB3 -0.0006 -0.0231 0.0119 635 ASN 39 HB2 0.0018 -0.0266 0.0085 636 ASN 39 HD22 0.0004 -0.0243 0.0081 637 ASN 39 HD21 0.0012 -0.0258 0.0119 638 THR 40 N -0.0008 -0.0154 0.0045 639 THR 40 CA -0.0035 -0.0121 0.0039 640 THR 40 C -0.0060 -0.0097 0.0040 641 THR 40 O -0.0088 -0.0072 0.0044 642 THR 40 CB -0.0022 -0.0103 0.0005 643 THR 40 OG1 -0.0004 -0.0093 -0.0025 644 THR 40 CG2 0.0001 -0.0124 0.0003 645 THR 40 H 0.0016 -0.0159 0.0024 646 THR 40 HA -0.0050 -0.0126 0.0061 647 THR 40 HB -0.0044 -0.0080 0.0004 648 THR 40 HG1 -0.0010 -0.0070 -0.0044 649 THR 40 HG21 0.0009 -0.0109 -0.0022 650 THR 40 HG22 -0.0013 -0.0131 0.0026 651 THR 40 HG23 0.0024 -0.0148 0.0004 652 ARG 41 N -0.0085 -0.0138 -0.0001 653 ARG 41 CA -0.0115 -0.0099 0.0021 654 ARG 41 C -0.0155 -0.0117 0.0072 655 ARG 41 O -0.0183 -0.0088 0.0095 656 ARG 41 CB -0.0098 -0.0106 0.0004 657 ARG 41 CG -0.0109 -0.0052 0.0001 658 ARG 41 CD -0.0096 -0.0064 -0.0010 659 ARG 41 NE -0.0131 -0.0048 0.0025 660 ARG 41 CZ -0.0150 0.0006 0.0031 661 ARG 41 NH1 -0.0131 0.0051 -0.0005 662 ARG 41 NH2 -0.0190 0.0018 0.0072 663 ARG 41 H -0.0068 -0.0173 -0.0010 664 ARG 41 HA -0.0118 -0.0054 0.0012 665 ARG 41 HB3 -0.0109 -0.0142 0.0027 666 ARG 41 HB2 -0.0065 -0.0121 -0.0029 667 ARG 41 HG3 -0.0094 -0.0018 -0.0026 668 ARG 41 HG2 -0.0141 -0.0035 0.0032 669 ARG 41 HD3 -0.0083 -0.0111 -0.0011 670 ARG 41 HD2 -0.0073 -0.0040 -0.0043 671 ARG 41 HE -0.0141 -0.0082 0.0046 672 ARG 41 HH12 -0.0146 0.0092 0.0000 673 ARG 41 HH11 -0.0101 0.0043 -0.0036 674 ARG 41 HH22 -0.0205 0.0060 0.0076 675 ARG 41 HH21 -0.0206 -0.0015 0.0099 676 ALA 42 N -0.0110 -0.0092 0.0061 677 ALA 42 CA -0.0114 -0.0097 0.0083 678 ALA 42 C -0.0135 -0.0084 0.0091 679 ALA 42 O -0.0148 -0.0073 0.0091 680 ALA 42 CB -0.0107 -0.0110 0.0102 681 ALA 42 H -0.0104 -0.0097 0.0062 682 ALA 42 HA -0.0105 -0.0103 0.0080 683 ALA 42 HB1 -0.0110 -0.0114 0.0118 684 ALA 42 HB2 -0.0091 -0.0121 0.0097 685 ALA 42 HB3 -0.0115 -0.0105 0.0105 686 THR 43 N -0.0190 -0.0072 0.0053 687 THR 43 CA -0.0193 -0.0070 0.0055 688 THR 43 C -0.0195 -0.0072 0.0058 689 THR 43 O -0.0193 -0.0073 0.0058 690 THR 43 CB -0.0195 -0.0067 0.0053 691 THR 43 OG1 -0.0194 -0.0067 0.0052 692 THR 43 CG2 -0.0193 -0.0065 0.0050 693 THR 43 H -0.0189 -0.0073 0.0053 694 THR 43 HA -0.0194 -0.0070 0.0056 695 THR 43 HB -0.0197 -0.0065 0.0055 696 THR 43 HG1 -0.0194 -0.0068 0.0054 697 THR 43 HG21 -0.0194 -0.0062 0.0049 698 THR 43 HG22 -0.0194 -0.0064 0.0050 699 THR 43 HG23 -0.0191 -0.0066 0.0048 700 ASN 44 N -0.0168 -0.0065 0.0013 701 ASN 44 CA -0.0148 -0.0053 -0.0004 702 ASN 44 C -0.0128 -0.0069 -0.0015 703 ASN 44 O -0.0128 -0.0072 -0.0014 704 ASN 44 CB -0.0150 -0.0024 -0.0009 705 ASN 44 CG -0.0130 -0.0010 -0.0026 706 ASN 44 OD1 -0.0121 -0.0010 -0.0032 707 ASN 44 ND2 -0.0122 0.0001 -0.0034 708 ASN 44 H -0.0171 -0.0072 0.0015 709 ASN 44 HA -0.0145 -0.0053 -0.0006 710 ASN 44 HB3 -0.0155 -0.0024 -0.0005 711 ASN 44 HB2 -0.0164 -0.0013 -0.0001 712 ASN 44 HD22 -0.0108 0.0010 -0.0045 713 ASN 44 HD21 -0.0129 -0.0001 -0.0028 714 TYR 45 N -0.0007 -0.0166 -0.0088 715 TYR 45 CA 0.0001 -0.0163 -0.0083 716 TYR 45 C 0.0052 -0.0122 -0.0036 717 TYR 45 O 0.0107 -0.0128 -0.0025 718 TYR 45 CB 0.0026 -0.0221 -0.0122 719 TYR 45 CG 0.0035 -0.0221 -0.0119 720 TYR 45 CD1 -0.0020 -0.0203 -0.0121 721 TYR 45 CD2 0.0102 -0.0240 -0.0115 722 TYR 45 CE1 -0.0010 -0.0203 -0.0118 723 TYR 45 CE2 0.0110 -0.0239 -0.0112 724 TYR 45 CZ 0.0056 -0.0223 -0.0115 725 TYR 45 OH 0.0065 -0.0222 -0.0111 726 TYR 45 H 0.0025 -0.0197 -0.0103 727 TYR 45 HA -0.0050 -0.0146 -0.0084 728 TYR 45 HB3 0.0074 -0.0239 -0.0123 729 TYR 45 HB2 -0.0010 -0.0249 -0.0155 730 TYR 45 HD1 -0.0071 -0.0190 -0.0125 731 TYR 45 HD2 0.0145 -0.0254 -0.0114 732 TYR 45 HE1 -0.0053 -0.0188 -0.0119 733 TYR 45 HE2 0.0161 -0.0253 -0.0108 734 TYR 45 HH 0.0027 -0.0197 -0.0103 735 ASN 46 N 0.0000 -0.0152 -0.0054 736 ASN 46 CA 0.0038 -0.0118 -0.0021 737 ASN 46 C 0.0070 -0.0132 -0.0012 738 ASN 46 O 0.0056 -0.0117 -0.0013 739 ASN 46 CB 0.0011 -0.0063 -0.0010 740 ASN 46 CG -0.0023 -0.0049 -0.0020 741 ASN 46 OD1 -0.0006 -0.0048 -0.0012 742 ASN 46 ND2 -0.0073 -0.0039 -0.0039 743 ASN 46 H -0.0030 -0.0144 -0.0064 744 ASN 46 HA 0.0061 -0.0123 -0.0013 745 ASN 46 HB3 0.0038 -0.0038 0.0014 746 ASN 46 HB2 -0.0012 -0.0058 -0.0019 747 ASN 46 HD22 -0.0096 -0.0030 -0.0046 748 ASN 46 HD21 -0.0086 -0.0042 -0.0047 749 ALA 47 N 0.0195 -0.0199 0.0051 750 ALA 47 CA 0.0204 -0.0218 0.0013 751 ALA 47 C 0.0152 -0.0154 0.0123 752 ALA 47 O 0.0094 -0.0149 0.0090 753 ALA 47 CB 0.0363 -0.0278 -0.0002 754 ALA 47 H 0.0287 -0.0226 0.0060 755 ALA 47 HA 0.0138 -0.0239 -0.0086 756 ALA 47 HB1 0.0373 -0.0294 -0.0030 757 ALA 47 HB2 0.0398 -0.0325 -0.0084 758 ALA 47 HB3 0.0430 -0.0258 0.0096 759 GLY 48 N 0.0120 -0.0224 0.0209 760 GLY 48 CA 0.0031 -0.0222 0.0301 761 GLY 48 C -0.0081 -0.0183 0.0292 762 GLY 48 O -0.0172 -0.0159 0.0313 763 GLY 48 H 0.0192 -0.0253 0.0230 764 GLY 48 HA3 0.0062 -0.0257 0.0385 765 GLY 48 HA2 0.0018 -0.0218 0.0302 766 ASP 49 N -0.0047 -0.0131 0.0090 767 ASP 49 CA -0.0054 -0.0075 0.0077 768 ASP 49 C -0.0058 -0.0059 0.0039 769 ASP 49 O -0.0064 -0.0013 0.0022 770 ASP 49 CB -0.0057 -0.0060 0.0058 771 ASP 49 CG -0.0059 -0.0076 0.0003 772 ASP 49 OD1 -0.0058 -0.0104 -0.0023 773 ASP 49 OD2 -0.0063 -0.0056 -0.0018 774 ASP 49 H -0.0046 -0.0158 0.0061 775 ASP 49 HA -0.0053 -0.0053 0.0113 776 ASP 49 HB3 -0.0053 -0.0075 0.0085 777 ASP 49 HB2 -0.0061 -0.0017 0.0062 778 ARG 50 N -0.0050 -0.0172 0.0054 779 ARG 50 CA -0.0017 -0.0078 -0.0017 780 ARG 50 C 0.0073 -0.0082 -0.0047 781 ARG 50 O 0.0093 -0.0004 -0.0103 782 ARG 50 CB -0.0117 0.0003 -0.0030 783 ARG 50 CG -0.0187 0.0036 -0.0026 784 ARG 50 CD -0.0291 0.0110 -0.0034 785 ARG 50 NE -0.0388 0.0067 0.0028 786 ARG 50 CZ -0.0491 0.0115 0.0036 787 ARG 50 NH1 -0.0512 0.0207 -0.0013 788 ARG 50 NH2 -0.0571 0.0068 0.0094 789 ARG 50 H -0.0030 -0.0202 0.0065 790 ARG 50 HA 0.0017 -0.0056 -0.0043 791 ARG 50 HB3 -0.0089 0.0067 -0.0081 792 ARG 50 HB2 -0.0168 -0.0026 0.0006 793 ARG 50 HG3 -0.0210 -0.0029 0.0024 794 ARG 50 HG2 -0.0138 0.0070 -0.0065 795 ARG 50 HD3 -0.0293 0.0179 -0.0075 796 ARG 50 HD2 -0.0289 0.0128 -0.0046 797 ARG 50 HE -0.0371 -0.0007 0.0068 798 ARG 50 HH12 -0.0591 0.0245 -0.0008 799 ARG 50 HH11 -0.0449 0.0239 -0.0056 800 ARG 50 HH22 -0.0650 0.0104 0.0101 801 ARG 50 HH21 -0.0552 -0.0003 0.0132 802 SER 51 N -0.0040 -0.0053 -0.0056 803 SER 51 CA -0.0065 -0.0047 -0.0077 804 SER 51 C -0.0087 -0.0070 -0.0085 805 SER 51 O -0.0083 -0.0086 -0.0076 806 SER 51 CB -0.0067 -0.0015 -0.0090 807 SER 51 OG -0.0070 -0.0014 -0.0092 808 SER 51 H -0.0033 -0.0047 -0.0053 809 SER 51 HA -0.0067 -0.0048 -0.0078 810 SER 51 HB3 -0.0049 0.0001 -0.0083 811 SER 51 HB2 -0.0083 -0.0008 -0.0105 812 SER 51 HG -0.0053 -0.0013 -0.0080 813 THR 52 N -0.0112 -0.0063 -0.0062 814 THR 52 CA -0.0132 -0.0064 -0.0058 815 THR 52 C -0.0163 -0.0037 -0.0051 816 THR 52 O -0.0179 -0.0034 -0.0047 817 THR 52 CB -0.0146 -0.0102 -0.0056 818 THR 52 OG1 -0.0116 -0.0126 -0.0063 819 THR 52 CG2 -0.0168 -0.0105 -0.0052 820 THR 52 H -0.0124 -0.0067 -0.0060 821 THR 52 HA -0.0115 -0.0055 -0.0061 822 THR 52 HB -0.0162 -0.0110 -0.0053 823 THR 52 HG1 -0.0097 -0.0117 -0.0067 824 THR 52 HG21 -0.0177 -0.0133 -0.0051 825 THR 52 HG22 -0.0191 -0.0088 -0.0047 826 THR 52 HG23 -0.0152 -0.0098 -0.0055 827 ASP 53 N -0.0155 -0.0027 -0.0005 828 ASP 53 CA -0.0171 -0.0014 0.0005 829 ASP 53 C -0.0186 -0.0021 0.0015 830 ASP 53 O -0.0184 -0.0023 0.0014 831 ASP 53 CB -0.0167 0.0009 0.0001 832 ASP 53 CG -0.0151 0.0017 -0.0009 833 ASP 53 OD1 -0.0150 0.0013 -0.0010 834 ASP 53 OD2 -0.0140 0.0027 -0.0017 835 ASP 53 H -0.0149 -0.0023 -0.0010 836 ASP 53 HA -0.0174 -0.0016 0.0007 837 ASP 53 HB3 -0.0178 0.0019 0.0009 838 ASP 53 HB2 -0.0165 0.0011 -0.0000 839 TYR 54 N -0.0165 0.0009 0.0030 840 TYR 54 CA -0.0169 0.0008 0.0036 841 TYR 54 C -0.0171 0.0017 0.0057 842 TYR 54 O -0.0178 0.0016 0.0070 843 TYR 54 CB -0.0181 -0.0012 0.0036 844 TYR 54 CG -0.0180 -0.0023 0.0016 845 TYR 54 CD1 -0.0181 -0.0032 0.0006 846 TYR 54 CD2 -0.0178 -0.0026 0.0007 847 TYR 54 CE1 -0.0181 -0.0042 -0.0012 848 TYR 54 CE2 -0.0177 -0.0037 -0.0012 849 TYR 54 CZ -0.0179 -0.0045 -0.0020 850 TYR 54 OH -0.0178 -0.0056 -0.0039 851 TYR 54 H -0.0171 0.0004 0.0037 852 TYR 54 HA -0.0161 0.0012 0.0027 853 TYR 54 HB3 -0.0185 -0.0013 0.0043 854 TYR 54 HB2 -0.0188 -0.0017 0.0044 855 TYR 54 HD1 -0.0183 -0.0030 0.0013 856 TYR 54 HD2 -0.0178 -0.0021 0.0014 857 TYR 54 HE1 -0.0182 -0.0049 -0.0019 858 TYR 54 HE2 -0.0174 -0.0038 -0.0019 859 TYR 54 HH -0.0180 -0.0062 -0.0042 860 GLY 55 N -0.0135 -0.0029 0.0085 861 GLY 55 CA -0.0123 -0.0034 0.0080 862 GLY 55 C -0.0110 -0.0045 0.0097 863 GLY 55 O -0.0106 -0.0052 0.0112 864 GLY 55 H -0.0129 -0.0030 0.0079 865 GLY 55 HA3 -0.0133 -0.0028 0.0076 866 GLY 55 HA2 -0.0113 -0.0034 0.0064 867 THR 56 N -0.0062 -0.0040 0.0110 868 THR 56 CA -0.0049 -0.0058 0.0118 869 THR 56 C -0.0059 -0.0069 0.0136 870 THR 56 O -0.0052 -0.0085 0.0147 871 THR 56 CB -0.0033 -0.0061 0.0106 872 THR 56 OG1 -0.0018 -0.0078 0.0110 873 THR 56 CG2 -0.0039 -0.0058 0.0107 874 THR 56 H -0.0061 -0.0031 0.0100 875 THR 56 HA -0.0043 -0.0064 0.0117 876 THR 56 HB -0.0029 -0.0051 0.0092 877 THR 56 HG1 -0.0008 -0.0080 0.0102 878 THR 56 HG21 -0.0026 -0.0059 0.0099 879 THR 56 HG22 -0.0050 -0.0044 0.0104 880 THR 56 HG23 -0.0043 -0.0067 0.0121 881 PHE 57 N -0.0042 0.0044 0.0122 882 PHE 57 CA -0.0055 0.0025 0.0128 883 PHE 57 C -0.0080 0.0029 0.0129 884 PHE 57 O -0.0093 0.0015 0.0134 885 PHE 57 CB -0.0049 0.0016 0.0130 886 PHE 57 CG -0.0026 0.0009 0.0130 887 PHE 57 CD1 -0.0017 -0.0007 0.0133 888 PHE 57 CD2 -0.0013 0.0018 0.0127 889 PHE 57 CE1 0.0004 -0.0013 0.0133 890 PHE 57 CE2 0.0008 0.0011 0.0127 891 PHE 57 CZ 0.0017 -0.0005 0.0130 892 PHE 57 H -0.0041 0.0055 0.0119 893 PHE 57 HA -0.0051 0.0013 0.0131 894 PHE 57 HB3 -0.0060 0.0003 0.0134 895 PHE 57 HB2 -0.0053 0.0028 0.0127 896 PHE 57 HD1 -0.0027 -0.0014 0.0136 897 PHE 57 HD2 -0.0020 0.0030 0.0124 898 PHE 57 HE1 0.0011 -0.0025 0.0136 899 PHE 57 HE2 0.0018 0.0017 0.0124 900 PHE 57 HZ 0.0034 -0.0010 0.0130 901 GLN 58 N -0.0129 0.0000 0.0092 902 GLN 58 CA -0.0120 0.0000 0.0103 903 GLN 58 C -0.0119 0.0013 0.0107 904 GLN 58 O -0.0114 0.0019 0.0115 905 GLN 58 CB -0.0114 -0.0005 0.0110 906 GLN 58 CG -0.0114 -0.0020 0.0108 907 GLN 58 CD -0.0110 -0.0028 0.0110 908 GLN 58 OE1 -0.0103 -0.0031 0.0119 909 GLN 58 NE2 -0.0115 -0.0031 0.0103 910 GLN 58 H -0.0132 -0.0007 0.0087 911 GLN 58 HA -0.0120 -0.0006 0.0102 912 GLN 58 HB3 -0.0108 -0.0003 0.0118 913 GLN 58 HB2 -0.0115 -0.0000 0.0110 914 GLN 58 HG3 -0.0110 -0.0023 0.0112 915 GLN 58 HG2 -0.0120 -0.0022 0.0099 916 GLN 58 HE22 -0.0114 -0.0037 0.0104 917 GLN 58 HE21 -0.0121 -0.0029 0.0096 918 ILE 59 N -0.0115 0.0097 0.0055 919 ILE 59 CA -0.0121 0.0088 0.0055 920 ILE 59 C -0.0134 0.0096 0.0048 921 ILE 59 O -0.0134 0.0110 0.0045 922 ILE 59 CB -0.0109 0.0087 0.0059 923 ILE 59 CG1 -0.0097 0.0076 0.0065 924 ILE 59 CG2 -0.0116 0.0081 0.0058 925 ILE 59 CD1 -0.0083 0.0077 0.0070 926 ILE 59 H -0.0106 0.0105 0.0056 927 ILE 59 HA -0.0125 0.0077 0.0056 928 ILE 59 HB -0.0103 0.0098 0.0058 929 ILE 59 HG13 -0.0095 0.0079 0.0066 930 ILE 59 HG12 -0.0102 0.0064 0.0066 931 ILE 59 HG21 -0.0107 0.0080 0.0061 932 ILE 59 HG22 -0.0124 0.0088 0.0054 933 ILE 59 HG23 -0.0121 0.0069 0.0059 934 ILE 59 HD11 -0.0076 0.0069 0.0074 935 ILE 59 HD12 -0.0078 0.0088 0.0069 936 ILE 59 HD13 -0.0085 0.0073 0.0070 937 ASN 60 N -0.0168 0.0088 -0.0050 938 ASN 60 CA -0.0152 0.0078 -0.0055 939 ASN 60 C -0.0141 0.0060 -0.0049 940 ASN 60 O -0.0139 0.0056 -0.0048 941 ASN 60 CB -0.0141 0.0090 -0.0074 942 ASN 60 CG -0.0125 0.0083 -0.0082 943 ASN 60 OD1 -0.0110 0.0073 -0.0087 944 ASN 60 ND2 -0.0128 0.0086 -0.0082 945 ASN 60 H -0.0167 0.0096 -0.0057 946 ASN 60 HA -0.0156 0.0078 -0.0051 947 ASN 60 HB3 -0.0136 0.0090 -0.0079 948 ASN 60 HB2 -0.0149 0.0104 -0.0079 949 ASN 60 HD22 -0.0118 0.0081 -0.0087 950 ASN 60 HD21 -0.0141 0.0093 -0.0077 951 SER 61 N -0.0136 0.0045 -0.0085 952 SER 61 CA -0.0125 0.0026 -0.0077 953 SER 61 C -0.0094 0.0033 -0.0082 954 SER 61 O -0.0085 0.0019 -0.0076 955 SER 61 CB -0.0122 -0.0005 -0.0064 956 SER 61 OG -0.0097 -0.0005 -0.0065 957 SER 61 H -0.0132 0.0040 -0.0083 958 SER 61 HA -0.0143 0.0025 -0.0076 959 SER 61 HB3 -0.0144 -0.0011 -0.0060 960 SER 61 HB2 -0.0116 -0.0020 -0.0057 961 SER 61 HG -0.0084 -0.0022 -0.0058 962 ARG 62 N -0.0069 0.0053 -0.0134 963 ARG 62 CA -0.0011 0.0063 -0.0149 964 ARG 62 C 0.0009 0.0080 -0.0180 965 ARG 62 O 0.0057 0.0079 -0.0177 966 ARG 62 CB -0.0004 0.0078 -0.0177 967 ARG 62 CG 0.0056 0.0089 -0.0195 968 ARG 62 CD 0.0068 0.0092 -0.0200 969 ARG 62 NE 0.0090 0.0067 -0.0153 970 ARG 62 CZ 0.0061 0.0054 -0.0130 971 ARG 62 NH1 0.0013 0.0065 -0.0152 972 ARG 62 NH2 0.0082 0.0035 -0.0093 973 ARG 62 H -0.0101 0.0062 -0.0151 974 ARG 62 HA 0.0015 0.0046 -0.0116 975 ARG 62 HB3 -0.0033 0.0094 -0.0208 976 ARG 62 HB2 -0.0015 0.0065 -0.0153 977 ARG 62 HG3 0.0085 0.0075 -0.0169 978 ARG 62 HG2 0.0060 0.0108 -0.0231 979 ARG 62 HD3 0.0099 0.0108 -0.0229 980 ARG 62 HD2 0.0030 0.0096 -0.0211 981 ARG 62 HE 0.0127 0.0060 -0.0139 982 ARG 62 HH12 -0.0011 0.0055 -0.0136 983 ARG 62 HH11 0.0001 0.0081 -0.0184 984 ARG 62 HH22 0.0058 0.0025 -0.0076 985 ARG 62 HH21 0.0121 0.0030 -0.0082 986 TYR 63 N -0.0024 0.0102 -0.0161 987 TYR 63 CA -0.0014 0.0101 -0.0170 988 TYR 63 C -0.0047 0.0088 -0.0120 989 TYR 63 O -0.0027 0.0069 -0.0117 990 TYR 63 CB -0.0033 0.0158 -0.0221 991 TYR 63 CG -0.0002 0.0174 -0.0274 992 TYR 63 CD1 0.0056 0.0152 -0.0307 993 TYR 63 CD2 -0.0029 0.0210 -0.0291 994 TYR 63 CE1 0.0086 0.0165 -0.0356 995 TYR 63 CE2 0.0002 0.0223 -0.0340 996 TYR 63 CZ 0.0059 0.0201 -0.0372 997 TYR 63 OH 0.0090 0.0214 -0.0421 998 TYR 63 H -0.0061 0.0131 -0.0158 999 TYR 63 HA 0.0032 0.0074 -0.0185 1000 TYR 63 HB3 -0.0024 0.0159 -0.0232 1001 TYR 63 HB2 -0.0079 0.0184 -0.0206 1002 TYR 63 HD1 0.0078 0.0123 -0.0295 1003 TYR 63 HD2 -0.0073 0.0227 -0.0265 1004 TYR 63 HE1 0.0131 0.0148 -0.0382 1005 TYR 63 HE2 -0.0019 0.0251 -0.0353 1006 TYR 63 HH 0.0065 0.0249 -0.0439 1007 TRP 64 N -0.0030 0.0119 -0.0053 1008 TRP 64 CA -0.0036 0.0119 -0.0040 1009 TRP 64 C -0.0040 0.0111 -0.0037 1010 TRP 64 O -0.0046 0.0103 -0.0028 1011 TRP 64 CB -0.0035 0.0134 -0.0033 1012 TRP 64 CG -0.0032 0.0142 -0.0035 1013 TRP 64 CD1 -0.0025 0.0152 -0.0042 1014 TRP 64 CD2 -0.0035 0.0139 -0.0029 1015 TRP 64 NE1 -0.0024 0.0156 -0.0042 1016 TRP 64 CE2 -0.0030 0.0149 -0.0033 1017 TRP 64 CE3 -0.0042 0.0130 -0.0020 1018 TRP 64 CZ2 -0.0032 0.0149 -0.0029 1019 TRP 64 CZ3 -0.0044 0.0131 -0.0016 1020 TRP 64 CH2 -0.0039 0.0140 -0.0021 1021 TRP 64 H -0.0026 0.0124 -0.0059 1022 TRP 64 HA -0.0040 0.0114 -0.0035 1023 TRP 64 HB3 -0.0040 0.0134 -0.0023 1024 TRP 64 HB2 -0.0031 0.0139 -0.0037 1025 TRP 64 HD1 -0.0021 0.0155 -0.0048 1026 TRP 64 HE1 -0.0019 0.0163 -0.0047 1027 TRP 64 HE3 -0.0046 0.0123 -0.0016 1028 TRP 64 HZ2 -0.0028 0.0156 -0.0033 1029 TRP 64 HZ3 -0.0049 0.0124 -0.0009 1030 TRP 64 HH2 -0.0040 0.0140 -0.0018 1031 CYS 65 N -0.0130 0.0057 -0.0052 1032 CYS 65 CA -0.0139 0.0037 -0.0043 1033 CYS 65 C -0.0122 0.0020 -0.0049 1034 CYS 65 O -0.0106 0.0025 -0.0059 1035 CYS 65 CB -0.0153 0.0040 -0.0036 1036 CYS 65 SG -0.0142 0.0048 -0.0043 1037 CYS 65 H -0.0122 0.0064 -0.0058 1038 CYS 65 HA -0.0146 0.0032 -0.0038 1039 CYS 65 HB3 -0.0164 0.0052 -0.0032 1040 CYS 65 HB2 -0.0160 0.0026 -0.0029 1041 ASN 66 N -0.0140 -0.0004 -0.0078 1042 ASN 66 CA -0.0121 -0.0029 -0.0087 1043 ASN 66 C -0.0121 -0.0043 -0.0086 1044 ASN 66 O -0.0143 -0.0054 -0.0074 1045 ASN 66 CB -0.0126 -0.0054 -0.0083 1046 ASN 66 CG -0.0105 -0.0080 -0.0093 1047 ASN 66 OD1 -0.0081 -0.0075 -0.0107 1048 ASN 66 ND2 -0.0116 -0.0107 -0.0086 1049 ASN 66 H -0.0160 -0.0009 -0.0067 1050 ASN 66 HA -0.0101 -0.0020 -0.0099 1051 ASN 66 HB3 -0.0146 -0.0063 -0.0072 1052 ASN 66 HB2 -0.0125 -0.0043 -0.0084 1053 ASN 66 HD22 -0.0103 -0.0126 -0.0092 1054 ASN 66 HD21 -0.0136 -0.0110 -0.0075 1055 ASP 67 N -0.0161 -0.0063 -0.0084 1056 ASP 67 CA -0.0162 -0.0090 -0.0076 1057 ASP 67 C -0.0140 -0.0108 -0.0068 1058 ASP 67 O -0.0137 -0.0131 -0.0061 1059 ASP 67 CB -0.0162 -0.0090 -0.0076 1060 ASP 67 CG -0.0135 -0.0078 -0.0076 1061 ASP 67 OD1 -0.0114 -0.0072 -0.0075 1062 ASP 67 OD2 -0.0135 -0.0075 -0.0077 1063 ASP 67 H -0.0144 -0.0051 -0.0085 1064 ASP 67 HA -0.0182 -0.0100 -0.0076 1065 ASP 67 HB3 -0.0180 -0.0079 -0.0082 1066 ASP 67 HB2 -0.0166 -0.0111 -0.0071 1067 GLY 68 N -0.0110 -0.0139 -0.0086 1068 GLY 68 CA -0.0076 -0.0167 -0.0077 1069 GLY 68 C -0.0026 -0.0171 -0.0069 1070 GLY 68 O 0.0008 -0.0182 -0.0063 1071 GLY 68 H -0.0115 -0.0104 -0.0091 1072 GLY 68 HA3 -0.0092 -0.0204 -0.0074 1073 GLY 68 HA2 -0.0074 -0.0153 -0.0079 1074 LYS 69 N -0.0076 -0.0130 -0.0071 1075 LYS 69 CA -0.0031 -0.0145 -0.0046 1076 LYS 69 C -0.0005 -0.0107 -0.0032 1077 LYS 69 O 0.0031 -0.0117 -0.0013 1078 LYS 69 CB -0.0032 -0.0198 -0.0045 1079 LYS 69 CG -0.0060 -0.0200 -0.0060 1080 LYS 69 CD -0.0054 -0.0250 -0.0056 1081 LYS 69 CE -0.0066 -0.0245 -0.0062 1082 LYS 69 NZ -0.0105 -0.0280 -0.0083 1083 LYS 69 H -0.0100 -0.0128 -0.0084 1084 LYS 69 HA -0.0012 -0.0150 -0.0035 1085 LYS 69 HB3 -0.0046 -0.0227 -0.0052 1086 LYS 69 HB2 0.0002 -0.0210 -0.0026 1087 LYS 69 HG3 -0.0049 -0.0168 -0.0055 1088 LYS 69 HG2 -0.0095 -0.0194 -0.0080 1089 LYS 69 HD3 -0.0075 -0.0279 -0.0067 1090 LYS 69 HD2 -0.0019 -0.0262 -0.0037 1091 LYS 69 HE3 -0.0037 -0.0256 -0.0046 1092 LYS 69 HE2 -0.0074 -0.0205 -0.0068 1093 LYS 69 HZ1 -0.0113 -0.0276 -0.0088 1094 LYS 69 HZ2 -0.0097 -0.0317 -0.0078 1095 LYS 69 HZ3 -0.0132 -0.0270 -0.0098 1096 THR 70 N 0.0002 -0.0078 -0.0018 1097 THR 70 CA 0.0013 -0.0051 -0.0037 1098 THR 70 C 0.0052 -0.0029 -0.0040 1099 THR 70 O 0.0055 -0.0017 -0.0049 1100 THR 70 CB -0.0018 -0.0030 -0.0066 1101 THR 70 OG1 -0.0055 -0.0051 -0.0062 1102 THR 70 CG2 -0.0009 -0.0003 -0.0085 1103 THR 70 H -0.0010 -0.0075 -0.0025 1104 THR 70 HA 0.0016 -0.0059 -0.0029 1105 THR 70 HB -0.0020 -0.0020 -0.0075 1106 THR 70 HG1 -0.0062 -0.0069 -0.0050 1107 THR 70 HG21 -0.0032 0.0011 -0.0105 1108 THR 70 HG22 0.0020 0.0012 -0.0087 1109 THR 70 HG23 -0.0010 -0.0014 -0.0076 1110 PRO 71 N 0.0104 -0.0015 -0.0014 1111 PRO 71 CA 0.0157 -0.0007 -0.0032 1112 PRO 71 C 0.0168 0.0002 -0.0091 1113 PRO 71 O 0.0130 0.0003 -0.0123 1114 PRO 71 CB 0.0153 -0.0008 -0.0027 1115 PRO 71 CG 0.0106 -0.0017 0.0007 1116 PRO 71 CD 0.0067 -0.0020 0.0001 1117 PRO 71 HA 0.0190 -0.0008 -0.0005 1118 PRO 71 HB3 0.0190 -0.0008 -0.0008 1119 PRO 71 HB2 0.0146 -0.0003 -0.0067 1120 PRO 71 HG3 0.0119 -0.0022 0.0050 1121 PRO 71 HG2 0.0085 -0.0017 -0.0007 1122 PRO 71 HD2 0.0039 -0.0018 -0.0034 1123 PRO 71 HD3 0.0048 -0.0027 0.0040 1124 GLY 72 N 0.0327 -0.0073 -0.0134 1125 GLY 72 CA 0.0342 -0.0030 -0.0193 1126 GLY 72 C 0.0257 -0.0001 -0.0175 1127 GLY 72 O 0.0241 0.0058 -0.0234 1128 GLY 72 H 0.0377 -0.0127 -0.0101 1129 GLY 72 HA3 0.0358 0.0017 -0.0256 1130 GLY 72 HA2 0.0409 -0.0065 -0.0193 1131 ALA 73 N 0.0122 0.0018 -0.0148 1132 ALA 73 CA 0.0073 0.0030 -0.0151 1133 ALA 73 C 0.0084 0.0042 -0.0165 1134 ALA 73 O 0.0121 0.0024 -0.0154 1135 ALA 73 CB 0.0040 -0.0005 -0.0112 1136 ALA 73 H 0.0132 -0.0010 -0.0123 1137 ALA 73 HA 0.0050 0.0054 -0.0171 1138 ALA 73 HB1 0.0003 0.0003 -0.0114 1139 ALA 73 HB2 0.0030 -0.0013 -0.0103 1140 ALA 73 HB3 0.0063 -0.0030 -0.0092 1141 VAL 74 N 0.0077 0.0032 -0.0185 1142 VAL 74 CA 0.0064 0.0036 -0.0178 1143 VAL 74 C 0.0016 0.0024 -0.0139 1144 VAL 74 O 0.0010 0.0005 -0.0126 1145 VAL 74 CB 0.0064 0.0092 -0.0206 1146 VAL 74 CG1 0.0045 0.0101 -0.0198 1147 VAL 74 CG2 0.0116 0.0098 -0.0244 1148 VAL 74 H 0.0057 0.0062 -0.0186 1149 VAL 74 HA 0.0092 0.0008 -0.0183 1150 VAL 74 HB 0.0040 0.0121 -0.0204 1151 VAL 74 HG11 0.0046 0.0141 -0.0218 1152 VAL 74 HG12 0.0008 0.0097 -0.0170 1153 VAL 74 HG13 0.0068 0.0072 -0.0199 1154 VAL 74 HG21 0.0118 0.0137 -0.0265 1155 VAL 74 HG22 0.0141 0.0068 -0.0246 1156 VAL 74 HG23 0.0126 0.0093 -0.0249 1157 ASN 75 N -0.0043 0.0044 -0.0134 1158 ASN 75 CA -0.0075 0.0037 -0.0119 1159 ASN 75 C -0.0097 0.0055 -0.0108 1160 ASN 75 O -0.0117 0.0040 -0.0098 1161 ASN 75 CB -0.0082 -0.0002 -0.0116 1162 ASN 75 CG -0.0110 -0.0010 -0.0102 1163 ASN 75 OD1 -0.0124 0.0012 -0.0095 1164 ASN 75 ND2 -0.0121 -0.0042 -0.0097 1165 ASN 75 H -0.0031 0.0051 -0.0140 1166 ASN 75 HA -0.0079 0.0045 -0.0117 1167 ASN 75 HB3 -0.0084 -0.0010 -0.0114 1168 ASN 75 HB2 -0.0063 -0.0015 -0.0125 1169 ASN 75 HD22 -0.0140 -0.0048 -0.0087 1170 ASN 75 HD21 -0.0109 -0.0060 -0.0102 1171 ALA 76 N -0.0050 0.0108 -0.0091 1172 ALA 76 CA -0.0062 0.0113 -0.0070 1173 ALA 76 C -0.0070 0.0116 -0.0054 1174 ALA 76 O -0.0084 0.0113 -0.0038 1175 ALA 76 CB -0.0052 0.0130 -0.0065 1176 ALA 76 H -0.0038 0.0118 -0.0098 1177 ALA 76 HA -0.0072 0.0100 -0.0070 1178 ALA 76 HB1 -0.0061 0.0133 -0.0049 1179 ALA 76 HB2 -0.0048 0.0126 -0.0075 1180 ALA 76 HB3 -0.0041 0.0143 -0.0065 1181 CYS 77 N -0.0071 0.0096 -0.0009 1182 CYS 77 CA -0.0080 0.0096 0.0001 1183 CYS 77 C -0.0093 0.0079 -0.0004 1184 CYS 77 O -0.0103 0.0077 0.0004 1185 CYS 77 CB -0.0068 0.0107 -0.0000 1186 CYS 77 SG -0.0056 0.0129 0.0011 1187 CYS 77 H -0.0059 0.0097 -0.0019 1188 CYS 77 HA -0.0088 0.0102 0.0014 1189 CYS 77 HB3 -0.0075 0.0105 0.0005 1190 CYS 77 HB2 -0.0059 0.0102 -0.0014 1191 HIS 78 N -0.0166 0.0051 -0.0075 1192 HIS 78 CA -0.0183 0.0001 -0.0070 1193 HIS 78 C -0.0206 -0.0017 -0.0059 1194 HIS 78 O -0.0242 -0.0037 -0.0042 1195 HIS 78 CB -0.0209 -0.0005 -0.0057 1196 HIS 78 CG -0.0181 0.0005 -0.0070 1197 HIS 78 ND1 -0.0180 0.0049 -0.0069 1198 HIS 78 CD2 -0.0155 -0.0024 -0.0084 1199 HIS 78 CE1 -0.0153 0.0047 -0.0082 1200 HIS 78 NE2 -0.0137 0.0003 -0.0092 1201 HIS 78 H -0.0134 0.0058 -0.0091 1202 HIS 78 HA -0.0154 -0.0022 -0.0085 1203 HIS 78 HB3 -0.0222 -0.0042 -0.0053 1204 HIS 78 HB2 -0.0236 0.0019 -0.0043 1205 HIS 78 HD1 -0.0197 0.0077 -0.0059 1206 HIS 78 HD2 -0.0150 -0.0061 -0.0088 1207 HIS 78 HE1 -0.0147 0.0079 -0.0083 1208 LEU 79 N -0.0189 0.0017 -0.0042 1209 LEU 79 CA -0.0177 0.0020 -0.0051 1210 LEU 79 C -0.0160 0.0018 -0.0074 1211 LEU 79 O -0.0147 0.0024 -0.0078 1212 LEU 79 CB -0.0161 0.0038 -0.0033 1213 LEU 79 CG -0.0165 0.0044 -0.0015 1214 LEU 79 CD1 -0.0144 0.0061 -0.0005 1215 LEU 79 CD2 -0.0176 0.0035 -0.0020 1216 LEU 79 H -0.0180 0.0021 -0.0046 1217 LEU 79 HA -0.0189 0.0013 -0.0052 1218 LEU 79 HB3 -0.0143 0.0043 -0.0042 1219 LEU 79 HB2 -0.0159 0.0043 -0.0024 1220 LEU 79 HG -0.0177 0.0044 -0.0001 1221 LEU 79 HD11 -0.0148 0.0065 0.0008 1222 LEU 79 HD12 -0.0139 0.0068 0.0004 1223 LEU 79 HD13 -0.0129 0.0062 -0.0019 1224 LEU 79 HD21 -0.0177 0.0042 -0.0005 1225 LEU 79 HD22 -0.0166 0.0033 -0.0036 1226 LEU 79 HD23 -0.0193 0.0024 -0.0022 1227 SER 80 N -0.0200 -0.0016 -0.0041 1228 SER 80 CA -0.0185 -0.0019 -0.0054 1229 SER 80 C -0.0176 0.0000 -0.0051 1230 SER 80 O -0.0184 0.0011 -0.0040 1231 SER 80 CB -0.0192 -0.0036 -0.0056 1232 SER 80 OG -0.0178 -0.0037 -0.0067 1233 SER 80 H -0.0213 -0.0023 -0.0035 1234 SER 80 HA -0.0175 -0.0024 -0.0063 1235 SER 80 HB3 -0.0203 -0.0032 -0.0046 1236 SER 80 HB2 -0.0197 -0.0050 -0.0059 1237 SER 80 HG -0.0169 -0.0042 -0.0075 1238 CYS 81 N -0.0191 -0.0009 -0.0023 1239 CYS 81 CA -0.0189 0.0000 -0.0023 1240 CYS 81 C -0.0188 0.0006 -0.0019 1241 CYS 81 O -0.0187 0.0013 -0.0016 1242 CYS 81 CB -0.0187 0.0003 -0.0032 1243 CYS 81 SG -0.0188 -0.0002 -0.0038 1244 CYS 81 H -0.0191 -0.0012 -0.0028 1245 CYS 81 HA -0.0189 0.0001 -0.0019 1246 CYS 81 HB3 -0.0186 0.0010 -0.0032 1247 CYS 81 HB2 -0.0187 0.0002 -0.0036 1248 SER 82 N -0.0187 0.0038 -0.0034 1249 SER 82 CA -0.0173 0.0052 -0.0033 1250 SER 82 C -0.0157 0.0047 -0.0019 1251 SER 82 O -0.0144 0.0058 -0.0015 1252 SER 82 CB -0.0175 0.0063 -0.0040 1253 SER 82 OG -0.0174 0.0055 -0.0035 1254 SER 82 H -0.0196 0.0035 -0.0040 1255 SER 82 HA -0.0172 0.0060 -0.0036 1256 SER 82 HB3 -0.0186 0.0066 -0.0050 1257 SER 82 HB2 -0.0165 0.0076 -0.0040 1258 SER 82 HG -0.0183 0.0046 -0.0036 1259 ALA 83 N -0.0153 0.0076 -0.0040 1260 ALA 83 CA -0.0140 0.0070 -0.0035 1261 ALA 83 C -0.0126 0.0058 -0.0023 1262 ALA 83 O -0.0111 0.0054 -0.0022 1263 ALA 83 CB -0.0152 0.0066 -0.0027 1264 ALA 83 H -0.0168 0.0077 -0.0037 1265 ALA 83 HA -0.0131 0.0076 -0.0046 1266 ALA 83 HB1 -0.0142 0.0062 -0.0023 1267 ALA 83 HB2 -0.0161 0.0075 -0.0035 1268 ALA 83 HB3 -0.0161 0.0061 -0.0016 1269 LEU 84 N -0.0127 0.0052 0.0011 1270 LEU 84 CA -0.0123 0.0045 0.0016 1271 LEU 84 C -0.0117 0.0037 0.0014 1272 LEU 84 O -0.0114 0.0031 0.0018 1273 LEU 84 CB -0.0124 0.0047 0.0027 1274 LEU 84 CG -0.0129 0.0054 0.0030 1275 LEU 84 CD1 -0.0131 0.0056 0.0040 1276 LEU 84 CD2 -0.0129 0.0055 0.0026 1277 LEU 84 H -0.0128 0.0055 0.0015 1278 LEU 84 HA -0.0122 0.0045 0.0013 1279 LEU 84 HB3 -0.0121 0.0042 0.0031 1280 LEU 84 HB2 -0.0124 0.0047 0.0030 1281 LEU 84 HG -0.0132 0.0059 0.0026 1282 LEU 84 HD11 -0.0134 0.0061 0.0042 1283 LEU 84 HD12 -0.0131 0.0056 0.0043 1284 LEU 84 HD13 -0.0128 0.0051 0.0044 1285 LEU 84 HD21 -0.0133 0.0061 0.0028 1286 LEU 84 HD22 -0.0126 0.0050 0.0029 1287 LEU 84 HD23 -0.0129 0.0055 0.0018 1288 LEU 85 N -0.0136 0.0010 -0.0004 1289 LEU 85 CA -0.0125 0.0004 -0.0010 1290 LEU 85 C -0.0103 0.0007 -0.0033 1291 LEU 85 O -0.0094 0.0006 -0.0041 1292 LEU 85 CB -0.0140 0.0020 -0.0006 1293 LEU 85 CG -0.0162 0.0016 0.0017 1294 LEU 85 CD1 -0.0176 0.0034 0.0019 1295 LEU 85 CD2 -0.0159 -0.0011 0.0030 1296 LEU 85 H -0.0140 0.0028 -0.0011 1297 LEU 85 HA -0.0123 -0.0016 -0.0001 1298 LEU 85 HB3 -0.0132 0.0016 -0.0012 1299 LEU 85 HB2 -0.0143 0.0040 -0.0015 1300 LEU 85 HG -0.0170 0.0019 0.0022 1301 LEU 85 HD11 -0.0191 0.0031 0.0035 1302 LEU 85 HD12 -0.0179 0.0054 0.0010 1303 LEU 85 HD13 -0.0168 0.0032 0.0013 1304 LEU 85 HD21 -0.0175 -0.0013 0.0046 1305 LEU 85 HD22 -0.0151 -0.0016 0.0025 1306 LEU 85 HD23 -0.0150 -0.0024 0.0029 1307 GLN 86 N -0.0057 0.0032 -0.0053 1308 GLN 86 CA -0.0023 0.0037 -0.0087 1309 GLN 86 C 0.0008 -0.0003 -0.0088 1310 GLN 86 O 0.0004 -0.0034 -0.0064 1311 GLN 86 CB -0.0021 0.0054 -0.0100 1312 GLN 86 CG -0.0047 0.0097 -0.0105 1313 GLN 86 CD -0.0044 0.0109 -0.0116 1314 GLN 86 OE1 -0.0019 0.0124 -0.0148 1315 GLN 86 NE2 -0.0062 0.0103 -0.0095 1316 GLN 86 H -0.0072 0.0034 -0.0041 1317 GLN 86 HA -0.0020 0.0057 -0.0103 1318 GLN 86 HB3 0.0006 0.0052 -0.0122 1319 GLN 86 HB2 -0.0027 0.0035 -0.0082 1320 GLN 86 HG3 -0.0074 0.0099 -0.0082 1321 GLN 86 HG2 -0.0039 0.0116 -0.0124 1322 GLN 86 HE22 -0.0061 0.0111 -0.0102 1323 GLN 86 HE21 -0.0079 0.0089 -0.0071 1324 ASP 87 N 0.0011 -0.0017 -0.0130 1325 ASP 87 CA 0.0049 -0.0064 -0.0137 1326 ASP 87 C 0.0049 -0.0064 -0.0137 1327 ASP 87 O 0.0068 -0.0103 -0.0119 1328 ASP 87 CB 0.0082 -0.0072 -0.0191 1329 ASP 87 CG 0.0095 -0.0090 -0.0191 1330 ASP 87 OD1 0.0081 -0.0102 -0.0147 1331 ASP 87 OD2 0.0120 -0.0095 -0.0235 1332 ASP 87 H 0.0009 0.0009 -0.0162 1333 ASP 87 HA 0.0054 -0.0094 -0.0104 1334 ASP 87 HB3 0.0107 -0.0098 -0.0204 1335 ASP 87 HB2 0.0074 -0.0038 -0.0224 1336 ASN 88 N 0.0079 -0.0039 -0.0137 1337 ASN 88 CA 0.0077 -0.0030 -0.0145 1338 ASN 88 C 0.0042 -0.0023 -0.0080 1339 ASN 88 O 0.0008 0.0016 -0.0054 1340 ASN 88 CB 0.0068 0.0031 -0.0194 1341 ASN 88 CG 0.0071 0.0040 -0.0210 1342 ASN 88 OD1 0.0047 0.0050 -0.0172 1343 ASN 88 ND2 0.0102 0.0035 -0.0269 1344 ASN 88 H 0.0066 -0.0002 -0.0152 1345 ASN 88 HA 0.0106 -0.0069 -0.0160 1346 ASN 88 HB3 0.0037 0.0070 -0.0174 1347 ASN 88 HB2 0.0089 0.0030 -0.0237 1348 ASN 88 HD22 0.0107 0.0040 -0.0284 1349 ASN 88 HD21 0.0122 0.0025 -0.0298 1350 ILE 89 N 0.0041 -0.0008 -0.0019 1351 ILE 89 CA 0.0028 -0.0007 0.0015 1352 ILE 89 C 0.0008 0.0011 0.0022 1353 ILE 89 O -0.0002 0.0011 0.0051 1354 ILE 89 CB 0.0045 -0.0035 0.0038 1355 ILE 89 CG1 0.0058 -0.0048 0.0033 1356 ILE 89 CG2 0.0061 -0.0052 0.0034 1357 ILE 89 CD1 0.0073 -0.0074 0.0057 1358 ILE 89 H 0.0055 -0.0020 -0.0028 1359 ILE 89 HA 0.0018 0.0000 0.0022 1360 ILE 89 HB 0.0033 -0.0033 0.0064 1361 ILE 89 HG13 0.0046 -0.0034 0.0034 1362 ILE 89 HG12 0.0070 -0.0050 0.0007 1363 ILE 89 HG21 0.0073 -0.0071 0.0050 1364 ILE 89 HG22 0.0050 -0.0042 0.0041 1365 ILE 89 HG23 0.0072 -0.0053 0.0009 1366 ILE 89 HD11 0.0082 -0.0082 0.0052 1367 ILE 89 HD12 0.0061 -0.0071 0.0082 1368 ILE 89 HD13 0.0087 -0.0088 0.0055 1369 ALA 90 N 0.0042 0.0021 -0.0005 1370 ALA 90 CA 0.0024 0.0046 -0.0002 1371 ALA 90 C 0.0002 0.0068 0.0027 1372 ALA 90 O -0.0008 0.0076 0.0049 1373 ALA 90 CB 0.0019 0.0066 -0.0040 1374 ALA 90 H 0.0049 0.0019 -0.0031 1375 ALA 90 HA 0.0030 0.0034 0.0008 1376 ALA 90 HB1 0.0005 0.0084 -0.0036 1377 ALA 90 HB2 0.0034 0.0050 -0.0060 1378 ALA 90 HB3 0.0013 0.0077 -0.0051 1379 ASP 91 N -0.0037 0.0060 0.0009 1380 ASP 91 CA -0.0059 0.0068 0.0020 1381 ASP 91 C -0.0045 0.0064 0.0050 1382 ASP 91 O -0.0063 0.0071 0.0074 1383 ASP 91 CB -0.0067 0.0069 -0.0010 1384 ASP 91 CG -0.0090 0.0076 -0.0037 1385 ASP 91 OD1 -0.0110 0.0083 -0.0029 1386 ASP 91 OD2 -0.0089 0.0075 -0.0066 1387 ASP 91 H -0.0026 0.0055 -0.0014 1388 ASP 91 HA -0.0082 0.0076 0.0028 1389 ASP 91 HB3 -0.0078 0.0073 -0.0001 1390 ASP 91 HB2 -0.0045 0.0061 -0.0023 1391 ALA 92 N -0.0037 0.0063 0.0071 1392 ALA 92 CA -0.0034 0.0054 0.0089 1393 ALA 92 C -0.0035 0.0056 0.0094 1394 ALA 92 O -0.0038 0.0059 0.0111 1395 ALA 92 CB -0.0025 0.0035 0.0090 1396 ALA 92 H -0.0033 0.0056 0.0060 1397 ALA 92 HA -0.0038 0.0061 0.0101 1398 ALA 92 HB1 -0.0023 0.0029 0.0104 1399 ALA 92 HB2 -0.0025 0.0035 0.0087 1400 ALA 92 HB3 -0.0021 0.0028 0.0078 1401 VAL 93 N 0.0043 0.0063 0.0124 1402 VAL 93 CA 0.0046 0.0053 0.0124 1403 VAL 93 C 0.0038 0.0069 0.0128 1404 VAL 93 O 0.0033 0.0063 0.0139 1405 VAL 93 CB 0.0061 0.0045 0.0105 1406 VAL 93 CG1 0.0065 0.0041 0.0102 1407 VAL 93 CG2 0.0069 0.0024 0.0105 1408 VAL 93 H 0.0050 0.0065 0.0112 1409 VAL 93 HA 0.0044 0.0039 0.0135 1410 VAL 93 HB 0.0065 0.0058 0.0093 1411 VAL 93 HG11 0.0075 0.0036 0.0088 1412 VAL 93 HG12 0.0060 0.0056 0.0102 1413 VAL 93 HG13 0.0061 0.0029 0.0113 1414 VAL 93 HG21 0.0079 0.0019 0.0091 1415 VAL 93 HG22 0.0065 0.0012 0.0117 1416 VAL 93 HG23 0.0067 0.0028 0.0106 1417 ALA 94 N 0.0025 0.0079 0.0097 1418 ALA 94 CA 0.0017 0.0086 0.0100 1419 ALA 94 C 0.0027 0.0090 0.0106 1420 ALA 94 O 0.0025 0.0099 0.0113 1421 ALA 94 CB 0.0006 0.0079 0.0091 1422 ALA 94 H 0.0023 0.0071 0.0090 1423 ALA 94 HA 0.0010 0.0094 0.0104 1424 ALA 94 HB1 -0.0000 0.0084 0.0093 1425 ALA 94 HB2 -0.0002 0.0077 0.0086 1426 ALA 94 HB3 0.0012 0.0071 0.0086 1427 CYS 95 N -0.0022 0.0108 0.0107 1428 CYS 95 CA -0.0023 0.0105 0.0095 1429 CYS 95 C -0.0019 0.0112 0.0097 1430 CYS 95 O -0.0022 0.0107 0.0095 1431 CYS 95 CB -0.0021 0.0108 0.0081 1432 CYS 95 SG -0.0023 0.0105 0.0065 1433 CYS 95 H -0.0018 0.0113 0.0105 1434 CYS 95 HA -0.0029 0.0096 0.0095 1435 CYS 95 HB3 -0.0015 0.0118 0.0081 1436 CYS 95 HB2 -0.0025 0.0103 0.0080 1437 ALA 96 N 0.0032 0.0094 0.0118 1438 ALA 96 CA 0.0026 0.0089 0.0111 1439 ALA 96 C 0.0033 0.0094 0.0098 1440 ALA 96 O 0.0033 0.0094 0.0095 1441 ALA 96 CB 0.0015 0.0080 0.0107 1442 ALA 96 H 0.0028 0.0091 0.0119 1443 ALA 96 HA 0.0026 0.0089 0.0118 1444 ALA 96 HB1 0.0011 0.0076 0.0102 1445 ALA 96 HB2 0.0011 0.0076 0.0117 1446 ALA 96 HB3 0.0016 0.0080 0.0101 1447 LYS 97 N 0.0083 0.0086 0.0108 1448 LYS 97 CA 0.0096 0.0081 0.0094 1449 LYS 97 C 0.0103 0.0083 0.0094 1450 LYS 97 O 0.0105 0.0076 0.0082 1451 LYS 97 CB 0.0112 0.0085 0.0093 1452 LYS 97 CG 0.0106 0.0080 0.0088 1453 LYS 97 CD 0.0122 0.0084 0.0088 1454 LYS 97 CE 0.0118 0.0079 0.0082 1455 LYS 97 NZ 0.0133 0.0085 0.0084 1456 LYS 97 H 0.0085 0.0092 0.0116 1457 LYS 97 HA 0.0089 0.0073 0.0083 1458 LYS 97 HB3 0.0123 0.0083 0.0084 1459 LYS 97 HB2 0.0117 0.0093 0.0105 1460 LYS 97 HG3 0.0095 0.0082 0.0096 1461 LYS 97 HG2 0.0102 0.0072 0.0076 1462 LYS 97 HD3 0.0134 0.0083 0.0081 1463 LYS 97 HD2 0.0126 0.0093 0.0100 1464 LYS 97 HE3 0.0105 0.0080 0.0089 1465 LYS 97 HE2 0.0116 0.0071 0.0069 1466 LYS 97 HZ1 0.0128 0.0084 0.0084 1467 LYS 97 HZ2 0.0138 0.0092 0.0094 1468 LYS 97 HZ3 0.0142 0.0081 0.0074 1469 ARG 98 N 0.0084 0.0132 0.0096 1470 ARG 98 CA 0.0086 0.0109 0.0075 1471 ARG 98 C 0.0089 0.0120 0.0048 1472 ARG 98 O 0.0090 0.0107 0.0036 1473 ARG 98 CB 0.0087 0.0093 0.0071 1474 ARG 98 CG 0.0090 0.0073 0.0046 1475 ARG 98 CD 0.0090 0.0048 0.0051 1476 ARG 98 NE 0.0093 0.0031 0.0025 1477 ARG 98 CZ 0.0095 0.0034 0.0004 1478 ARG 98 NH1 0.0095 0.0056 0.0002 1479 ARG 98 NH2 0.0097 0.0015 -0.0017 1480 ARG 98 H 0.0083 0.0136 0.0103 1481 ARG 98 HA 0.0086 0.0094 0.0084 1482 ARG 98 HB3 0.0087 0.0108 0.0067 1483 ARG 98 HB2 0.0085 0.0081 0.0090 1484 ARG 98 HG3 0.0092 0.0084 0.0027 1485 ARG 98 HG2 0.0091 0.0064 0.0042 1486 ARG 98 HD3 0.0088 0.0035 0.0068 1487 ARG 98 HD2 0.0089 0.0057 0.0056 1488 ARG 98 HE 0.0093 0.0015 0.0024 1489 ARG 98 HH12 0.0096 0.0058 -0.0014 1490 ARG 98 HH11 0.0093 0.0071 0.0017 1491 ARG 98 HH22 0.0099 0.0016 -0.0033 1492 ARG 98 HH21 0.0098 -0.0002 -0.0015 1493 VAL 99 N 0.0073 0.0111 0.0071 1494 VAL 99 CA 0.0060 0.0109 0.0060 1495 VAL 99 C 0.0060 0.0099 0.0047 1496 VAL 99 O 0.0058 0.0092 0.0036 1497 VAL 99 CB 0.0044 0.0118 0.0064 1498 VAL 99 CG1 0.0030 0.0115 0.0053 1499 VAL 99 CG2 0.0043 0.0128 0.0078 1500 VAL 99 H 0.0071 0.0118 0.0079 1501 VAL 99 HA 0.0061 0.0108 0.0060 1502 VAL 99 HB 0.0044 0.0119 0.0066 1503 VAL 99 HG11 0.0019 0.0122 0.0056 1504 VAL 99 HG12 0.0031 0.0108 0.0044 1505 VAL 99 HG13 0.0030 0.0113 0.0050 1506 VAL 99 HG21 0.0031 0.0134 0.0080 1507 VAL 99 HG22 0.0043 0.0127 0.0076 1508 VAL 99 HG23 0.0052 0.0130 0.0086 1509 VAL 100 N 0.0115 0.0101 0.0062 1510 VAL 100 CA 0.0111 0.0095 0.0038 1511 VAL 100 C 0.0133 0.0096 0.0023 1512 VAL 100 O 0.0132 0.0091 0.0002 1513 VAL 100 CB 0.0094 0.0090 0.0029 1514 VAL 100 CG1 0.0071 0.0088 0.0042 1515 VAL 100 CG2 0.0103 0.0092 0.0030 1516 VAL 100 H 0.0112 0.0102 0.0070 1517 VAL 100 HA 0.0103 0.0093 0.0035 1518 VAL 100 HB 0.0091 0.0085 0.0011 1519 VAL 100 HG11 0.0059 0.0084 0.0036 1520 VAL 100 HG12 0.0064 0.0086 0.0040 1521 VAL 100 HG13 0.0073 0.0092 0.0061 1522 VAL 100 HG21 0.0090 0.0088 0.0024 1523 VAL 100 HG22 0.0107 0.0096 0.0048 1524 VAL 100 HG23 0.0118 0.0092 0.0019 1525 ARG 101 N 0.0159 0.0100 -0.0000 1526 ARG 101 CA 0.0174 0.0095 -0.0007 1527 ARG 101 C 0.0187 0.0094 -0.0022 1528 ARG 101 O 0.0198 0.0092 -0.0033 1529 ARG 101 CB 0.0182 0.0084 0.0009 1530 ARG 101 CG 0.0171 0.0086 0.0020 1531 ARG 101 CD 0.0181 0.0076 0.0032 1532 ARG 101 NE 0.0188 0.0067 0.0046 1533 ARG 101 CZ 0.0180 0.0064 0.0063 1534 ARG 101 NH1 0.0163 0.0071 0.0069 1535 ARG 101 NH2 0.0188 0.0055 0.0075 1536 ARG 101 H 0.0160 0.0095 0.0012 1537 ARG 101 HA 0.0168 0.0101 -0.0013 1538 ARG 101 HB3 0.0195 0.0080 0.0003 1539 ARG 101 HB2 0.0185 0.0079 0.0018 1540 ARG 101 HG3 0.0160 0.0089 0.0028 1541 ARG 101 HG2 0.0166 0.0093 0.0010 1542 ARG 101 HD3 0.0172 0.0078 0.0038 1543 ARG 101 HD2 0.0192 0.0074 0.0023 1544 ARG 101 HE 0.0200 0.0062 0.0041 1545 ARG 101 HH12 0.0157 0.0069 0.0082 1546 ARG 101 HH11 0.0156 0.0079 0.0060 1547 ARG 101 HH22 0.0182 0.0053 0.0089 1548 ARG 101 HH21 0.0201 0.0049 0.0071 1549 ASP 102 N 0.0224 0.0128 -0.0037 1550 ASP 102 CA 0.0250 0.0134 -0.0054 1551 ASP 102 C 0.0232 0.0151 -0.0092 1552 ASP 102 O 0.0195 0.0156 -0.0097 1553 ASP 102 CB 0.0252 0.0123 -0.0027 1554 ASP 102 CG 0.0286 0.0108 0.0002 1555 ASP 102 OD1 0.0303 0.0106 0.0005 1556 ASP 102 OD2 0.0295 0.0099 0.0022 1557 ASP 102 H 0.0204 0.0120 -0.0016 1558 ASP 102 HA 0.0281 0.0135 -0.0059 1559 ASP 102 HB3 0.0258 0.0129 -0.0043 1560 ASP 102 HB2 0.0223 0.0118 -0.0012 1561 PRO 103 N 0.0587 0.0328 -0.0248 1562 PRO 103 CA 0.0531 0.0406 -0.0393 1563 PRO 103 C 0.0384 0.0336 -0.0384 1564 PRO 103 O 0.0261 0.0376 -0.0518 1565 PRO 103 CB 0.0723 0.0496 -0.0402 1566 PRO 103 CG 0.0868 0.0508 -0.0329 1567 PRO 103 CD 0.0790 0.0377 -0.0192 1568 PRO 103 HA 0.0480 0.0464 -0.0507 1569 PRO 103 HB3 0.0726 0.0590 -0.0534 1570 PRO 103 HB2 0.0748 0.0451 -0.0323 1571 PRO 103 HG3 0.0878 0.0581 -0.0427 1572 PRO 103 HG2 0.1002 0.0525 -0.0271 1573 PRO 103 HD2 0.0841 0.0315 -0.0073 1574 PRO 103 HD3 0.0825 0.0390 -0.0189 1575 GLN 104 N 0.0172 0.0088 -0.0136 1576 GLN 104 CA 0.0100 0.0074 -0.0134 1577 GLN 104 C 0.0080 0.0068 -0.0137 1578 GLN 104 O 0.0026 0.0052 -0.0150 1579 GLN 104 CB 0.0072 0.0090 -0.0069 1580 GLN 104 CG 0.0043 0.0086 -0.0065 1581 GLN 104 CD 0.0003 0.0099 -0.0003 1582 GLN 104 OE1 -0.0048 0.0088 -0.0002 1583 GLN 104 NE2 0.0027 0.0122 0.0048 1584 GLN 104 H 0.0191 0.0106 -0.0098 1585 GLN 104 HA 0.0081 0.0056 -0.0172 1586 GLN 104 HB3 0.0037 0.0090 -0.0050 1587 GLN 104 HB2 0.0109 0.0110 -0.0036 1588 GLN 104 HG3 0.0081 0.0092 -0.0071 1589 GLN 104 HG2 0.0013 0.0066 -0.0103 1590 GLN 104 HE22 0.0003 0.0131 0.0090 1591 GLN 104 HE21 0.0068 0.0129 0.0044 1592 GLY 105 N 0.0096 0.0094 -0.0086 1593 GLY 105 CA 0.0069 0.0085 -0.0090 1594 GLY 105 C 0.0028 0.0075 -0.0055 1595 GLY 105 O 0.0029 0.0079 -0.0012 1596 GLY 105 H 0.0129 0.0106 -0.0076 1597 GLY 105 HA3 0.0057 0.0079 -0.0127 1598 GLY 105 HA2 0.0092 0.0093 -0.0083 1599 ILE 106 N 0.0025 0.0006 -0.0011 1600 ILE 106 CA 0.0001 0.0022 0.0004 1601 ILE 106 C -0.0034 0.0021 0.0002 1602 ILE 106 O -0.0056 0.0037 0.0016 1603 ILE 106 CB 0.0001 0.0018 -0.0001 1604 ILE 106 CG1 -0.0016 0.0038 0.0018 1605 ILE 106 CG2 -0.0012 -0.0007 -0.0025 1606 ILE 106 CD1 -0.0004 0.0040 0.0021 1607 ILE 106 H 0.0033 -0.0009 -0.0026 1608 ILE 106 HA 0.0010 0.0041 0.0022 1609 ILE 106 HB 0.0028 0.0017 0.0000 1610 ILE 106 HG13 -0.0014 0.0055 0.0035 1611 ILE 106 HG12 -0.0044 0.0035 0.0014 1612 ILE 106 HG21 -0.0011 -0.0010 -0.0028 1613 ILE 106 HG22 0.0005 -0.0021 -0.0038 1614 ILE 106 HG23 -0.0038 -0.0009 -0.0028 1615 ILE 106 HD11 -0.0018 0.0055 0.0034 1616 ILE 106 HD12 0.0023 0.0044 0.0026 1617 ILE 106 HD13 -0.0007 0.0023 0.0004 1618 ARG 107 N -0.0061 -0.0014 -0.0059 1619 ARG 107 CA -0.0108 -0.0011 -0.0074 1620 ARG 107 C -0.0118 0.0015 -0.0056 1621 ARG 107 O -0.0160 0.0025 -0.0065 1622 ARG 107 CB -0.0114 -0.0051 -0.0110 1623 ARG 107 CG -0.0115 -0.0076 -0.0130 1624 ARG 107 CD -0.0118 -0.0118 -0.0165 1625 ARG 107 NE -0.0105 -0.0143 -0.0181 1626 ARG 107 CZ -0.0065 -0.0141 -0.0165 1627 ARG 107 NH1 -0.0027 -0.0138 -0.0148 1628 ARG 107 NH2 -0.0064 -0.0143 -0.0166 1629 ARG 107 H -0.0036 -0.0038 -0.0070 1630 ARG 107 HA -0.0133 0.0000 -0.0074 1631 ARG 107 HB3 -0.0147 -0.0049 -0.0120 1632 ARG 107 HB2 -0.0086 -0.0065 -0.0111 1633 ARG 107 HG3 -0.0083 -0.0077 -0.0119 1634 ARG 107 HG2 -0.0144 -0.0063 -0.0130 1635 ARG 107 HD3 -0.0154 -0.0118 -0.0179 1636 ARG 107 HD2 -0.0094 -0.0128 -0.0165 1637 ARG 107 HE -0.0125 -0.0161 -0.0203 1638 ARG 107 HH12 0.0003 -0.0137 -0.0136 1639 ARG 107 HH11 -0.0028 -0.0137 -0.0147 1640 ARG 107 HH22 -0.0034 -0.0142 -0.0154 1641 ARG 107 HH21 -0.0093 -0.0146 -0.0179 1642 ALA 108 N -0.0048 0.0054 -0.0012 1643 ALA 108 CA -0.0050 0.0078 0.0018 1644 ALA 108 C -0.0088 0.0097 0.0040 1645 ALA 108 O -0.0106 0.0112 0.0058 1646 ALA 108 CB -0.0009 0.0093 0.0039 1647 ALA 108 H -0.0021 0.0050 -0.0016 1648 ALA 108 HA -0.0056 0.0071 0.0009 1649 ALA 108 HB1 -0.0012 0.0110 0.0061 1650 ALA 108 HB2 0.0017 0.0079 0.0023 1651 ALA 108 HB3 -0.0002 0.0099 0.0047 1652 TRP 109 N -0.0085 0.0066 0.0027 1653 TRP 109 CA -0.0107 0.0079 0.0040 1654 TRP 109 C -0.0132 0.0075 0.0022 1655 TRP 109 O -0.0137 0.0068 0.0008 1656 TRP 109 CB -0.0106 0.0086 0.0053 1657 TRP 109 CG -0.0087 0.0093 0.0074 1658 TRP 109 CD1 -0.0090 0.0106 0.0097 1659 TRP 109 CD2 -0.0061 0.0088 0.0076 1660 TRP 109 NE1 -0.0069 0.0109 0.0111 1661 TRP 109 CE2 -0.0051 0.0099 0.0099 1662 TRP 109 CE3 -0.0047 0.0076 0.0060 1663 TRP 109 CZ2 -0.0026 0.0097 0.0107 1664 TRP 109 CZ3 -0.0022 0.0074 0.0067 1665 TRP 109 CH2 -0.0012 0.0085 0.0090 1666 TRP 109 H -0.0077 0.0061 0.0021 1667 TRP 109 HA -0.0108 0.0086 0.0052 1668 TRP 109 HB3 -0.0125 0.0093 0.0058 1669 TRP 109 HB2 -0.0104 0.0079 0.0042 1670 TRP 109 HD1 -0.0108 0.0112 0.0100 1671 TRP 109 HE1 -0.0068 0.0119 0.0129 1672 TRP 109 HE3 -0.0054 0.0067 0.0042 1673 TRP 109 HZ2 -0.0018 0.0105 0.0125 1674 TRP 109 HZ3 -0.0011 0.0064 0.0054 1675 TRP 109 HH2 0.0007 0.0083 0.0096 1676 VAL 110 N -0.0221 0.0128 -0.0051 1677 VAL 110 CA -0.0276 0.0098 -0.0069 1678 VAL 110 C -0.0254 0.0112 -0.0061 1679 VAL 110 O -0.0269 0.0062 -0.0073 1680 VAL 110 CB -0.0361 0.0122 -0.0085 1681 VAL 110 CG1 -0.0385 0.0114 -0.0092 1682 VAL 110 CG2 -0.0384 0.0197 -0.0078 1683 VAL 110 H -0.0237 0.0169 -0.0047 1684 VAL 110 HA -0.0273 0.0034 -0.0079 1685 VAL 110 HB -0.0393 0.0078 -0.0100 1686 VAL 110 HG11 -0.0446 0.0133 -0.0103 1687 VAL 110 HG12 -0.0377 0.0054 -0.0100 1688 VAL 110 HG13 -0.0350 0.0151 -0.0077 1689 VAL 110 HG21 -0.0445 0.0211 -0.0090 1690 VAL 110 HG22 -0.0349 0.0243 -0.0061 1691 VAL 110 HG23 -0.0376 0.0191 -0.0077 1692 ALA 111 N -0.0168 0.0079 -0.0043 1693 ALA 111 CA -0.0167 0.0085 -0.0041 1694 ALA 111 C -0.0153 0.0069 -0.0043 1695 ALA 111 O -0.0158 0.0066 -0.0046 1696 ALA 111 CB -0.0159 0.0106 -0.0030 1697 ALA 111 H -0.0163 0.0089 -0.0038 1698 ALA 111 HA -0.0183 0.0086 -0.0045 1699 ALA 111 HB1 -0.0159 0.0109 -0.0028 1700 ALA 111 HB2 -0.0169 0.0117 -0.0028 1701 ALA 111 HB3 -0.0143 0.0105 -0.0025 1702 TRP 112 N -0.0143 0.0058 -0.0043 1703 TRP 112 CA -0.0133 0.0045 -0.0038 1704 TRP 112 C -0.0143 0.0032 -0.0053 1705 TRP 112 O -0.0142 0.0032 -0.0052 1706 TRP 112 CB -0.0116 0.0029 -0.0028 1707 TRP 112 CG -0.0104 0.0017 -0.0021 1708 TRP 112 CD1 -0.0091 0.0024 -0.0006 1709 TRP 112 CD2 -0.0104 -0.0005 -0.0030 1710 TRP 112 NE1 -0.0084 0.0008 -0.0005 1711 TRP 112 CE2 -0.0091 -0.0010 -0.0019 1712 TRP 112 CE3 -0.0113 -0.0020 -0.0045 1713 TRP 112 CZ2 -0.0088 -0.0029 -0.0024 1714 TRP 112 CZ3 -0.0110 -0.0040 -0.0050 1715 TRP 112 CH2 -0.0097 -0.0045 -0.0039 1716 TRP 112 H -0.0141 0.0054 -0.0042 1717 TRP 112 HA -0.0128 0.0057 -0.0029 1718 TRP 112 HB3 -0.0120 0.0016 -0.0037 1719 TRP 112 HB2 -0.0109 0.0038 -0.0017 1720 TRP 112 HD1 -0.0089 0.0040 0.0003 1721 TRP 112 HE1 -0.0074 0.0011 0.0006 1722 TRP 112 HE3 -0.0123 -0.0017 -0.0054 1723 TRP 112 HZ2 -0.0078 -0.0033 -0.0015 1724 TRP 112 HZ3 -0.0118 -0.0053 -0.0062 1725 TRP 112 HH2 -0.0095 -0.0060 -0.0043 1726 ARG 113 N -0.0145 0.0065 -0.0096 1727 ARG 113 CA -0.0175 0.0018 -0.0097 1728 ARG 113 C -0.0187 0.0030 -0.0101 1729 ARG 113 O -0.0184 -0.0007 -0.0096 1730 ARG 113 CB -0.0230 0.0008 -0.0108 1731 ARG 113 CG -0.0225 -0.0002 -0.0106 1732 ARG 113 CD -0.0281 -0.0011 -0.0118 1733 ARG 113 NE -0.0282 0.0005 -0.0120 1734 ARG 113 CZ -0.0326 0.0014 -0.0132 1735 ARG 113 NH1 -0.0376 0.0007 -0.0143 1736 ARG 113 NH2 -0.0322 0.0029 -0.0133 1737 ARG 113 H -0.0162 0.0087 -0.0102 1738 ARG 113 HA -0.0151 -0.0019 -0.0087 1739 ARG 113 HB3 -0.0252 -0.0028 -0.0109 1740 ARG 113 HB2 -0.0256 0.0043 -0.0119 1741 ARG 113 HG3 -0.0204 0.0033 -0.0106 1742 ARG 113 HG2 -0.0201 -0.0039 -0.0096 1743 ARG 113 HD3 -0.0294 -0.0055 -0.0116 1744 ARG 113 HD2 -0.0311 0.0013 -0.0128 1745 ARG 113 HE -0.0245 0.0009 -0.0112 1746 ARG 113 HH12 -0.0410 0.0014 -0.0151 1747 ARG 113 HH11 -0.0379 -0.0005 -0.0142 1748 ARG 113 HH22 -0.0356 0.0036 -0.0141 1749 ARG 113 HH21 -0.0285 0.0034 -0.0124 1750 ASN 114 N -0.0245 0.0043 -0.0096 1751 ASN 114 CA -0.0258 0.0061 -0.0103 1752 ASN 114 C -0.0196 0.0067 -0.0089 1753 ASN 114 O -0.0200 0.0048 -0.0086 1754 ASN 114 CB -0.0293 0.0129 -0.0124 1755 ASN 114 CG -0.0357 0.0133 -0.0140 1756 ASN 114 OD1 -0.0386 0.0088 -0.0139 1757 ASN 114 ND2 -0.0378 0.0198 -0.0157 1758 ASN 114 H -0.0249 0.0078 -0.0104 1759 ASN 114 HA -0.0292 0.0021 -0.0104 1760 ASN 114 HB3 -0.0303 0.0140 -0.0129 1761 ASN 114 HB2 -0.0258 0.0170 -0.0123 1762 ASN 114 HD22 -0.0420 0.0208 -0.0170 1763 ASN 114 HD21 -0.0350 0.0237 -0.0158 1764 ARG 115 N -0.0129 0.0045 -0.0104 1765 ARG 115 CA -0.0109 0.0075 -0.0079 1766 ARG 115 C -0.0095 0.0062 -0.0038 1767 ARG 115 O -0.0078 0.0087 -0.0016 1768 ARG 115 CB -0.0104 0.0094 -0.0080 1769 ARG 115 CG -0.0114 0.0113 -0.0118 1770 ARG 115 CD -0.0105 0.0154 -0.0126 1771 ARG 115 NE -0.0115 0.0171 -0.0163 1772 ARG 115 CZ -0.0110 0.0208 -0.0176 1773 ARG 115 NH1 -0.0093 0.0228 -0.0154 1774 ARG 115 NH2 -0.0120 0.0222 -0.0210 1775 ARG 115 H -0.0135 0.0026 -0.0102 1776 ARG 115 HA -0.0107 0.0097 -0.0090 1777 ARG 115 HB3 -0.0088 0.0116 -0.0060 1778 ARG 115 HB2 -0.0106 0.0073 -0.0069 1779 ARG 115 HG3 -0.0115 0.0113 -0.0119 1780 ARG 115 HG2 -0.0129 0.0095 -0.0139 1781 ARG 115 HD3 -0.0106 0.0153 -0.0127 1782 ARG 115 HD2 -0.0090 0.0171 -0.0104 1783 ARG 115 HE -0.0127 0.0155 -0.0178 1784 ARG 115 HH12 -0.0089 0.0256 -0.0163 1785 ARG 115 HH11 -0.0086 0.0216 -0.0128 1786 ARG 115 HH22 -0.0116 0.0249 -0.0221 1787 ARG 115 HH21 -0.0133 0.0205 -0.0226 1788 CYS 116 N -0.0093 0.0065 -0.0062 1789 CYS 116 CA -0.0092 0.0061 -0.0049 1790 CYS 116 C -0.0087 0.0056 -0.0064 1791 CYS 116 O -0.0091 0.0062 -0.0059 1792 CYS 116 CB -0.0083 0.0046 -0.0030 1793 CYS 116 SG -0.0087 0.0049 -0.0011 1794 CYS 116 H -0.0085 0.0054 -0.0071 1795 CYS 116 HA -0.0102 0.0075 -0.0041 1796 CYS 116 HB3 -0.0083 0.0044 -0.0020 1797 CYS 116 HB2 -0.0073 0.0032 -0.0038 1798 GLN 117 N -0.0134 0.0051 -0.0101 1799 GLN 117 CA -0.0141 0.0038 -0.0086 1800 GLN 117 C -0.0126 0.0087 -0.0078 1801 GLN 117 O -0.0107 0.0121 -0.0112 1802 GLN 117 CB -0.0144 0.0001 -0.0132 1803 GLN 117 CG -0.0153 -0.0016 -0.0122 1804 GLN 117 CD -0.0160 -0.0061 -0.0163 1805 GLN 117 OE1 -0.0174 -0.0091 -0.0146 1806 GLN 117 NE2 -0.0152 -0.0067 -0.0208 1807 GLN 117 H -0.0131 0.0036 -0.0137 1808 GLN 117 HA -0.0157 0.0018 -0.0049 1809 GLN 117 HB3 -0.0129 0.0020 -0.0171 1810 GLN 117 HB2 -0.0155 -0.0034 -0.0139 1811 GLN 117 HG3 -0.0166 -0.0028 -0.0081 1812 GLN 117 HG2 -0.0140 0.0018 -0.0125 1813 GLN 117 HE22 -0.0157 -0.0097 -0.0234 1814 GLN 117 HE21 -0.0141 -0.0043 -0.0220 1815 ASN 118 N -0.0186 0.0560 0.0081 1816 ASN 118 CA -0.0104 0.0730 0.0149 1817 ASN 118 C -0.0095 0.0567 0.0112 1818 ASN 118 O 0.0054 0.0639 0.0179 1819 ASN 118 CB 0.0173 0.0865 0.0273 1820 ASN 118 CG 0.0169 0.1056 0.0318 1821 ASN 118 OD1 -0.0030 0.1227 0.0294 1822 ASN 118 ND2 0.0389 0.1024 0.0383 1823 ASN 118 H -0.0357 0.0624 0.0040 1824 ASN 118 HA -0.0265 0.0906 0.0138 1825 ASN 118 HB3 0.0224 0.0989 0.0320 1826 ASN 118 HB2 0.0341 0.0697 0.0288 1827 ASN 118 HD22 0.0396 0.1147 0.0415 1828 ASN 118 HD21 0.0548 0.0878 0.0400 1829 ARG 119 N -0.0068 0.0183 -0.0062 1830 ARG 119 CA -0.0070 0.0175 -0.0064 1831 ARG 119 C -0.0076 0.0175 -0.0071 1832 ARG 119 O -0.0079 0.0179 -0.0074 1833 ARG 119 CB -0.0068 0.0168 -0.0063 1834 ARG 119 CG -0.0062 0.0166 -0.0056 1835 ARG 119 CD -0.0060 0.0157 -0.0055 1836 ARG 119 NE -0.0054 0.0157 -0.0049 1837 ARG 119 CZ -0.0051 0.0150 -0.0045 1838 ARG 119 NH1 -0.0052 0.0145 -0.0047 1839 ARG 119 NH2 -0.0046 0.0150 -0.0040 1840 ARG 119 H -0.0070 0.0184 -0.0064 1841 ARG 119 HA -0.0068 0.0175 -0.0062 1842 ARG 119 HB3 -0.0070 0.0162 -0.0065 1843 ARG 119 HB2 -0.0069 0.0169 -0.0064 1844 ARG 119 HG3 -0.0060 0.0170 -0.0053 1845 ARG 119 HG2 -0.0060 0.0166 -0.0054 1846 ARG 119 HD3 -0.0061 0.0152 -0.0056 1847 ARG 119 HD2 -0.0063 0.0156 -0.0058 1848 ARG 119 HE -0.0053 0.0161 -0.0047 1849 ARG 119 HH12 -0.0049 0.0140 -0.0044 1850 ARG 119 HH11 -0.0056 0.0146 -0.0051 1851 ARG 119 HH22 -0.0043 0.0145 -0.0037 1852 ARG 119 HH21 -0.0045 0.0154 -0.0039 1853 ASP 120 N 0.0014 0.0201 -0.0106 1854 ASP 120 CA 0.0007 0.0202 -0.0090 1855 ASP 120 C 0.0006 0.0194 -0.0080 1856 ASP 120 O 0.0004 0.0199 -0.0081 1857 ASP 120 CB -0.0001 0.0220 -0.0090 1858 ASP 120 CG -0.0009 0.0224 -0.0076 1859 ASP 120 OD1 -0.0009 0.0213 -0.0065 1860 ASP 120 OD2 -0.0016 0.0237 -0.0074 1861 ASP 120 H 0.0014 0.0209 -0.0112 1862 ASP 120 HA 0.0007 0.0198 -0.0087 1863 ASP 120 HB3 -0.0002 0.0223 -0.0090 1864 ASP 120 HB2 0.0001 0.0226 -0.0100 1865 VAL 121 N -0.0007 0.0109 -0.0039 1866 VAL 121 CA -0.0004 0.0110 -0.0024 1867 VAL 121 C -0.0001 0.0114 -0.0006 1868 VAL 121 O 0.0003 0.0114 0.0008 1869 VAL 121 CB 0.0007 0.0098 -0.0024 1870 VAL 121 CG1 0.0003 0.0096 -0.0039 1871 VAL 121 CG2 0.0018 0.0084 -0.0023 1872 VAL 121 H -0.0000 0.0100 -0.0041 1873 VAL 121 HA -0.0011 0.0120 -0.0024 1874 VAL 121 HB 0.0008 0.0100 -0.0012 1875 VAL 121 HG11 0.0010 0.0087 -0.0039 1876 VAL 121 HG12 -0.0005 0.0106 -0.0038 1877 VAL 121 HG13 0.0001 0.0095 -0.0052 1878 VAL 121 HG21 0.0025 0.0075 -0.0024 1879 VAL 121 HG22 0.0017 0.0081 -0.0035 1880 VAL 121 HG23 0.0021 0.0085 -0.0011 1881 ARG 122 N 0.0063 0.0125 -0.0042 1882 ARG 122 CA 0.0016 0.0121 -0.0025 1883 ARG 122 C -0.0002 0.0096 -0.0009 1884 ARG 122 O -0.0034 0.0077 0.0009 1885 ARG 122 CB -0.0008 0.0164 -0.0033 1886 ARG 122 CG -0.0034 0.0182 -0.0031 1887 ARG 122 CD -0.0074 0.0210 -0.0029 1888 ARG 122 NE -0.0064 0.0254 -0.0049 1889 ARG 122 CZ -0.0026 0.0261 -0.0064 1890 ARG 122 NH1 -0.0015 0.0243 -0.0061 1891 ARG 122 NH2 -0.0002 0.0285 -0.0082 1892 ARG 122 H 0.0073 0.0154 -0.0056 1893 ARG 122 HA 0.0014 0.0103 -0.0017 1894 ARG 122 HB3 0.0014 0.0187 -0.0049 1895 ARG 122 HB2 -0.0030 0.0163 -0.0026 1896 ARG 122 HG3 -0.0043 0.0156 -0.0018 1897 ARG 122 HG2 -0.0014 0.0200 -0.0045 1898 ARG 122 HD3 -0.0088 0.0198 -0.0019 1899 ARG 122 HD2 -0.0098 0.0211 -0.0021 1900 ARG 122 HE -0.0086 0.0278 -0.0051 1901 ARG 122 HH12 0.0013 0.0249 -0.0073 1902 ARG 122 HH11 -0.0034 0.0225 -0.0048 1903 ARG 122 HH22 0.0027 0.0291 -0.0094 1904 ARG 122 HH21 -0.0011 0.0299 -0.0084 1905 GLN 123 N 0.0008 0.0059 -0.0024 1906 GLN 123 CA -0.0011 0.0058 -0.0004 1907 GLN 123 C -0.0000 0.0055 0.0021 1908 GLN 123 O -0.0012 0.0054 0.0037 1909 GLN 123 CB -0.0025 0.0059 -0.0002 1910 GLN 123 CG -0.0010 0.0057 0.0010 1911 GLN 123 CD -0.0023 0.0058 0.0008 1912 GLN 123 OE1 -0.0012 0.0058 -0.0003 1913 GLN 123 NE2 -0.0044 0.0058 0.0021 1914 GLN 123 H 0.0009 0.0060 -0.0034 1915 GLN 123 HA -0.0024 0.0060 -0.0009 1916 GLN 123 HB3 -0.0032 0.0061 -0.0020 1917 GLN 123 HB2 -0.0043 0.0059 0.0009 1918 GLN 123 HG3 -0.0007 0.0055 0.0030 1919 GLN 123 HG2 0.0008 0.0057 0.0002 1920 GLN 123 HE22 -0.0053 0.0058 0.0020 1921 GLN 123 HE21 -0.0052 0.0057 0.0031 1922 TYR 124 N 0.0013 0.0018 0.0046 1923 TYR 124 CA 0.0024 0.0020 0.0067 1924 TYR 124 C 0.0038 0.0018 0.0083 1925 TYR 124 O 0.0042 0.0023 0.0105 1926 TYR 124 CB 0.0037 0.0012 0.0064 1927 TYR 124 CG 0.0022 0.0015 0.0051 1928 TYR 124 CD1 0.0008 0.0026 0.0062 1929 TYR 124 CD2 0.0023 0.0007 0.0027 1930 TYR 124 CE1 -0.0006 0.0029 0.0051 1931 TYR 124 CE2 0.0009 0.0010 0.0015 1932 TYR 124 CZ -0.0005 0.0021 0.0027 1933 TYR 124 OH -0.0019 0.0024 0.0016 1934 TYR 124 H 0.0017 0.0011 0.0030 1935 TYR 124 HA 0.0011 0.0030 0.0077 1936 TYR 124 HB3 0.0045 0.0014 0.0081 1937 TYR 124 HB2 0.0051 0.0002 0.0054 1938 TYR 124 HD1 0.0007 0.0033 0.0081 1939 TYR 124 HD2 0.0034 -0.0002 0.0018 1940 TYR 124 HE1 -0.0016 0.0038 0.0060 1941 TYR 124 HE2 0.0010 0.0004 -0.0003 1942 TYR 124 HH -0.0018 0.0018 -0.0001 1943 VAL 125 N 0.0052 -0.0006 0.0054 1944 VAL 125 CA 0.0045 -0.0010 0.0063 1945 VAL 125 C 0.0023 -0.0002 0.0062 1946 VAL 125 O 0.0015 -0.0004 0.0069 1947 VAL 125 CB 0.0060 -0.0010 0.0056 1948 VAL 125 CG1 0.0082 -0.0020 0.0060 1949 VAL 125 CG2 0.0061 0.0004 0.0035 1950 VAL 125 H 0.0054 0.0003 0.0041 1951 VAL 125 HA 0.0046 -0.0021 0.0078 1952 VAL 125 HB 0.0053 -0.0012 0.0062 1953 VAL 125 HG11 0.0092 -0.0020 0.0055 1954 VAL 125 HG12 0.0080 -0.0030 0.0075 1955 VAL 125 HG13 0.0088 -0.0018 0.0054 1956 VAL 125 HG21 0.0071 0.0004 0.0030 1957 VAL 125 HG22 0.0067 0.0007 0.0028 1958 VAL 125 HG23 0.0045 0.0011 0.0032 1959 GLN 126 N 0.0004 0.0030 0.0008 1960 GLN 126 CA -0.0037 0.0039 -0.0004 1961 GLN 126 C -0.0066 0.0022 0.0025 1962 GLN 126 O -0.0069 0.0004 0.0053 1963 GLN 126 CB -0.0054 0.0052 -0.0025 1964 GLN 126 CG -0.0066 0.0038 -0.0002 1965 GLN 126 CD -0.0104 0.0048 -0.0016 1966 GLN 126 OE1 -0.0101 0.0056 -0.0028 1967 GLN 126 NE2 -0.0139 0.0048 -0.0013 1968 GLN 126 H 0.0016 0.0031 0.0005 1969 GLN 126 HA -0.0034 0.0050 -0.0022 1970 GLN 126 HB3 -0.0031 0.0064 -0.0045 1971 GLN 126 HB2 -0.0081 0.0062 -0.0039 1972 GLN 126 HG3 -0.0071 0.0022 0.0025 1973 GLN 126 HG2 -0.0040 0.0037 -0.0002 1974 GLN 126 HE22 -0.0165 0.0054 -0.0022 1975 GLN 126 HE21 -0.0139 0.0042 -0.0003 1976 GLY 127 N -0.0049 0.0020 0.0022 1977 GLY 127 CA -0.0077 0.0004 0.0040 1978 GLY 127 C -0.0068 -0.0017 0.0061 1979 GLY 127 O -0.0089 -0.0033 0.0078 1980 GLY 127 H -0.0050 0.0036 0.0005 1981 GLY 127 HA3 -0.0088 -0.0004 0.0048 1982 GLY 127 HA2 -0.0100 0.0014 0.0029 1983 CYS 128 N 0.0015 -0.0049 0.0067 1984 CYS 128 CA 0.0022 -0.0069 0.0082 1985 CYS 128 C 0.0015 -0.0071 0.0086 1986 CYS 128 O 0.0018 -0.0088 0.0100 1987 CYS 128 CB 0.0050 -0.0077 0.0079 1988 CYS 128 SG 0.0061 -0.0079 0.0077 1989 CYS 128 H 0.0028 -0.0040 0.0055 1990 CYS 128 HA 0.0013 -0.0078 0.0093 1991 CYS 128 HB3 0.0054 -0.0092 0.0090 1992 CYS 128 HB2 0.0060 -0.0069 0.0068 1993 GLY 129 N 0.0022 -0.0053 0.0080 1994 GLY 129 CA 0.0012 -0.0055 0.0086 1995 GLY 129 C 0.0039 -0.0061 0.0080 1996 GLY 129 O 0.0036 -0.0073 0.0090 1997 GLY 129 H 0.0020 -0.0034 0.0065 1998 GLY 129 HA3 -0.0002 -0.0071 0.0104 1999 GLY 129 HA2 -0.0006 -0.0037 0.0078 2000 VAL 130 N 0.0072 -0.0055 0.0050 2001 VAL 130 CA 0.0088 -0.0054 0.0048 2002 VAL 130 C 0.0093 -0.0042 0.0033 2003 VAL 130 O 0.0107 -0.0040 0.0030 2004 VAL 130 CB 0.0103 -0.0060 0.0054 2005 VAL 130 CG1 0.0101 -0.0072 0.0069 2006 VAL 130 CG2 0.0103 -0.0056 0.0049 2007 VAL 130 OXT 0.0082 -0.0036 0.0027 2008 VAL 130 H 0.0070 -0.0053 0.0048 2009 VAL 130 HA 0.0088 -0.0057 0.0052 2010 VAL 130 HB 0.0115 -0.0058 0.0051 2011 VAL 130 HG11 0.0111 -0.0077 0.0073 2012 VAL 130 HG12 0.0101 -0.0075 0.0072 2013 VAL 130 HG13 0.0089 -0.0075 0.0072 2014 VAL 130 HG21 0.0113 -0.0061 0.0054 2015 VAL 130 HG22 0.0091 -0.0057 0.0052 2016 VAL 130 HG23 0.0105 -0.0047 0.0038