1 GLY 1 N 0.0070 0.0196 -0.0564 2 GLY 1 CA 0.0172 0.0371 -0.0332 3 GLY 1 C 0.0199 0.0187 -0.0061 4 GLY 1 O 0.0159 -0.0047 0.0001 5 ARG 2 N 0.0028 0.0139 0.0005 6 ARG 2 CA 0.0088 0.0081 0.0065 7 ARG 2 C 0.0148 0.0147 0.0118 8 ARG 2 O 0.0143 0.0197 0.0109 9 ARG 2 CB 0.0076 -0.0002 0.0059 10 ARG 2 CG 0.0131 -0.0079 0.0116 11 ARG 2 CD 0.0122 -0.0160 0.0113 12 ARG 2 NE 0.0062 -0.0225 0.0060 13 ARG 2 CZ 0.0053 -0.0318 0.0058 14 ARG 2 NH1 0.0098 -0.0364 0.0103 15 ARG 2 NH2 -0.0003 -0.0365 0.0007 16 ILE 3 N 0.0321 0.0335 0.0660 17 ILE 3 CA -0.0025 -0.0131 0.0073 18 ILE 3 C -0.0202 -0.0291 -0.0657 19 ILE 3 O 0.0065 0.0200 -0.0946 20 ILE 3 CB 0.0152 0.0219 -0.0253 21 ILE 3 CG1 0.0240 0.0230 0.0497 22 ILE 3 CG2 -0.0180 -0.0193 -0.1005 23 ILE 3 CD1 0.0484 0.0669 0.0281 24 ALA 4 N -0.0143 0.0061 -0.0287 25 ALA 4 CA -0.0133 0.0060 -0.0266 26 ALA 4 C -0.0176 0.0108 -0.0268 27 ALA 4 O -0.0210 0.0120 -0.0319 28 ALA 4 CB -0.0105 0.0007 -0.0304 29 SER 5 N -0.0109 -0.0004 -0.0093 30 SER 5 CA -0.0201 0.0079 -0.0046 31 SER 5 C -0.0195 0.0116 0.0015 32 SER 5 O -0.0276 0.0180 0.0043 33 SER 5 CB -0.0201 0.0131 0.0034 34 SER 5 OG -0.0099 0.0125 0.0116 35 ILE 6 N -0.0054 0.0106 0.0084 36 ILE 6 CA -0.0026 0.0096 0.0136 37 ILE 6 C 0.0021 0.0096 0.0124 38 ILE 6 O 0.0057 0.0101 0.0086 39 ILE 6 CB -0.0002 0.0090 0.0164 40 ILE 6 CG1 -0.0052 0.0089 0.0181 41 ILE 6 CG2 0.0034 0.0080 0.0216 42 ILE 6 CD1 -0.0034 0.0087 0.0190 43 PRO 7 N 0.0078 0.0085 0.0146 44 PRO 7 CA 0.0064 0.0033 0.0086 45 PRO 7 C 0.0062 -0.0046 0.0110 46 PRO 7 O 0.0066 -0.0060 0.0140 47 PRO 7 CB 0.0057 0.0065 0.0034 48 PRO 7 CG 0.0065 0.0149 0.0045 49 PRO 7 CD 0.0080 0.0155 0.0126 50 GLY 8 N 0.0117 -0.0163 0.0076 51 GLY 8 CA 0.0146 -0.0192 0.0081 52 GLY 8 C 0.0131 -0.0182 0.0086 53 GLY 8 O 0.0155 -0.0199 0.0080 54 GLU 9 N 0.0079 -0.0082 -0.0005 55 GLU 9 CA 0.0043 -0.0058 -0.0014 56 GLU 9 C 0.0059 -0.0015 -0.0041 57 GLU 9 O 0.0058 -0.0004 -0.0047 58 GLU 9 CB -0.0004 -0.0053 -0.0009 59 GLU 9 CG -0.0049 -0.0032 -0.0015 60 GLU 9 CD -0.0093 -0.0030 -0.0009 61 GLU 9 OE1 -0.0088 -0.0044 -0.0002 62 GLU 9 OE2 -0.0132 -0.0013 -0.0013 63 ALA 10 N 0.0054 -0.0007 -0.0101 64 ALA 10 CA 0.0114 0.0126 -0.0140 65 ALA 10 C 0.0221 0.0074 -0.0167 66 ALA 10 O 0.0214 0.0139 -0.0174 67 ALA 10 CB 0.0195 0.0235 -0.0182 68 GLU 11 N 0.0297 0.0021 0.0025 69 GLU 11 CA 0.0404 0.0019 0.0037 70 GLU 11 C 0.0446 0.0017 0.0044 71 GLU 11 O 0.0524 0.0047 0.0012 72 GLU 11 CB 0.0428 -0.0039 0.0115 73 GLU 11 CG 0.0540 -0.0046 0.0134 74 GLU 11 CD 0.0557 -0.0110 0.0218 75 GLU 11 OE1 0.0483 -0.0146 0.0258 76 GLU 11 OE2 0.0645 -0.0123 0.0244 77 TYR 12 N 0.0176 -0.0186 0.0083 78 TYR 12 CA 0.0156 -0.0164 0.0064 79 TYR 12 C 0.0130 -0.0147 0.0037 80 TYR 12 O 0.0109 -0.0135 0.0014 81 TYR 12 CB 0.0149 -0.0192 0.0049 82 TYR 12 CG 0.0172 -0.0200 0.0075 83 TYR 12 CD1 0.0176 -0.0170 0.0087 84 TYR 12 CD2 0.0190 -0.0238 0.0089 85 TYR 12 CE1 0.0199 -0.0177 0.0113 86 TYR 12 CE2 0.0213 -0.0244 0.0115 87 TYR 12 CZ 0.0217 -0.0214 0.0127 88 TYR 12 OH 0.0241 -0.0219 0.0155 89 LEU 13 N 0.0152 0.0007 -0.0120 90 LEU 13 CA 0.0078 0.0073 -0.0173 91 LEU 13 C 0.0184 0.0094 -0.0226 92 LEU 13 O 0.0297 0.0123 -0.0290 93 LEU 13 CB -0.0006 0.0173 -0.0261 94 LEU 13 CG -0.0112 0.0241 -0.0308 95 LEU 13 CD1 -0.0234 0.0189 -0.0215 96 LEU 13 CD2 -0.0178 0.0341 -0.0402 97 GLY 14 N 0.0091 0.0058 -0.0272 98 GLY 14 CA 0.0232 -0.0089 -0.0303 99 GLY 14 C 0.0360 -0.0244 -0.0267 100 GLY 14 O 0.0485 -0.0374 -0.0297 101 ARG 15 N 0.0108 -0.0112 0.0005 102 ARG 15 CA 0.0104 -0.0093 0.0014 103 ARG 15 C 0.0103 -0.0116 -0.0018 104 ARG 15 O 0.0108 -0.0123 -0.0007 105 ARG 15 CB 0.0117 -0.0098 0.0062 106 ARG 15 CG 0.0118 -0.0071 0.0098 107 ARG 15 CD 0.0127 -0.0066 0.0143 108 ARG 15 NE 0.0146 -0.0111 0.0160 109 ARG 15 CZ 0.0156 -0.0124 0.0186 110 ARG 15 NH1 0.0151 -0.0099 0.0199 111 ARG 15 NH2 0.0172 -0.0164 0.0200 112 GLY 16 N 0.0107 -0.0174 0.0002 113 GLY 16 CA 0.0090 -0.0183 0.0041 114 GLY 16 C 0.0056 -0.0149 0.0053 115 GLY 16 O 0.0035 -0.0151 0.0087 116 VAL 17 N 0.0028 -0.0134 0.0033 117 VAL 17 CA -0.0058 -0.0106 0.0028 118 VAL 17 C -0.0094 -0.0055 -0.0017 119 VAL 17 O -0.0054 -0.0015 -0.0071 120 VAL 17 CB -0.0063 -0.0085 0.0006 121 VAL 17 CG1 -0.0155 -0.0053 -0.0001 122 VAL 17 CG2 -0.0033 -0.0140 0.0057 123 SER 18 N -0.0150 -0.0022 0.0006 124 SER 18 CA -0.0173 0.0001 -0.0008 125 SER 18 C -0.0241 0.0027 0.0012 126 SER 18 O -0.0270 0.0019 0.0048 127 SER 18 CB -0.0151 -0.0031 0.0019 128 SER 18 OG -0.0173 -0.0008 0.0005 129 TYR 19 N -0.0236 -0.0008 -0.0055 130 TYR 19 CA -0.0312 0.0030 -0.0031 131 TYR 19 C -0.0292 0.0016 -0.0009 132 TYR 19 O -0.0346 0.0046 -0.0014 133 TYR 19 CB -0.0372 0.0074 -0.0113 134 TYR 19 CG -0.0391 0.0089 -0.0145 135 TYR 19 CD1 -0.0446 0.0111 -0.0091 136 TYR 19 CD2 -0.0355 0.0081 -0.0231 137 TYR 19 CE1 -0.0464 0.0125 -0.0123 138 TYR 19 CE2 -0.0374 0.0096 -0.0263 139 TYR 19 CZ -0.0427 0.0117 -0.0208 140 TYR 19 OH -0.0443 0.0130 -0.0240 141 CYS 20 N -0.0292 -0.0077 0.0052 142 CYS 20 CA -0.0187 -0.0112 0.0046 143 CYS 20 C -0.0152 -0.0037 0.0048 144 CYS 20 O -0.0187 -0.0049 0.0048 145 CYS 20 CB -0.0193 -0.0232 0.0043 146 CYS 20 SG -0.0056 -0.0287 0.0036 147 ALA 21 N -0.0136 -0.0016 0.0037 148 ALA 21 CA -0.0112 0.0023 0.0040 149 ALA 21 C -0.0076 0.0012 0.0026 150 ALA 21 O -0.0067 0.0035 0.0030 151 ALA 21 CB -0.0093 0.0054 0.0042 152 THR 22 N -0.0076 -0.0042 -0.0099 153 THR 22 CA -0.0009 0.0020 -0.0204 154 THR 22 C -0.0114 0.0069 -0.0069 155 THR 22 O -0.0090 0.0205 -0.0129 156 THR 22 CB 0.0119 -0.0168 -0.0342 157 THR 22 OG1 0.0080 -0.0403 -0.0242 158 THR 22 CG2 0.0241 -0.0178 -0.0509 159 CYS 23 N -0.0174 -0.0010 -0.0025 160 CYS 23 CA -0.0162 0.0095 0.0068 161 CYS 23 C -0.0151 0.0162 0.0141 162 CYS 23 O -0.0160 0.0286 0.0142 163 CYS 23 CB -0.0137 0.0034 0.0168 164 CYS 23 SG -0.0131 0.0162 0.0241 165 ASP 24 N -0.0028 0.0010 0.0065 166 ASP 24 CA -0.0011 0.0015 0.0093 167 ASP 24 C 0.0009 0.0025 0.0137 168 ASP 24 O 0.0028 0.0030 0.0162 169 ASP 24 CB -0.0049 0.0016 0.0103 170 ASP 24 CG -0.0069 0.0007 0.0061 171 ASP 24 OD1 -0.0052 0.0000 0.0023 172 ASP 24 OD2 -0.0102 0.0008 0.0067 173 GLY 25 N 0.0038 0.0046 0.0119 174 GLY 25 CA 0.0045 0.0051 0.0147 175 GLY 25 C 0.0066 0.0029 0.0154 176 GLY 25 O 0.0069 0.0030 0.0165 177 ALA 26 N 0.0052 -0.0003 0.0214 178 ALA 26 CA 0.0048 -0.0042 0.0218 179 ALA 26 C 0.0042 -0.0060 0.0181 180 ALA 26 O 0.0039 -0.0085 0.0180 181 ALA 26 CB 0.0047 -0.0064 0.0237 182 PHE 27 N 0.0082 -0.0089 0.0283 183 PHE 27 CA 0.0105 -0.0122 0.0221 184 PHE 27 C 0.0103 -0.0120 0.0225 185 PHE 27 O 0.0124 -0.0159 0.0187 186 PHE 27 CB 0.0107 -0.0086 0.0145 187 PHE 27 CG 0.0109 -0.0087 0.0141 188 PHE 27 CD1 0.0084 -0.0030 0.0167 189 PHE 27 CD2 0.0134 -0.0144 0.0109 190 PHE 27 CE1 0.0085 -0.0028 0.0163 191 PHE 27 CE2 0.0134 -0.0143 0.0105 192 PHE 27 CZ 0.0110 -0.0086 0.0132 193 TYR 28 N 0.0133 -0.0115 0.0108 194 TYR 28 CA 0.0136 -0.0086 0.0080 195 TYR 28 C 0.0145 -0.0067 0.0062 196 TYR 28 O 0.0159 -0.0043 0.0040 197 TYR 28 CB 0.0168 -0.0081 0.0077 198 TYR 28 CG 0.0156 -0.0098 0.0092 199 TYR 28 CD1 0.0128 -0.0088 0.0081 200 TYR 28 CD2 0.0171 -0.0124 0.0118 201 TYR 28 CE1 0.0114 -0.0104 0.0097 202 TYR 28 CE2 0.0158 -0.0140 0.0133 203 TYR 28 CZ 0.0129 -0.0130 0.0123 204 TYR 28 OH 0.0115 -0.0147 0.0139 205 ARG 29 N 0.0116 -0.0125 0.0058 206 ARG 29 CA 0.0057 -0.0156 0.0023 207 ARG 29 C 0.0043 -0.0187 -0.0062 208 ARG 29 O 0.0020 -0.0199 -0.0077 209 ARG 29 CB -0.0022 -0.0168 0.0076 210 ARG 29 CG -0.0077 -0.0195 0.0051 211 ARG 29 CD -0.0160 -0.0209 0.0097 212 ARG 29 NE -0.0149 -0.0179 0.0186 213 ARG 29 CZ -0.0132 -0.0161 0.0226 214 ARG 29 NH1 -0.0124 -0.0169 0.0191 215 ARG 29 NH2 -0.0121 -0.0134 0.0304 216 ASN 30 N 0.0085 -0.0057 -0.0020 217 ASN 30 CA 0.0061 -0.0057 -0.0149 218 ASN 30 C 0.0117 -0.0060 -0.0155 219 ASN 30 O 0.0059 -0.0058 -0.0217 220 ASN 30 CB -0.0089 -0.0051 -0.0193 221 ASN 30 CG -0.0123 -0.0050 -0.0233 222 ASN 30 OD1 -0.0193 -0.0046 -0.0163 223 ASN 30 ND2 -0.0070 -0.0053 -0.0352 224 ARG 31 N 0.0122 -0.0012 -0.0094 225 ARG 31 CA 0.0135 0.0040 -0.0185 226 ARG 31 C 0.0262 0.0153 -0.0209 227 ARG 31 O 0.0346 0.0182 -0.0128 228 ARG 31 CB 0.0115 -0.0007 -0.0117 229 ARG 31 CG -0.0016 -0.0120 -0.0099 230 ARG 31 CD -0.0046 -0.0163 -0.0057 231 ARG 31 NE -0.0168 -0.0276 -0.0022 232 ARG 31 CZ -0.0276 -0.0317 -0.0119 233 ARG 31 NH1 -0.0287 -0.0262 -0.0258 234 ARG 31 NH2 -0.0379 -0.0419 -0.0076 235 GLU 32 N 0.0245 0.0159 -0.0042 236 GLU 32 CA 0.0217 0.0171 -0.0030 237 GLU 32 C 0.0179 0.0118 -0.0056 238 GLU 32 O 0.0140 0.0090 -0.0067 239 GLU 32 CB 0.0172 0.0219 0.0007 240 GLU 32 CG 0.0206 0.0275 0.0036 241 GLU 32 CD 0.0229 0.0315 0.0056 242 GLU 32 OE1 0.0288 0.0330 0.0056 243 GLU 32 OE2 0.0188 0.0330 0.0072 244 VAL 33 N 0.0115 0.0084 0.0021 245 VAL 33 CA 0.0100 0.0071 0.0007 246 VAL 33 C 0.0082 0.0080 0.0014 247 VAL 33 O 0.0087 0.0095 0.0028 248 VAL 33 CB 0.0115 0.0054 -0.0008 249 VAL 33 CG1 0.0133 0.0044 -0.0016 250 VAL 33 CG2 0.0131 0.0060 -0.0001 251 VAL 34 N -0.0006 0.0023 0.0074 252 VAL 34 CA -0.0020 0.0029 0.0077 253 VAL 34 C -0.0032 0.0042 0.0071 254 VAL 34 O -0.0028 0.0049 0.0059 255 VAL 34 CB -0.0015 0.0031 0.0071 256 VAL 34 CG1 -0.0029 0.0038 0.0074 257 VAL 34 CG2 -0.0003 0.0018 0.0077 258 VAL 35 N -0.0046 0.0111 0.0109 259 VAL 35 CA -0.0060 0.0103 0.0089 260 VAL 35 C -0.0083 0.0093 0.0099 261 VAL 35 O -0.0089 0.0091 0.0117 262 VAL 35 CB -0.0057 0.0104 0.0078 263 VAL 35 CG1 -0.0074 0.0095 0.0059 264 VAL 35 CG2 -0.0035 0.0114 0.0067 265 VAL 36 N -0.0104 0.0098 0.0120 266 VAL 36 CA -0.0105 0.0094 0.0122 267 VAL 36 C -0.0110 0.0093 0.0118 268 VAL 36 O -0.0110 0.0098 0.0115 269 VAL 36 CB -0.0100 0.0095 0.0125 270 VAL 36 CG1 -0.0100 0.0089 0.0128 271 VAL 36 CG2 -0.0094 0.0097 0.0128 272 GLY 37 N -0.0045 0.0196 0.0127 273 GLY 37 CA -0.0031 0.0177 0.0122 274 GLY 37 C -0.0009 0.0185 0.0110 275 GLY 37 O -0.0001 0.0201 0.0104 276 LEU 38 N 0.0132 0.0124 0.0059 277 LEU 38 CA 0.0096 0.0103 0.0017 278 LEU 38 C 0.0071 0.0105 -0.0020 279 LEU 38 O 0.0062 0.0070 -0.0016 280 LEU 38 CB 0.0088 0.0043 0.0034 281 LEU 38 CG 0.0050 0.0013 -0.0006 282 LEU 38 CD1 0.0041 0.0045 -0.0035 283 LEU 38 CD2 0.0047 -0.0046 0.0017 284 ASN 39 N 0.0114 0.0202 -0.0075 285 ASN 39 CA 0.0139 0.0160 -0.0087 286 ASN 39 C 0.0167 0.0171 -0.0104 287 ASN 39 O 0.0159 0.0209 -0.0102 288 ASN 39 CB 0.0113 0.0116 -0.0068 289 ASN 39 CG 0.0079 0.0127 -0.0049 290 ASN 39 OD1 0.0087 0.0138 -0.0054 291 ASN 39 ND2 0.0041 0.0124 -0.0026 292 PRO 40 N 0.0234 0.0246 -0.0101 293 PRO 40 CA 0.0195 0.0254 -0.0098 294 PRO 40 C 0.0182 0.0268 -0.0086 295 PRO 40 O 0.0153 0.0263 -0.0095 296 PRO 40 CB 0.0187 0.0271 -0.0082 297 PRO 40 CG 0.0216 0.0259 -0.0090 298 PRO 40 CD 0.0250 0.0253 -0.0092 299 GLU 41 N 0.0189 0.0233 -0.0062 300 GLU 41 CA 0.0125 0.0188 -0.0057 301 GLU 41 C 0.0064 0.0260 -0.0074 302 GLU 41 O 0.0061 0.0261 -0.0074 303 GLU 41 CB 0.0056 0.0116 -0.0048 304 GLU 41 CG -0.0004 0.0047 -0.0039 305 GLU 41 CD -0.0076 -0.0015 -0.0032 306 GLU 41 OE1 -0.0089 0.0003 -0.0036 307 GLU 41 OE2 -0.0119 -0.0082 -0.0022 308 ALA 42 N 0.0019 0.0199 -0.0078 309 ALA 42 CA 0.0019 0.0199 -0.0079 310 ALA 42 C 0.0015 0.0200 -0.0085 311 ALA 42 O 0.0012 0.0203 -0.0085 312 ALA 42 CB 0.0023 0.0194 -0.0078 313 VAL 43 N 0.0107 0.0150 -0.0117 314 VAL 43 CA 0.0085 0.0138 -0.0123 315 VAL 43 C 0.0064 0.0145 -0.0114 316 VAL 43 O 0.0052 0.0134 -0.0120 317 VAL 43 CB 0.0079 0.0136 -0.0122 318 VAL 43 CG1 0.0054 0.0126 -0.0125 319 VAL 43 CG2 0.0097 0.0126 -0.0133 320 GLU 44 N 0.0107 0.0186 -0.0094 321 GLU 44 CA 0.0055 0.0205 -0.0067 322 GLU 44 C 0.0081 0.0195 -0.0081 323 GLU 44 O 0.0040 0.0163 -0.0077 324 GLU 44 CB 0.0035 0.0282 -0.0030 325 GLU 44 CG -0.0010 0.0280 -0.0013 326 GLU 44 CD -0.0022 0.0356 0.0020 327 GLU 44 OE1 -0.0050 0.0399 0.0047 328 GLU 44 OE2 -0.0007 0.0371 0.0019 329 GLU 45 N 0.0037 0.0144 -0.0053 330 GLU 45 CA 0.0010 0.0134 -0.0059 331 GLU 45 C 0.0001 0.0168 -0.0058 332 GLU 45 O -0.0002 0.0162 -0.0059 333 GLU 45 CB -0.0028 0.0120 -0.0068 334 GLU 45 CG -0.0023 0.0079 -0.0070 335 GLU 45 CD -0.0019 0.0046 -0.0072 336 GLU 45 OE1 -0.0049 0.0026 -0.0080 337 GLU 45 OE2 0.0013 0.0040 -0.0066 338 ALA 46 N 0.0021 0.0125 -0.0091 339 ALA 46 CA 0.0025 0.0093 -0.0089 340 ALA 46 C 0.0003 0.0077 -0.0078 341 ALA 46 O 0.0010 0.0056 -0.0079 342 ALA 46 CB 0.0025 0.0080 -0.0088 343 GLN 47 N 0.0048 -0.0052 -0.0088 344 GLN 47 CA 0.0012 -0.0054 -0.0089 345 GLN 47 C -0.0004 -0.0035 -0.0075 346 GLN 47 O -0.0033 -0.0038 -0.0078 347 GLN 47 CB -0.0004 -0.0049 -0.0085 348 GLN 47 CG 0.0007 -0.0067 -0.0099 349 GLN 47 CD -0.0019 -0.0068 -0.0099 350 GLN 47 OE1 -0.0044 -0.0082 -0.0108 351 GLN 47 NE2 -0.0014 -0.0053 -0.0088 352 VAL 48 N 0.0041 0.0124 -0.0017 353 VAL 48 CA 0.0046 0.0149 -0.0013 354 VAL 48 C 0.0057 0.0153 0.0001 355 VAL 48 O 0.0056 0.0169 -0.0002 356 VAL 48 CB 0.0051 0.0159 -0.0007 357 VAL 48 CG1 0.0058 0.0185 -0.0001 358 VAL 48 CG2 0.0038 0.0158 -0.0024 359 LEU 49 N 0.0099 0.0080 0.0004 360 LEU 49 CA 0.0080 0.0098 0.0011 361 LEU 49 C 0.0085 0.0124 0.0001 362 LEU 49 O 0.0072 0.0140 0.0005 363 LEU 49 CB 0.0065 0.0094 0.0021 364 LEU 49 CG 0.0055 0.0070 0.0033 365 LEU 49 CD1 0.0044 0.0064 0.0041 366 LEU 49 CD2 0.0039 0.0069 0.0043 367 THR 50 N 0.0013 0.0044 -0.0126 368 THR 50 CA -0.0004 0.0028 -0.0144 369 THR 50 C -0.0023 0.0084 -0.0169 370 THR 50 O -0.0033 0.0080 -0.0180 371 THR 50 CB -0.0039 -0.0026 -0.0180 372 THR 50 OG1 -0.0073 -0.0012 -0.0220 373 THR 50 CG2 -0.0021 -0.0090 -0.0155 374 LYS 51 N -0.0033 -0.0015 -0.0010 375 LYS 51 CA -0.0054 0.0007 -0.0014 376 LYS 51 C 0.0039 0.0012 -0.0021 377 LYS 51 O 0.0037 0.0024 -0.0023 378 LYS 51 CB -0.0106 0.0107 -0.0032 379 LYS 51 CG -0.0203 0.0109 -0.0026 380 LYS 51 CD -0.0244 0.0212 -0.0046 381 LYS 51 CE -0.0344 0.0214 -0.0040 382 LYS 51 NZ -0.0338 0.0251 -0.0049 383 PHE 52 N 0.0099 0.0039 0.0033 384 PHE 52 CA 0.0099 0.0027 0.0018 385 PHE 52 C 0.0116 0.0010 -0.0018 386 PHE 52 O 0.0104 -0.0015 -0.0035 387 PHE 52 CB 0.0117 0.0052 0.0030 388 PHE 52 CG 0.0103 0.0071 0.0066 389 PHE 52 CD1 0.0073 0.0060 0.0083 390 PHE 52 CD2 0.0121 0.0101 0.0082 391 PHE 52 CE1 0.0060 0.0077 0.0117 392 PHE 52 CE2 0.0108 0.0119 0.0116 393 PHE 52 CZ 0.0078 0.0107 0.0133 394 ALA 53 N 0.0210 0.0067 -0.0068 395 ALA 53 CA 0.0196 0.0087 -0.0096 396 ALA 53 C 0.0192 0.0113 -0.0133 397 ALA 53 O 0.0216 0.0123 -0.0142 398 ALA 53 CB 0.0226 0.0090 -0.0095 399 SER 54 N 0.0221 0.0199 -0.0161 400 SER 54 CA 0.0223 0.0241 -0.0155 401 SER 54 C 0.0224 0.0258 -0.0153 402 SER 54 O 0.0247 0.0283 -0.0152 403 SER 54 CB 0.0187 0.0258 -0.0147 404 SER 54 OG 0.0187 0.0252 -0.0148 405 THR 55 N 0.0196 0.0255 -0.0098 406 THR 55 CA 0.0141 0.0170 -0.0084 407 THR 55 C 0.0107 0.0128 -0.0119 408 THR 55 O 0.0124 0.0148 -0.0098 409 THR 55 CB 0.0137 0.0136 0.0017 410 THR 55 OG1 0.0168 0.0172 0.0056 411 THR 55 CG2 0.0078 0.0047 0.0024 412 VAL 56 N -0.0001 0.0069 -0.0089 413 VAL 56 CA -0.0018 0.0063 -0.0101 414 VAL 56 C -0.0033 0.0036 -0.0080 415 VAL 56 O -0.0052 0.0020 -0.0079 416 VAL 56 CB -0.0038 0.0066 -0.0132 417 VAL 56 CG1 -0.0056 0.0058 -0.0144 418 VAL 56 CG2 -0.0022 0.0093 -0.0153 419 HIS 57 N -0.0065 0.0062 -0.0016 420 HIS 57 CA -0.0064 0.0012 0.0005 421 HIS 57 C -0.0078 -0.0011 -0.0009 422 HIS 57 O -0.0069 0.0006 -0.0001 423 HIS 57 CB -0.0035 0.0011 0.0056 424 HIS 57 CG -0.0019 0.0032 0.0075 425 HIS 57 ND1 -0.0024 0.0004 0.0078 426 HIS 57 CD2 0.0000 0.0076 0.0091 427 HIS 57 CE1 -0.0007 0.0032 0.0095 428 HIS 57 NE2 0.0008 0.0076 0.0104 429 TRP 58 N -0.0136 0.0023 0.0045 430 TRP 58 CA -0.0108 0.0011 0.0061 431 TRP 58 C -0.0072 -0.0010 0.0057 432 TRP 58 O -0.0063 -0.0022 0.0024 433 TRP 58 CB -0.0112 0.0008 0.0039 434 TRP 58 CG -0.0088 -0.0001 0.0058 435 TRP 58 CD1 -0.0072 -0.0000 0.0096 436 TRP 58 CD2 -0.0079 -0.0010 0.0038 437 TRP 58 NE1 -0.0053 -0.0010 0.0101 438 TRP 58 CE2 -0.0056 -0.0016 0.0067 439 TRP 58 CE3 -0.0087 -0.0015 -0.0000 440 TRP 58 CZ2 -0.0042 -0.0026 0.0057 441 TRP 58 CZ3 -0.0072 -0.0025 -0.0010 442 TRP 58 CH2 -0.0050 -0.0031 0.0018 443 ILE 59 N -0.0078 -0.0030 0.0147 444 ILE 59 CA -0.0036 -0.0030 0.0134 445 ILE 59 C -0.0014 -0.0014 0.0152 446 ILE 59 O -0.0012 0.0007 0.0184 447 ILE 59 CB -0.0017 -0.0023 0.0138 448 ILE 59 CG1 -0.0038 -0.0041 0.0118 449 ILE 59 CG2 0.0029 -0.0021 0.0127 450 ILE 59 CD1 -0.0025 -0.0033 0.0125 451 THR 60 N 0.0060 -0.0067 0.0173 452 THR 60 CA 0.0068 -0.0059 0.0179 453 THR 60 C 0.0108 -0.0074 0.0168 454 THR 60 O 0.0117 -0.0100 0.0146 455 THR 60 CB 0.0035 -0.0068 0.0171 456 THR 60 OG1 0.0029 -0.0100 0.0143 457 THR 60 CG2 -0.0006 -0.0054 0.0181 458 PRO 61 N 0.0190 -0.0048 0.0192 459 PRO 61 CA 0.0232 -0.0069 0.0183 460 PRO 61 C 0.0196 -0.0109 0.0182 461 PRO 61 O 0.0225 -0.0133 0.0174 462 PRO 61 CB 0.0255 -0.0005 0.0190 463 PRO 61 CG 0.0199 0.0042 0.0205 464 PRO 61 CD 0.0176 0.0021 0.0205 465 LYS 62 N 0.0092 -0.0131 0.0254 466 LYS 62 CA -0.0068 -0.0193 0.0372 467 LYS 62 C 0.0075 -0.0164 0.0380 468 LYS 62 O 0.0273 -0.0097 0.0274 469 LYS 62 CB -0.0328 -0.0217 0.0233 470 LYS 62 CG -0.0320 -0.0156 -0.0024 471 LYS 62 CD -0.0573 -0.0177 -0.0172 472 LYS 62 CE -0.0639 -0.0159 -0.0315 473 LYS 62 NZ -0.0875 -0.0175 -0.0466 474 ASP 63 N 0.0065 -0.0180 0.0284 475 ASP 63 CA 0.0104 -0.0169 0.0284 476 ASP 63 C 0.0108 -0.0141 0.0181 477 ASP 63 O 0.0038 -0.0143 0.0120 478 ASP 63 CB 0.0043 -0.0204 0.0353 479 ASP 63 CG 0.0059 -0.0198 0.0348 480 ASP 63 OD1 0.0022 -0.0188 0.0273 481 ASP 63 OD2 0.0107 -0.0204 0.0416 482 PRO 64 N 0.0068 -0.0127 0.0087 483 PRO 64 CA 0.0066 -0.0118 0.0075 484 PRO 64 C 0.0066 -0.0127 0.0041 485 PRO 64 O 0.0064 -0.0123 0.0031 486 PRO 64 CB 0.0060 -0.0082 0.0080 487 PRO 64 CG 0.0060 -0.0074 0.0100 488 PRO 64 CD 0.0064 -0.0100 0.0092 489 HIS 65 N 0.0099 -0.0106 -0.0040 490 HIS 65 CA 0.0095 -0.0115 -0.0066 491 HIS 65 C 0.0135 -0.0128 -0.0046 492 HIS 65 O 0.0135 -0.0132 -0.0055 493 HIS 65 CB 0.0090 -0.0135 -0.0119 494 HIS 65 CG 0.0047 -0.0120 -0.0140 495 HIS 65 ND1 0.0049 -0.0127 -0.0153 496 HIS 65 CD2 0.0004 -0.0101 -0.0150 497 HIS 65 CE1 0.0008 -0.0112 -0.0171 498 HIS 65 NE2 -0.0021 -0.0096 -0.0169 499 THR 66 N 0.0093 -0.0130 0.0082 500 THR 66 CA 0.0079 -0.0133 0.0070 501 THR 66 C 0.0068 -0.0090 0.0034 502 THR 66 O 0.0044 -0.0095 0.0013 503 THR 66 CB 0.0109 -0.0140 0.0104 504 THR 66 OG1 0.0147 -0.0102 0.0121 505 THR 66 CG2 0.0115 -0.0189 0.0139 506 LEU 67 N 0.0068 0.0008 -0.0004 507 LEU 67 CA 0.0051 0.0043 -0.0015 508 LEU 67 C 0.0011 0.0034 -0.0007 509 LEU 67 O -0.0001 0.0056 -0.0014 510 LEU 67 CB 0.0085 0.0060 -0.0026 511 LEU 67 CG 0.0120 0.0085 -0.0040 512 LEU 67 CD1 0.0146 0.0104 -0.0050 513 LEU 67 CD2 0.0102 0.0119 -0.0051 514 ASP 68 N -0.0045 0.0079 -0.0039 515 ASP 68 CA 0.0049 0.0114 0.0133 516 ASP 68 C 0.0100 -0.0056 0.0243 517 ASP 68 O 0.0157 -0.0115 0.0355 518 ASP 68 CB 0.0093 0.0240 0.0205 519 ASP 68 CG 0.0177 0.0342 0.0354 520 ASP 68 OD1 0.0249 0.0295 0.0494 521 ASP 68 OD2 0.0168 0.0470 0.0327 522 GLY 69 N -0.0074 -0.0062 0.0094 523 GLY 69 CA -0.0136 -0.0083 0.0110 524 GLY 69 C -0.0090 -0.0006 0.0095 525 GLY 69 O -0.0115 -0.0035 0.0102 526 HIS 70 N -0.0030 0.0049 0.0017 527 HIS 70 CA -0.0001 0.0085 0.0002 528 HIS 70 C 0.0050 0.0013 -0.0030 529 HIS 70 O 0.0048 0.0004 -0.0029 530 HIS 70 CB 0.0046 0.0179 -0.0022 531 HIS 70 CG 0.0047 0.0246 -0.0021 532 HIS 70 ND1 0.0107 0.0239 -0.0055 533 HIS 70 CD2 -0.0003 0.0318 0.0010 534 HIS 70 CE1 0.0092 0.0306 -0.0044 535 HIS 70 NE2 0.0026 0.0356 -0.0005 536 ALA 71 N 0.0023 -0.0047 -0.0050 537 ALA 71 CA 0.0019 -0.0055 -0.0061 538 ALA 71 C -0.0006 -0.0073 -0.0084 539 ALA 71 O -0.0012 -0.0081 -0.0094 540 ALA 71 CB 0.0053 -0.0063 -0.0070 541 ASP 72 N 0.0023 -0.0050 -0.0081 542 ASP 72 CA 0.0036 -0.0073 -0.0034 543 ASP 72 C 0.0111 -0.0033 -0.0041 544 ASP 72 O 0.0158 -0.0046 0.0016 545 ASP 72 CB -0.0040 -0.0098 -0.0052 546 ASP 72 CG -0.0112 -0.0149 -0.0026 547 ASP 72 OD1 -0.0109 -0.0163 -0.0001 548 ASP 72 OD2 -0.0173 -0.0174 -0.0032 549 GLU 73 N 0.0547 -0.0108 -0.0103 550 GLU 73 CA 0.0339 -0.0200 -0.0064 551 GLU 73 C 0.0122 -0.0225 -0.0144 552 GLU 73 O -0.0047 -0.0219 -0.0250 553 GLU 73 CB 0.0355 -0.0334 0.0173 554 GLU 73 CG 0.0161 -0.0435 0.0233 555 GLU 73 CD 0.0181 -0.0567 0.0469 556 GLU 73 OE1 0.0348 -0.0582 0.0590 557 GLU 73 OE2 0.0027 -0.0653 0.0528 558 LEU 74 N -0.0090 -0.0136 -0.0177 559 LEU 74 CA -0.0090 -0.0141 -0.0191 560 LEU 74 C -0.0085 -0.0161 -0.0250 561 LEU 74 O -0.0115 -0.0176 -0.0271 562 LEU 74 CB -0.0042 -0.0122 -0.0166 563 LEU 74 CG -0.0035 -0.0124 -0.0179 564 LEU 74 CD1 -0.0084 -0.0129 -0.0159 565 LEU 74 CD2 0.0016 -0.0104 -0.0155 566 LEU 75 N -0.0158 -0.0055 -0.0127 567 LEU 75 CA -0.0185 0.0019 -0.0132 568 LEU 75 C -0.0158 0.0100 -0.0167 569 LEU 75 O -0.0190 0.0169 -0.0168 570 LEU 75 CB -0.0160 0.0005 -0.0141 571 LEU 75 CG -0.0204 -0.0059 -0.0102 572 LEU 75 CD1 -0.0163 -0.0084 -0.0117 573 LEU 75 CD2 -0.0288 -0.0025 -0.0067 574 ALA 76 N -0.0080 0.0340 -0.0065 575 ALA 76 CA 0.0366 0.0555 0.0125 576 ALA 76 C 0.0209 0.0130 0.0013 577 ALA 76 O 0.0469 0.0322 0.0133 578 ALA 76 CB 0.1162 0.0392 0.0394 579 HIS 77 N -0.0113 -0.0188 -0.0297 580 HIS 77 CA -0.0111 -0.0191 -0.0298 581 HIS 77 C -0.0139 -0.0156 -0.0279 582 HIS 77 O -0.0181 -0.0152 -0.0269 583 HIS 77 CB -0.0129 -0.0237 -0.0315 584 HIS 77 CG -0.0112 -0.0248 -0.0323 585 HIS 77 ND1 -0.0134 -0.0229 -0.0311 586 HIS 77 CD2 -0.0076 -0.0272 -0.0339 587 HIS 77 CE1 -0.0110 -0.0241 -0.0320 588 HIS 77 NE2 -0.0075 -0.0267 -0.0338 589 PRO 78 N -0.0375 -0.0002 -0.0421 590 PRO 78 CA -0.0245 0.0016 -0.0074 591 PRO 78 C -0.0318 -0.0087 -0.0698 592 PRO 78 O -0.0373 -0.0014 -0.0470 593 PRO 78 CB 0.0572 -0.0256 0.0339 594 PRO 78 CG 0.0734 -0.0297 0.0479 595 PRO 78 CD 0.0289 -0.0257 -0.0244 596 SER 79 N -0.0092 -0.0070 -0.0263 597 SER 79 CA -0.0043 -0.0050 -0.0263 598 SER 79 C -0.0083 -0.0073 -0.0252 599 SER 79 O -0.0047 -0.0066 -0.0241 600 SER 79 CB -0.0015 0.0008 -0.0330 601 SER 79 OG 0.0025 0.0034 -0.0344 602 VAL 80 N -0.0246 -0.0080 -0.0219 603 VAL 80 CA -0.0282 -0.0081 -0.0224 604 VAL 80 C -0.0299 -0.0073 -0.0194 605 VAL 80 O -0.0297 -0.0066 -0.0167 606 VAL 80 CB -0.0299 -0.0085 -0.0238 607 VAL 80 CG1 -0.0338 -0.0085 -0.0240 608 VAL 80 CG2 -0.0285 -0.0094 -0.0272 609 LYS 81 N -0.0373 -0.0152 -0.0003 610 LYS 81 CA -0.0341 -0.0283 0.0070 611 LYS 81 C -0.0379 -0.0272 0.0052 612 LYS 81 O -0.0320 -0.0174 0.0026 613 LYS 81 CB -0.0176 -0.0308 0.0139 614 LYS 81 CG -0.0139 -0.0352 0.0173 615 LYS 81 CD 0.0013 -0.0408 0.0253 616 LYS 81 CE 0.0046 -0.0467 0.0292 617 LYS 81 NZ 0.0099 -0.0349 0.0255 618 LEU 82 N -0.0276 -0.0231 0.0062 619 LEU 82 CA -0.0215 -0.0211 0.0079 620 LEU 82 C -0.0153 -0.0228 0.0046 621 LEU 82 O -0.0147 -0.0264 -0.0004 622 LEU 82 CB -0.0219 -0.0216 0.0072 623 LEU 82 CG -0.0154 -0.0198 0.0087 624 LEU 82 CD1 -0.0141 -0.0152 0.0148 625 LEU 82 CD2 -0.0160 -0.0210 0.0071 626 TRP 83 N -0.0096 -0.0208 0.0092 627 TRP 83 CA -0.0065 -0.0212 0.0081 628 TRP 83 C -0.0013 -0.0217 0.0096 629 TRP 83 O 0.0006 -0.0216 0.0134 630 TRP 83 CB -0.0083 -0.0208 0.0107 631 TRP 83 CG -0.0136 -0.0203 0.0093 632 TRP 83 CD1 -0.0178 -0.0196 0.0117 633 TRP 83 CD2 -0.0151 -0.0205 0.0049 634 TRP 83 NE1 -0.0218 -0.0194 0.0091 635 TRP 83 CE2 -0.0203 -0.0199 0.0049 636 TRP 83 CE3 -0.0124 -0.0212 0.0011 637 TRP 83 CZ2 -0.0228 -0.0199 0.0011 638 TRP 83 CZ3 -0.0150 -0.0212 -0.0027 639 TRP 83 CH2 -0.0202 -0.0206 -0.0027 640 GLU 84 N 0.0032 -0.0244 0.0148 641 GLU 84 CA 0.0033 -0.0194 0.0160 642 GLU 84 C 0.0070 -0.0174 0.0123 643 GLU 84 O 0.0089 -0.0205 0.0093 644 GLU 84 CB 0.0003 -0.0200 0.0193 645 GLU 84 CG 0.0008 -0.0238 0.0178 646 GLU 84 CD -0.0015 -0.0229 0.0206 647 GLU 84 OE1 -0.0039 -0.0202 0.0242 648 GLU 84 OE2 -0.0005 -0.0246 0.0190 649 LYS 85 N 0.0122 -0.0099 0.0144 650 LYS 85 CA 0.0172 -0.0054 0.0091 651 LYS 85 C 0.0176 -0.0081 0.0025 652 LYS 85 O 0.0206 -0.0071 -0.0040 653 LYS 85 CB 0.0199 -0.0033 0.0057 654 LYS 85 CG 0.0198 -0.0005 0.0117 655 LYS 85 CD 0.0238 0.0036 0.0084 656 LYS 85 CE 0.0220 0.0024 0.0111 657 LYS 85 NZ 0.0197 -0.0034 0.0060 658 THR 86 N 0.0089 -0.0074 0.0034 659 THR 86 CA 0.0091 -0.0080 0.0019 660 THR 86 C 0.0098 -0.0065 0.0039 661 THR 86 O 0.0092 -0.0055 0.0066 662 THR 86 CB 0.0068 -0.0104 0.0008 663 THR 86 OG1 0.0044 -0.0108 0.0030 664 THR 86 CG2 0.0059 -0.0119 -0.0009 665 ARG 87 N 0.0089 0.0025 0.0014 666 ARG 87 CA 0.0045 -0.0026 -0.0190 667 ARG 87 C 0.0167 -0.0110 -0.0277 668 ARG 87 O 0.0187 -0.0098 -0.0217 669 ARG 87 CB -0.0161 0.0043 -0.0253 670 ARG 87 CG -0.0239 0.0012 -0.0443 671 ARG 87 CD -0.0377 0.0027 -0.0574 672 ARG 87 NE -0.0552 0.0135 -0.0485 673 ARG 87 CZ -0.0707 0.0183 -0.0544 674 ARG 87 NH1 -0.0714 0.0139 -0.0679 675 ARG 87 NH2 -0.0859 0.0278 -0.0464 676 LEU 88 N 0.0063 0.0145 -0.0019 677 LEU 88 CA 0.0038 0.0117 -0.0028 678 LEU 88 C 0.0065 0.0137 -0.0055 679 LEU 88 O 0.0091 0.0170 -0.0031 680 LEU 88 CB 0.0009 0.0104 0.0028 681 LEU 88 CG -0.0019 0.0076 0.0027 682 LEU 88 CD1 -0.0045 0.0037 -0.0019 683 LEU 88 CD2 -0.0048 0.0063 0.0085 684 ILE 89 N 0.0026 0.0283 -0.0036 685 ILE 89 CA 0.0061 0.0294 -0.0050 686 ILE 89 C 0.0063 0.0305 -0.0045 687 ILE 89 O 0.0087 0.0328 -0.0044 688 ILE 89 CB 0.0078 0.0265 -0.0078 689 ILE 89 CG1 0.0075 0.0251 -0.0085 690 ILE 89 CG2 0.0115 0.0276 -0.0093 691 ILE 89 CD1 0.0089 0.0276 -0.0078 692 ARG 90 N 0.0138 0.0363 0.0088 693 ARG 90 CA 0.0065 0.0231 0.0041 694 ARG 90 C 0.0013 0.0076 0.0131 695 ARG 90 O 0.0011 0.0053 0.0167 696 ARG 90 CB 0.0017 0.0226 -0.0153 697 ARG 90 CG -0.0056 0.0114 -0.0241 698 ARG 90 CD -0.0079 0.0160 -0.0434 699 ARG 90 NE -0.0011 0.0320 -0.0464 700 ARG 90 CZ 0.0037 0.0454 -0.0528 701 ARG 90 NH1 0.0026 0.0460 -0.0586 702 ARG 90 NH2 0.0099 0.0588 -0.0534 703 ILE 91 N 0.0024 -0.0127 0.0115 704 ILE 91 CA 0.0043 -0.0178 0.0128 705 ILE 91 C 0.0066 -0.0211 0.0079 706 ILE 91 O 0.0067 -0.0193 0.0030 707 ILE 91 CB 0.0039 -0.0172 0.0137 708 ILE 91 CG1 0.0015 -0.0138 0.0188 709 ILE 91 CG2 0.0060 -0.0227 0.0147 710 ILE 91 CD1 0.0006 -0.0117 0.0191 711 LYS 92 N 0.0036 -0.0220 0.0052 712 LYS 92 CA -0.0078 -0.0216 0.0018 713 LYS 92 C -0.0096 -0.0284 0.0036 714 LYS 92 O -0.0017 -0.0296 0.0062 715 LYS 92 CB -0.0105 -0.0096 -0.0030 716 LYS 92 CG -0.0102 -0.0013 -0.0056 717 LYS 92 CD -0.0119 0.0103 -0.0100 718 LYS 92 CE -0.0206 0.0166 -0.0146 719 LYS 92 NZ -0.0164 0.0204 -0.0147 720 GLY 93 N 0.0040 -0.0275 -0.0011 721 GLY 93 CA 0.0010 -0.0238 -0.0005 722 GLY 93 C 0.0028 -0.0220 0.0021 723 GLY 93 O 0.0063 -0.0239 0.0032 724 GLU 94 N -0.0078 -0.0226 0.0106 725 GLU 94 CA -0.0103 -0.0131 0.0226 726 GLU 94 C -0.0114 -0.0092 0.0272 727 GLU 94 O -0.0099 -0.0144 0.0214 728 GLU 94 CB -0.0157 -0.0003 0.0185 729 GLU 94 CG -0.0151 -0.0030 0.0129 730 GLU 94 CD -0.0206 0.0100 0.0084 731 GLU 94 OE1 -0.0210 0.0120 0.0122 732 GLU 94 OE2 -0.0244 0.0180 0.0013 733 GLU 95 N -0.0056 -0.0118 0.0349 734 GLU 95 CA -0.0042 -0.0058 0.0276 735 GLU 95 C -0.0121 -0.0103 0.0468 736 GLU 95 O -0.0193 0.0043 0.0494 737 GLU 95 CB 0.0108 -0.0203 0.0092 738 GLU 95 CG 0.0136 -0.0135 -0.0017 739 GLU 95 CD 0.0146 0.0078 -0.0204 740 GLU 95 OE1 0.0240 0.0057 -0.0373 741 GLU 95 OE2 0.0060 0.0262 -0.0178 742 ALA 96 N -0.0195 -0.0059 0.0245 743 ALA 96 CA -0.0204 -0.0028 0.0165 744 ALA 96 C -0.0103 -0.0104 0.0093 745 ALA 96 O -0.0089 -0.0116 0.0086 746 ALA 96 CB -0.0268 0.0064 0.0060 747 GLY 97 N -0.0043 -0.0147 0.0027 748 GLY 97 CA -0.0008 -0.0211 -0.0023 749 GLY 97 C 0.0007 -0.0233 -0.0048 750 GLY 97 O -0.0010 -0.0214 -0.0013 751 VAL 98 N -0.0014 -0.0227 0.0047 752 VAL 98 CA 0.0002 -0.0218 0.0026 753 VAL 98 C -0.0011 -0.0205 0.0004 754 VAL 98 O -0.0023 -0.0203 0.0002 755 VAL 98 CB 0.0029 -0.0221 0.0026 756 VAL 98 CG1 0.0047 -0.0212 0.0004 757 VAL 98 CG2 0.0043 -0.0234 0.0048 758 THR 99 N -0.0179 -0.0121 -0.0004 759 THR 99 CA -0.0169 -0.0083 0.0006 760 THR 99 C -0.0150 -0.0004 0.0027 761 THR 99 O -0.0121 0.0028 0.0051 762 THR 99 CB -0.0227 -0.0078 -0.0035 763 THR 99 OG1 -0.0278 -0.0041 -0.0069 764 THR 99 CG2 -0.0245 -0.0157 -0.0056 765 ALA 100 N -0.0141 -0.0076 0.0141 766 ALA 100 CA -0.0094 -0.0001 0.0127 767 ALA 100 C -0.0069 -0.0060 0.0132 768 ALA 100 O -0.0106 -0.0155 0.0147 769 ALA 100 CB -0.0175 0.0102 0.0122 770 VAL 101 N -0.0021 0.0029 0.0073 771 VAL 101 CA -0.0008 0.0015 0.0075 772 VAL 101 C -0.0015 0.0047 0.0066 773 VAL 101 O -0.0015 0.0082 0.0054 774 VAL 101 CB 0.0037 0.0000 0.0071 775 VAL 101 CG1 0.0044 -0.0037 0.0082 776 VAL 101 CG2 0.0065 0.0032 0.0055 777 GLU 102 N 0.0024 0.0169 0.0049 778 GLU 102 CA 0.0033 0.0167 0.0038 779 GLU 102 C 0.0030 0.0180 0.0048 780 GLU 102 O 0.0033 0.0198 0.0054 781 GLU 102 CB 0.0050 0.0175 0.0024 782 GLU 102 CG 0.0061 0.0173 0.0011 783 GLU 102 CD 0.0078 0.0182 -0.0001 784 GLU 102 OE1 0.0080 0.0185 -0.0002 785 GLU 102 OE2 0.0088 0.0187 -0.0009 786 VAL 103 N -0.0019 0.0013 -0.0004 787 VAL 103 CA -0.0020 0.0008 -0.0008 788 VAL 103 C -0.0010 -0.0006 -0.0016 789 VAL 103 O -0.0006 -0.0014 -0.0021 790 VAL 103 CB -0.0038 0.0008 -0.0013 791 VAL 103 CG1 -0.0049 0.0022 -0.0005 792 VAL 103 CG2 -0.0046 -0.0003 -0.0024 793 ARG 104 N -0.0035 0.0039 0.0027 794 ARG 104 CA -0.0033 0.0032 0.0027 795 ARG 104 C -0.0007 0.0006 -0.0002 796 ARG 104 O 0.0005 -0.0024 -0.0007 797 ARG 104 CB -0.0049 0.0009 0.0065 798 ARG 104 CG -0.0048 -0.0002 0.0069 799 ARG 104 CD -0.0059 -0.0034 0.0103 800 ARG 104 NE -0.0086 -0.0012 0.0136 801 ARG 104 CZ -0.0101 -0.0031 0.0171 802 ARG 104 NH1 -0.0094 -0.0072 0.0179 803 ARG 104 NH2 -0.0125 -0.0009 0.0198 804 HIS 105 N -0.0047 0.0060 0.0007 805 HIS 105 CA 0.0052 0.0020 -0.0047 806 HIS 105 C 0.0077 -0.0058 -0.0000 807 HIS 105 O 0.0023 -0.0041 0.0033 808 HIS 105 CB 0.0074 0.0100 -0.0138 809 HIS 105 CG 0.0170 0.0092 -0.0217 810 HIS 105 ND1 0.0179 0.0131 -0.0261 811 HIS 105 CD2 0.0254 0.0050 -0.0257 812 HIS 105 CE1 0.0270 0.0112 -0.0326 813 HIS 105 NE2 0.0318 0.0063 -0.0327 814 PRO 106 N -0.0084 0.0047 -0.0097 815 PRO 106 CA -0.0184 0.0137 -0.0166 816 PRO 106 C -0.0235 0.0131 -0.0069 817 PRO 106 O -0.0297 0.0113 0.0072 818 PRO 106 CB -0.0311 0.0224 -0.0181 819 PRO 106 CG -0.0242 0.0186 -0.0197 820 PRO 106 CD -0.0130 0.0073 -0.0088 821 GLY 107 N 0.0635 -0.0067 0.0281 822 GLY 107 CA 0.1315 -0.0928 -0.0046 823 GLY 107 C 0.0714 -0.0302 -0.0334 824 GLY 107 O 0.1256 -0.0879 -0.0127 825 GLU 108 N -0.0182 0.0158 -0.0058 826 GLU 108 CA -0.0112 0.0228 0.0061 827 GLU 108 C -0.0218 0.0209 -0.0007 828 GLU 108 O -0.0280 0.0310 0.0099 829 GLU 108 CB 0.0142 0.0172 0.0093 830 GLU 108 CG 0.0262 0.0247 0.0239 831 GLU 108 CD 0.0233 0.0408 0.0435 832 GLU 108 OE1 0.0151 0.0460 0.0468 833 GLU 108 OE2 0.0299 0.0480 0.0555 834 SER 109 N -0.0365 0.0190 0.0259 835 SER 109 CA -0.0200 0.0195 0.0105 836 SER 109 C -0.0277 0.0009 0.0053 837 SER 109 O -0.0199 0.0051 0.0008 838 SER 109 CB 0.0004 0.0194 -0.0090 839 SER 109 OG 0.0171 0.0268 -0.0200 840 ASP 110 N -0.0078 0.0107 -0.0065 841 ASP 110 CA -0.0102 -0.0063 -0.0090 842 ASP 110 C -0.0167 -0.0108 0.0048 843 ASP 110 O -0.0216 -0.0060 0.0189 844 ASP 110 CB -0.0117 -0.0193 -0.0114 845 ASP 110 CG -0.0047 -0.0180 -0.0280 846 ASP 110 OD1 -0.0006 -0.0218 -0.0398 847 ASP 110 OD2 -0.0033 -0.0135 -0.0290 848 SER 111 N 0.0046 -0.0167 0.0053 849 SER 111 CA 0.0005 -0.0119 0.0057 850 SER 111 C 0.0004 -0.0235 0.0108 851 SER 111 O 0.0075 -0.0346 0.0112 852 SER 111 CB 0.0090 -0.0031 -0.0033 853 SER 111 OG 0.0096 0.0088 -0.0087 854 GLN 112 N 0.0038 -0.0186 0.0040 855 GLN 112 CA -0.0009 -0.0152 0.0009 856 GLN 112 C -0.0006 -0.0005 0.0002 857 GLN 112 O -0.0034 0.0063 -0.0020 858 GLN 112 CB -0.0129 -0.0203 -0.0066 859 GLN 112 CG -0.0166 -0.0229 -0.0088 860 GLN 112 CD -0.0290 -0.0221 -0.0168 861 GLN 112 OE1 -0.0335 -0.0116 -0.0203 862 GLN 112 NE2 -0.0348 -0.0334 -0.0198 863 GLU 113 N -0.0035 0.0273 -0.0004 864 GLU 113 CA -0.0070 0.0301 0.0038 865 GLU 113 C -0.0076 0.0355 -0.0031 866 GLU 113 O -0.0091 0.0413 -0.0086 867 GLU 113 CB -0.0129 0.0345 0.0115 868 GLU 113 CG -0.0163 0.0362 0.0173 869 GLU 113 CD -0.0211 0.0377 0.0265 870 GLU 113 OE1 -0.0195 0.0317 0.0322 871 GLU 113 OE2 -0.0262 0.0446 0.0282 872 LEU 114 N 0.0000 0.0103 0.0027 873 LEU 114 CA -0.0021 0.0132 -0.0008 874 LEU 114 C -0.0011 0.0186 -0.0003 875 LEU 114 O -0.0007 0.0200 0.0002 876 LEU 114 CB -0.0051 0.0119 -0.0049 877 LEU 114 CG -0.0067 0.0068 -0.0064 878 LEU 114 CD1 -0.0093 0.0054 -0.0098 879 LEU 114 CD2 -0.0078 0.0068 -0.0079 880 LEU 115 N 0.0178 0.0446 -0.0164 881 LEU 115 CA -0.0035 0.0486 0.0031 882 LEU 115 C 0.0192 0.0301 -0.0062 883 LEU 115 O 0.0450 0.0354 -0.0381 884 LEU 115 CB -0.0296 0.0931 -0.0049 885 LEU 115 CG -0.0537 0.1146 0.0035 886 LEU 115 CD1 -0.0672 0.1602 -0.0189 887 LEU 115 CD2 -0.0851 0.1052 0.0447 888 ALA 116 N 0.0024 0.0091 0.0046 889 ALA 116 CA 0.0087 0.0026 0.0037 890 ALA 116 C 0.0056 -0.0053 0.0021 891 ALA 116 O -0.0020 -0.0068 0.0015 892 ALA 116 CB 0.0103 0.0009 0.0035 893 GLU 117 N 0.0099 -0.0051 -0.0079 894 GLU 117 CA 0.0060 -0.0107 -0.0040 895 GLU 117 C 0.0107 -0.0152 0.0005 896 GLU 117 O 0.0081 -0.0199 0.0039 897 GLU 117 CB 0.0030 -0.0119 -0.0034 898 GLU 117 CG -0.0035 -0.0084 -0.0072 899 GLU 117 CD -0.0048 -0.0078 -0.0079 900 GLU 117 OE1 -0.0005 -0.0044 -0.0100 901 GLU 117 OE2 -0.0099 -0.0108 -0.0062 902 GLY 118 N 0.0077 -0.0134 0.0066 903 GLY 118 CA 0.0072 -0.0130 0.0063 904 GLY 118 C 0.0049 -0.0087 0.0073 905 GLY 118 O 0.0051 -0.0062 0.0104 906 VAL 119 N -0.0030 -0.0109 0.0096 907 VAL 119 CA -0.0061 -0.0090 0.0103 908 VAL 119 C -0.0091 -0.0051 0.0092 909 VAL 119 O -0.0078 -0.0024 0.0062 910 VAL 119 CB -0.0044 -0.0083 0.0085 911 VAL 119 CG1 -0.0079 -0.0067 0.0097 912 VAL 119 CG2 -0.0011 -0.0122 0.0093 913 PHE 120 N -0.0130 0.0035 0.0105 914 PHE 120 CA -0.0149 0.0052 0.0094 915 PHE 120 C -0.0188 0.0076 0.0100 916 PHE 120 O -0.0204 0.0077 0.0135 917 PHE 120 CB -0.0143 0.0039 0.0121 918 PHE 120 CG -0.0106 0.0017 0.0111 919 PHE 120 CD1 -0.0078 -0.0007 0.0129 920 PHE 120 CD2 -0.0098 0.0019 0.0085 921 PHE 120 CE1 -0.0044 -0.0028 0.0121 922 PHE 120 CE2 -0.0063 -0.0002 0.0077 923 PHE 120 CZ -0.0036 -0.0026 0.0095 924 VAL 121 N -0.0267 0.0045 0.0045 925 VAL 121 CA -0.0285 0.0041 0.0048 926 VAL 121 C -0.0315 0.0055 0.0033 927 VAL 121 O -0.0314 0.0077 0.0014 928 VAL 121 CB -0.0265 0.0047 0.0044 929 VAL 121 CG1 -0.0284 0.0041 0.0048 930 VAL 121 CG2 -0.0234 0.0034 0.0058 931 TYR 122 N -0.0236 0.0102 0.0024 932 TYR 122 CA -0.0205 0.0076 0.0016 933 TYR 122 C -0.0203 0.0070 0.0017 934 TYR 122 O -0.0182 0.0087 0.0006 935 TYR 122 CB -0.0168 0.0092 0.0000 936 TYR 122 CG -0.0171 0.0098 -0.0000 937 TYR 122 CD1 -0.0171 0.0066 0.0005 938 TYR 122 CD2 -0.0175 0.0136 -0.0004 939 TYR 122 CE1 -0.0176 0.0072 0.0006 940 TYR 122 CE2 -0.0179 0.0142 -0.0003 941 TYR 122 CZ -0.0180 0.0110 0.0002 942 TYR 122 OH -0.0186 0.0116 0.0003 943 LEU 123 N -0.0178 -0.0063 0.0017 944 LEU 123 CA -0.0171 -0.0084 0.0020 945 LEU 123 C -0.0157 -0.0140 0.0032 946 LEU 123 O -0.0175 -0.0166 0.0055 947 LEU 123 CB -0.0212 -0.0072 0.0045 948 LEU 123 CG -0.0231 -0.0017 0.0037 949 LEU 123 CD1 -0.0275 -0.0010 0.0065 950 LEU 123 CD2 -0.0201 0.0010 0.0005 951 GLN 124 N -0.0405 -0.0406 -0.0148 952 GLN 124 CA -0.0270 -0.0458 0.0013 953 GLN 124 C -0.0266 -0.0439 -0.0010 954 GLN 124 O -0.0290 -0.0334 -0.0164 955 GLN 124 CB -0.0051 -0.0377 0.0057 956 GLN 124 CG -0.0055 -0.0419 0.0108 957 GLN 124 CD 0.0150 -0.0320 0.0121 958 GLN 124 OE1 0.0233 -0.0180 -0.0004 959 GLN 124 NE2 0.0229 -0.0396 0.0274 960 GLY 125 N -0.0032 -0.0350 0.0067 961 GLY 125 CA 0.0114 -0.0278 0.0062 962 GLY 125 C 0.0142 -0.0152 0.0188 963 GLY 125 O 0.0054 -0.0118 0.0277 964 SER 126 N 0.0220 0.0154 0.0210 965 SER 126 CA 0.0092 -0.0048 0.0021 966 SER 126 C 0.0118 -0.0176 -0.0149 967 SER 126 O -0.0051 -0.0337 -0.0267 968 SER 126 CB -0.0218 -0.0092 0.0115 969 SER 126 OG -0.0358 -0.0052 0.0232 970 LYS 127 N 0.0399 0.0115 0.0060 971 LYS 127 CA 0.0363 -0.0041 -0.0021 972 LYS 127 C 0.0404 -0.0216 0.0128 973 LYS 127 O 0.0461 -0.0211 0.0295 974 LYS 127 CB 0.0297 -0.0134 -0.0202 975 LYS 127 CG 0.0252 0.0026 -0.0358 976 LYS 127 CD 0.0214 0.0098 -0.0482 977 LYS 127 CE 0.0203 0.0321 -0.0551 978 LYS 127 NZ 0.0247 0.0452 -0.0445 979 LYS 127 OXT 0.0377 -0.0368 0.0074