1 LYS 1 N 0.0086 0.0098 -0.0239 2 LYS 1 CA 0.0084 0.0112 -0.0231 3 LYS 1 C 0.0082 0.0114 -0.0210 4 LYS 1 O 0.0084 0.0101 -0.0200 5 LYS 1 CB 0.0085 0.0106 -0.0235 6 LYS 1 CG 0.0082 0.0119 -0.0227 7 LYS 1 CD 0.0084 0.0110 -0.0230 8 LYS 1 CE 0.0081 0.0123 -0.0226 9 LYS 1 NZ 0.0079 0.0132 -0.0208 10 VAL 2 N 0.0031 0.0129 -0.0212 11 VAL 2 CA 0.0029 0.0132 -0.0200 12 VAL 2 C 0.0025 0.0136 -0.0187 13 VAL 2 O 0.0017 0.0144 -0.0188 14 VAL 2 CB 0.0021 0.0140 -0.0205 15 VAL 2 CG1 0.0017 0.0144 -0.0192 16 VAL 2 CG2 0.0024 0.0136 -0.0217 17 PHE 3 N 0.0009 0.0140 -0.0209 18 PHE 3 CA 0.0002 0.0134 -0.0183 19 PHE 3 C -0.0024 0.0151 -0.0162 20 PHE 3 O -0.0035 0.0163 -0.0161 21 PHE 3 CB 0.0016 0.0105 -0.0163 22 PHE 3 CG 0.0038 0.0086 -0.0174 23 PHE 3 CD1 0.0058 0.0076 -0.0197 24 PHE 3 CD2 0.0039 0.0076 -0.0160 25 PHE 3 CE1 0.0079 0.0057 -0.0205 26 PHE 3 CE2 0.0060 0.0057 -0.0169 27 PHE 3 CZ 0.0080 0.0047 -0.0191 28 GLY 4 N -0.0048 0.0197 -0.0150 29 GLY 4 CA -0.0078 0.0205 -0.0133 30 GLY 4 C -0.0085 0.0181 -0.0109 31 GLY 4 O -0.0066 0.0157 -0.0107 32 ARG 5 N -0.0170 0.0220 -0.0138 33 ARG 5 CA -0.0162 0.0188 -0.0084 34 ARG 5 C -0.0141 0.0149 -0.0031 35 ARG 5 O -0.0094 0.0113 -0.0013 36 ARG 5 CB -0.0224 0.0210 -0.0057 37 ARG 5 CG -0.0223 0.0182 -0.0002 38 ARG 5 CD -0.0285 0.0209 0.0017 39 ARG 5 NE -0.0338 0.0230 0.0034 40 ARG 5 CZ -0.0357 0.0212 0.0092 41 ARG 5 NH1 -0.0328 0.0172 0.0138 42 ARG 5 NH2 -0.0405 0.0234 0.0103 43 CYS 6 N -0.0192 0.0178 -0.0039 44 CYS 6 CA -0.0179 0.0150 0.0009 45 CYS 6 C -0.0129 0.0124 -0.0025 46 CYS 6 O -0.0095 0.0086 0.0009 47 CYS 6 CB -0.0233 0.0182 0.0038 48 CYS 6 SG -0.0289 0.0205 0.0093 49 GLU 7 N -0.0076 0.0134 -0.0071 50 GLU 7 CA -0.0041 0.0119 -0.0096 51 GLU 7 C -0.0023 0.0091 -0.0095 52 GLU 7 O -0.0000 0.0061 -0.0096 53 GLU 7 CB -0.0031 0.0150 -0.0131 54 GLU 7 CG 0.0004 0.0137 -0.0159 55 GLU 7 CD 0.0015 0.0168 -0.0194 56 GLU 7 OE1 -0.0003 0.0197 -0.0197 57 GLU 7 OE2 0.0041 0.0162 -0.0218 58 LEU 8 N -0.0024 0.0087 -0.0098 59 LEU 8 CA -0.0001 0.0058 -0.0096 60 LEU 8 C 0.0005 0.0041 -0.0059 61 LEU 8 O 0.0026 0.0015 -0.0058 62 LEU 8 CB -0.0002 0.0060 -0.0101 63 LEU 8 CG 0.0022 0.0031 -0.0100 64 LEU 8 CD1 0.0041 0.0016 -0.0131 65 LEU 8 CD2 0.0019 0.0035 -0.0102 66 ALA 9 N -0.0038 0.0052 -0.0029 67 ALA 9 CA -0.0034 0.0033 0.0017 68 ALA 9 C -0.0018 0.0015 0.0023 69 ALA 9 O 0.0006 -0.0015 0.0039 70 ALA 9 CB -0.0068 0.0056 0.0050 71 ALA 10 N -0.0028 0.0038 0.0006 72 ALA 10 CA -0.0015 0.0023 0.0008 73 ALA 10 C 0.0019 -0.0002 -0.0018 74 ALA 10 O 0.0038 -0.0028 -0.0004 75 ALA 10 CB -0.0033 0.0049 -0.0007 76 ALA 11 N 0.0039 0.0005 -0.0072 77 ALA 11 CA 0.0065 -0.0013 -0.0095 78 ALA 11 C 0.0077 -0.0041 -0.0078 79 ALA 11 O 0.0098 -0.0067 -0.0083 80 ALA 11 CB 0.0068 0.0006 -0.0126 81 MET 12 N 0.0061 -0.0035 -0.0058 82 MET 12 CA 0.0074 -0.0056 -0.0043 83 MET 12 C 0.0077 -0.0071 -0.0016 84 MET 12 O 0.0095 -0.0093 -0.0010 85 MET 12 CB 0.0064 -0.0049 -0.0033 86 MET 12 CG 0.0065 -0.0040 -0.0060 87 MET 12 SD 0.0053 -0.0031 -0.0047 88 MET 12 CE 0.0070 -0.0038 -0.0075 89 LYS 13 N 0.0047 -0.0068 0.0002 90 LYS 13 CA 0.0051 -0.0092 0.0065 91 LYS 13 C 0.0088 -0.0123 0.0047 92 LYS 13 O 0.0125 -0.0168 0.0075 93 LYS 13 CB -0.0001 -0.0052 0.0102 94 LYS 13 CG 0.0001 -0.0076 0.0171 95 LYS 13 CD -0.0052 -0.0037 0.0213 96 LYS 13 CE -0.0049 -0.0063 0.0285 97 LYS 13 NZ -0.0100 -0.0028 0.0332 98 ARG 14 N 0.0075 -0.0110 -0.0007 99 ARG 14 CA 0.0103 -0.0135 -0.0032 100 ARG 14 C 0.0130 -0.0168 -0.0046 101 ARG 14 O 0.0151 -0.0202 -0.0050 102 ARG 14 CB 0.0110 -0.0104 -0.0071 103 ARG 14 CG 0.0138 -0.0126 -0.0098 104 ARG 14 CD 0.0142 -0.0094 -0.0134 105 ARG 14 NE 0.0147 -0.0070 -0.0165 106 ARG 14 CZ 0.0174 -0.0082 -0.0199 107 ARG 14 NH1 0.0199 -0.0119 -0.0207 108 ARG 14 NH2 0.0176 -0.0057 -0.0226 109 HIS 15 N 0.0110 -0.0134 -0.0075 110 HIS 15 CA 0.0126 -0.0151 -0.0084 111 HIS 15 C 0.0123 -0.0173 -0.0060 112 HIS 15 O 0.0133 -0.0186 -0.0064 113 HIS 15 CB 0.0129 -0.0133 -0.0103 114 HIS 15 CG 0.0142 -0.0123 -0.0132 115 HIS 15 ND1 0.0134 -0.0096 -0.0142 116 HIS 15 CD2 0.0164 -0.0135 -0.0152 117 HIS 15 CE1 0.0149 -0.0093 -0.0167 118 HIS 15 NE2 0.0167 -0.0116 -0.0174 119 GLY 16 N 0.0116 -0.0147 -0.0008 120 GLY 16 CA 0.0109 -0.0158 0.0001 121 GLY 16 C 0.0095 -0.0149 0.0002 122 GLY 16 O 0.0093 -0.0157 0.0008 123 LEU 17 N 0.0083 -0.0111 0.0004 124 LEU 17 CA 0.0078 -0.0109 0.0009 125 LEU 17 C 0.0063 -0.0105 0.0037 126 LEU 17 O 0.0063 -0.0108 0.0046 127 LEU 17 CB 0.0070 -0.0092 -0.0016 128 LEU 17 CG 0.0088 -0.0099 -0.0042 129 LEU 17 CD1 0.0077 -0.0082 -0.0062 130 LEU 17 CD2 0.0107 -0.0118 -0.0036 131 ASP 18 N 0.0060 -0.0103 0.0073 132 ASP 18 CA 0.0047 -0.0096 0.0104 133 ASP 18 C 0.0067 -0.0115 0.0129 134 ASP 18 O 0.0080 -0.0126 0.0139 135 ASP 18 CB 0.0026 -0.0080 0.0118 136 ASP 18 CG 0.0009 -0.0069 0.0148 137 ASP 18 OD1 0.0009 -0.0070 0.0153 138 ASP 18 OD2 -0.0004 -0.0060 0.0165 139 ASN 19 N 0.0051 -0.0089 0.0098 140 ASN 19 CA 0.0061 -0.0099 0.0111 141 ASN 19 C 0.0078 -0.0110 0.0105 142 ASN 19 O 0.0088 -0.0119 0.0116 143 ASN 19 CB 0.0057 -0.0099 0.0131 144 ASN 19 CG 0.0043 -0.0090 0.0141 145 ASN 19 OD1 0.0042 -0.0090 0.0144 146 ASN 19 ND2 0.0032 -0.0083 0.0147 147 TYR 20 N 0.0077 -0.0092 0.0030 148 TYR 20 CA 0.0075 -0.0111 0.0024 149 TYR 20 C 0.0080 -0.0124 0.0040 150 TYR 20 O 0.0083 -0.0123 0.0048 151 TYR 20 CB 0.0069 -0.0115 0.0008 152 TYR 20 CG 0.0065 -0.0134 -0.0001 153 TYR 20 CD1 0.0061 -0.0136 -0.0013 154 TYR 20 CD2 0.0067 -0.0151 0.0004 155 TYR 20 CE1 0.0058 -0.0154 -0.0020 156 TYR 20 CE2 0.0064 -0.0168 -0.0003 157 TYR 20 CZ 0.0060 -0.0170 -0.0015 158 TYR 20 OH 0.0057 -0.0188 -0.0022 159 ARG 21 N 0.0082 -0.0095 0.0020 160 ARG 21 CA 0.0083 -0.0111 0.0042 161 ARG 21 C 0.0093 -0.0097 0.0064 162 ARG 21 O 0.0095 -0.0105 0.0084 163 ARG 21 CB 0.0079 -0.0128 0.0045 164 ARG 21 CG 0.0070 -0.0146 0.0028 165 ARG 21 CD 0.0065 -0.0163 0.0029 166 ARG 21 NE 0.0056 -0.0175 0.0007 167 ARG 21 CZ 0.0049 -0.0198 0.0005 168 ARG 21 NH1 0.0050 -0.0212 0.0025 169 ARG 21 NH2 0.0041 -0.0207 -0.0016 170 GLY 22 N 0.0102 -0.0111 0.0112 171 GLY 22 CA 0.0101 -0.0102 0.0126 172 GLY 22 C 0.0093 -0.0093 0.0120 173 GLY 22 O 0.0093 -0.0086 0.0132 174 TYR 23 N 0.0107 -0.0081 0.0110 175 TYR 23 CA 0.0090 -0.0082 0.0096 176 TYR 23 C 0.0070 -0.0081 0.0104 177 TYR 23 O 0.0069 -0.0081 0.0105 178 TYR 23 CB 0.0095 -0.0084 0.0075 179 TYR 23 CG 0.0113 -0.0086 0.0065 180 TYR 23 CD1 0.0109 -0.0087 0.0053 181 TYR 23 CD2 0.0133 -0.0086 0.0067 182 TYR 23 CE1 0.0125 -0.0088 0.0043 183 TYR 23 CE2 0.0149 -0.0087 0.0058 184 TYR 23 CZ 0.0145 -0.0088 0.0046 185 TYR 23 OH 0.0161 -0.0089 0.0037 186 SER 24 N 0.0054 -0.0093 0.0166 187 SER 24 CA 0.0039 -0.0066 0.0160 188 SER 24 C 0.0033 -0.0049 0.0124 189 SER 24 O 0.0037 -0.0052 0.0110 190 SER 24 CB 0.0022 -0.0045 0.0190 191 SER 24 OG 0.0016 -0.0035 0.0193 192 LEU 25 N 0.0027 -0.0058 0.0148 193 LEU 25 CA 0.0019 -0.0047 0.0121 194 LEU 25 C 0.0003 -0.0034 0.0103 195 LEU 25 O 0.0007 -0.0030 0.0076 196 LEU 25 CB 0.0003 -0.0040 0.0129 197 LEU 25 CG 0.0000 -0.0033 0.0104 198 LEU 25 CD1 0.0027 -0.0045 0.0089 199 LEU 25 CD2 -0.0014 -0.0029 0.0119 200 GLY 26 N 0.0004 -0.0018 0.0164 201 GLY 26 CA -0.0018 0.0004 0.0149 202 GLY 26 C 0.0005 -0.0011 0.0121 203 GLY 26 O -0.0008 0.0007 0.0088 204 ASN 27 N 0.0032 -0.0027 0.0108 205 ASN 27 CA 0.0054 -0.0038 0.0085 206 ASN 27 C 0.0059 -0.0040 0.0051 207 ASN 27 O 0.0059 -0.0040 0.0023 208 ASN 27 CB 0.0086 -0.0054 0.0103 209 ASN 27 CG 0.0085 -0.0054 0.0131 210 ASN 27 OD1 0.0085 -0.0054 0.0123 211 ASN 27 ND2 0.0085 -0.0054 0.0164 212 TRP 28 N 0.0046 -0.0044 0.0005 213 TRP 28 CA 0.0052 -0.0044 -0.0011 214 TRP 28 C 0.0046 -0.0030 -0.0021 215 TRP 28 O 0.0049 -0.0027 -0.0033 216 TRP 28 CB 0.0059 -0.0051 -0.0014 217 TRP 28 CG 0.0067 -0.0066 -0.0007 218 TRP 28 CD1 0.0066 -0.0072 0.0006 219 TRP 28 CD2 0.0076 -0.0076 -0.0012 220 TRP 28 NE1 0.0074 -0.0085 0.0010 221 TRP 28 CE2 0.0081 -0.0088 -0.0002 222 TRP 28 CE3 0.0081 -0.0076 -0.0025 223 TRP 28 CZ2 0.0090 -0.0100 -0.0004 224 TRP 28 CZ3 0.0091 -0.0088 -0.0027 225 TRP 28 CH2 0.0095 -0.0099 -0.0016 226 VAL 29 N 0.0027 -0.0012 0.0009 227 VAL 29 CA 0.0000 0.0012 -0.0014 228 VAL 29 C -0.0006 0.0017 -0.0024 229 VAL 29 O -0.0015 0.0025 -0.0057 230 VAL 29 CB -0.0027 0.0034 0.0009 231 VAL 29 CG1 -0.0056 0.0060 -0.0013 232 VAL 29 CG2 -0.0022 0.0030 0.0015 233 CYS 30 N -0.0004 0.0006 -0.0006 234 CYS 30 CA -0.0008 0.0009 -0.0016 235 CYS 30 C 0.0013 -0.0003 -0.0046 236 CYS 30 O 0.0004 0.0003 -0.0071 237 CYS 30 CB -0.0003 0.0005 0.0014 238 CYS 30 SG -0.0010 0.0010 0.0005 239 ALA 31 N 0.0052 -0.0033 -0.0048 240 ALA 31 CA 0.0067 -0.0043 -0.0066 241 ALA 31 C 0.0063 -0.0037 -0.0092 242 ALA 31 O 0.0064 -0.0035 -0.0109 243 ALA 31 CB 0.0086 -0.0061 -0.0060 244 ALA 32 N 0.0060 -0.0023 -0.0084 245 ALA 32 CA 0.0060 -0.0017 -0.0099 246 ALA 32 C 0.0045 -0.0004 -0.0109 247 ALA 32 O 0.0047 0.0002 -0.0125 248 ALA 32 CB 0.0060 -0.0019 -0.0093 249 LYS 33 N 0.0006 0.0015 -0.0094 250 LYS 33 CA -0.0026 0.0031 -0.0112 251 LYS 33 C -0.0017 0.0031 -0.0142 252 LYS 33 O -0.0027 0.0039 -0.0174 253 LYS 33 CB -0.0052 0.0038 -0.0081 254 LYS 33 CG -0.0084 0.0054 -0.0098 255 LYS 33 CD -0.0108 0.0066 -0.0118 256 LYS 33 CE -0.0138 0.0081 -0.0138 257 LYS 33 NZ -0.0162 0.0094 -0.0156 258 PHE 34 N -0.0003 -0.0001 -0.0123 259 PHE 34 CA 0.0007 -0.0000 -0.0152 260 PHE 34 C 0.0037 -0.0005 -0.0176 261 PHE 34 O 0.0041 -0.0003 -0.0205 262 PHE 34 CB 0.0011 -0.0003 -0.0137 263 PHE 34 CG -0.0022 0.0004 -0.0120 264 PHE 34 CD1 -0.0052 0.0014 -0.0140 265 PHE 34 CD2 -0.0024 0.0001 -0.0085 266 PHE 34 CE1 -0.0084 0.0020 -0.0125 267 PHE 34 CE2 -0.0055 0.0007 -0.0069 268 PHE 34 CZ -0.0085 0.0016 -0.0089 269 GLU 35 N 0.0123 -0.0048 -0.0144 270 GLU 35 CA 0.0126 -0.0060 -0.0154 271 GLU 35 C 0.0126 -0.0053 -0.0169 272 GLU 35 O 0.0127 -0.0056 -0.0173 273 GLU 35 CB 0.0128 -0.0073 -0.0156 274 GLU 35 CG 0.0129 -0.0083 -0.0143 275 GLU 35 CD 0.0131 -0.0093 -0.0139 276 GLU 35 OE1 0.0131 -0.0093 -0.0148 277 GLU 35 OE2 0.0131 -0.0100 -0.0127 278 SER 36 N 0.0099 -0.0005 -0.0144 279 SER 36 CA 0.0098 0.0003 -0.0162 280 SER 36 C 0.0080 0.0016 -0.0163 281 SER 36 O 0.0079 0.0022 -0.0177 282 SER 36 CB 0.0112 -0.0006 -0.0164 283 SER 36 OG 0.0106 -0.0009 -0.0147 284 ASN 37 N 0.0047 0.0040 -0.0170 285 ASN 37 CA 0.0012 0.0059 -0.0167 286 ASN 37 C 0.0015 0.0055 -0.0162 287 ASN 37 O -0.0003 0.0071 -0.0177 288 ASN 37 CB -0.0005 0.0082 -0.0202 289 ASN 37 CG -0.0045 0.0101 -0.0195 290 ASN 37 OD1 -0.0063 0.0100 -0.0163 291 ASN 37 ND2 -0.0059 0.0121 -0.0224 292 PHE 38 N 0.0007 0.0084 -0.0166 293 PHE 38 CA 0.0015 0.0076 -0.0159 294 PHE 38 C 0.0030 0.0080 -0.0181 295 PHE 38 O 0.0033 0.0077 -0.0179 296 PHE 38 CB -0.0008 0.0081 -0.0145 297 PHE 38 CG -0.0023 0.0075 -0.0122 298 PHE 38 CD1 -0.0010 0.0060 -0.0106 299 PHE 38 CD2 -0.0049 0.0085 -0.0114 300 PHE 38 CE1 -0.0024 0.0055 -0.0084 301 PHE 38 CE2 -0.0062 0.0080 -0.0092 302 PHE 38 CZ -0.0050 0.0064 -0.0077 303 ASN 39 N 0.0077 0.0040 -0.0146 304 ASN 39 CA 0.0087 0.0043 -0.0162 305 ASN 39 C 0.0098 0.0027 -0.0167 306 ASN 39 O 0.0098 0.0021 -0.0164 307 ASN 39 CB 0.0084 0.0057 -0.0168 308 ASN 39 CG 0.0092 0.0062 -0.0186 309 ASN 39 OD1 0.0100 0.0056 -0.0194 310 ASN 39 ND2 0.0090 0.0073 -0.0191 311 THR 40 N 0.0137 0.0028 -0.0154 312 THR 40 CA 0.0130 0.0007 -0.0164 313 THR 40 C 0.0127 -0.0003 -0.0165 314 THR 40 O 0.0121 -0.0022 -0.0167 315 THR 40 CB 0.0130 0.0009 -0.0187 316 THR 40 OG1 0.0135 0.0023 -0.0200 317 THR 40 CG2 0.0133 0.0016 -0.0187 318 GLN 41 N 0.0124 0.0023 -0.0162 319 GLN 41 CA 0.0112 -0.0001 -0.0157 320 GLN 41 C 0.0115 -0.0021 -0.0114 321 GLN 41 O 0.0107 -0.0040 -0.0107 322 GLN 41 CB 0.0118 0.0020 -0.0174 323 GLN 41 CG 0.0112 0.0034 -0.0219 324 GLN 41 CD 0.0113 0.0047 -0.0236 325 GLN 41 OE1 0.0099 0.0023 -0.0241 326 GLN 41 NE2 0.0130 0.0083 -0.0245 327 ALA 42 N 0.0123 -0.0043 -0.0109 328 ALA 42 CA 0.0131 -0.0055 -0.0094 329 ALA 42 C 0.0128 -0.0076 -0.0092 330 ALA 42 O 0.0125 -0.0080 -0.0096 331 ALA 42 CB 0.0143 -0.0044 -0.0078 332 THR 43 N 0.0175 -0.0209 0.0019 333 THR 43 CA 0.0140 -0.0209 0.0033 334 THR 43 C 0.0168 -0.0234 0.0051 335 THR 43 O 0.0203 -0.0260 0.0067 336 THR 43 CB 0.0095 -0.0221 0.0065 337 THR 43 OG1 0.0112 -0.0255 0.0098 338 THR 43 CG2 0.0063 -0.0196 0.0048 339 ASN 44 N 0.0161 -0.0263 0.0046 340 ASN 44 CA 0.0199 -0.0298 0.0049 341 ASN 44 C 0.0195 -0.0313 0.0052 342 ASN 44 O 0.0189 -0.0282 0.0047 343 ASN 44 CB 0.0251 -0.0279 0.0042 344 ASN 44 CG 0.0267 -0.0285 0.0042 345 ASN 44 OD1 0.0264 -0.0252 0.0036 346 ASN 44 ND2 0.0284 -0.0329 0.0049 347 ARG 45 N 0.0222 -0.0491 0.0147 348 ARG 45 CA 0.0187 -0.0440 0.0161 349 ARG 45 C 0.0233 -0.0420 0.0077 350 ARG 45 O 0.0292 -0.0484 0.0038 351 ARG 45 CB 0.0165 -0.0501 0.0241 352 ARG 45 CG 0.0111 -0.0446 0.0279 353 ARG 45 CD 0.0044 -0.0385 0.0333 354 ARG 45 NE -0.0009 -0.0320 0.0363 355 ARG 45 CZ -0.0054 -0.0339 0.0443 356 ARG 45 NH1 -0.0051 -0.0422 0.0503 357 ARG 45 NH2 -0.0103 -0.0272 0.0465 358 ASN 46 N 0.0197 -0.0339 0.0064 359 ASN 46 CA 0.0244 -0.0321 0.0007 360 ASN 46 C 0.0223 -0.0344 0.0043 361 ASN 46 O 0.0162 -0.0349 0.0105 362 ASN 46 CB 0.0233 -0.0226 -0.0049 363 ASN 46 CG 0.0255 -0.0200 -0.0088 364 ASN 46 OD1 0.0209 -0.0143 -0.0084 365 ASN 46 ND2 0.0328 -0.0241 -0.0128 366 THR 47 N 0.0415 -0.0452 -0.0030 367 THR 47 CA 0.0395 -0.0500 0.0019 368 THR 47 C 0.0246 -0.0342 0.0073 369 THR 47 O 0.0169 -0.0393 0.0181 370 THR 47 CB 0.0555 -0.0531 -0.0123 371 THR 47 OG1 0.0608 -0.0364 -0.0277 372 THR 47 CG2 0.0694 -0.0729 -0.0143 373 ASP 48 N 0.0130 -0.0163 -0.0013 374 ASP 48 CA 0.0041 -0.0061 0.0015 375 ASP 48 C -0.0026 -0.0053 0.0123 376 ASP 48 O -0.0103 0.0032 0.0150 377 ASP 48 CB 0.0029 0.0036 -0.0088 378 ASP 48 CG 0.0037 0.0047 -0.0115 379 ASP 48 OD1 0.0076 -0.0034 -0.0082 380 ASP 48 OD2 0.0004 0.0137 -0.0170 381 GLY 49 N 0.0006 -0.0135 0.0178 382 GLY 49 CA -0.0054 -0.0134 0.0261 383 GLY 49 C -0.0066 -0.0100 0.0232 384 GLY 49 O -0.0099 -0.0116 0.0300 385 SER 50 N -0.0046 -0.0051 0.0138 386 SER 50 CA -0.0053 -0.0028 0.0122 387 SER 50 C 0.0004 -0.0107 0.0120 388 SER 50 O 0.0054 -0.0172 0.0113 389 SER 50 CB -0.0053 0.0044 0.0034 390 SER 50 OG 0.0010 0.0016 -0.0042 391 THR 51 N 0.0000 -0.0114 0.0102 392 THR 51 CA 0.0049 -0.0159 0.0099 393 THR 51 C 0.0068 -0.0122 0.0035 394 THR 51 O 0.0027 -0.0063 0.0013 395 THR 51 CB 0.0019 -0.0188 0.0167 396 THR 51 OG1 0.0001 -0.0223 0.0226 397 THR 51 CG2 0.0068 -0.0236 0.0167 398 ASP 52 N 0.0100 -0.0138 -0.0007 399 ASP 52 CA 0.0119 -0.0116 -0.0048 400 ASP 52 C 0.0115 -0.0131 -0.0029 401 ASP 52 O 0.0129 -0.0172 -0.0000 402 ASP 52 CB 0.0171 -0.0133 -0.0083 403 ASP 52 CG 0.0177 -0.0115 -0.0107 404 ASP 52 OD1 0.0143 -0.0080 -0.0109 405 ASP 52 OD2 0.0216 -0.0137 -0.0123 406 TYR 53 N 0.0116 -0.0096 -0.0031 407 TYR 53 CA 0.0137 -0.0105 -0.0030 408 TYR 53 C 0.0171 -0.0103 -0.0086 409 TYR 53 O 0.0156 -0.0083 -0.0136 410 TYR 53 CB 0.0087 -0.0088 -0.0017 411 TYR 53 CG 0.0052 -0.0090 0.0042 412 TYR 53 CD1 0.0011 -0.0075 0.0050 413 TYR 53 CD2 0.0062 -0.0107 0.0091 414 TYR 53 CE1 -0.0021 -0.0077 0.0105 415 TYR 53 CE2 0.0031 -0.0109 0.0146 416 TYR 53 CZ -0.0011 -0.0094 0.0153 417 TYR 53 OH -0.0041 -0.0097 0.0207 418 GLY 54 N 0.0124 -0.0065 -0.0107 419 GLY 54 CA 0.0137 -0.0058 -0.0125 420 GLY 54 C 0.0156 -0.0056 -0.0135 421 GLY 54 O 0.0163 -0.0060 -0.0128 422 ILE 55 N 0.0128 -0.0040 -0.0170 423 ILE 55 CA 0.0124 -0.0032 -0.0156 424 ILE 55 C 0.0132 -0.0038 -0.0144 425 ILE 55 O 0.0128 -0.0033 -0.0136 426 ILE 55 CB 0.0119 -0.0027 -0.0150 427 ILE 55 CG1 0.0112 -0.0017 -0.0137 428 ILE 55 CG2 0.0129 -0.0036 -0.0144 429 ILE 55 CD1 0.0099 -0.0006 -0.0144 430 LEU 56 N 0.0123 -0.0064 -0.0155 431 LEU 56 CA 0.0124 -0.0069 -0.0146 432 LEU 56 C 0.0128 -0.0074 -0.0149 433 LEU 56 O 0.0131 -0.0079 -0.0143 434 LEU 56 CB 0.0128 -0.0076 -0.0140 435 LEU 56 CG 0.0124 -0.0072 -0.0133 436 LEU 56 CD1 0.0128 -0.0078 -0.0129 437 LEU 56 CD2 0.0120 -0.0068 -0.0124 438 GLN 57 N 0.0165 -0.0070 -0.0159 439 GLN 57 CA 0.0157 -0.0078 -0.0144 440 GLN 57 C 0.0139 -0.0073 -0.0146 441 GLN 57 O 0.0140 -0.0075 -0.0143 442 GLN 57 CB 0.0175 -0.0086 -0.0137 443 GLN 57 CG 0.0191 -0.0095 -0.0129 444 GLN 57 CD 0.0182 -0.0105 -0.0112 445 GLN 57 OE1 0.0182 -0.0114 -0.0098 446 GLN 57 NE2 0.0174 -0.0103 -0.0112 447 ILE 58 N 0.0095 -0.0078 -0.0141 448 ILE 58 CA 0.0072 -0.0051 -0.0145 449 ILE 58 C 0.0061 -0.0036 -0.0119 450 ILE 58 O 0.0067 -0.0042 -0.0090 451 ILE 58 CB 0.0068 -0.0045 -0.0144 452 ILE 58 CG1 0.0077 -0.0058 -0.0174 453 ILE 58 CG2 0.0044 -0.0017 -0.0142 454 ILE 58 CD1 0.0076 -0.0057 -0.0174 455 ASN 59 N 0.0036 -0.0012 -0.0166 456 ASN 59 CA 0.0015 0.0008 -0.0132 457 ASN 59 C -0.0024 0.0054 -0.0084 458 ASN 59 O -0.0046 0.0098 -0.0099 459 ASN 59 CB 0.0016 0.0030 -0.0186 460 ASN 59 CG 0.0000 0.0044 -0.0156 461 ASN 59 OD1 -0.0032 0.0095 -0.0147 462 ASN 59 ND2 0.0023 -0.0001 -0.0140 463 SER 60 N -0.0046 0.0048 -0.0025 464 SER 60 CA -0.0092 0.0092 0.0035 465 SER 60 C -0.0135 0.0158 0.0021 466 SER 60 O -0.0175 0.0202 0.0058 467 SER 60 CB -0.0086 0.0056 0.0114 468 SER 60 OG -0.0076 0.0041 0.0118 469 ARG 61 N -0.0129 0.0161 -0.0023 470 ARG 61 CA -0.0182 0.0253 -0.0051 471 ARG 61 C -0.0216 0.0312 -0.0101 472 ARG 61 O -0.0265 0.0395 -0.0083 473 ARG 61 CB -0.0177 0.0247 -0.0127 474 ARG 61 CG -0.0229 0.0338 -0.0178 475 ARG 61 CD -0.0265 0.0397 -0.0101 476 ARG 61 NE -0.0243 0.0358 -0.0077 477 ARG 61 CZ -0.0256 0.0375 0.0010 478 ARG 61 NH1 -0.0290 0.0431 0.0083 479 ARG 61 NH2 -0.0233 0.0336 0.0024 480 TRP 62 N -0.0161 0.0246 -0.0124 481 TRP 62 CA -0.0183 0.0284 -0.0166 482 TRP 62 C -0.0161 0.0244 -0.0129 483 TRP 62 O -0.0182 0.0294 -0.0122 484 TRP 62 CB -0.0190 0.0266 -0.0281 485 TRP 62 CG -0.0215 0.0306 -0.0336 486 TRP 62 CD1 -0.0199 0.0259 -0.0372 487 TRP 62 CD2 -0.0259 0.0401 -0.0363 488 TRP 62 NE1 -0.0231 0.0320 -0.0420 489 TRP 62 CE2 -0.0269 0.0407 -0.0415 490 TRP 62 CE3 -0.0292 0.0482 -0.0349 491 TRP 62 CZ2 -0.0310 0.0491 -0.0454 492 TRP 62 CZ3 -0.0333 0.0566 -0.0386 493 TRP 62 CH2 -0.0342 0.0570 -0.0438 494 TRP 63 N -0.0081 0.0099 -0.0141 495 TRP 63 CA -0.0079 0.0084 -0.0122 496 TRP 63 C -0.0075 0.0078 -0.0085 497 TRP 63 O -0.0073 0.0078 -0.0068 498 TRP 63 CB -0.0079 0.0052 -0.0141 499 TRP 63 CG -0.0083 0.0057 -0.0178 500 TRP 63 CD1 -0.0085 0.0049 -0.0201 501 TRP 63 CD2 -0.0086 0.0074 -0.0195 502 TRP 63 NE1 -0.0089 0.0060 -0.0232 503 TRP 63 CE2 -0.0089 0.0075 -0.0229 504 TRP 63 CE3 -0.0085 0.0088 -0.0185 505 TRP 63 CZ2 -0.0092 0.0090 -0.0254 506 TRP 63 CZ3 -0.0088 0.0103 -0.0209 507 TRP 63 CH2 -0.0092 0.0103 -0.0243 508 CYS 64 N -0.0130 0.0131 -0.0039 509 CYS 64 CA -0.0116 0.0121 0.0017 510 CYS 64 C -0.0133 0.0145 0.0079 511 CYS 64 O -0.0145 0.0159 0.0079 512 CYS 64 CB -0.0065 0.0067 0.0024 513 CYS 64 SG -0.0034 0.0034 0.0036 514 ASN 65 N -0.0173 0.0173 0.0106 515 ASN 65 CA -0.0208 0.0181 0.0195 516 ASN 65 C -0.0160 0.0117 0.0266 517 ASN 65 O -0.0133 0.0089 0.0279 518 ASN 65 CB -0.0274 0.0234 0.0227 519 ASN 65 CG -0.0313 0.0245 0.0321 520 ASN 65 OD1 -0.0306 0.0231 0.0350 521 ASN 65 ND2 -0.0353 0.0270 0.0369 522 ASP 66 N -0.0225 0.0113 0.0316 523 ASP 66 CA -0.0167 0.0058 0.0399 524 ASP 66 C -0.0204 0.0092 0.0506 525 ASP 66 O -0.0165 0.0054 0.0580 526 ASP 66 CB -0.0104 -0.0000 0.0369 527 ASP 66 CG -0.0135 0.0029 0.0357 528 ASP 66 OD1 -0.0206 0.0094 0.0372 529 ASP 66 OD2 -0.0088 -0.0015 0.0331 530 GLY 67 N -0.0258 0.0173 0.0555 531 GLY 67 CA -0.0336 0.0228 0.0718 532 GLY 67 C -0.0332 0.0215 0.0782 533 GLY 67 O -0.0392 0.0255 0.0924 534 ARG 68 N -0.0292 0.0153 0.0695 535 ARG 68 CA -0.0285 0.0142 0.0681 536 ARG 68 C -0.0282 0.0171 0.0568 537 ARG 68 O -0.0265 0.0141 0.0540 538 ARG 68 CB -0.0244 0.0034 0.0716 539 ARG 68 CG -0.0200 -0.0047 0.0645 540 ARG 68 CD -0.0163 -0.0144 0.0674 541 ARG 68 NE -0.0120 -0.0219 0.0593 542 ARG 68 CZ -0.0081 -0.0316 0.0607 543 ARG 68 NH1 -0.0080 -0.0350 0.0701 544 ARG 68 NH2 -0.0044 -0.0379 0.0528 545 THR 69 N -0.0296 0.0203 0.0514 546 THR 69 CA -0.0293 0.0234 0.0414 547 THR 69 C -0.0365 0.0339 0.0409 548 THR 69 O -0.0392 0.0389 0.0373 549 THR 69 CB -0.0251 0.0210 0.0312 550 THR 69 OG1 -0.0189 0.0116 0.0331 551 THR 69 CG2 -0.0235 0.0223 0.0212 552 PRO 70 N -0.0406 0.0410 0.0494 553 PRO 70 CA -0.0469 0.0532 0.0495 554 PRO 70 C -0.0475 0.0603 0.0371 555 PRO 70 O -0.0435 0.0568 0.0274 556 PRO 70 CB -0.0483 0.0538 0.0543 557 PRO 70 CG -0.0421 0.0434 0.0504 558 PRO 70 CD -0.0384 0.0347 0.0535 559 GLY 71 N -0.0459 0.0755 0.0395 560 GLY 71 CA -0.0497 0.0805 0.0285 561 GLY 71 C -0.0471 0.0730 0.0197 562 GLY 71 O -0.0498 0.0758 0.0092 563 SER 72 N -0.0416 0.0538 0.0190 564 SER 72 CA -0.0385 0.0479 0.0120 565 SER 72 C -0.0403 0.0504 0.0107 566 SER 72 O -0.0423 0.0548 0.0174 567 SER 72 CB -0.0325 0.0387 0.0156 568 SER 72 OG -0.0312 0.0382 0.0253 569 ARG 73 N -0.0353 0.0487 0.0050 570 ARG 73 CA -0.0371 0.0517 0.0026 571 ARG 73 C -0.0310 0.0412 0.0049 572 ARG 73 O -0.0258 0.0321 0.0025 573 ARG 73 CB -0.0397 0.0558 -0.0111 574 ARG 73 CG -0.0453 0.0655 -0.0140 575 ARG 73 CD -0.0482 0.0700 -0.0274 576 ARG 73 NE -0.0504 0.0738 -0.0302 577 ARG 73 CZ -0.0551 0.0821 -0.0242 578 ARG 73 NH1 -0.0581 0.0877 -0.0148 579 ARG 73 NH2 -0.0566 0.0846 -0.0273 580 ASN 74 N -0.0266 0.0317 0.0019 581 ASN 74 CA -0.0232 0.0277 0.0024 582 ASN 74 C -0.0237 0.0264 -0.0018 583 ASN 74 O -0.0232 0.0262 -0.0010 584 ASN 74 CB -0.0218 0.0284 0.0075 585 ASN 74 CG -0.0184 0.0245 0.0085 586 ASN 74 OD1 -0.0166 0.0210 0.0060 587 ASN 74 ND2 -0.0175 0.0250 0.0122 588 LEU 75 N -0.0189 0.0216 -0.0062 589 LEU 75 CA -0.0196 0.0208 -0.0115 590 LEU 75 C -0.0167 0.0160 -0.0116 591 LEU 75 O -0.0175 0.0163 -0.0143 592 LEU 75 CB -0.0211 0.0206 -0.0180 593 LEU 75 CG -0.0247 0.0260 -0.0192 594 LEU 75 CD1 -0.0258 0.0252 -0.0257 595 LEU 75 CD2 -0.0277 0.0309 -0.0188 596 CYS 76 N -0.0125 0.0107 -0.0091 597 CYS 76 CA -0.0097 0.0081 -0.0102 598 CYS 76 C -0.0103 0.0086 -0.0059 599 CYS 76 O -0.0082 0.0068 -0.0063 600 CYS 76 CB -0.0051 0.0039 -0.0103 601 CYS 76 SG -0.0039 0.0029 -0.0167 602 ASN 77 N -0.0139 0.0142 -0.0047 603 ASN 77 CA -0.0147 0.0151 -0.0011 604 ASN 77 C -0.0118 0.0123 0.0016 605 ASN 77 O -0.0113 0.0118 0.0023 606 ASN 77 CB -0.0166 0.0168 -0.0031 607 ASN 77 CG -0.0200 0.0201 -0.0011 608 ASN 77 OD1 -0.0203 0.0204 0.0030 609 ASN 77 ND2 -0.0225 0.0225 -0.0039 610 ILE 78 N -0.0127 0.0116 -0.0008 611 ILE 78 CA -0.0088 0.0084 0.0023 612 ILE 78 C -0.0078 0.0079 0.0066 613 ILE 78 O -0.0092 0.0091 0.0061 614 ILE 78 CB -0.0051 0.0048 -0.0014 615 ILE 78 CG1 -0.0049 0.0044 -0.0047 616 ILE 78 CG2 -0.0051 0.0045 -0.0050 617 ILE 78 CD1 -0.0012 0.0007 -0.0080 618 PRO 79 N -0.0090 0.0091 0.0060 619 PRO 79 CA -0.0078 0.0087 0.0102 620 PRO 79 C -0.0047 0.0057 0.0078 621 PRO 79 O -0.0023 0.0033 0.0049 622 PRO 79 CB -0.0056 0.0075 0.0145 623 PRO 79 CG -0.0074 0.0088 0.0133 624 PRO 79 CD -0.0076 0.0081 0.0075 625 CYS 80 N -0.0054 0.0016 0.0086 626 CYS 80 CA -0.0012 -0.0003 0.0073 627 CYS 80 C 0.0031 -0.0025 0.0081 628 CYS 80 O 0.0066 -0.0038 0.0054 629 CYS 80 CB -0.0011 -0.0007 0.0101 630 CYS 80 SG -0.0058 0.0017 0.0090 631 SER 81 N -0.0004 -0.0002 0.0084 632 SER 81 CA 0.0047 -0.0018 0.0091 633 SER 81 C 0.0069 -0.0018 0.0032 634 SER 81 O 0.0121 -0.0033 0.0024 635 SER 81 CB 0.0036 -0.0020 0.0138 636 SER 81 OG -0.0011 -0.0004 0.0123 637 ALA 82 N 0.0076 -0.0018 0.0005 638 ALA 82 CA 0.0088 -0.0032 -0.0034 639 ALA 82 C 0.0111 -0.0057 -0.0080 640 ALA 82 O 0.0135 -0.0081 -0.0106 641 ALA 82 CB 0.0050 -0.0000 -0.0057 642 LEU 83 N 0.0109 -0.0050 -0.0090 643 LEU 83 CA 0.0115 -0.0055 -0.0101 644 LEU 83 C 0.0136 -0.0060 -0.0092 645 LEU 83 O 0.0144 -0.0065 -0.0101 646 LEU 83 CB 0.0098 -0.0049 -0.0098 647 LEU 83 CG 0.0075 -0.0044 -0.0107 648 LEU 83 CD1 0.0061 -0.0038 -0.0101 649 LEU 83 CD2 0.0074 -0.0050 -0.0132 650 LEU 84 N 0.0111 -0.0061 -0.0116 651 LEU 84 CA 0.0134 -0.0052 -0.0106 652 LEU 84 C 0.0143 -0.0037 -0.0129 653 LEU 84 O 0.0162 -0.0029 -0.0124 654 LEU 84 CB 0.0129 -0.0063 -0.0086 655 LEU 84 CG 0.0120 -0.0079 -0.0063 656 LEU 84 CD1 0.0116 -0.0088 -0.0046 657 LEU 84 CD2 0.0138 -0.0075 -0.0047 658 SER 85 N 0.0167 -0.0015 -0.0153 659 SER 85 CA 0.0186 -0.0020 -0.0171 660 SER 85 C 0.0195 -0.0020 -0.0177 661 SER 85 O 0.0182 -0.0023 -0.0173 662 SER 85 CB 0.0179 -0.0037 -0.0189 663 SER 85 OG 0.0197 -0.0043 -0.0207 664 SER 86 N 0.0178 0.0016 -0.0236 665 SER 86 CA 0.0181 0.0031 -0.0231 666 SER 86 C 0.0176 0.0011 -0.0233 667 SER 86 O 0.0173 0.0018 -0.0223 668 SER 86 CB 0.0195 0.0054 -0.0249 669 SER 86 OG 0.0204 0.0042 -0.0276 670 ASP 87 N 0.0202 -0.0002 -0.0238 671 ASP 87 CA 0.0197 -0.0024 -0.0240 672 ASP 87 C 0.0182 -0.0037 -0.0220 673 ASP 87 O 0.0179 -0.0045 -0.0219 674 ASP 87 CB 0.0206 -0.0041 -0.0262 675 ASP 87 CG 0.0202 -0.0065 -0.0264 676 ASP 87 OD1 0.0192 -0.0070 -0.0249 677 ASP 87 OD2 0.0209 -0.0080 -0.0282 678 ILE 88 N 0.0164 -0.0039 -0.0212 679 ILE 88 CA 0.0153 -0.0047 -0.0198 680 ILE 88 C 0.0157 -0.0073 -0.0194 681 ILE 88 O 0.0149 -0.0081 -0.0182 682 ILE 88 CB 0.0135 -0.0040 -0.0180 683 ILE 88 CG1 0.0132 -0.0053 -0.0173 684 ILE 88 CG2 0.0130 -0.0014 -0.0183 685 ILE 88 CD1 0.0115 -0.0050 -0.0154 686 THR 89 N 0.0170 -0.0079 -0.0207 687 THR 89 CA 0.0170 -0.0106 -0.0207 688 THR 89 C 0.0163 -0.0106 -0.0202 689 THR 89 O 0.0146 -0.0120 -0.0192 690 THR 89 CB 0.0195 -0.0120 -0.0222 691 THR 89 OG1 0.0201 -0.0122 -0.0225 692 THR 89 CG2 0.0194 -0.0149 -0.0221 693 ALA 90 N 0.0143 -0.0084 -0.0202 694 ALA 90 CA 0.0123 -0.0083 -0.0188 695 ALA 90 C 0.0115 -0.0081 -0.0177 696 ALA 90 O 0.0095 -0.0084 -0.0176 697 ALA 90 CB 0.0126 -0.0077 -0.0170 698 SER 91 N 0.0122 -0.0074 -0.0177 699 SER 91 CA 0.0115 -0.0071 -0.0167 700 SER 91 C 0.0108 -0.0079 -0.0171 701 SER 91 O 0.0097 -0.0082 -0.0165 702 SER 91 CB 0.0123 -0.0061 -0.0161 703 SER 91 OG 0.0127 -0.0054 -0.0154 704 VAL 92 N 0.0121 -0.0087 -0.0155 705 VAL 92 CA 0.0112 -0.0101 -0.0147 706 VAL 92 C 0.0114 -0.0116 -0.0147 707 VAL 92 O 0.0103 -0.0122 -0.0139 708 VAL 92 CB 0.0116 -0.0107 -0.0150 709 VAL 92 CG1 0.0109 -0.0123 -0.0143 710 VAL 92 CG2 0.0112 -0.0092 -0.0148 711 ASN 93 N 0.0099 -0.0118 -0.0173 712 ASN 93 CA 0.0092 -0.0127 -0.0176 713 ASN 93 C 0.0069 -0.0107 -0.0170 714 ASN 93 O 0.0049 -0.0116 -0.0173 715 ASN 93 CB 0.0119 -0.0128 -0.0176 716 ASN 93 CG 0.0139 -0.0153 -0.0183 717 ASN 93 OD1 0.0130 -0.0173 -0.0189 718 ASN 93 ND2 0.0166 -0.0153 -0.0182 719 CYS 94 N 0.0050 -0.0078 -0.0178 720 CYS 94 CA 0.0036 -0.0063 -0.0173 721 CYS 94 C 0.0018 -0.0064 -0.0178 722 CYS 94 O 0.0001 -0.0061 -0.0179 723 CYS 94 CB 0.0045 -0.0045 -0.0163 724 CYS 94 SG 0.0029 -0.0025 -0.0157 725 ALA 95 N 0.0053 -0.0087 -0.0149 726 ALA 95 CA 0.0057 -0.0085 -0.0144 727 ALA 95 C 0.0050 -0.0089 -0.0152 728 ALA 95 O 0.0045 -0.0090 -0.0146 729 ALA 95 CB 0.0072 -0.0078 -0.0146 730 LYS 96 N 0.0057 -0.0097 -0.0123 731 LYS 96 CA 0.0054 -0.0110 -0.0118 732 LYS 96 C 0.0059 -0.0099 -0.0122 733 LYS 96 O 0.0048 -0.0102 -0.0124 734 LYS 96 CB 0.0068 -0.0126 -0.0105 735 LYS 96 CG 0.0062 -0.0142 -0.0100 736 LYS 96 CD 0.0076 -0.0157 -0.0088 737 LYS 96 CE 0.0068 -0.0174 -0.0083 738 LYS 96 NZ 0.0083 -0.0188 -0.0071 739 LYS 97 N 0.0029 -0.0055 -0.0188 740 LYS 97 CA -0.0015 -0.0052 -0.0176 741 LYS 97 C -0.0005 -0.0060 -0.0151 742 LYS 97 O -0.0026 -0.0054 -0.0160 743 LYS 97 CB -0.0047 -0.0055 -0.0148 744 LYS 97 CG -0.0097 -0.0049 -0.0143 745 LYS 97 CD -0.0130 -0.0050 -0.0122 746 LYS 97 CE -0.0143 -0.0039 -0.0155 747 LYS 97 NZ -0.0103 -0.0041 -0.0169 748 ILE 98 N -0.0002 -0.0064 -0.0155 749 ILE 98 CA 0.0004 -0.0068 -0.0141 750 ILE 98 C 0.0011 -0.0061 -0.0119 751 ILE 98 O 0.0019 -0.0073 -0.0105 752 ILE 98 CB -0.0001 -0.0056 -0.0148 753 ILE 98 CG1 -0.0007 -0.0065 -0.0170 754 ILE 98 CG2 0.0005 -0.0059 -0.0133 755 ILE 98 CD1 -0.0013 -0.0054 -0.0178 756 VAL 99 N 0.0064 -0.0089 -0.0076 757 VAL 99 CA 0.0071 -0.0084 -0.0071 758 VAL 99 C 0.0074 -0.0082 -0.0069 759 VAL 99 O 0.0081 -0.0080 -0.0065 760 VAL 99 CB 0.0069 -0.0075 -0.0071 761 VAL 99 CG1 0.0064 -0.0069 -0.0072 762 VAL 99 CG2 0.0076 -0.0072 -0.0066 763 SER 100 N 0.0035 -0.0078 -0.0082 764 SER 100 CA 0.0032 -0.0079 -0.0084 765 SER 100 C 0.0026 -0.0052 -0.0091 766 SER 100 O 0.0020 -0.0049 -0.0095 767 SER 100 CB 0.0052 -0.0088 -0.0068 768 SER 100 OG 0.0058 -0.0114 -0.0062 769 ASP 101 N -0.0033 -0.0048 -0.0108 770 ASP 101 CA -0.0056 -0.0052 -0.0088 771 ASP 101 C -0.0062 -0.0052 -0.0088 772 ASP 101 O -0.0085 -0.0054 -0.0079 773 ASP 101 CB -0.0048 -0.0056 -0.0057 774 ASP 101 CG -0.0074 -0.0060 -0.0037 775 ASP 101 OD1 -0.0096 -0.0059 -0.0044 776 ASP 101 OD2 -0.0073 -0.0063 -0.0014 777 GLY 102 N 0.0033 -0.0053 -0.0097 778 GLY 102 CA 0.0078 -0.0053 -0.0089 779 GLY 102 C 0.0154 -0.0070 -0.0063 780 GLY 102 O 0.0206 -0.0045 -0.0074 781 ASN 103 N 0.0184 -0.0118 -0.0040 782 ASN 103 CA 0.0219 -0.0139 -0.0036 783 ASN 103 C 0.0216 -0.0115 -0.0038 784 ASN 103 O 0.0242 -0.0129 -0.0036 785 ASN 103 CB 0.0211 -0.0194 -0.0032 786 ASN 103 CG 0.0221 -0.0221 -0.0030 787 ASN 103 OD1 0.0262 -0.0236 -0.0026 788 ASN 103 ND2 0.0182 -0.0226 -0.0031 789 GLY 104 N 0.0184 -0.0092 -0.0042 790 GLY 104 CA 0.0178 -0.0091 -0.0039 791 GLY 104 C 0.0170 -0.0101 -0.0041 792 GLY 104 O 0.0167 -0.0107 -0.0042 793 MET 105 N 0.0183 -0.0085 -0.0014 794 MET 105 CA 0.0166 -0.0095 -0.0024 795 MET 105 C 0.0175 -0.0112 -0.0037 796 MET 105 O 0.0163 -0.0122 -0.0046 797 MET 105 CB 0.0153 -0.0085 -0.0017 798 MET 105 CG 0.0138 -0.0072 -0.0008 799 MET 105 SD 0.0118 -0.0064 -0.0004 800 MET 105 CE 0.0101 -0.0081 -0.0020 801 ASN 106 N 0.0224 -0.0131 -0.0021 802 ASN 106 CA 0.0237 -0.0152 -0.0026 803 ASN 106 C 0.0226 -0.0175 -0.0050 804 ASN 106 O 0.0230 -0.0192 -0.0059 805 ASN 106 CB 0.0266 -0.0162 -0.0011 806 ASN 106 CG 0.0278 -0.0143 0.0012 807 ASN 106 OD1 0.0275 -0.0134 0.0016 808 ASN 106 ND2 0.0291 -0.0135 0.0028 809 ALA 107 N 0.0186 -0.0134 -0.0073 810 ALA 107 CA 0.0174 -0.0153 -0.0092 811 ALA 107 C 0.0161 -0.0147 -0.0103 812 ALA 107 O 0.0155 -0.0164 -0.0116 813 ALA 107 CB 0.0160 -0.0151 -0.0105 814 TRP 108 N 0.0171 -0.0148 -0.0091 815 TRP 108 CA 0.0155 -0.0142 -0.0102 816 TRP 108 C 0.0170 -0.0143 -0.0090 817 TRP 108 O 0.0178 -0.0124 -0.0072 818 TRP 108 CB 0.0136 -0.0112 -0.0103 819 TRP 108 CG 0.0117 -0.0111 -0.0120 820 TRP 108 CD1 0.0097 -0.0119 -0.0142 821 TRP 108 CD2 0.0115 -0.0102 -0.0117 822 TRP 108 NE1 0.0083 -0.0115 -0.0153 823 TRP 108 CE2 0.0094 -0.0105 -0.0137 824 TRP 108 CE3 0.0130 -0.0092 -0.0098 825 TRP 108 CZ2 0.0087 -0.0097 -0.0140 826 TRP 108 CZ3 0.0123 -0.0084 -0.0100 827 TRP 108 CH2 0.0102 -0.0087 -0.0121 828 VAL 109 N 0.0173 -0.0161 -0.0126 829 VAL 109 CA 0.0184 -0.0170 -0.0131 830 VAL 109 C 0.0158 -0.0151 -0.0123 831 VAL 109 O 0.0172 -0.0144 -0.0107 832 VAL 109 CB 0.0185 -0.0201 -0.0166 833 VAL 109 CG1 0.0198 -0.0211 -0.0171 834 VAL 109 CG2 0.0213 -0.0221 -0.0175 835 ALA 110 N 0.0135 -0.0122 -0.0139 836 ALA 110 CA 0.0116 -0.0097 -0.0132 837 ALA 110 C 0.0113 -0.0091 -0.0103 838 ALA 110 O 0.0103 -0.0075 -0.0085 839 ALA 110 CB 0.0103 -0.0083 -0.0157 840 TRP 111 N 0.0121 -0.0093 -0.0081 841 TRP 111 CA 0.0122 -0.0082 -0.0050 842 TRP 111 C 0.0138 -0.0086 -0.0035 843 TRP 111 O 0.0130 -0.0075 -0.0017 844 TRP 111 CB 0.0134 -0.0085 -0.0039 845 TRP 111 CG 0.0136 -0.0075 -0.0008 846 TRP 111 CD1 0.0116 -0.0059 0.0007 847 TRP 111 CD2 0.0158 -0.0080 0.0013 848 TRP 111 NE1 0.0124 -0.0054 0.0036 849 TRP 111 CE2 0.0150 -0.0067 0.0040 850 TRP 111 CE3 0.0184 -0.0095 0.0012 851 TRP 111 CZ2 0.0168 -0.0067 0.0065 852 TRP 111 CZ3 0.0201 -0.0096 0.0037 853 TRP 111 CH2 0.0193 -0.0082 0.0063 854 ARG 112 N 0.0175 -0.0112 -0.0041 855 ARG 112 CA 0.0206 -0.0119 -0.0024 856 ARG 112 C 0.0200 -0.0116 -0.0025 857 ARG 112 O 0.0211 -0.0104 0.0000 858 ARG 112 CB 0.0233 -0.0149 -0.0039 859 ARG 112 CG 0.0270 -0.0157 -0.0018 860 ARG 112 CD 0.0294 -0.0188 -0.0037 861 ARG 112 NE 0.0289 -0.0202 -0.0061 862 ARG 112 CZ 0.0282 -0.0222 -0.0093 863 ARG 112 NH1 0.0280 -0.0231 -0.0106 864 ARG 112 NH2 0.0278 -0.0234 -0.0112 865 ASN 113 N 0.0183 -0.0121 -0.0054 866 ASN 113 CA 0.0168 -0.0117 -0.0062 867 ASN 113 C 0.0124 -0.0083 -0.0049 868 ASN 113 O 0.0118 -0.0075 -0.0041 869 ASN 113 CB 0.0164 -0.0142 -0.0113 870 ASN 113 CG 0.0210 -0.0177 -0.0126 871 ASN 113 OD1 0.0245 -0.0183 -0.0097 872 ASN 113 ND2 0.0210 -0.0201 -0.0168 873 ARG 114 N 0.0092 -0.0063 -0.0054 874 ARG 114 CA 0.0053 -0.0033 -0.0046 875 ARG 114 C 0.0042 -0.0020 -0.0010 876 ARG 114 O 0.0011 0.0005 0.0002 877 ARG 114 CB 0.0031 -0.0024 -0.0091 878 ARG 114 CG 0.0042 -0.0038 -0.0129 879 ARG 114 CD 0.0023 -0.0031 -0.0174 880 ARG 114 NE -0.0017 -0.0003 -0.0176 881 ARG 114 CZ -0.0040 0.0008 -0.0213 882 ARG 114 NH1 -0.0027 -0.0007 -0.0252 883 ARG 114 NH2 -0.0075 0.0035 -0.0212 884 CYS 115 N 0.0068 -0.0032 0.0000 885 CYS 115 CA 0.0060 -0.0021 0.0035 886 CYS 115 C 0.0083 -0.0027 0.0075 887 CYS 115 O 0.0070 -0.0013 0.0108 888 CYS 115 CB 0.0067 -0.0026 0.0026 889 CYS 115 SG 0.0039 -0.0019 -0.0019 890 LYS 116 N 0.0125 -0.0044 0.0073 891 LYS 116 CA 0.0158 -0.0045 0.0105 892 LYS 116 C 0.0154 -0.0034 0.0127 893 LYS 116 O 0.0148 -0.0039 0.0108 894 LYS 116 CB 0.0198 -0.0069 0.0088 895 LYS 116 CG 0.0235 -0.0072 0.0119 896 LYS 116 CD 0.0273 -0.0097 0.0099 897 LYS 116 CE 0.0310 -0.0101 0.0130 898 LYS 116 NZ 0.0346 -0.0125 0.0111 899 GLY 117 N 0.0143 -0.0027 0.0205 900 GLY 117 CA 0.0136 -0.0012 0.0237 901 GLY 117 C 0.0076 0.0011 0.0236 902 GLY 117 O 0.0068 0.0021 0.0254 903 THR 118 N 0.0042 0.0007 0.0221 904 THR 118 CA -0.0025 0.0030 0.0218 905 THR 118 C -0.0049 0.0044 0.0271 906 THR 118 O -0.0012 0.0035 0.0303 907 THR 118 CB -0.0053 0.0032 0.0151 908 THR 118 OG1 -0.0044 0.0027 0.0142 909 THR 118 CG2 -0.0023 0.0015 0.0096 910 ASP 119 N -0.0185 0.0086 0.0317 911 ASP 119 CA -0.0211 0.0074 0.0401 912 ASP 119 C -0.0168 0.0078 0.0312 913 ASP 119 O -0.0243 0.0138 0.0257 914 ASP 119 CB -0.0351 0.0135 0.0456 915 ASP 119 CG -0.0381 0.0122 0.0549 916 ASP 119 OD1 -0.0298 0.0055 0.0612 917 ASP 119 OD2 -0.0489 0.0180 0.0559 918 VAL 120 N -0.0073 0.0056 0.0267 919 VAL 120 CA -0.0064 0.0052 0.0228 920 VAL 120 C -0.0092 0.0069 0.0248 921 VAL 120 O -0.0097 0.0075 0.0212 922 VAL 120 CB -0.0006 0.0016 0.0219 923 VAL 120 CG1 0.0019 0.0002 0.0184 924 VAL 120 CG2 0.0017 -0.0004 0.0281 925 GLN 121 N -0.0129 0.0073 0.0325 926 GLN 121 CA -0.0167 0.0070 0.0380 927 GLN 121 C -0.0246 0.0113 0.0329 928 GLN 121 O -0.0264 0.0116 0.0341 929 GLN 121 CB -0.0201 0.0051 0.0482 930 GLN 121 CG -0.0254 0.0051 0.0545 931 GLN 121 CD -0.0360 0.0091 0.0534 932 GLN 121 OE1 -0.0399 0.0115 0.0501 933 GLN 121 NE2 -0.0407 0.0099 0.0562 934 ALA 122 N -0.0277 0.0125 0.0321 935 ALA 122 CA -0.0328 0.0163 0.0283 936 ALA 122 C -0.0310 0.0168 0.0223 937 ALA 122 O -0.0348 0.0195 0.0202 938 ALA 122 CB -0.0356 0.0186 0.0258 939 TRP 123 N -0.0185 0.0133 0.0159 940 TRP 123 CA -0.0187 0.0128 0.0119 941 TRP 123 C -0.0201 0.0137 0.0130 942 TRP 123 O -0.0212 0.0139 0.0098 943 TRP 123 CB -0.0146 0.0102 0.0095 944 TRP 123 CG -0.0140 0.0095 0.0070 945 TRP 123 CD1 -0.0115 0.0082 0.0084 946 TRP 123 CD2 -0.0161 0.0101 0.0027 947 TRP 123 NE1 -0.0119 0.0081 0.0053 948 TRP 123 CE2 -0.0148 0.0092 0.0018 949 TRP 123 CE3 -0.0191 0.0113 -0.0005 950 TRP 123 CZ2 -0.0162 0.0095 -0.0022 951 TRP 123 CZ3 -0.0206 0.0116 -0.0044 952 TRP 123 CH2 -0.0192 0.0107 -0.0052 953 ILE 124 N -0.0229 0.0114 0.0183 954 ILE 124 CA -0.0229 0.0110 0.0199 955 ILE 124 C -0.0280 0.0129 0.0235 956 ILE 124 O -0.0284 0.0125 0.0257 957 ILE 124 CB -0.0182 0.0074 0.0232 958 ILE 124 CG1 -0.0185 0.0059 0.0288 959 ILE 124 CG2 -0.0131 0.0055 0.0193 960 ILE 124 CD1 -0.0143 0.0026 0.0324 961 ARG 125 N -0.0363 0.0145 0.0301 962 ARG 125 CA -0.0428 0.0168 0.0342 963 ARG 125 C -0.0451 0.0196 0.0307 964 ARG 125 O -0.0440 0.0214 0.0242 965 ARG 125 CB -0.0478 0.0200 0.0339 966 ARG 125 CG -0.0498 0.0239 0.0264 967 ARG 125 CD -0.0541 0.0269 0.0254 968 ARG 125 NE -0.0557 0.0306 0.0182 969 ARG 125 CZ -0.0521 0.0306 0.0124 970 ARG 125 NH1 -0.0465 0.0271 0.0129 971 ARG 125 NH2 -0.0538 0.0341 0.0060 972 GLY 126 N -0.0481 0.0188 0.0352 973 GLY 126 CA -0.0551 0.0215 0.0325 974 GLY 126 C -0.0503 0.0199 0.0300 975 GLY 126 O -0.0560 0.0220 0.0288 976 CYS 127 N -0.0385 0.0150 0.0255 977 CYS 127 CA -0.0329 0.0129 0.0223 978 CYS 127 C -0.0311 0.0086 0.0269 979 CYS 127 O -0.0315 0.0053 0.0325 980 CYS 127 CB -0.0274 0.0107 0.0192 981 CYS 127 SG -0.0287 0.0152 0.0139 982 ARG 128 N -0.0318 0.0053 0.0245 983 ARG 128 CA -0.0301 0.0026 0.0302 984 ARG 128 C -0.0279 0.0174 0.0353 985 ARG 128 O -0.0243 0.0223 0.0463 986 ARG 128 CB -0.0267 -0.0084 0.0423 987 ARG 128 CG -0.0250 -0.0136 0.0483 988 ARG 128 CD -0.0234 -0.0287 0.0548 989 ARG 128 NE -0.0205 -0.0297 0.0642 990 ARG 128 CZ -0.0204 -0.0414 0.0658 991 ARG 128 NH1 -0.0232 -0.0534 0.0585 992 ARG 128 NH2 -0.0176 -0.0412 0.0747 993 LEU 129 N -0.0270 0.0094 0.0322 994 LEU 129 CA -0.0203 0.0072 0.0322 995 LEU 129 C -0.0189 0.0076 0.0385 996 LEU 129 O -0.0232 0.0092 0.0396 997 LEU 129 CB -0.0150 0.0054 0.0321 998 LEU 129 CG -0.0135 0.0039 0.0252 999 LEU 129 CD1 -0.0155 0.0037 0.0191 1000 LEU 129 CD2 -0.0170 0.0050 0.0245 1001 LEU 129 OXT -0.0137 0.0065 0.0422