1 LYS 1 N -0.0056 0.0225 0.0097 2 LYS 1 CA -0.0053 0.0219 0.0094 3 LYS 1 C -0.0068 0.0203 0.0081 4 LYS 1 O -0.0072 0.0190 0.0073 5 LYS 1 CB -0.0028 0.0211 0.0093 6 LYS 1 CG -0.0020 0.0200 0.0087 7 LYS 1 CD 0.0006 0.0193 0.0086 8 LYS 1 CE 0.0014 0.0182 0.0080 9 LYS 1 NZ 0.0039 0.0178 0.0081 10 VAL 2 N -0.0062 0.0212 0.0079 11 VAL 2 CA -0.0072 0.0193 0.0072 12 VAL 2 C -0.0053 0.0180 0.0068 13 VAL 2 O -0.0043 0.0186 0.0070 14 VAL 2 CB -0.0090 0.0197 0.0073 15 VAL 2 CG1 -0.0100 0.0176 0.0066 16 VAL 2 CG2 -0.0108 0.0210 0.0078 17 PHE 3 N -0.0048 0.0161 0.0056 18 PHE 3 CA -0.0027 0.0145 0.0050 19 PHE 3 C -0.0028 0.0127 0.0050 20 PHE 3 O -0.0047 0.0117 0.0054 21 PHE 3 CB -0.0026 0.0131 0.0049 22 PHE 3 CG -0.0016 0.0145 0.0047 23 PHE 3 CD1 -0.0030 0.0161 0.0051 24 PHE 3 CD2 0.0007 0.0141 0.0042 25 PHE 3 CE1 -0.0021 0.0174 0.0050 26 PHE 3 CE2 0.0016 0.0154 0.0040 27 PHE 3 CZ 0.0002 0.0170 0.0044 28 GLU 4 N -0.0003 0.0111 0.0032 29 GLU 4 CA -0.0005 0.0078 0.0024 30 GLU 4 C -0.0001 0.0053 0.0016 31 GLU 4 O 0.0014 0.0063 0.0011 32 GLU 4 CB 0.0020 0.0075 0.0012 33 GLU 4 CG 0.0017 0.0099 0.0020 34 GLU 4 CD 0.0043 0.0101 0.0008 35 GLU 4 OE1 0.0048 0.0076 -0.0000 36 GLU 4 OE2 0.0059 0.0130 0.0008 37 ARG 5 N 0.0003 0.0024 0.0002 38 ARG 5 CA -0.0001 -0.0003 0.0002 39 ARG 5 C 0.0032 -0.0007 -0.0014 40 ARG 5 O 0.0032 -0.0002 -0.0014 41 ARG 5 CB -0.0013 -0.0042 0.0005 42 ARG 5 CG -0.0017 -0.0074 0.0005 43 ARG 5 CD -0.0031 -0.0109 0.0009 44 ARG 5 NE -0.0006 -0.0127 -0.0004 45 ARG 5 CZ 0.0016 -0.0152 -0.0016 46 ARG 5 NH1 0.0019 -0.0163 -0.0019 47 ARG 5 NH2 0.0037 -0.0167 -0.0027 48 CYS 6 N 0.0046 -0.0027 -0.0025 49 CYS 6 CA 0.0077 -0.0034 -0.0039 50 CYS 6 C 0.0093 0.0001 -0.0046 51 CYS 6 O 0.0109 -0.0001 -0.0053 52 CYS 6 CB 0.0105 -0.0057 -0.0050 53 CYS 6 SG 0.0091 -0.0105 -0.0044 54 GLU 7 N 0.0068 0.0032 -0.0032 55 GLU 7 CA 0.0083 0.0061 -0.0029 56 GLU 7 C 0.0076 0.0066 -0.0023 57 GLU 7 O 0.0095 0.0076 -0.0029 58 GLU 7 CB 0.0073 0.0086 -0.0015 59 GLU 7 CG 0.0087 0.0117 -0.0011 60 GLU 7 CD 0.0073 0.0141 0.0004 61 GLU 7 OE1 0.0048 0.0135 0.0013 62 GLU 7 OE2 0.0087 0.0167 0.0006 63 LEU 8 N 0.0045 0.0067 -0.0011 64 LEU 8 CA 0.0033 0.0072 -0.0005 65 LEU 8 C 0.0042 0.0051 -0.0012 66 LEU 8 O 0.0048 0.0060 -0.0014 67 LEU 8 CB 0.0003 0.0068 0.0010 68 LEU 8 CG -0.0012 0.0073 0.0018 69 LEU 8 CD1 -0.0005 0.0104 0.0019 70 LEU 8 CD2 -0.0041 0.0068 0.0032 71 ALA 9 N 0.0051 0.0013 -0.0024 72 ALA 9 CA 0.0061 -0.0009 -0.0031 73 ALA 9 C 0.0089 0.0003 -0.0048 74 ALA 9 O 0.0092 0.0005 -0.0050 75 ALA 9 CB 0.0063 -0.0045 -0.0034 76 ARG 10 N 0.0108 0.0007 -0.0055 77 ARG 10 CA 0.0136 0.0020 -0.0070 78 ARG 10 C 0.0130 0.0054 -0.0068 79 ARG 10 O 0.0144 0.0059 -0.0076 80 ARG 10 CB 0.0163 0.0025 -0.0084 81 ARG 10 CG 0.0177 -0.0010 -0.0090 82 ARG 10 CD 0.0206 -0.0001 -0.0106 83 ARG 10 NE 0.0198 0.0018 -0.0103 84 ARG 10 CZ 0.0188 0.0003 -0.0097 85 ARG 10 NH1 0.0187 -0.0032 -0.0094 86 ARG 10 NH2 0.0180 0.0023 -0.0093 87 THR 11 N 0.0092 0.0062 -0.0042 88 THR 11 CA 0.0089 0.0093 -0.0036 89 THR 11 C 0.0078 0.0087 -0.0030 90 THR 11 O 0.0089 0.0101 -0.0035 91 THR 11 CB 0.0069 0.0113 -0.0022 92 THR 11 OG1 0.0082 0.0119 -0.0029 93 THR 11 CG2 0.0065 0.0144 -0.0016 94 LEU 12 N 0.0061 0.0076 -0.0031 95 LEU 12 CA 0.0050 0.0070 -0.0024 96 LEU 12 C 0.0067 0.0058 -0.0035 97 LEU 12 O 0.0066 0.0064 -0.0034 98 LEU 12 CB 0.0029 0.0051 -0.0012 99 LEU 12 CG 0.0008 0.0064 0.0001 100 LEU 12 CD1 -0.0011 0.0043 0.0012 101 LEU 12 CD2 -0.0000 0.0089 0.0007 102 LYS 13 N 0.0091 0.0035 -0.0052 103 LYS 13 CA 0.0110 0.0022 -0.0066 104 LYS 13 C 0.0129 0.0047 -0.0076 105 LYS 13 O 0.0136 0.0049 -0.0081 106 LYS 13 CB 0.0123 -0.0003 -0.0078 107 LYS 13 CG 0.0142 -0.0018 -0.0093 108 LYS 13 CD 0.0144 -0.0051 -0.0097 109 LYS 13 CE 0.0160 -0.0066 -0.0110 110 LYS 13 NZ 0.0156 -0.0100 -0.0111 111 ARG 14 N 0.0132 0.0057 -0.0070 112 ARG 14 CA 0.0152 0.0086 -0.0082 113 ARG 14 C 0.0132 0.0110 -0.0074 114 ARG 14 O 0.0145 0.0123 -0.0082 115 ARG 14 CB 0.0173 0.0107 -0.0094 116 ARG 14 CB 0.0163 0.0113 -0.0090 117 ARG 14 CG 0.0202 0.0084 -0.0107 118 ARG 14 CG 0.0195 0.0098 -0.0105 119 ARG 14 CD 0.0224 0.0068 -0.0117 120 ARG 14 CD 0.0213 0.0130 -0.0116 121 ARG 14 NE 0.0256 0.0054 -0.0132 122 ARG 14 NE 0.0191 0.0150 -0.0107 123 ARG 14 CZ 0.0281 0.0074 -0.0146 124 ARG 14 CZ 0.0187 0.0140 -0.0104 125 ARG 14 NH1 0.0290 0.0072 -0.0150 126 ARG 14 NH1 0.0205 0.0112 -0.0111 127 ARG 14 NH2 0.0298 0.0096 -0.0156 128 ARG 14 NH2 0.0165 0.0159 -0.0095 129 LEU 15 N 0.0063 0.0092 -0.0064 130 LEU 15 CA 0.0053 0.0111 -0.0053 131 LEU 15 C 0.0046 0.0101 -0.0049 132 LEU 15 O 0.0037 0.0115 -0.0039 133 LEU 15 CB 0.0034 0.0121 -0.0035 134 LEU 15 CG 0.0039 0.0140 -0.0037 135 LEU 15 CD1 0.0020 0.0145 -0.0020 136 LEU 15 CD2 0.0050 0.0167 -0.0042 137 GLY 16 N 0.0073 0.0088 -0.0058 138 GLY 16 CA 0.0070 0.0080 -0.0056 139 GLY 16 C 0.0053 0.0068 -0.0044 140 GLY 16 O 0.0048 0.0065 -0.0040 141 MET 17 N 0.0047 0.0062 -0.0039 142 MET 17 CA 0.0025 0.0047 -0.0022 143 MET 17 C 0.0025 0.0015 -0.0027 144 MET 17 O 0.0007 0.0004 -0.0014 145 MET 17 CB 0.0009 0.0049 -0.0010 146 MET 17 CG 0.0005 0.0081 -0.0002 147 MET 17 SD -0.0015 0.0094 0.0016 148 MET 17 CE -0.0041 0.0093 0.0037 149 ASP 18 N 0.0053 0.0006 -0.0046 150 ASP 18 CA 0.0055 -0.0027 -0.0045 151 ASP 18 C 0.0052 -0.0030 -0.0042 152 ASP 18 O 0.0067 -0.0021 -0.0057 153 ASP 18 CB 0.0077 -0.0045 -0.0065 154 ASP 18 CG 0.0077 -0.0080 -0.0062 155 ASP 18 OD1 0.0058 -0.0095 -0.0044 156 ASP 18 OD2 0.0096 -0.0095 -0.0078 157 GLY 19 N 0.0033 -0.0035 -0.0036 158 GLY 19 CA 0.0028 -0.0037 -0.0031 159 GLY 19 C 0.0019 -0.0010 -0.0023 160 GLY 19 O 0.0016 -0.0009 -0.0021 161 TYR 20 N 0.0004 0.0018 -0.0011 162 TYR 20 CA -0.0006 0.0041 -0.0005 163 TYR 20 C -0.0024 0.0035 0.0014 164 TYR 20 O -0.0036 0.0025 0.0026 165 TYR 20 CB -0.0009 0.0061 -0.0004 166 TYR 20 CG -0.0015 0.0087 -0.0000 167 TYR 20 CD1 -0.0003 0.0103 -0.0014 168 TYR 20 CD2 -0.0034 0.0095 0.0017 169 TYR 20 CE1 -0.0009 0.0127 -0.0011 170 TYR 20 CE2 -0.0040 0.0118 0.0020 171 TYR 20 CZ -0.0027 0.0134 0.0006 172 TYR 20 OH -0.0033 0.0157 0.0010 173 ARG 21 N -0.0022 0.0057 0.0007 174 ARG 21 CA -0.0036 0.0053 0.0026 175 ARG 21 C -0.0040 0.0026 0.0032 176 ARG 21 O -0.0053 0.0018 0.0050 177 ARG 21 CB -0.0049 0.0070 0.0043 178 ARG 21 CG -0.0046 0.0099 0.0039 179 ARG 21 CD -0.0054 0.0107 0.0050 180 ARG 21 NE -0.0071 0.0105 0.0073 181 ARG 21 CZ -0.0081 0.0099 0.0086 182 ARG 21 NH1 -0.0077 0.0104 0.0081 183 ARG 21 NH2 -0.0094 0.0089 0.0104 184 GLY 22 N -0.0024 -0.0007 0.0013 185 GLY 22 CA -0.0028 -0.0044 0.0016 186 GLY 22 C -0.0036 -0.0065 0.0025 187 GLY 22 O -0.0041 -0.0096 0.0030 188 ILE 23 N -0.0028 -0.0042 0.0019 189 ILE 23 CA -0.0034 -0.0050 0.0025 190 ILE 23 C -0.0016 -0.0058 0.0008 191 ILE 23 O -0.0004 -0.0041 -0.0005 192 ILE 23 CB -0.0046 -0.0027 0.0035 193 ILE 23 CG1 -0.0063 -0.0018 0.0052 194 ILE 23 CG2 -0.0052 -0.0036 0.0042 195 ILE 23 CD1 -0.0072 0.0010 0.0059 196 SER 24 N -0.0016 -0.0096 0.0008 197 SER 24 CA 0.0003 -0.0106 -0.0009 198 SER 24 C 0.0001 -0.0089 -0.0006 199 SER 24 O -0.0019 -0.0078 0.0011 200 SER 24 CB 0.0000 -0.0143 -0.0008 201 SER 24 OG -0.0021 -0.0149 0.0010 202 LEU 25 N 0.0018 -0.0089 -0.0017 203 LEU 25 CA 0.0018 -0.0075 -0.0017 204 LEU 25 C 0.0002 -0.0086 -0.0006 205 LEU 25 O -0.0009 -0.0070 0.0002 206 LEU 25 CB 0.0041 -0.0076 -0.0032 207 LEU 25 CB 0.0041 -0.0075 -0.0033 208 LEU 25 CG 0.0058 -0.0055 -0.0043 209 LEU 25 CG 0.0047 -0.0059 -0.0035 210 LEU 25 CD1 0.0078 -0.0058 -0.0057 211 LEU 25 CD1 0.0042 -0.0030 -0.0031 212 LEU 25 CD2 0.0049 -0.0028 -0.0035 213 LEU 25 CD2 0.0070 -0.0062 -0.0052 214 ALA 26 N 0.0009 -0.0124 -0.0011 215 ALA 26 CA -0.0010 -0.0140 0.0002 216 ALA 26 C -0.0039 -0.0128 0.0023 217 ALA 26 O -0.0055 -0.0125 0.0034 218 ALA 26 CB -0.0010 -0.0178 -0.0001 219 ASN 27 N -0.0036 -0.0121 0.0025 220 ASN 27 CA -0.0064 -0.0109 0.0041 221 ASN 27 C -0.0067 -0.0073 0.0046 222 ASN 27 O -0.0090 -0.0064 0.0060 223 ASN 27 CB -0.0068 -0.0118 0.0043 224 ASN 27 CG -0.0082 -0.0152 0.0047 225 ASN 27 OD1 -0.0106 -0.0159 0.0060 226 ASN 27 ND2 -0.0066 -0.0172 0.0037 227 TRP 28 N -0.0050 -0.0045 0.0040 228 TRP 28 CA -0.0051 -0.0013 0.0040 229 TRP 28 C -0.0052 -0.0014 0.0040 230 TRP 28 O -0.0066 0.0005 0.0050 231 TRP 28 CB -0.0030 0.0006 0.0023 232 TRP 28 CG -0.0030 0.0016 0.0023 233 TRP 28 CD1 -0.0012 0.0007 0.0010 234 TRP 28 CD2 -0.0047 0.0038 0.0034 235 TRP 28 NE1 -0.0018 0.0021 0.0014 236 TRP 28 CE2 -0.0038 0.0041 0.0028 237 TRP 28 CE3 -0.0067 0.0056 0.0049 238 TRP 28 CZ2 -0.0051 0.0060 0.0037 239 TRP 28 CZ3 -0.0080 0.0075 0.0058 240 TRP 28 CH2 -0.0071 0.0078 0.0051 241 MET 29 N -0.0045 -0.0034 0.0025 242 MET 29 CA -0.0048 -0.0033 0.0027 243 MET 29 C -0.0072 -0.0039 0.0038 244 MET 29 O -0.0082 -0.0027 0.0045 245 MET 29 CB -0.0032 -0.0049 0.0016 246 MET 29 CG -0.0007 -0.0040 0.0005 247 MET 29 SD -0.0001 -0.0011 0.0005 248 MET 29 CE -0.0008 -0.0022 0.0007 249 CYS 30 N -0.0073 -0.0073 0.0041 250 CYS 30 CA -0.0105 -0.0084 0.0058 251 CYS 30 C -0.0132 -0.0053 0.0068 252 CYS 30 O -0.0151 -0.0043 0.0076 253 CYS 30 CB -0.0115 -0.0121 0.0066 254 CYS 30 SG -0.0152 -0.0141 0.0086 255 LEU 31 N -0.0102 -0.0016 0.0055 256 LEU 31 CA -0.0118 0.0013 0.0068 257 LEU 31 C -0.0117 0.0039 0.0071 258 LEU 31 O -0.0138 0.0051 0.0086 259 LEU 31 CB -0.0107 0.0027 0.0063 260 LEU 31 CG -0.0121 0.0058 0.0076 261 LEU 31 CD1 -0.0152 0.0050 0.0093 262 LEU 31 CD2 -0.0103 0.0075 0.0068 263 ALA 32 N -0.0107 0.0055 0.0050 264 ALA 32 CA -0.0103 0.0079 0.0047 265 ALA 32 C -0.0110 0.0077 0.0050 266 ALA 32 O -0.0120 0.0096 0.0052 267 ALA 32 CB -0.0076 0.0087 0.0038 268 LYS 33 N -0.0114 0.0036 0.0046 269 LYS 33 CA -0.0126 0.0022 0.0052 270 LYS 33 C -0.0159 0.0027 0.0074 271 LYS 33 O -0.0170 0.0040 0.0083 272 LYS 33 CB -0.0120 -0.0017 0.0044 273 LYS 33 CG -0.0126 -0.0028 0.0046 274 LYS 33 CD -0.0155 -0.0046 0.0063 275 LYS 33 CE -0.0163 -0.0052 0.0068 276 LYS 33 NZ -0.0137 -0.0055 0.0050 277 TRP 34 N -0.0165 0.0008 0.0076 278 TRP 34 CA -0.0201 0.0009 0.0099 279 TRP 34 C -0.0215 0.0048 0.0110 280 TRP 34 O -0.0243 0.0056 0.0129 281 TRP 34 CB -0.0217 -0.0025 0.0107 282 TRP 34 CG -0.0207 -0.0064 0.0099 283 TRP 34 CD1 -0.0185 -0.0090 0.0084 284 TRP 34 CD2 -0.0218 -0.0079 0.0106 285 TRP 34 NE1 -0.0182 -0.0120 0.0080 286 TRP 34 CE2 -0.0202 -0.0115 0.0094 287 TRP 34 CE3 -0.0241 -0.0066 0.0121 288 TRP 34 CZ2 -0.0207 -0.0138 0.0096 289 TRP 34 CZ3 -0.0246 -0.0090 0.0123 290 TRP 34 CH2 -0.0230 -0.0124 0.0111 291 GLU 35 N -0.0140 0.0116 0.0073 292 GLU 35 CA -0.0144 0.0125 0.0074 293 GLU 35 C -0.0143 0.0131 0.0072 294 GLU 35 O -0.0148 0.0136 0.0075 295 GLU 35 CB -0.0142 0.0130 0.0072 296 GLU 35 CG -0.0145 0.0127 0.0075 297 GLU 35 CD -0.0154 0.0129 0.0081 298 GLU 35 OE1 -0.0157 0.0133 0.0083 299 GLU 35 OE2 -0.0157 0.0125 0.0084 300 SER 36 N -0.0154 0.0131 0.0054 301 SER 36 CA -0.0149 0.0149 0.0056 302 SER 36 C -0.0142 0.0144 0.0052 303 SER 36 O -0.0139 0.0159 0.0053 304 SER 36 CB -0.0134 0.0163 0.0052 305 SER 36 OG -0.0116 0.0154 0.0043 306 GLY 37 N -0.0146 0.0113 0.0056 307 GLY 37 CA -0.0139 0.0111 0.0054 308 GLY 37 C -0.0120 0.0120 0.0051 309 GLY 37 O -0.0114 0.0126 0.0051 310 TYR 38 N -0.0122 0.0109 0.0060 311 TYR 38 CA -0.0094 0.0121 0.0051 312 TYR 38 C -0.0091 0.0154 0.0054 313 TYR 38 O -0.0068 0.0166 0.0047 314 TYR 38 CB -0.0072 0.0105 0.0042 315 TYR 38 CG -0.0073 0.0071 0.0039 316 TYR 38 CD1 -0.0076 0.0055 0.0039 317 TYR 38 CD2 -0.0068 0.0055 0.0036 318 TYR 38 CE1 -0.0077 0.0025 0.0036 319 TYR 38 CE2 -0.0068 0.0025 0.0032 320 TYR 38 CZ -0.0072 0.0009 0.0032 321 TYR 38 OH -0.0072 -0.0021 0.0029 322 ASN 39 N -0.0106 0.0167 0.0054 323 ASN 39 CA -0.0106 0.0182 0.0058 324 ASN 39 C -0.0105 0.0183 0.0058 325 ASN 39 O -0.0113 0.0179 0.0056 326 ASN 39 CB -0.0121 0.0188 0.0058 327 ASN 39 CG -0.0123 0.0203 0.0061 328 ASN 39 OD1 -0.0113 0.0210 0.0065 329 ASN 39 ND2 -0.0136 0.0208 0.0061 330 THR 40 N -0.0094 0.0178 0.0064 331 THR 40 CA -0.0089 0.0172 0.0065 332 THR 40 C -0.0094 0.0177 0.0063 333 THR 40 O -0.0092 0.0171 0.0062 334 THR 40 CB -0.0079 0.0172 0.0075 335 THR 40 OG1 -0.0078 0.0183 0.0082 336 THR 40 CG2 -0.0073 0.0167 0.0077 337 ARG 41 N -0.0101 0.0180 0.0065 338 ARG 41 CA -0.0102 0.0180 0.0065 339 ARG 41 C -0.0105 0.0180 0.0052 340 ARG 41 O -0.0105 0.0180 0.0051 341 ARG 41 CB -0.0108 0.0190 0.0073 342 ARG 41 CB -0.0107 0.0189 0.0074 343 ARG 41 CG -0.0106 0.0190 0.0080 344 ARG 41 CG -0.0116 0.0197 0.0068 345 ARG 41 CD -0.0114 0.0199 0.0087 346 ARG 41 CD -0.0117 0.0196 0.0063 347 ARG 41 NE -0.0117 0.0202 0.0083 348 ARG 41 NE -0.0122 0.0198 0.0051 349 ARG 41 CZ -0.0113 0.0198 0.0086 350 ARG 41 CZ -0.0120 0.0194 0.0042 351 ARG 41 NH1 -0.0107 0.0195 0.0097 352 ARG 41 NH1 -0.0114 0.0188 0.0046 353 ARG 41 NH2 -0.0114 0.0197 0.0078 354 ARG 41 NH2 -0.0124 0.0195 0.0031 355 ALA 42 N -0.0119 0.0184 0.0054 356 ALA 42 CA -0.0121 0.0186 0.0036 357 ALA 42 C -0.0115 0.0173 0.0027 358 ALA 42 O -0.0109 0.0160 0.0030 359 ALA 42 CB -0.0123 0.0190 0.0029 360 THR 43 N -0.0090 0.0165 -0.0003 361 THR 43 CA -0.0064 0.0145 -0.0020 362 THR 43 C -0.0049 0.0162 -0.0048 363 THR 43 O -0.0056 0.0178 -0.0051 364 THR 43 CB -0.0054 0.0113 -0.0009 365 THR 43 OG1 -0.0059 0.0119 -0.0007 366 THR 43 CG2 -0.0068 0.0094 0.0020 367 ASN 44 N 0.0000 0.0153 -0.0085 368 ASN 44 CA 0.0050 0.0186 -0.0136 369 ASN 44 C 0.0117 0.0142 -0.0162 370 ASN 44 O 0.0131 0.0134 -0.0168 371 ASN 44 CB 0.0039 0.0264 -0.0166 372 ASN 44 CG 0.0089 0.0301 -0.0220 373 ASN 44 OD1 0.0101 0.0303 -0.0230 374 ASN 44 ND2 0.0119 0.0330 -0.0255 375 TYR 45 N 0.0206 0.0096 -0.0195 376 TYR 45 CA 0.0297 0.0047 -0.0223 377 TYR 45 C 0.0381 0.0130 -0.0274 378 TYR 45 O 0.0401 0.0177 -0.0292 379 TYR 45 CB 0.0338 -0.0056 -0.0219 380 TYR 45 CG 0.0433 -0.0112 -0.0247 381 TYR 45 CD1 0.0433 -0.0151 -0.0239 382 TYR 45 CD2 0.0525 -0.0124 -0.0283 383 TYR 45 CE1 0.0522 -0.0200 -0.0266 384 TYR 45 CE2 0.0613 -0.0175 -0.0309 385 TYR 45 CZ 0.0611 -0.0213 -0.0300 386 TYR 45 OH 0.0700 -0.0263 -0.0327 387 ASN 46 N 0.0431 0.0121 -0.0284 388 ASN 46 CA 0.0507 0.0187 -0.0333 389 ASN 46 C 0.0598 0.0118 -0.0365 390 ASN 46 O 0.0622 0.0068 -0.0366 391 ASN 46 CB 0.0489 0.0240 -0.0335 392 ASN 46 CG 0.0398 0.0306 -0.0304 393 ASN 46 OD1 0.0384 0.0379 -0.0311 394 ASN 46 ND2 0.0330 0.0278 -0.0265 395 ALA 47 N 0.0685 0.0132 -0.0395 396 ALA 47 CA 0.0790 0.0050 -0.0431 397 ALA 47 C 0.0875 0.0087 -0.0471 398 ALA 47 O 0.0942 0.0006 -0.0491 399 ALA 47 CB 0.0844 0.0062 -0.0456 400 GLY 48 N 0.0879 0.0202 -0.0489 401 GLY 48 CA 0.0967 0.0245 -0.0531 402 GLY 48 C 0.0958 0.0193 -0.0519 403 GLY 48 O 0.1048 0.0158 -0.0551 404 ASP 49 N 0.0815 0.0168 -0.0451 405 ASP 49 CA 0.0797 0.0127 -0.0440 406 ASP 49 C 0.0739 0.0030 -0.0407 407 ASP 49 O 0.0716 -0.0010 -0.0393 408 ASP 49 CB 0.0755 0.0214 -0.0427 409 ASP 49 CG 0.0652 0.0241 -0.0381 410 ASP 49 OD1 0.0608 0.0200 -0.0358 411 ASP 49 OD2 0.0609 0.0298 -0.0365 412 ARG 50 N 0.0720 0.0019 -0.0399 413 ARG 50 CA 0.0664 -0.0099 -0.0362 414 ARG 50 C 0.0539 -0.0095 -0.0315 415 ARG 50 O 0.0489 -0.0194 -0.0282 416 ARG 50 CB 0.0741 -0.0202 -0.0378 417 ARG 50 CG 0.0849 -0.0242 -0.0413 418 ARG 50 CD 0.0930 -0.0337 -0.0431 419 ARG 50 NE 0.1043 -0.0283 -0.0482 420 ARG 50 CZ 0.1140 -0.0344 -0.0511 421 ARG 50 NH1 0.1166 -0.0459 -0.0505 422 ARG 50 NH2 0.1214 -0.0287 -0.0547 423 SER 51 N 0.0485 -0.0019 -0.0292 424 SER 51 CA 0.0393 -0.0010 -0.0247 425 SER 51 C 0.0341 0.0014 -0.0224 426 SER 51 O 0.0372 0.0042 -0.0242 427 SER 51 CB 0.0382 0.0072 -0.0249 428 SER 51 OG 0.0390 0.0161 -0.0262 429 THR 52 N 0.0242 0.0000 -0.0187 430 THR 52 CA 0.0193 0.0028 -0.0157 431 THR 52 C 0.0129 0.0083 -0.0121 432 THR 52 O 0.0104 0.0063 -0.0103 433 THR 52 CB 0.0164 -0.0052 -0.0131 434 THR 52 OG1 0.0226 -0.0102 -0.0167 435 THR 52 CG2 0.0112 -0.0031 -0.0100 436 ASP 53 N 0.0058 0.0117 -0.0098 437 ASP 53 CA 0.0015 0.0152 -0.0074 438 ASP 53 C -0.0028 0.0133 -0.0041 439 ASP 53 O -0.0026 0.0127 -0.0042 440 ASP 53 CB 0.0022 0.0216 -0.0087 441 ASP 53 CG 0.0066 0.0236 -0.0120 442 ASP 53 OD1 0.0073 0.0224 -0.0123 443 ASP 53 OD2 0.0093 0.0265 -0.0143 444 TYR 54 N -0.0026 0.0134 -0.0037 445 TYR 54 CA -0.0059 0.0118 -0.0001 446 TYR 54 C -0.0095 0.0152 0.0029 447 TYR 54 O -0.0104 0.0163 0.0036 448 TYR 54 CB -0.0063 0.0062 0.0014 449 TYR 54 CG -0.0033 0.0021 -0.0008 450 TYR 54 CD1 -0.0001 0.0006 -0.0038 451 TYR 54 CD2 -0.0039 -0.0007 0.0003 452 TYR 54 CE1 0.0025 -0.0033 -0.0058 453 TYR 54 CE2 -0.0012 -0.0045 -0.0018 454 TYR 54 CZ 0.0019 -0.0059 -0.0047 455 TYR 54 OH 0.0046 -0.0099 -0.0066 456 GLY 55 N -0.0097 0.0153 0.0036 457 GLY 55 CA -0.0105 0.0161 0.0053 458 GLY 55 C -0.0106 0.0179 0.0054 459 GLY 55 O -0.0101 0.0189 0.0041 460 ILE 56 N -0.0098 0.0182 0.0055 461 ILE 56 CA -0.0096 0.0173 0.0054 462 ILE 56 C -0.0101 0.0163 0.0055 463 ILE 56 O -0.0103 0.0156 0.0055 464 ILE 56 CB -0.0085 0.0171 0.0051 465 ILE 56 CG1 -0.0082 0.0163 0.0049 466 ILE 56 CG2 -0.0080 0.0170 0.0049 467 ILE 56 CD1 -0.0071 0.0164 0.0046 468 PHE 57 N -0.0092 0.0182 0.0053 469 PHE 57 CA -0.0097 0.0173 0.0051 470 PHE 57 C -0.0108 0.0174 0.0051 471 PHE 57 O -0.0112 0.0167 0.0049 472 PHE 57 CB -0.0090 0.0167 0.0050 473 PHE 57 CG -0.0079 0.0164 0.0050 474 PHE 57 CD1 -0.0078 0.0157 0.0049 475 PHE 57 CD2 -0.0070 0.0167 0.0051 476 PHE 57 CE1 -0.0068 0.0154 0.0049 477 PHE 57 CE2 -0.0060 0.0164 0.0051 478 PHE 57 CZ -0.0059 0.0158 0.0050 479 GLN 58 N -0.0115 0.0217 0.0038 480 GLN 58 CA -0.0102 0.0212 0.0025 481 GLN 58 C -0.0096 0.0203 0.0020 482 GLN 58 O -0.0087 0.0208 0.0009 483 GLN 58 CB -0.0097 0.0227 0.0016 484 GLN 58 CG -0.0101 0.0234 0.0019 485 GLN 58 CD -0.0096 0.0221 0.0017 486 GLN 58 OE1 -0.0086 0.0221 0.0005 487 GLN 58 NE2 -0.0103 0.0209 0.0026 488 ILE 59 N -0.0066 0.0196 0.0020 489 ILE 59 CA -0.0058 0.0179 0.0014 490 ILE 59 C -0.0042 0.0161 0.0001 491 ILE 59 O -0.0043 0.0149 0.0005 492 ILE 59 CB -0.0071 0.0165 0.0034 493 ILE 59 CG1 -0.0084 0.0186 0.0045 494 ILE 59 CG2 -0.0062 0.0144 0.0030 495 ILE 59 CD1 -0.0100 0.0177 0.0066 496 ASN 60 N 0.0009 0.0216 -0.0034 497 ASN 60 CA 0.0076 0.0171 -0.0068 498 ASN 60 C 0.0080 0.0095 -0.0063 499 ASN 60 O 0.0054 0.0089 -0.0048 500 ASN 60 CB 0.0133 0.0228 -0.0105 501 ASN 60 CG 0.0206 0.0194 -0.0143 502 ASN 60 OD1 0.0240 0.0163 -0.0159 503 ASN 60 ND2 0.0230 0.0195 -0.0156 504 SER 61 N 0.0129 0.0064 -0.0105 505 SER 61 CA 0.0129 -0.0004 -0.0106 506 SER 61 C 0.0173 -0.0012 -0.0130 507 SER 61 O 0.0172 -0.0068 -0.0130 508 SER 61 CB 0.0146 -0.0062 -0.0116 509 SER 61 OG 0.0209 -0.0050 -0.0149 510 ARG 62 N 0.0215 0.0038 -0.0146 511 ARG 62 CA 0.0258 0.0028 -0.0169 512 ARG 62 C 0.0201 0.0047 -0.0138 513 ARG 62 O 0.0203 0.0003 -0.0143 514 ARG 62 CB 0.0335 0.0091 -0.0203 515 ARG 62 CG 0.0378 0.0084 -0.0226 516 ARG 62 CD 0.0468 0.0108 -0.0271 517 ARG 62 NE 0.0513 0.0025 -0.0303 518 ARG 62 CZ 0.0551 0.0021 -0.0323 519 ARG 62 NH1 0.0546 0.0095 -0.0313 520 ARG 62 NH2 0.0603 -0.0043 -0.0357 521 TYR 63 N 0.0171 0.0075 -0.0111 522 TYR 63 CA 0.0129 0.0097 -0.0086 523 TYR 63 C 0.0055 0.0078 -0.0049 524 TYR 63 O 0.0020 0.0070 -0.0032 525 TYR 63 CB 0.0138 0.0186 -0.0080 526 TYR 63 CG 0.0212 0.0211 -0.0116 527 TYR 63 CD1 0.0245 0.0198 -0.0135 528 TYR 63 CD2 0.0249 0.0245 -0.0131 529 TYR 63 CE1 0.0312 0.0219 -0.0168 530 TYR 63 CE2 0.0317 0.0266 -0.0165 531 TYR 63 CZ 0.0348 0.0253 -0.0183 532 TYR 63 OH 0.0415 0.0274 -0.0216 533 TRP 64 N 0.0001 0.0085 -0.0029 534 TRP 64 CA -0.0033 0.0085 0.0000 535 TRP 64 C -0.0051 0.0050 -0.0004 536 TRP 64 O -0.0084 0.0033 0.0015 537 TRP 64 CB -0.0028 0.0127 0.0019 538 TRP 64 CG -0.0012 0.0162 0.0024 539 TRP 64 CD1 0.0022 0.0188 0.0010 540 TRP 64 CD2 -0.0029 0.0172 0.0045 541 TRP 64 NE1 0.0027 0.0215 0.0021 542 TRP 64 CE2 -0.0003 0.0206 0.0042 543 TRP 64 CE3 -0.0062 0.0157 0.0066 544 TRP 64 CZ2 -0.0011 0.0225 0.0060 545 TRP 64 CZ3 -0.0070 0.0175 0.0083 546 TRP 64 CH2 -0.0044 0.0209 0.0079 547 CYS 65 N -0.0014 0.0011 -0.0020 548 CYS 65 CA -0.0035 -0.0038 -0.0009 549 CYS 65 C 0.0001 -0.0080 -0.0035 550 CYS 65 O 0.0041 -0.0067 -0.0060 551 CYS 65 CB -0.0058 -0.0027 0.0006 552 CYS 65 SG -0.0018 -0.0005 -0.0018 553 ASN 66 N -0.0011 -0.0128 -0.0050 554 ASN 66 CA 0.0026 -0.0182 -0.0080 555 ASN 66 C 0.0030 -0.0207 -0.0085 556 ASN 66 O -0.0013 -0.0227 -0.0058 557 ASN 66 CB 0.0006 -0.0241 -0.0072 558 ASN 66 CG 0.0046 -0.0297 -0.0104 559 ASN 66 OD1 0.0097 -0.0287 -0.0137 560 ASN 66 ND2 0.0021 -0.0357 -0.0093 561 ASP 67 N 0.0085 -0.0238 -0.0099 562 ASP 67 CA 0.0091 -0.0285 -0.0097 563 ASP 67 C 0.0137 -0.0345 -0.0108 564 ASP 67 O 0.0148 -0.0389 -0.0109 565 ASP 67 CB 0.0107 -0.0253 -0.0105 566 ASP 67 CG 0.0173 -0.0218 -0.0129 567 ASP 67 OD1 0.0214 -0.0227 -0.0142 568 ASP 67 OD2 0.0185 -0.0185 -0.0135 569 GLY 68 N 0.0170 -0.0395 -0.0140 570 GLY 68 CA 0.0229 -0.0469 -0.0152 571 GLY 68 C 0.0314 -0.0463 -0.0191 572 GLY 68 O 0.0373 -0.0510 -0.0208 573 LYS 69 N 0.0335 -0.0450 -0.0196 574 LYS 69 CA 0.0396 -0.0447 -0.0225 575 LYS 69 C 0.0431 -0.0382 -0.0252 576 LYS 69 O 0.0478 -0.0370 -0.0276 577 LYS 69 CB 0.0386 -0.0461 -0.0218 578 LYS 69 CG 0.0339 -0.0407 -0.0204 579 LYS 69 CD 0.0339 -0.0416 -0.0203 580 LYS 69 CE 0.0314 -0.0350 -0.0202 581 LYS 69 NZ 0.0253 -0.0363 -0.0171 582 THR 70 N 0.0368 -0.0330 -0.0240 583 THR 70 CA 0.0401 -0.0259 -0.0262 584 THR 70 C 0.0433 -0.0277 -0.0281 585 THR 70 O 0.0397 -0.0301 -0.0259 586 THR 70 CB 0.0346 -0.0195 -0.0228 587 THR 70 OG1 0.0314 -0.0180 -0.0209 588 THR 70 CG2 0.0380 -0.0118 -0.0251 589 PRO 71 N 0.0523 -0.0290 -0.0330 590 PRO 71 CA 0.0556 -0.0301 -0.0348 591 PRO 71 C 0.0523 -0.0225 -0.0324 592 PRO 71 O 0.0509 -0.0148 -0.0311 593 PRO 71 CB 0.0647 -0.0289 -0.0396 594 PRO 71 CG 0.0664 -0.0301 -0.0406 595 PRO 71 CD 0.0588 -0.0272 -0.0363 596 GLY 72 N 0.0512 -0.0257 -0.0327 597 GLY 72 CA 0.0481 -0.0193 -0.0300 598 GLY 72 C 0.0390 -0.0154 -0.0248 599 GLY 72 O 0.0371 -0.0073 -0.0225 600 ALA 73 N 0.0320 -0.0173 -0.0225 601 ALA 73 CA 0.0254 -0.0148 -0.0189 602 ALA 73 C 0.0205 -0.0145 -0.0165 603 ALA 73 O 0.0204 -0.0194 -0.0174 604 ALA 73 CB 0.0221 -0.0202 -0.0183 605 VAL 74 N 0.0153 -0.0081 -0.0136 606 VAL 74 CA 0.0108 -0.0073 -0.0108 607 VAL 74 C 0.0049 -0.0088 -0.0078 608 VAL 74 O 0.0007 -0.0107 -0.0060 609 VAL 74 CB 0.0117 -0.0004 -0.0093 610 VAL 74 CG1 0.0069 0.0011 -0.0061 611 VAL 74 CG2 0.0174 0.0005 -0.0123 612 ASN 75 N 0.0030 -0.0067 -0.0058 613 ASN 75 CA -0.0012 -0.0077 -0.0035 614 ASN 75 C -0.0046 -0.0053 -0.0008 615 ASN 75 O -0.0080 -0.0076 0.0006 616 ASN 75 CB -0.0027 -0.0131 -0.0040 617 ASN 75 CG -0.0062 -0.0141 -0.0022 618 ASN 75 OD1 -0.0073 -0.0107 -0.0007 619 ASN 75 ND2 -0.0080 -0.0186 -0.0023 620 ALA 76 N -0.0043 0.0017 0.0006 621 ALA 76 CA -0.0069 0.0041 0.0026 622 ALA 76 C -0.0101 0.0040 0.0040 623 ALA 76 O -0.0130 0.0048 0.0055 624 ALA 76 CB -0.0050 0.0080 0.0032 625 CYS 77 N -0.0095 0.0042 0.0035 626 CYS 77 CA -0.0122 0.0042 0.0057 627 CYS 77 C -0.0142 0.0003 0.0056 628 CYS 77 O -0.0167 -0.0001 0.0075 629 CYS 77 CB -0.0109 0.0063 0.0057 630 CYS 77 SG -0.0094 0.0113 0.0067 631 HIS 78 N -0.0141 -0.0056 0.0046 632 HIS 78 CA -0.0164 -0.0109 0.0045 633 HIS 78 C -0.0178 -0.0119 0.0051 634 HIS 78 O -0.0214 -0.0139 0.0071 635 HIS 78 CB -0.0199 -0.0123 0.0065 636 HIS 78 CG -0.0181 -0.0120 0.0054 637 HIS 78 ND1 -0.0180 -0.0079 0.0066 638 HIS 78 CD2 -0.0164 -0.0154 0.0030 639 HIS 78 CE1 -0.0163 -0.0087 0.0051 640 HIS 78 NE2 -0.0153 -0.0133 0.0029 641 LEU 79 N -0.0123 -0.0091 0.0026 642 LEU 79 CA -0.0121 -0.0090 0.0024 643 LEU 79 C -0.0093 -0.0098 -0.0004 644 LEU 79 O -0.0069 -0.0085 -0.0018 645 LEU 79 CB -0.0114 -0.0052 0.0042 646 LEU 79 CG -0.0134 -0.0038 0.0068 647 LEU 79 CD1 -0.0119 -0.0003 0.0077 648 LEU 79 CD2 -0.0158 -0.0059 0.0076 649 SER 80 N -0.0123 -0.0168 0.0035 650 SER 80 CA -0.0083 -0.0181 0.0004 651 SER 80 C -0.0066 -0.0118 0.0006 652 SER 80 O -0.0102 -0.0085 0.0038 653 SER 80 CB -0.0107 -0.0234 0.0010 654 SER 80 OG -0.0072 -0.0241 -0.0016 655 CYS 81 N -0.0078 -0.0118 0.0007 656 CYS 81 CA -0.0066 -0.0073 0.0006 657 CYS 81 C -0.0075 -0.0063 0.0023 658 CYS 81 O -0.0075 -0.0026 0.0036 659 CYS 81 CB -0.0034 -0.0061 -0.0032 660 CYS 81 SG -0.0020 -0.0064 -0.0053 661 SER 82 N -0.0055 -0.0057 -0.0000 662 SER 82 CA -0.0056 -0.0032 0.0027 663 SER 82 C -0.0058 -0.0024 0.0070 664 SER 82 O -0.0059 0.0008 0.0090 665 SER 82 CB -0.0056 -0.0051 0.0030 666 SER 82 CB -0.0057 -0.0057 0.0034 667 SER 82 OG -0.0058 -0.0088 0.0053 668 SER 82 OG -0.0058 -0.0037 0.0063 669 ALA 83 N -0.0065 -0.0003 0.0059 670 ALA 83 CA -0.0081 0.0010 0.0088 671 ALA 83 C -0.0078 0.0048 0.0090 672 ALA 83 O -0.0091 0.0063 0.0114 673 ALA 83 CB -0.0089 -0.0007 0.0098 674 LEU 84 N -0.0090 0.0065 0.0077 675 LEU 84 CA -0.0088 0.0088 0.0075 676 LEU 84 C -0.0085 0.0101 0.0073 677 LEU 84 O -0.0083 0.0121 0.0070 678 LEU 84 CB -0.0077 0.0091 0.0058 679 LEU 84 CG -0.0078 0.0080 0.0059 680 LEU 84 CD1 -0.0067 0.0082 0.0042 681 LEU 84 CD2 -0.0089 0.0085 0.0076 682 LEU 85 N -0.0077 0.0095 0.0081 683 LEU 85 CA -0.0078 0.0108 0.0081 684 LEU 85 C -0.0082 0.0111 0.0099 685 LEU 85 O -0.0083 0.0120 0.0101 686 LEU 85 CB -0.0075 0.0104 0.0069 687 LEU 85 CG -0.0070 0.0103 0.0051 688 LEU 85 CD1 -0.0067 0.0097 0.0040 689 LEU 85 CD2 -0.0070 0.0120 0.0044 690 GLN 86 N -0.0063 0.0112 0.0080 691 GLN 86 CA -0.0061 0.0116 0.0100 692 GLN 86 C -0.0061 0.0132 0.0108 693 GLN 86 O -0.0061 0.0135 0.0101 694 GLN 86 CB -0.0059 0.0099 0.0112 695 GLN 86 CG -0.0059 0.0083 0.0107 696 GLN 86 CD -0.0058 0.0066 0.0120 697 GLN 86 OE1 -0.0058 0.0055 0.0114 698 GLN 86 NE2 -0.0056 0.0066 0.0136 699 ASP 87 N -0.0034 0.0155 0.0097 700 ASP 87 CA -0.0034 0.0162 0.0101 701 ASP 87 C -0.0027 0.0150 0.0105 702 ASP 87 O -0.0029 0.0151 0.0102 703 ASP 87 CB -0.0032 0.0175 0.0115 704 ASP 87 CG -0.0040 0.0190 0.0112 705 ASP 87 OD1 -0.0049 0.0192 0.0099 706 ASP 87 OD2 -0.0039 0.0200 0.0123 707 ASN 88 N -0.0049 0.0133 0.0104 708 ASN 88 CA -0.0046 0.0126 0.0106 709 ASN 88 C -0.0050 0.0120 0.0103 710 ASN 88 O -0.0053 0.0120 0.0100 711 ASN 88 CB -0.0042 0.0126 0.0109 712 ASN 88 CG -0.0038 0.0119 0.0112 713 ASN 88 OD1 -0.0040 0.0113 0.0110 714 ASN 88 ND2 -0.0033 0.0121 0.0117 715 ILE 89 N -0.0042 0.0149 0.0073 716 ILE 89 CA -0.0040 0.0149 0.0067 717 ILE 89 C -0.0039 0.0144 0.0068 718 ILE 89 O -0.0038 0.0144 0.0064 719 ILE 89 CB -0.0041 0.0156 0.0064 720 ILE 89 CG1 -0.0043 0.0159 0.0069 721 ILE 89 CG2 -0.0041 0.0160 0.0063 722 ILE 89 CD1 -0.0043 0.0166 0.0066 723 ALA 90 N -0.0040 0.0141 0.0075 724 ALA 90 CA -0.0039 0.0136 0.0075 725 ALA 90 C -0.0054 0.0138 0.0079 726 ALA 90 O -0.0058 0.0128 0.0082 727 ALA 90 CB -0.0028 0.0145 0.0070 728 ASP 91 N -0.0093 0.0097 0.0098 729 ASP 91 CA -0.0083 0.0085 0.0083 730 ASP 91 C -0.0074 0.0099 0.0068 731 ASP 91 O -0.0069 0.0096 0.0060 732 ASP 91 CB -0.0079 0.0069 0.0077 733 ASP 91 CG -0.0087 0.0051 0.0089 734 ASP 91 OD1 -0.0093 0.0045 0.0099 735 ASP 91 OD2 -0.0086 0.0041 0.0088 736 ALA 92 N -0.0081 0.0125 0.0079 737 ALA 92 CA -0.0075 0.0135 0.0071 738 ALA 92 C -0.0077 0.0144 0.0072 739 ALA 92 O -0.0071 0.0147 0.0065 740 ALA 92 CB -0.0076 0.0143 0.0071 741 VAL 93 N -0.0060 0.0165 0.0062 742 VAL 93 CA -0.0055 0.0153 0.0056 743 VAL 93 C -0.0054 0.0159 0.0056 744 VAL 93 O -0.0058 0.0150 0.0057 745 VAL 93 CB -0.0042 0.0148 0.0045 746 VAL 93 CG1 -0.0034 0.0139 0.0038 747 VAL 93 CG2 -0.0044 0.0136 0.0045 748 ALA 94 N -0.0073 0.0151 0.0071 749 ALA 94 CA -0.0088 0.0142 0.0074 750 ALA 94 C -0.0080 0.0142 0.0065 751 ALA 94 O -0.0085 0.0143 0.0073 752 ALA 94 CB -0.0102 0.0126 0.0065 753 CYS 95 N -0.0105 0.0140 0.0086 754 CYS 95 CA -0.0096 0.0141 0.0081 755 CYS 95 C -0.0092 0.0152 0.0080 756 CYS 95 O -0.0087 0.0155 0.0078 757 CYS 95 CB -0.0090 0.0133 0.0077 758 CYS 95 SG -0.0078 0.0133 0.0070 759 ALA 96 N -0.0077 0.0158 0.0068 760 ALA 96 CA -0.0078 0.0153 0.0069 761 ALA 96 C -0.0077 0.0152 0.0067 762 ALA 96 O -0.0079 0.0150 0.0069 763 ALA 96 CB -0.0077 0.0149 0.0067 764 LYS 97 N -0.0071 0.0146 0.0060 765 LYS 97 CA -0.0066 0.0146 0.0053 766 LYS 97 C -0.0074 0.0159 0.0065 767 LYS 97 O -0.0077 0.0152 0.0068 768 LYS 97 CB -0.0051 0.0155 0.0035 769 LYS 97 CG -0.0042 0.0139 0.0021 770 LYS 97 CD -0.0029 0.0150 0.0004 771 LYS 97 CE -0.0019 0.0134 -0.0010 772 LYS 97 NZ -0.0006 0.0145 -0.0026 773 ARG 98 N -0.0098 0.0174 0.0081 774 ARG 98 CA -0.0102 0.0179 0.0086 775 ARG 98 C -0.0090 0.0181 0.0097 776 ARG 98 O -0.0093 0.0189 0.0107 777 ARG 98 CB -0.0106 0.0173 0.0074 778 ARG 98 CG -0.0108 0.0177 0.0078 779 ARG 98 CD -0.0121 0.0187 0.0085 780 ARG 98 NE -0.0121 0.0191 0.0091 781 ARG 98 CZ -0.0114 0.0196 0.0103 782 ARG 98 NH1 -0.0105 0.0198 0.0112 783 ARG 98 NH2 -0.0117 0.0199 0.0106 784 VAL 99 N -0.0084 0.0179 0.0090 785 VAL 99 CA -0.0088 0.0176 0.0094 786 VAL 99 C -0.0087 0.0167 0.0103 787 VAL 99 O -0.0095 0.0163 0.0108 788 VAL 99 CB -0.0082 0.0178 0.0092 789 VAL 99 CG1 -0.0085 0.0173 0.0097 790 VAL 99 CG2 -0.0084 0.0187 0.0083 791 VAL 100 N -0.0092 0.0140 0.0095 792 VAL 100 CA -0.0090 0.0121 0.0092 793 VAL 100 C -0.0086 0.0129 0.0087 794 VAL 100 O -0.0085 0.0115 0.0086 795 VAL 100 CB -0.0081 0.0101 0.0081 796 VAL 100 CG1 -0.0088 0.0092 0.0088 797 VAL 100 CG2 -0.0066 0.0108 0.0061 798 ARG 101 N -0.0085 0.0154 0.0088 799 ARG 101 CA -0.0087 0.0162 0.0088 800 ARG 101 C -0.0094 0.0166 0.0101 801 ARG 101 O -0.0096 0.0170 0.0103 802 ARG 101 CB -0.0087 0.0175 0.0079 803 ARG 101 CG -0.0080 0.0172 0.0065 804 ARG 101 CD -0.0080 0.0184 0.0057 805 ARG 101 NE -0.0082 0.0193 0.0056 806 ARG 101 CZ -0.0079 0.0194 0.0048 807 ARG 101 NH1 -0.0073 0.0185 0.0041 808 ARG 101 NH2 -0.0082 0.0204 0.0048 809 ASP 102 N -0.0094 0.0167 0.0108 810 ASP 102 CA -0.0102 0.0170 0.0130 811 ASP 102 C -0.0105 0.0148 0.0128 812 ASP 102 O -0.0105 0.0127 0.0115 813 ASP 102 CB -0.0110 0.0169 0.0153 814 ASP 102 CG -0.0108 0.0196 0.0161 815 ASP 102 OD1 -0.0099 0.0214 0.0146 816 ASP 102 OD2 -0.0115 0.0200 0.0182 817 PRO 103 N -0.0127 0.0132 0.0135 818 PRO 103 CA -0.0133 0.0107 0.0129 819 PRO 103 C -0.0146 0.0081 0.0134 820 PRO 103 O -0.0144 0.0059 0.0119 821 PRO 103 CB -0.0140 0.0114 0.0145 822 PRO 103 CG -0.0131 0.0144 0.0147 823 PRO 103 CD -0.0127 0.0155 0.0148 824 GLN 104 N -0.0162 0.0081 0.0148 825 GLN 104 CA -0.0172 0.0057 0.0155 826 GLN 104 C -0.0156 0.0045 0.0135 827 GLN 104 O -0.0159 0.0021 0.0135 828 GLN 104 CB -0.0187 0.0071 0.0173 829 GLN 104 CG -0.0210 0.0066 0.0196 830 GLN 104 CD -0.0224 0.0074 0.0212 831 GLN 104 OE1 -0.0240 0.0058 0.0226 832 GLN 104 NE2 -0.0216 0.0099 0.0208 833 GLY 105 N -0.0134 0.0066 0.0125 834 GLY 105 CA -0.0115 0.0058 0.0109 835 GLY 105 C -0.0119 0.0055 0.0113 836 GLY 105 O -0.0130 0.0071 0.0122 837 ILE 106 N -0.0117 0.0022 0.0099 838 ILE 106 CA -0.0125 0.0020 0.0106 839 ILE 106 C -0.0154 0.0011 0.0127 840 ILE 106 O -0.0164 0.0013 0.0136 841 ILE 106 CB -0.0109 -0.0002 0.0088 842 ILE 106 CG1 -0.0111 0.0001 0.0091 843 ILE 106 CG2 -0.0114 -0.0037 0.0086 844 ILE 106 CD1 -0.0088 -0.0007 0.0070 845 ARG 107 N -0.0176 -0.0008 0.0134 846 ARG 107 CA -0.0210 -0.0017 0.0159 847 ARG 107 C -0.0225 0.0019 0.0179 848 ARG 107 O -0.0253 0.0014 0.0201 849 ARG 107 CB -0.0221 -0.0038 0.0164 850 ARG 107 CG -0.0212 -0.0078 0.0147 851 ARG 107 CD -0.0221 -0.0098 0.0151 852 ARG 107 NE -0.0204 -0.0131 0.0129 853 ARG 107 CZ -0.0173 -0.0126 0.0105 854 ARG 107 NH1 -0.0157 -0.0094 0.0099 855 ARG 107 NH2 -0.0160 -0.0153 0.0088 856 ALA 108 N -0.0179 0.0055 0.0148 857 ALA 108 CA -0.0191 0.0085 0.0162 858 ALA 108 C -0.0205 0.0089 0.0171 859 ALA 108 O -0.0224 0.0105 0.0187 860 ALA 108 CB -0.0170 0.0114 0.0155 861 TRP 109 N -0.0227 0.0060 0.0173 862 TRP 109 CA -0.0221 0.0069 0.0167 863 TRP 109 C -0.0234 0.0027 0.0189 864 TRP 109 O -0.0210 -0.0013 0.0194 865 TRP 109 CB -0.0173 0.0077 0.0142 866 TRP 109 CG -0.0156 0.0120 0.0117 867 TRP 109 CD1 -0.0161 0.0163 0.0102 868 TRP 109 CD2 -0.0132 0.0128 0.0103 869 TRP 109 NE1 -0.0140 0.0194 0.0080 870 TRP 109 CE2 -0.0121 0.0174 0.0080 871 TRP 109 CE3 -0.0115 0.0099 0.0107 872 TRP 109 CZ2 -0.0097 0.0193 0.0061 873 TRP 109 CZ3 -0.0091 0.0116 0.0089 874 TRP 109 CH2 -0.0081 0.0163 0.0066 875 VAL 110 N -0.0300 0.0038 0.0227 876 VAL 110 CA -0.0328 -0.0003 0.0240 877 VAL 110 C -0.0317 -0.0033 0.0227 878 VAL 110 O -0.0325 -0.0077 0.0224 879 VAL 110 CB -0.0372 0.0007 0.0271 880 VAL 110 CG1 -0.0385 0.0039 0.0285 881 VAL 110 CG2 -0.0384 0.0019 0.0281 882 ALA 111 N -0.0309 -0.0001 0.0206 883 ALA 111 CA -0.0295 -0.0029 0.0194 884 ALA 111 C -0.0272 -0.0058 0.0173 885 ALA 111 O -0.0269 -0.0093 0.0170 886 ALA 111 CB -0.0279 -0.0004 0.0180 887 TRP 112 N -0.0250 -0.0046 0.0165 888 TRP 112 CA -0.0228 -0.0073 0.0146 889 TRP 112 C -0.0247 -0.0108 0.0152 890 TRP 112 O -0.0240 -0.0141 0.0142 891 TRP 112 CB -0.0203 -0.0055 0.0132 892 TRP 112 CG -0.0179 -0.0083 0.0112 893 TRP 112 CD1 -0.0152 -0.0089 0.0093 894 TRP 112 CD2 -0.0182 -0.0109 0.0110 895 TRP 112 NE1 -0.0137 -0.0118 0.0079 896 TRP 112 CE2 -0.0155 -0.0130 0.0088 897 TRP 112 CE3 -0.0204 -0.0116 0.0123 898 TRP 112 CZ2 -0.0150 -0.0157 0.0081 899 TRP 112 CZ3 -0.0199 -0.0143 0.0115 900 TRP 112 CH2 -0.0172 -0.0164 0.0094 901 ARG 113 N -0.0278 -0.0112 0.0181 902 ARG 113 CA -0.0303 -0.0152 0.0183 903 ARG 113 C -0.0331 -0.0178 0.0191 904 ARG 113 O -0.0337 -0.0220 0.0180 905 ARG 113 CB -0.0329 -0.0136 0.0204 906 ARG 113 CG -0.0305 -0.0107 0.0200 907 ARG 113 CD -0.0334 -0.0093 0.0222 908 ARG 113 NE -0.0318 -0.0051 0.0227 909 ARG 113 CZ -0.0339 -0.0026 0.0249 910 ARG 113 NH1 -0.0380 -0.0040 0.0269 911 ARG 113 NH2 -0.0321 0.0012 0.0251 912 ASN 114 N -0.0347 -0.0159 0.0206 913 ASN 114 CA -0.0372 -0.0180 0.0214 914 ASN 114 C -0.0349 -0.0201 0.0196 915 ASN 114 O -0.0364 -0.0236 0.0196 916 ASN 114 CB -0.0396 -0.0147 0.0236 917 ASN 114 CG -0.0421 -0.0122 0.0257 918 ASN 114 OD1 -0.0427 -0.0129 0.0258 919 ASN 114 ND2 -0.0435 -0.0088 0.0273 920 ARG 115 N -0.0320 -0.0174 0.0179 921 ARG 115 CA -0.0297 -0.0190 0.0162 922 ARG 115 C -0.0264 -0.0210 0.0138 923 ARG 115 O -0.0246 -0.0229 0.0124 924 ARG 115 CB -0.0286 -0.0152 0.0160 925 ARG 115 CG -0.0317 -0.0131 0.0182 926 ARG 115 CD -0.0329 -0.0154 0.0187 927 ARG 115 NE -0.0357 -0.0130 0.0209 928 ARG 115 CZ -0.0372 -0.0143 0.0217 929 ARG 115 NH1 -0.0358 -0.0175 0.0204 930 ARG 115 NH2 -0.0399 -0.0125 0.0237 931 CYS 116 N -0.0251 -0.0197 0.0135 932 CYS 116 CA -0.0216 -0.0208 0.0112 933 CYS 116 C -0.0216 -0.0237 0.0108 934 CYS 116 O -0.0194 -0.0265 0.0091 935 CYS 116 CB -0.0192 -0.0168 0.0102 936 CYS 116 SG -0.0189 -0.0128 0.0105 937 GLN 117 N -0.0235 -0.0232 0.0123 938 GLN 117 CA -0.0233 -0.0258 0.0114 939 GLN 117 C -0.0246 -0.0307 0.0109 940 GLN 117 O -0.0276 -0.0319 0.0125 941 GLN 117 CB -0.0260 -0.0242 0.0135 942 GLN 117 CG -0.0260 -0.0266 0.0129 943 GLN 117 CD -0.0280 -0.0244 0.0147 944 GLN 117 OE1 -0.0305 -0.0221 0.0168 945 GLN 117 NE2 -0.0269 -0.0251 0.0138 946 ASN 118 N -0.0223 -0.0348 0.0092 947 ASN 118 CA -0.0239 -0.0402 0.0083 948 ASN 118 C -0.0240 -0.0403 0.0083 949 ASN 118 O -0.0270 -0.0439 0.0082 950 ASN 118 CB -0.0294 -0.0426 0.0091 951 ASN 118 CG -0.0294 -0.0432 0.0089 952 ASN 118 OD1 -0.0254 -0.0451 0.0075 953 ASN 118 ND2 -0.0338 -0.0414 0.0104 954 ARG 119 N -0.0223 -0.0370 0.0080 955 ARG 119 CA -0.0220 -0.0382 0.0075 956 ARG 119 C -0.0184 -0.0383 0.0050 957 ARG 119 O -0.0163 -0.0364 0.0041 958 ARG 119 CB -0.0232 -0.0354 0.0089 959 ARG 119 CG -0.0267 -0.0354 0.0113 960 ARG 119 CD -0.0277 -0.0330 0.0125 961 ARG 119 NE -0.0309 -0.0319 0.0149 962 ARG 119 CZ -0.0333 -0.0324 0.0164 963 ARG 119 NH1 -0.0331 -0.0346 0.0157 964 ARG 119 NH2 -0.0359 -0.0308 0.0185 965 ASP 120 N -0.0185 -0.0396 0.0051 966 ASP 120 CA -0.0149 -0.0397 0.0033 967 ASP 120 C -0.0139 -0.0358 0.0039 968 ASP 120 O -0.0156 -0.0348 0.0050 969 ASP 120 CB -0.0154 -0.0426 0.0028 970 ASP 120 CG -0.0118 -0.0435 0.0009 971 ASP 120 OD1 -0.0092 -0.0412 0.0002 972 ASP 120 OD2 -0.0117 -0.0461 0.0001 973 VAL 121 N -0.0107 -0.0320 0.0034 974 VAL 121 CA -0.0098 -0.0285 0.0035 975 VAL 121 C -0.0066 -0.0282 0.0014 976 VAL 121 O -0.0053 -0.0252 0.0012 977 VAL 121 CB -0.0101 -0.0252 0.0045 978 VAL 121 CG1 -0.0136 -0.0249 0.0069 979 VAL 121 CG2 -0.0080 -0.0251 0.0031 980 ARG 122 N -0.0063 -0.0315 0.0003 981 ARG 122 CA -0.0027 -0.0314 -0.0019 982 ARG 122 C -0.0024 -0.0300 -0.0018 983 ARG 122 O 0.0003 -0.0283 -0.0033 984 ARG 122 CB -0.0012 -0.0353 -0.0033 985 ARG 122 CB -0.0017 -0.0358 -0.0031 986 ARG 122 CG -0.0011 -0.0378 -0.0038 987 ARG 122 CG -0.0022 -0.0375 -0.0030 988 ARG 122 CD 0.0019 -0.0405 -0.0060 989 ARG 122 CD 0.0003 -0.0351 -0.0042 990 ARG 122 NE 0.0010 -0.0441 -0.0059 991 ARG 122 NE 0.0029 -0.0330 -0.0055 992 ARG 122 CZ -0.0011 -0.0442 -0.0046 993 ARG 122 CZ 0.0053 -0.0303 -0.0066 994 ARG 122 NH1 -0.0003 -0.0418 -0.0048 995 ARG 122 NH1 0.0045 -0.0277 -0.0057 996 ARG 122 NH2 -0.0039 -0.0466 -0.0033 997 ARG 122 NH2 0.0085 -0.0304 -0.0085 998 GLN 123 N -0.0051 -0.0296 -0.0001 999 GLN 123 CA -0.0048 -0.0284 -0.0001 1000 GLN 123 C -0.0038 -0.0249 -0.0003 1001 GLN 123 O -0.0023 -0.0238 -0.0010 1002 GLN 123 CB -0.0076 -0.0289 0.0012 1003 GLN 123 CG -0.0099 -0.0267 0.0025 1004 GLN 123 CD -0.0128 -0.0276 0.0039 1005 GLN 123 OE1 -0.0150 -0.0282 0.0049 1006 GLN 123 NE2 -0.0130 -0.0273 0.0040 1007 TYR 124 N -0.0036 -0.0205 0.0008 1008 TYR 124 CA -0.0031 -0.0173 0.0006 1009 TYR 124 C -0.0003 -0.0162 -0.0009 1010 TYR 124 O 0.0005 -0.0138 -0.0014 1011 TYR 124 CB -0.0051 -0.0155 0.0018 1012 TYR 124 CG -0.0079 -0.0162 0.0034 1013 TYR 124 CD1 -0.0091 -0.0149 0.0040 1014 TYR 124 CD2 -0.0095 -0.0180 0.0042 1015 TYR 124 CE1 -0.0118 -0.0155 0.0055 1016 TYR 124 CE2 -0.0121 -0.0187 0.0056 1017 TYR 124 CZ -0.0132 -0.0175 0.0063 1018 TYR 124 OH -0.0158 -0.0181 0.0077 1019 VAL 125 N 0.0014 -0.0189 -0.0020 1020 VAL 125 CA 0.0048 -0.0178 -0.0040 1021 VAL 125 C 0.0068 -0.0203 -0.0056 1022 VAL 125 O 0.0097 -0.0197 -0.0073 1023 VAL 125 CB 0.0059 -0.0174 -0.0046 1024 VAL 125 CG1 0.0044 -0.0144 -0.0033 1025 VAL 125 CG2 0.0053 -0.0211 -0.0047 1026 GLN 126 N 0.0056 -0.0238 -0.0051 1027 GLN 126 CA 0.0075 -0.0264 -0.0068 1028 GLN 126 C 0.0094 -0.0245 -0.0075 1029 GLN 126 O 0.0081 -0.0224 -0.0062 1030 GLN 126 CB 0.0051 -0.0299 -0.0062 1031 GLN 126 CB 0.0053 -0.0300 -0.0064 1032 GLN 126 CG 0.0026 -0.0290 -0.0046 1033 GLN 126 CG 0.0026 -0.0312 -0.0051 1034 GLN 126 CD 0.0019 -0.0323 -0.0049 1035 GLN 126 CD 0.0038 -0.0332 -0.0062 1036 GLN 126 OE1 -0.0009 -0.0342 -0.0037 1037 GLN 126 OE1 0.0065 -0.0323 -0.0076 1038 GLN 126 NE2 0.0045 -0.0331 -0.0066 1039 GLN 126 NE2 0.0015 -0.0360 -0.0056 1040 GLY 127 N 0.0119 -0.0251 -0.0089 1041 GLY 127 CA 0.0137 -0.0239 -0.0098 1042 GLY 127 C 0.0151 -0.0202 -0.0099 1043 GLY 127 O 0.0166 -0.0188 -0.0105 1044 CYS 128 N 0.0136 -0.0183 -0.0088 1045 CYS 128 CA 0.0144 -0.0146 -0.0090 1046 CYS 128 C 0.0174 -0.0138 -0.0108 1047 CYS 128 O 0.0183 -0.0106 -0.0112 1048 CYS 128 CB 0.0119 -0.0126 -0.0073 1049 CYS 128 SG 0.0083 -0.0128 -0.0051 1050 GLY 129 N 0.0190 -0.0169 -0.0122 1051 GLY 129 CA 0.0219 -0.0163 -0.0139 1052 GLY 129 C 0.0214 -0.0149 -0.0135 1053 GLY 129 O 0.0235 -0.0129 -0.0147 1054 VAL 130 N 0.0182 -0.0149 -0.0119 1055 VAL 130 CA 0.0176 -0.0136 -0.0114 1056 VAL 130 C 0.0172 -0.0167 -0.0115 1057 VAL 130 O 0.0166 -0.0159 -0.0111 1058 VAL 130 CB 0.0146 -0.0113 -0.0094 1059 VAL 130 CG1 0.0150 -0.0077 -0.0093 1060 VAL 130 CG2 0.0116 -0.0137 -0.0079 1061 VAL 130 OXT 0.0174 -0.0196 -0.0119