1 VAL 1 N 0.0010 -0.0135 -0.0135 2 VAL 1 CA 0.0025 -0.0145 -0.0121 3 VAL 1 C 0.0014 -0.0169 -0.0113 4 VAL 1 O -0.0001 -0.0183 -0.0112 5 VAL 1 CB 0.0037 -0.0150 -0.0112 6 VAL 1 CG1 0.0057 -0.0157 -0.0098 7 VAL 1 CG2 0.0032 -0.0131 -0.0125 8 LEU 2 N 0.0031 -0.0170 -0.0103 9 LEU 2 CA 0.0022 -0.0196 -0.0093 10 LEU 2 C 0.0034 -0.0217 -0.0075 11 LEU 2 O 0.0056 -0.0207 -0.0070 12 LEU 2 CB 0.0034 -0.0191 -0.0090 13 LEU 2 CG 0.0024 -0.0184 -0.0099 14 LEU 2 CD1 -0.0001 -0.0188 -0.0110 15 LEU 2 CD2 0.0041 -0.0171 -0.0098 16 SER 3 N 0.0020 -0.0229 -0.0075 17 SER 3 CA 0.0029 -0.0250 -0.0058 18 SER 3 C 0.0041 -0.0259 -0.0047 19 SER 3 O 0.0038 -0.0261 -0.0048 20 SER 3 CB 0.0007 -0.0266 -0.0061 21 SER 3 OG -0.0007 -0.0279 -0.0060 22 PRO 4 N 0.0053 -0.0240 -0.0034 23 PRO 4 CA 0.0056 -0.0239 -0.0031 24 PRO 4 C 0.0049 -0.0251 -0.0035 25 PRO 4 O 0.0045 -0.0249 -0.0039 26 PRO 4 CB 0.0065 -0.0254 -0.0020 27 PRO 4 CG 0.0070 -0.0248 -0.0017 28 PRO 4 CD 0.0063 -0.0238 -0.0025 29 ALA 5 N 0.0040 -0.0260 -0.0042 30 ALA 5 CA 0.0033 -0.0269 -0.0047 31 ALA 5 C 0.0022 -0.0259 -0.0058 32 ALA 5 O 0.0018 -0.0262 -0.0062 33 ALA 5 CB 0.0025 -0.0281 -0.0052 34 ASP 6 N 0.0020 -0.0245 -0.0063 35 ASP 6 CA 0.0013 -0.0234 -0.0071 36 ASP 6 C 0.0018 -0.0230 -0.0067 37 ASP 6 O 0.0010 -0.0229 -0.0074 38 ASP 6 CB 0.0012 -0.0222 -0.0074 39 ASP 6 CG 0.0004 -0.0226 -0.0080 40 ASP 6 OD1 -0.0004 -0.0235 -0.0086 41 ASP 6 OD2 0.0008 -0.0218 -0.0078 42 LYS 7 N 0.0012 -0.0236 -0.0041 43 LYS 7 CA 0.0001 -0.0239 -0.0048 44 LYS 7 C -0.0000 -0.0232 -0.0056 45 LYS 7 O -0.0002 -0.0235 -0.0055 46 LYS 7 CB -0.0011 -0.0247 -0.0052 47 LYS 7 CG -0.0010 -0.0255 -0.0043 48 LYS 7 CD -0.0024 -0.0260 -0.0050 49 LYS 7 CE -0.0020 -0.0265 -0.0042 50 LYS 7 NZ -0.0034 -0.0269 -0.0051 51 THR 8 N 0.0007 -0.0218 -0.0063 52 THR 8 CA 0.0009 -0.0208 -0.0070 53 THR 8 C 0.0016 -0.0207 -0.0065 54 THR 8 O 0.0016 -0.0205 -0.0067 55 THR 8 CB 0.0012 -0.0195 -0.0080 56 THR 8 OG1 0.0002 -0.0198 -0.0086 57 THR 8 CG2 0.0014 -0.0187 -0.0086 58 ASN 9 N 0.0028 -0.0208 -0.0053 59 ASN 9 CA 0.0038 -0.0207 -0.0046 60 ASN 9 C 0.0033 -0.0218 -0.0040 61 ASN 9 O 0.0038 -0.0216 -0.0037 62 ASN 9 CB 0.0050 -0.0206 -0.0035 63 ASN 9 CG 0.0057 -0.0194 -0.0041 64 ASN 9 OD1 0.0057 -0.0184 -0.0051 65 ASN 9 ND2 0.0066 -0.0193 -0.0034 66 VAL 10 N -0.0020 -0.0194 -0.0047 67 VAL 10 CA -0.0000 -0.0195 -0.0053 68 VAL 10 C 0.0006 -0.0178 -0.0038 69 VAL 10 O 0.0024 -0.0172 -0.0037 70 VAL 10 CB -0.0003 -0.0209 -0.0066 71 VAL 10 CG1 0.0016 -0.0208 -0.0071 72 VAL 10 CG2 -0.0007 -0.0223 -0.0079 73 LYS 11 N -0.0011 -0.0176 -0.0031 74 LYS 11 CA -0.0005 -0.0161 -0.0018 75 LYS 11 C 0.0000 -0.0147 -0.0006 76 LYS 11 O 0.0017 -0.0136 0.0000 77 LYS 11 CB -0.0022 -0.0159 -0.0011 78 LYS 11 CG -0.0028 -0.0169 -0.0019 79 LYS 11 CD -0.0041 -0.0166 -0.0013 80 LYS 11 CE -0.0038 -0.0181 -0.0028 81 LYS 11 NZ -0.0058 -0.0183 -0.0024 82 ALA 12 N -0.0006 -0.0148 -0.0005 83 ALA 12 CA -0.0000 -0.0134 0.0008 84 ALA 12 C 0.0015 -0.0134 0.0003 85 ALA 12 O 0.0033 -0.0122 0.0009 86 ALA 12 CB -0.0015 -0.0135 0.0011 87 ALA 13 N 0.0010 -0.0187 0.0057 88 ALA 13 CA -0.0012 -0.0180 0.0028 89 ALA 13 C 0.0008 -0.0140 0.0020 90 ALA 13 O -0.0004 -0.0140 0.0008 91 ALA 13 CB -0.0035 -0.0169 -0.0006 92 TRP 14 N 0.0034 -0.0112 0.0029 93 TRP 14 CA 0.0052 -0.0076 0.0021 94 TRP 14 C 0.0074 -0.0085 0.0052 95 TRP 14 O 0.0077 -0.0068 0.0043 96 TRP 14 CB 0.0078 -0.0038 0.0022 97 TRP 14 CG 0.0081 -0.0011 0.0006 98 TRP 14 CD1 0.0119 0.0018 0.0026 99 TRP 14 CD2 0.0064 0.0015 -0.0032 100 TRP 14 NE1 0.0111 0.0053 -0.0008 101 TRP 14 CE2 0.0087 0.0057 -0.0037 102 TRP 14 CE3 0.0032 0.0011 -0.0063 103 TRP 14 CZ2 0.0075 0.0078 -0.0065 104 TRP 14 CZ3 0.0025 0.0043 -0.0095 105 TRP 14 CH2 0.0048 0.0075 -0.0092 106 GLY 15 N 0.0078 -0.0118 0.0081 107 GLY 15 CA 0.0101 -0.0120 0.0107 108 GLY 15 C 0.0069 -0.0142 0.0088 109 GLY 15 O 0.0089 -0.0128 0.0100 110 LYS 16 N 0.0118 -0.0119 0.0216 111 LYS 16 CA 0.0090 -0.0129 0.0197 112 LYS 16 C 0.0088 -0.0105 0.0180 113 LYS 16 O 0.0079 -0.0109 0.0174 114 LYS 16 CB 0.0061 -0.0151 0.0184 115 LYS 16 CG 0.0041 -0.0169 0.0178 116 LYS 16 CD 0.0059 -0.0202 0.0216 117 LYS 16 CE 0.0033 -0.0199 0.0190 118 LYS 16 NZ 0.0003 -0.0211 0.0170 119 VAL 17 N 0.0094 -0.0074 0.0165 120 VAL 17 CA 0.0089 -0.0050 0.0144 121 VAL 17 C 0.0110 -0.0035 0.0154 122 VAL 17 O 0.0101 -0.0038 0.0147 123 VAL 17 CB 0.0086 -0.0026 0.0125 124 VAL 17 CG1 0.0095 0.0006 0.0114 125 VAL 17 CG2 0.0061 -0.0033 0.0107 126 GLY 18 N 0.0136 -0.0037 0.0180 127 GLY 18 CA 0.0158 -0.0033 0.0198 128 GLY 18 C 0.0162 0.0004 0.0176 129 GLY 18 O 0.0169 0.0028 0.0167 130 ALA 19 N 0.0088 0.0030 0.0166 131 ALA 19 CA 0.0124 0.0045 0.0166 132 ALA 19 C 0.0089 0.0055 0.0137 133 ALA 19 O 0.0108 0.0079 0.0116 134 ALA 19 CB 0.0143 0.0028 0.0195 135 HIS 20 N 0.0047 0.0053 0.0120 136 HIS 20 CA 0.0016 0.0063 0.0093 137 HIS 20 C 0.0022 0.0096 0.0056 138 HIS 20 O -0.0006 0.0111 0.0027 139 HIS 20 CB -0.0028 0.0045 0.0095 140 HIS 20 CG -0.0046 0.0016 0.0121 141 HIS 20 ND1 -0.0032 0.0011 0.0133 142 HIS 20 CD2 -0.0036 -0.0012 0.0160 143 HIS 20 CE1 -0.0047 -0.0019 0.0163 144 HIS 20 NE2 -0.0052 -0.0034 0.0178 145 ALA 21 N 0.0049 0.0107 0.0056 146 ALA 21 CA 0.0047 0.0135 0.0022 147 ALA 21 C 0.0038 0.0164 -0.0017 148 ALA 21 O 0.0023 0.0178 -0.0040 149 ALA 21 CB 0.0074 0.0143 0.0025 150 GLY 22 N -0.0016 0.0174 0.0116 151 GLY 22 CA -0.0024 0.0190 0.0103 152 GLY 22 C -0.0036 0.0188 0.0089 153 GLY 22 O -0.0045 0.0199 0.0076 154 GLU 23 N -0.0044 0.0174 0.0082 155 GLU 23 CA -0.0058 0.0170 0.0065 156 GLU 23 C -0.0063 0.0162 0.0061 157 GLU 23 O -0.0074 0.0164 0.0047 158 GLU 23 CB -0.0059 0.0151 0.0068 159 GLU 23 CG -0.0073 0.0147 0.0051 160 GLU 23 CD -0.0073 0.0125 0.0056 161 GLU 23 OE1 -0.0079 0.0109 0.0051 162 GLU 23 OE2 -0.0060 0.0129 0.0070 163 TYR 24 N -0.0056 0.0149 0.0072 164 TYR 24 CA -0.0060 0.0141 0.0068 165 TYR 24 C -0.0058 0.0159 0.0067 166 TYR 24 O -0.0067 0.0158 0.0057 167 TYR 24 CB -0.0050 0.0127 0.0083 168 TYR 24 CG -0.0054 0.0105 0.0082 169 TYR 24 CD1 -0.0048 0.0091 0.0092 170 TYR 24 CD2 -0.0063 0.0103 0.0072 171 TYR 24 CE1 -0.0051 0.0073 0.0091 172 TYR 24 CE2 -0.0066 0.0087 0.0071 173 TYR 24 CZ -0.0058 0.0069 0.0083 174 TYR 24 OH -0.0059 0.0056 0.0085 175 GLY 25 N -0.0051 0.0133 0.0040 176 GLY 25 CA -0.0053 0.0126 0.0043 177 GLY 25 C -0.0044 0.0124 0.0038 178 GLY 25 O -0.0040 0.0116 0.0037 179 ALA 26 N -0.0041 0.0133 0.0034 180 ALA 26 CA -0.0034 0.0134 0.0029 181 ALA 26 C -0.0023 0.0128 0.0024 182 ALA 26 O -0.0017 0.0122 0.0021 183 ALA 26 CB -0.0031 0.0144 0.0025 184 GLU 27 N -0.0021 0.0131 0.0022 185 GLU 27 CA -0.0012 0.0126 0.0017 186 GLU 27 C -0.0012 0.0114 0.0020 187 GLU 27 O -0.0004 0.0109 0.0017 188 GLU 27 CB -0.0013 0.0133 0.0016 189 GLU 27 CG -0.0003 0.0128 0.0011 190 GLU 27 CD -0.0002 0.0135 0.0009 191 GLU 27 OE1 0.0002 0.0129 0.0008 192 GLU 27 OE2 -0.0006 0.0144 0.0009 193 ALA 28 N -0.0020 0.0096 -0.0017 194 ALA 28 CA -0.0018 0.0082 -0.0010 195 ALA 28 C -0.0015 0.0075 -0.0007 196 ALA 28 O -0.0009 0.0065 -0.0004 197 ALA 28 CB -0.0027 0.0078 -0.0001 198 LEU 29 N -0.0027 0.0082 -0.0003 199 LEU 29 CA -0.0025 0.0076 -0.0001 200 LEU 29 C -0.0013 0.0076 -0.0010 201 LEU 29 O -0.0007 0.0067 -0.0007 202 LEU 29 CB -0.0039 0.0086 0.0003 203 LEU 29 CG -0.0051 0.0084 0.0012 204 LEU 29 CD1 -0.0060 0.0095 0.0012 205 LEU 29 CD2 -0.0051 0.0071 0.0021 206 GLU 30 N -0.0010 0.0088 -0.0020 207 GLU 30 CA 0.0002 0.0087 -0.0028 208 GLU 30 C 0.0014 0.0076 -0.0029 209 GLU 30 O 0.0022 0.0071 -0.0031 210 GLU 30 CB 0.0003 0.0100 -0.0037 211 GLU 30 CG 0.0015 0.0099 -0.0044 212 GLU 30 CD 0.0014 0.0117 -0.0057 213 GLU 30 OE1 0.0007 0.0124 -0.0056 214 GLU 30 OE2 0.0021 0.0118 -0.0062 215 ARG 31 N 0.0026 0.0063 -0.0042 216 ARG 31 CA 0.0022 0.0065 -0.0043 217 ARG 31 C 0.0020 0.0053 -0.0052 218 ARG 31 O 0.0024 0.0052 -0.0051 219 ARG 31 CB 0.0010 0.0074 -0.0042 220 ARG 31 CG 0.0013 0.0086 -0.0032 221 ARG 31 CD 0.0001 0.0094 -0.0031 222 ARG 31 NE 0.0001 0.0107 -0.0022 223 ARG 31 CZ 0.0006 0.0112 -0.0016 224 ARG 31 NH1 0.0010 0.0108 -0.0017 225 ARG 31 NH2 0.0008 0.0122 -0.0008 226 MET 32 N 0.0014 0.0048 -0.0059 227 MET 32 CA 0.0012 0.0038 -0.0067 228 MET 32 C 0.0024 0.0029 -0.0067 229 MET 32 O 0.0026 0.0023 -0.0071 230 MET 32 CB 0.0004 0.0033 -0.0074 231 MET 32 CG 0.0000 0.0022 -0.0083 232 MET 32 SD -0.0008 0.0016 -0.0090 233 MET 32 CE 0.0006 0.0012 -0.0088 234 PHE 33 N 0.0033 0.0027 -0.0065 235 PHE 33 CA 0.0046 0.0020 -0.0065 236 PHE 33 C 0.0053 0.0021 -0.0061 237 PHE 33 O 0.0059 0.0014 -0.0063 238 PHE 33 CB 0.0054 0.0018 -0.0063 239 PHE 33 CG 0.0048 0.0014 -0.0068 240 PHE 33 CD1 0.0042 0.0006 -0.0076 241 PHE 33 CD2 0.0052 0.0019 -0.0063 242 PHE 33 CE1 0.0038 0.0001 -0.0081 243 PHE 33 CE2 0.0044 0.0015 -0.0069 244 PHE 33 CZ 0.0039 0.0008 -0.0076 245 LEU 34 N 0.0066 0.0046 -0.0059 246 LEU 34 CA 0.0073 0.0046 -0.0062 247 LEU 34 C 0.0066 0.0037 -0.0066 248 LEU 34 O 0.0071 0.0033 -0.0071 249 LEU 34 CB 0.0075 0.0055 -0.0056 250 LEU 34 CG 0.0083 0.0063 -0.0052 251 LEU 34 CD1 0.0084 0.0074 -0.0045 252 LEU 34 CD2 0.0093 0.0062 -0.0058 253 SER 35 N 0.0053 0.0036 -0.0062 254 SER 35 CA 0.0048 0.0029 -0.0064 255 SER 35 C 0.0045 0.0018 -0.0072 256 SER 35 O 0.0044 0.0010 -0.0077 257 SER 35 CB 0.0035 0.0031 -0.0058 258 SER 35 OG 0.0037 0.0039 -0.0052 259 PHE 36 N 0.0044 0.0017 -0.0072 260 PHE 36 CA 0.0042 0.0008 -0.0078 261 PHE 36 C 0.0050 0.0008 -0.0081 262 PHE 36 O 0.0046 0.0009 -0.0079 263 PHE 36 CB 0.0030 0.0006 -0.0074 264 PHE 36 CG 0.0019 0.0007 -0.0069 265 PHE 36 CD1 0.0015 0.0016 -0.0061 266 PHE 36 CD2 0.0017 -0.0001 -0.0074 267 PHE 36 CE1 0.0007 0.0016 -0.0057 268 PHE 36 CE2 0.0009 0.0000 -0.0070 269 PHE 36 CZ 0.0005 0.0009 -0.0062 270 PRO 37 N 0.0077 -0.0007 -0.0082 271 PRO 37 CA 0.0070 -0.0007 -0.0080 272 PRO 37 C 0.0067 -0.0008 -0.0074 273 PRO 37 O 0.0061 -0.0007 -0.0073 274 PRO 37 CB 0.0072 -0.0007 -0.0081 275 PRO 37 CG 0.0079 -0.0008 -0.0082 276 PRO 37 CD 0.0082 -0.0008 -0.0083 277 THR 38 N 0.0070 -0.0010 -0.0069 278 THR 38 CA 0.0067 -0.0011 -0.0063 279 THR 38 C 0.0061 -0.0010 -0.0064 280 THR 38 O 0.0057 -0.0010 -0.0061 281 THR 38 CB 0.0072 -0.0013 -0.0059 282 THR 38 OG1 0.0076 -0.0013 -0.0061 283 THR 38 CG2 0.0076 -0.0015 -0.0057 284 THR 39 N 0.0062 -0.0008 -0.0070 285 THR 39 CA 0.0057 -0.0007 -0.0071 286 THR 39 C 0.0050 -0.0006 -0.0072 287 THR 39 O 0.0046 -0.0005 -0.0072 288 THR 39 CB 0.0059 -0.0006 -0.0076 289 THR 39 OG1 0.0060 -0.0004 -0.0082 290 THR 39 CG2 0.0065 -0.0008 -0.0075 291 LYS 40 N 0.0079 -0.0030 -0.0073 292 LYS 40 CA 0.0055 -0.0033 -0.0077 293 LYS 40 C 0.0039 -0.0029 -0.0057 294 LYS 40 O 0.0021 -0.0031 -0.0057 295 LYS 40 CB 0.0043 -0.0035 -0.0079 296 LYS 40 CG 0.0051 -0.0041 -0.0103 297 LYS 40 CD 0.0038 -0.0043 -0.0107 298 LYS 40 CE 0.0045 -0.0039 -0.0095 299 LYS 40 NZ 0.0034 -0.0042 -0.0100 300 THR 41 N 0.0052 -0.0023 -0.0037 301 THR 41 CA 0.0041 -0.0018 -0.0016 302 THR 41 C 0.0035 -0.0020 -0.0021 303 THR 41 O 0.0022 -0.0017 -0.0007 304 THR 41 CB 0.0058 -0.0011 0.0005 305 THR 41 OG1 0.0078 -0.0010 0.0001 306 THR 41 CG2 0.0060 -0.0009 0.0011 307 TYR 42 N 0.0044 -0.0023 -0.0037 308 TYR 42 CA 0.0039 -0.0024 -0.0039 309 TYR 42 C 0.0017 -0.0031 -0.0057 310 TYR 42 O 0.0011 -0.0033 -0.0062 311 TYR 42 CB 0.0060 -0.0026 -0.0052 312 TYR 42 CG 0.0078 -0.0019 -0.0033 313 TYR 42 CD1 0.0078 -0.0015 -0.0016 314 TYR 42 CD2 0.0097 -0.0017 -0.0032 315 TYR 42 CE1 0.0096 -0.0009 -0.0000 316 TYR 42 CE2 0.0114 -0.0011 -0.0016 317 TYR 42 CZ 0.0113 -0.0007 0.0000 318 TYR 42 OH 0.0130 -0.0001 0.0016 319 PHE 43 N 0.0002 -0.0127 -0.0131 320 PHE 43 CA -0.0002 -0.0133 -0.0133 321 PHE 43 C 0.0003 -0.0153 -0.0112 322 PHE 43 O 0.0008 -0.0149 -0.0106 323 PHE 43 CB 0.0002 -0.0110 -0.0142 324 PHE 43 CG -0.0006 -0.0092 -0.0169 325 PHE 43 CD1 0.0002 -0.0072 -0.0168 326 PHE 43 CD2 -0.0020 -0.0093 -0.0191 327 PHE 43 CE1 -0.0005 -0.0057 -0.0190 328 PHE 43 CE2 -0.0028 -0.0077 -0.0216 329 PHE 43 CZ -0.0018 -0.0057 -0.0212 330 PRO 44 N 0.0002 -0.0173 -0.0100 331 PRO 44 CA 0.0010 -0.0187 -0.0077 332 PRO 44 C -0.0005 -0.0210 -0.0085 333 PRO 44 O 0.0000 -0.0218 -0.0071 334 PRO 44 CB 0.0007 -0.0205 -0.0068 335 PRO 44 CG -0.0007 -0.0209 -0.0090 336 PRO 44 CD -0.0006 -0.0181 -0.0107 337 HIS 45 N -0.0018 -0.0211 -0.0107 338 HIS 45 CA -0.0031 -0.0226 -0.0118 339 HIS 45 C -0.0031 -0.0213 -0.0127 340 HIS 45 O -0.0041 -0.0222 -0.0137 341 HIS 45 CB -0.0048 -0.0236 -0.0138 342 HIS 45 CG -0.0056 -0.0222 -0.0163 343 HIS 45 ND1 -0.0043 -0.0199 -0.0156 344 HIS 45 CD2 -0.0067 -0.0214 -0.0186 345 HIS 45 CE1 -0.0051 -0.0186 -0.0179 346 HIS 45 NE2 -0.0066 -0.0195 -0.0198 347 PHE 46 N 0.0001 -0.0071 -0.0203 348 PHE 46 CA 0.0000 -0.0060 -0.0185 349 PHE 46 C 0.0015 -0.0056 -0.0194 350 PHE 46 O 0.0015 -0.0066 -0.0209 351 PHE 46 CB -0.0024 -0.0069 -0.0174 352 PHE 46 CG -0.0034 -0.0066 -0.0159 353 PHE 46 CD1 -0.0053 -0.0066 -0.0140 354 PHE 46 CD2 -0.0031 -0.0062 -0.0156 355 PHE 46 CE1 -0.0065 -0.0065 -0.0126 356 PHE 46 CE2 -0.0043 -0.0059 -0.0139 357 PHE 46 CZ -0.0061 -0.0061 -0.0123 358 ASP 47 N 0.0023 -0.0040 -0.0176 359 ASP 47 CA 0.0030 -0.0037 -0.0179 360 ASP 47 C 0.0007 -0.0044 -0.0167 361 ASP 47 O -0.0001 -0.0037 -0.0148 362 ASP 47 CB 0.0045 -0.0016 -0.0162 363 ASP 47 CG 0.0054 -0.0013 -0.0166 364 ASP 47 OD1 0.0049 -0.0022 -0.0175 365 ASP 47 OD2 0.0061 0.0003 -0.0149 366 LEU 48 N 0.0003 -0.0056 -0.0180 367 LEU 48 CA -0.0015 -0.0063 -0.0174 368 LEU 48 C -0.0013 -0.0060 -0.0172 369 LEU 48 O -0.0028 -0.0065 -0.0163 370 LEU 48 CB -0.0031 -0.0084 -0.0191 371 LEU 48 CG -0.0040 -0.0090 -0.0190 372 LEU 48 CD1 -0.0050 -0.0111 -0.0213 373 LEU 48 CD2 -0.0052 -0.0088 -0.0174 374 SER 49 N -0.0088 -0.0086 -0.0288 375 SER 49 CA -0.0095 -0.0094 -0.0293 376 SER 49 C -0.0131 -0.0133 -0.0183 377 SER 49 O -0.0123 -0.0119 -0.0086 378 SER 49 CB -0.0035 -0.0025 -0.0354 379 SER 49 OG 0.0005 0.0026 -0.0290 380 HIS 50 N -0.0177 -0.0188 -0.0184 381 HIS 50 CA -0.0202 -0.0214 -0.0071 382 HIS 50 C -0.0161 -0.0160 0.0020 383 HIS 50 O -0.0102 -0.0090 -0.0014 384 HIS 50 CB -0.0244 -0.0265 -0.0092 385 HIS 50 CG -0.0266 -0.0287 0.0010 386 HIS 50 ND1 -0.0332 -0.0364 0.0060 387 HIS 50 CD2 -0.0275 -0.0297 0.0030 388 HIS 50 CE1 -0.0344 -0.0374 0.0160 389 HIS 50 NE2 -0.0299 -0.0321 0.0145 390 GLY 51 N -0.0158 -0.0152 0.0097 391 GLY 51 CA -0.0121 -0.0104 0.0200 392 GLY 51 C -0.0053 -0.0022 0.0207 393 GLY 51 O -0.0012 0.0031 0.0267 394 SER 52 N -0.0045 -0.0006 0.0118 395 SER 52 CA 0.0004 -0.0001 0.0097 396 SER 52 C -0.0000 0.0001 0.0118 397 SER 52 O -0.0033 -0.0003 0.0123 398 SER 52 CB 0.0005 -0.0009 0.0040 399 SER 52 OG -0.0021 -0.0015 0.0020 400 ALA 53 N 0.0049 0.0010 0.0123 401 ALA 53 CA 0.0050 0.0012 0.0142 402 ALA 53 C 0.0033 0.0004 0.0103 403 ALA 53 O 0.0011 0.0003 0.0118 404 ALA 53 CB 0.0111 0.0022 0.0143 405 GLN 54 N 0.0031 -0.0003 0.0050 406 GLN 54 CA 0.0015 -0.0011 0.0014 407 GLN 54 C -0.0048 -0.0019 0.0024 408 GLN 54 O -0.0063 -0.0023 0.0014 409 GLN 54 CB 0.0026 -0.0016 -0.0041 410 GLN 54 CG 0.0080 -0.0010 -0.0057 411 GLN 54 CD 0.0096 -0.0013 -0.0100 412 GLN 54 OE1 0.0101 -0.0012 -0.0101 413 GLN 54 NE2 0.0134 -0.0012 -0.0134 414 VAL 55 N -0.0041 -0.0024 0.0003 415 VAL 55 CA -0.0102 -0.0011 0.0010 416 VAL 55 C -0.0123 -0.0001 0.0047 417 VAL 55 O -0.0157 0.0005 0.0041 418 VAL 55 CB -0.0119 -0.0006 0.0023 419 VAL 55 CG1 -0.0179 0.0008 0.0039 420 VAL 55 CG2 -0.0113 -0.0015 -0.0026 421 LYS 56 N -0.0092 0.0003 0.0098 422 LYS 56 CA -0.0099 0.0010 0.0133 423 LYS 56 C -0.0109 0.0008 0.0110 424 LYS 56 O -0.0134 0.0014 0.0121 425 LYS 56 CB -0.0072 0.0016 0.0193 426 LYS 56 CG -0.0085 0.0022 0.0213 427 LYS 56 CD -0.0048 0.0028 0.0288 428 LYS 56 CE -0.0054 0.0036 0.0324 429 LYS 56 NZ -0.0024 0.0040 0.0380 430 GLY 57 N -0.0054 -0.0007 0.0084 431 GLY 57 CA -0.0047 -0.0013 0.0056 432 GLY 57 C -0.0094 -0.0013 0.0007 433 GLY 57 O -0.0112 -0.0009 0.0013 434 HIS 58 N -0.0118 0.0007 0.0026 435 HIS 58 CA -0.0121 0.0005 0.0024 436 HIS 58 C -0.0119 0.0032 0.0016 437 HIS 58 O -0.0131 0.0032 0.0006 438 HIS 58 CB -0.0106 -0.0007 0.0041 439 HIS 58 CG -0.0113 -0.0014 0.0038 440 HIS 58 ND1 -0.0130 -0.0026 0.0028 441 HIS 58 CD2 -0.0102 -0.0009 0.0045 442 HIS 58 CE1 -0.0128 -0.0024 0.0029 443 HIS 58 NE2 -0.0112 -0.0017 0.0039 444 GLY 59 N -0.0106 0.0044 0.0022 445 GLY 59 CA -0.0105 0.0069 0.0014 446 GLY 59 C -0.0119 0.0078 -0.0001 447 GLY 59 O -0.0127 0.0088 -0.0012 448 LYS 60 N -0.0129 0.0073 -0.0008 449 LYS 60 CA -0.0148 0.0079 -0.0026 450 LYS 60 C -0.0163 0.0071 -0.0036 451 LYS 60 O -0.0173 0.0079 -0.0047 452 LYS 60 CB -0.0154 0.0076 -0.0030 453 LYS 60 CG -0.0170 0.0082 -0.0046 454 LYS 60 CD -0.0172 0.0078 -0.0046 455 LYS 60 CE -0.0196 0.0086 -0.0069 456 LYS 60 NZ -0.0185 0.0076 -0.0056 457 LYS 61 N -0.0190 0.0040 -0.0027 458 LYS 61 CA -0.0190 0.0040 -0.0017 459 LYS 61 C -0.0151 0.0056 -0.0001 460 LYS 61 O -0.0147 0.0059 -0.0016 461 LYS 61 CB -0.0211 0.0027 0.0023 462 LYS 61 CG -0.0255 0.0007 0.0016 463 LYS 61 CD -0.0275 -0.0004 0.0055 464 LYS 61 CE -0.0296 -0.0014 0.0055 465 LYS 61 NZ -0.0325 -0.0030 0.0094 466 VAL 62 N -0.0134 0.0063 0.0012 467 VAL 62 CA -0.0094 0.0080 0.0023 468 VAL 62 C -0.0069 0.0095 -0.0019 469 VAL 62 O -0.0058 0.0100 -0.0019 470 VAL 62 CB -0.0077 0.0086 0.0046 471 VAL 62 CG1 -0.0039 0.0103 0.0057 472 VAL 62 CG2 -0.0093 0.0076 0.0087 473 ALA 63 N -0.0081 0.0091 -0.0040 474 ALA 63 CA -0.0062 0.0103 -0.0079 475 ALA 63 C -0.0076 0.0099 -0.0105 476 ALA 63 O -0.0055 0.0109 -0.0120 477 ALA 63 CB -0.0063 0.0104 -0.0098 478 ASP 64 N -0.0085 0.0078 -0.0117 479 ASP 64 CA -0.0084 0.0078 -0.0115 480 ASP 64 C -0.0071 0.0079 -0.0091 481 ASP 64 O -0.0059 0.0076 -0.0094 482 ASP 64 CB -0.0115 0.0083 -0.0110 483 ASP 64 CG -0.0135 0.0082 -0.0145 484 ASP 64 OD1 -0.0114 0.0076 -0.0163 485 ASP 64 OD2 -0.0159 0.0087 -0.0136 486 ALA 65 N -0.0074 0.0082 -0.0066 487 ALA 65 CA -0.0055 0.0082 -0.0047 488 ALA 65 C -0.0022 0.0076 -0.0051 489 ALA 65 O -0.0013 0.0075 -0.0042 490 ALA 65 CB -0.0060 0.0086 -0.0019 491 LEU 66 N -0.0017 0.0073 -0.0066 492 LEU 66 CA 0.0012 0.0068 -0.0071 493 LEU 66 C 0.0017 0.0064 -0.0092 494 LEU 66 O 0.0038 0.0061 -0.0089 495 LEU 66 CB 0.0020 0.0065 -0.0082 496 LEU 66 CG 0.0024 0.0067 -0.0062 497 LEU 66 CD1 0.0027 0.0065 -0.0076 498 LEU 66 CD2 0.0043 0.0067 -0.0039 499 THR 67 N 0.0002 0.0060 -0.0122 500 THR 67 CA 0.0000 0.0065 -0.0091 501 THR 67 C -0.0004 0.0065 -0.0076 502 THR 67 O -0.0021 0.0054 -0.0056 503 THR 67 CB 0.0016 0.0083 -0.0080 504 THR 67 OG1 0.0018 0.0083 -0.0086 505 THR 67 CG2 0.0016 0.0090 -0.0048 506 ASN 68 N 0.0009 0.0074 -0.0090 507 ASN 68 CA 0.0005 0.0073 -0.0080 508 ASN 68 C -0.0014 0.0053 -0.0085 509 ASN 68 O -0.0027 0.0046 -0.0065 510 ASN 68 CB 0.0022 0.0084 -0.0098 511 ASN 68 CG 0.0020 0.0084 -0.0091 512 ASN 68 OD1 0.0016 0.0085 -0.0068 513 ASN 68 ND2 0.0031 0.0089 -0.0110 514 ALA 69 N -0.0025 0.0037 -0.0109 515 ALA 69 CA -0.0045 0.0018 -0.0113 516 ALA 69 C -0.0064 0.0006 -0.0091 517 ALA 69 O -0.0078 -0.0005 -0.0083 518 ALA 69 CB -0.0048 0.0009 -0.0140 519 VAL 70 N -0.0012 -0.0013 -0.0089 520 VAL 70 CA -0.0038 -0.0020 -0.0060 521 VAL 70 C -0.0055 -0.0002 -0.0018 522 VAL 70 O -0.0084 -0.0022 0.0002 523 VAL 70 CB -0.0021 -0.0002 -0.0065 524 VAL 70 CG1 -0.0037 0.0001 -0.0040 525 VAL 70 CG2 -0.0008 -0.0024 -0.0106 526 ALA 71 N -0.0040 0.0029 -0.0007 527 ALA 71 CA -0.0056 0.0048 0.0033 528 ALA 71 C -0.0074 0.0023 0.0033 529 ALA 71 O -0.0101 0.0025 0.0072 530 ALA 71 CB -0.0029 0.0081 0.0032 531 HIS 72 N -0.0076 -0.0002 0.0010 532 HIS 72 CA -0.0096 -0.0023 0.0016 533 HIS 72 C -0.0111 -0.0062 -0.0003 534 HIS 72 O -0.0113 -0.0086 -0.0025 535 HIS 72 CB -0.0078 -0.0015 -0.0001 536 HIS 72 CG -0.0065 0.0022 0.0019 537 HIS 72 ND1 -0.0074 0.0047 0.0059 538 HIS 72 CD2 -0.0035 0.0061 0.0019 539 HIS 72 CE1 -0.0066 0.0081 0.0082 540 HIS 72 NE2 -0.0032 0.0099 0.0054 541 VAL 73 N -0.0103 -0.0046 -0.0011 542 VAL 73 CA -0.0135 -0.0123 -0.0065 543 VAL 73 C -0.0165 -0.0162 -0.0057 544 VAL 73 O -0.0182 -0.0209 -0.0093 545 VAL 73 CB -0.0151 -0.0145 -0.0063 546 VAL 73 CG1 -0.0186 -0.0150 0.0013 547 VAL 73 CG2 -0.0145 -0.0182 -0.0136 548 ASP 74 N -0.0194 -0.0152 0.0027 549 ASP 74 CA -0.0241 -0.0203 0.0053 550 ASP 74 C -0.0202 -0.0171 0.0016 551 ASP 74 O -0.0244 -0.0217 0.0038 552 ASP 74 CB -0.0268 -0.0185 0.0146 553 ASP 74 CG -0.0310 -0.0225 0.0179 554 ASP 74 OD1 -0.0327 -0.0262 0.0157 555 ASP 74 OD2 -0.0298 -0.0173 0.0237 556 ASP 75 N -0.0168 -0.0130 0.0001 557 ASP 75 CA -0.0140 -0.0114 -0.0037 558 ASP 75 C -0.0078 -0.0065 -0.0102 559 ASP 75 O -0.0037 -0.0009 -0.0105 560 ASP 75 CB -0.0109 -0.0021 0.0042 561 ASP 75 CG -0.0125 -0.0043 0.0043 562 ASP 75 OD1 -0.0139 -0.0060 0.0049 563 ASP 75 OD2 -0.0063 0.0056 0.0061 564 MET 76 N -0.0074 -0.0011 -0.0171 565 MET 76 CA -0.0079 0.0003 -0.0190 566 MET 76 C -0.0073 0.0027 -0.0205 567 MET 76 O -0.0066 0.0042 -0.0211 568 MET 76 CB -0.0103 -0.0011 -0.0206 569 MET 76 CG -0.0106 -0.0022 -0.0200 570 MET 76 SD -0.0135 -0.0037 -0.0220 571 MET 76 CE -0.0148 -0.0057 -0.0219 572 PRO 77 N -0.0072 0.0029 -0.0205 573 PRO 77 CA -0.0060 0.0050 -0.0211 574 PRO 77 C -0.0044 0.0065 -0.0205 575 PRO 77 O -0.0039 0.0087 -0.0219 576 PRO 77 CB -0.0060 0.0053 -0.0213 577 PRO 77 CG -0.0078 0.0029 -0.0212 578 PRO 77 CD -0.0081 0.0014 -0.0203 579 ASN 78 N -0.0029 0.0062 -0.0184 580 ASN 78 CA -0.0010 0.0076 -0.0174 581 ASN 78 C -0.0011 0.0075 -0.0175 582 ASN 78 O -0.0004 0.0094 -0.0183 583 ASN 78 CB 0.0007 0.0072 -0.0150 584 ASN 78 CG 0.0013 0.0077 -0.0147 585 ASN 78 OD1 0.0005 0.0060 -0.0142 586 ASN 78 ND2 0.0020 0.0092 -0.0153 587 ALA 79 N -0.0039 0.0082 -0.0190 588 ALA 79 CA -0.0050 0.0077 -0.0201 589 ALA 79 C -0.0065 0.0076 -0.0189 590 ALA 79 O -0.0080 0.0072 -0.0194 591 ALA 79 CB -0.0040 0.0076 -0.0214 592 LEU 80 N -0.0057 0.0081 -0.0177 593 LEU 80 CA -0.0066 0.0082 -0.0164 594 LEU 80 C -0.0076 0.0084 -0.0149 595 LEU 80 O -0.0080 0.0086 -0.0135 596 LEU 80 CB -0.0054 0.0086 -0.0160 597 LEU 80 CG -0.0047 0.0083 -0.0177 598 LEU 80 CD1 -0.0035 0.0088 -0.0171 599 LEU 80 CD2 -0.0065 0.0078 -0.0184 600 SER 81 N -0.0076 0.0085 -0.0146 601 SER 81 CA -0.0079 0.0088 -0.0127 602 SER 81 C -0.0098 0.0085 -0.0122 603 SER 81 O -0.0101 0.0089 -0.0105 604 SER 81 CB -0.0083 0.0085 -0.0137 605 SER 81 OG -0.0082 0.0090 -0.0117 606 ALA 82 N -0.0196 0.0086 -0.0108 607 ALA 82 CA -0.0204 0.0060 -0.0093 608 ALA 82 C -0.0168 0.0059 -0.0059 609 ALA 82 O -0.0161 0.0030 -0.0028 610 ALA 82 CB -0.0224 0.0063 -0.0114 611 LEU 83 N -0.0139 0.0095 -0.0065 612 LEU 83 CA -0.0102 0.0094 -0.0030 613 LEU 83 C -0.0079 0.0092 -0.0008 614 LEU 83 O -0.0058 0.0074 0.0027 615 LEU 83 CB -0.0077 0.0138 -0.0046 616 LEU 83 CG -0.0061 0.0149 -0.0041 617 LEU 83 CD1 -0.0089 0.0123 -0.0044 618 LEU 83 CD2 -0.0059 0.0189 -0.0075 619 SER 84 N -0.0082 0.0098 -0.0016 620 SER 84 CA -0.0065 0.0085 0.0011 621 SER 84 C -0.0081 0.0039 0.0037 622 SER 84 O -0.0060 0.0027 0.0066 623 SER 84 CB -0.0065 0.0099 -0.0001 624 SER 84 OG -0.0088 0.0112 -0.0034 625 ASP 85 N -0.0101 0.0013 0.0039 626 ASP 85 CA -0.0094 -0.0039 0.0032 627 ASP 85 C -0.0058 -0.0055 0.0057 628 ASP 85 O -0.0042 -0.0078 0.0065 629 ASP 85 CB -0.0113 -0.0053 0.0013 630 ASP 85 CG -0.0150 -0.0047 -0.0016 631 ASP 85 OD1 -0.0158 -0.0053 -0.0024 632 ASP 85 OD2 -0.0176 -0.0053 -0.0038 633 LEU 86 N -0.0040 -0.0032 0.0078 634 LEU 86 CA -0.0006 -0.0044 0.0102 635 LEU 86 C 0.0018 -0.0043 0.0122 636 LEU 86 O 0.0043 -0.0068 0.0137 637 LEU 86 CB 0.0002 -0.0015 0.0116 638 LEU 86 CG 0.0033 -0.0022 0.0140 639 LEU 86 CD1 0.0042 -0.0060 0.0138 640 LEU 86 CD2 0.0053 0.0009 0.0164 641 HIS 87 N 0.0007 -0.0003 0.0124 642 HIS 87 CA 0.0035 0.0000 0.0147 643 HIS 87 C 0.0027 -0.0032 0.0132 644 HIS 87 O 0.0052 -0.0046 0.0149 645 HIS 87 CB 0.0028 0.0047 0.0153 646 HIS 87 CG 0.0049 0.0073 0.0177 647 HIS 87 ND1 0.0030 0.0090 0.0165 648 HIS 87 CD2 0.0077 0.0090 0.0204 649 HIS 87 CE1 0.0053 0.0109 0.0189 650 HIS 87 NE2 0.0081 0.0114 0.0213 651 ALA 88 N 0.0007 -0.0012 0.0120 652 ALA 88 CA -0.0008 -0.0040 0.0090 653 ALA 88 C 0.0025 -0.0088 0.0080 654 ALA 88 O 0.0026 -0.0104 0.0069 655 ALA 88 CB -0.0051 -0.0035 0.0062 656 HIS 89 N 0.0028 -0.0094 0.0078 657 HIS 89 CA 0.0048 -0.0135 0.0064 658 HIS 89 C 0.0089 -0.0153 0.0082 659 HIS 89 O 0.0114 -0.0188 0.0075 660 HIS 89 CB 0.0027 -0.0147 0.0040 661 HIS 89 CG -0.0014 -0.0142 0.0014 662 HIS 89 ND1 -0.0030 -0.0152 -0.0004 663 HIS 89 CD2 -0.0052 -0.0119 0.0003 664 HIS 89 CE1 -0.0071 -0.0136 -0.0023 665 HIS 89 NE2 -0.0075 -0.0123 -0.0017 666 LYS 90 N 0.0109 -0.0130 0.0112 667 LYS 90 CA 0.0146 -0.0134 0.0136 668 LYS 90 C 0.0174 -0.0122 0.0165 669 LYS 90 O 0.0195 -0.0140 0.0168 670 LYS 90 CB 0.0152 -0.0123 0.0148 671 LYS 90 CG 0.0135 -0.0154 0.0114 672 LYS 90 CD 0.0148 -0.0189 0.0099 673 LYS 90 CE 0.0138 -0.0196 0.0087 674 LYS 90 NZ 0.0158 -0.0265 0.0053 675 LEU 91 N 0.0134 -0.0042 0.0155 676 LEU 91 CA 0.0135 -0.0038 0.0166 677 LEU 91 C 0.0124 -0.0039 0.0157 678 LEU 91 O 0.0131 -0.0040 0.0157 679 LEU 91 CB 0.0126 -0.0028 0.0186 680 LEU 91 CG 0.0137 -0.0026 0.0197 681 LEU 91 CD1 0.0129 -0.0019 0.0212 682 LEU 91 CD2 0.0156 -0.0031 0.0200 683 ARG 92 N 0.0108 -0.0037 0.0149 684 ARG 92 CA 0.0096 -0.0038 0.0136 685 ARG 92 C 0.0091 -0.0034 0.0145 686 ARG 92 O 0.0092 -0.0036 0.0139 687 ARG 92 CB 0.0107 -0.0049 0.0118 688 ARG 92 CG 0.0105 -0.0052 0.0108 689 ARG 92 CD 0.0134 -0.0064 0.0099 690 ARG 92 NE 0.0117 -0.0063 0.0090 691 ARG 92 CZ 0.0148 -0.0077 0.0077 692 ARG 92 NH1 0.0161 -0.0074 0.0094 693 ARG 92 NH2 0.0143 -0.0080 0.0067 694 VAL 93 N 0.0085 -0.0026 0.0160 695 VAL 93 CA 0.0078 -0.0020 0.0171 696 VAL 93 C 0.0061 -0.0018 0.0163 697 VAL 93 O 0.0047 -0.0015 0.0159 698 VAL 93 CB 0.0076 -0.0012 0.0190 699 VAL 93 CG1 0.0068 -0.0005 0.0200 700 VAL 93 CG2 0.0095 -0.0014 0.0199 701 ASP 94 N 0.0058 0.0040 0.0122 702 ASP 94 CA 0.0052 0.0024 0.0120 703 ASP 94 C 0.0046 0.0017 0.0131 704 ASP 94 O 0.0048 0.0021 0.0130 705 ASP 94 CB 0.0054 0.0017 0.0104 706 ASP 94 CG 0.0048 0.0001 0.0103 707 ASP 94 OD1 0.0048 -0.0002 0.0099 708 ASP 94 OD2 0.0043 -0.0009 0.0107 709 PRO 95 N 0.0039 0.0006 0.0138 710 PRO 95 CA 0.0033 0.0001 0.0150 711 PRO 95 C 0.0033 -0.0006 0.0141 712 PRO 95 O 0.0030 -0.0008 0.0150 713 PRO 95 CB 0.0027 -0.0012 0.0155 714 PRO 95 CG 0.0028 -0.0005 0.0158 715 PRO 95 CD 0.0036 0.0002 0.0143 716 VAL 96 N 0.0036 -0.0012 0.0127 717 VAL 96 CA 0.0035 -0.0019 0.0120 718 VAL 96 C 0.0038 -0.0010 0.0121 719 VAL 96 O 0.0037 -0.0013 0.0121 720 VAL 96 CB 0.0037 -0.0026 0.0102 721 VAL 96 CG1 0.0043 -0.0018 0.0092 722 VAL 96 CG2 0.0035 -0.0033 0.0100 723 ASN 97 N 0.0040 -0.0025 0.0083 724 ASN 97 CA 0.0044 -0.0003 0.0066 725 ASN 97 C 0.0034 0.0008 0.0079 726 ASN 97 O 0.0040 0.0018 0.0064 727 ASN 97 CB 0.0040 0.0023 0.0062 728 ASN 97 CG 0.0050 0.0015 0.0047 729 ASN 97 OD1 0.0061 0.0015 0.0026 730 ASN 97 ND2 0.0043 0.0008 0.0063 731 PHE 98 N 0.0024 -0.0000 0.0102 732 PHE 98 CA 0.0016 0.0006 0.0115 733 PHE 98 C 0.0025 -0.0009 0.0104 734 PHE 98 O 0.0025 0.0003 0.0099 735 PHE 98 CB 0.0002 0.0002 0.0143 736 PHE 98 CG -0.0007 0.0019 0.0152 737 PHE 98 CD1 -0.0016 0.0041 0.0160 738 PHE 98 CD2 -0.0007 0.0015 0.0153 739 PHE 98 CE1 -0.0025 0.0057 0.0170 740 PHE 98 CE2 -0.0016 0.0036 0.0162 741 PHE 98 CZ -0.0024 0.0054 0.0169 742 LYS 99 N 0.0034 -0.0033 0.0097 743 LYS 99 CA 0.0045 -0.0047 0.0083 744 LYS 99 C 0.0055 -0.0038 0.0060 745 LYS 99 O 0.0057 -0.0036 0.0055 746 LYS 99 CB 0.0050 -0.0078 0.0086 747 LYS 99 CG 0.0044 -0.0089 0.0102 748 LYS 99 CD 0.0046 -0.0109 0.0107 749 LYS 99 CE 0.0056 -0.0128 0.0097 750 LYS 99 NZ 0.0048 -0.0163 0.0126 751 LEU 100 N 0.0018 -0.0033 0.0008 752 LEU 100 CA 0.0022 -0.0027 -0.0010 753 LEU 100 C 0.0017 -0.0013 -0.0012 754 LEU 100 O 0.0021 -0.0012 -0.0023 755 LEU 100 CB 0.0023 -0.0023 -0.0018 756 LEU 100 CG 0.0027 -0.0036 -0.0014 757 LEU 100 CD1 0.0028 -0.0029 -0.0023 758 LEU 100 CD2 0.0036 -0.0049 -0.0026 759 LEU 101 N 0.0009 -0.0001 -0.0001 760 LEU 101 CA 0.0004 0.0013 -0.0003 761 LEU 101 C 0.0004 0.0007 0.0003 762 LEU 101 O 0.0006 0.0011 -0.0005 763 LEU 101 CB -0.0005 0.0024 0.0010 764 LEU 101 CG -0.0011 0.0040 0.0010 765 LEU 101 CD1 -0.0008 0.0049 -0.0006 766 LEU 101 CD2 -0.0020 0.0051 0.0023 767 SER 102 N 0.0005 -0.0008 0.0016 768 SER 102 CA 0.0006 -0.0015 0.0021 769 SER 102 C 0.0015 -0.0022 0.0005 770 SER 102 O 0.0015 -0.0019 0.0002 771 SER 102 CB 0.0007 -0.0029 0.0035 772 SER 102 OG -0.0001 -0.0023 0.0051 773 HIS 103 N 0.0007 0.0009 0.0018 774 HIS 103 CA 0.0005 0.0006 0.0014 775 HIS 103 C 0.0008 0.0010 0.0016 776 HIS 103 O 0.0007 0.0008 0.0018 777 HIS 103 CB 0.0004 0.0002 0.0007 778 HIS 103 CG 0.0003 -0.0001 0.0003 779 HIS 103 ND1 0.0005 0.0002 -0.0004 780 HIS 103 CD2 -0.0001 -0.0007 0.0005 781 HIS 103 CE1 0.0002 -0.0003 -0.0005 782 HIS 103 NE2 -0.0001 -0.0008 0.0000 783 CYS 104 N 0.0012 0.0016 0.0013 784 CYS 104 CA 0.0015 0.0022 0.0012 785 CYS 104 C 0.0016 0.0024 0.0021 786 CYS 104 O 0.0016 0.0025 0.0021 787 CYS 104 CB 0.0019 0.0027 0.0007 788 CYS 104 SG 0.0019 0.0025 -0.0004 789 LEU 105 N 0.0015 0.0024 0.0026 790 LEU 105 CA 0.0016 0.0026 0.0034 791 LEU 105 C 0.0011 0.0020 0.0038 792 LEU 105 O 0.0012 0.0021 0.0041 793 LEU 105 CB 0.0017 0.0029 0.0039 794 LEU 105 CG 0.0020 0.0035 0.0041 795 LEU 105 CD1 0.0020 0.0036 0.0045 796 LEU 105 CD2 0.0023 0.0040 0.0044 797 LEU 106 N -0.0001 0.0001 0.0061 798 LEU 106 CA -0.0007 -0.0006 0.0064 799 LEU 106 C -0.0003 -0.0005 0.0058 800 LEU 106 O -0.0004 -0.0002 0.0064 801 LEU 106 CB -0.0013 -0.0021 0.0062 802 LEU 106 CG -0.0020 -0.0029 0.0068 803 LEU 106 CD1 -0.0024 -0.0042 0.0063 804 LEU 106 CD2 -0.0026 -0.0024 0.0083 805 VAL 107 N 0.0005 -0.0004 0.0045 806 VAL 107 CA 0.0010 -0.0001 0.0039 807 VAL 107 C 0.0014 0.0013 0.0044 808 VAL 107 O 0.0015 0.0015 0.0045 809 VAL 107 CB 0.0017 -0.0002 0.0024 810 VAL 107 CG1 0.0024 0.0004 0.0018 811 VAL 107 CG2 0.0013 -0.0017 0.0017 812 THR 108 N 0.0017 0.0022 0.0048 813 THR 108 CA 0.0021 0.0036 0.0054 814 THR 108 C 0.0015 0.0036 0.0065 815 THR 108 O 0.0017 0.0042 0.0068 816 THR 108 CB 0.0025 0.0045 0.0054 817 THR 108 OG1 0.0032 0.0045 0.0042 818 THR 108 CG2 0.0029 0.0058 0.0059 819 LEU 109 N 0.0022 0.0007 0.0092 820 LEU 109 CA 0.0017 0.0006 0.0104 821 LEU 109 C 0.0008 0.0002 0.0107 822 LEU 109 O 0.0008 0.0003 0.0117 823 LEU 109 CB 0.0012 0.0003 0.0104 824 LEU 109 CG 0.0020 0.0008 0.0105 825 LEU 109 CD1 0.0016 0.0005 0.0101 826 LEU 109 CD2 0.0028 0.0013 0.0109 827 ALA 110 N 0.0003 -0.0003 0.0098 828 ALA 110 CA -0.0005 -0.0006 0.0101 829 ALA 110 C -0.0002 -0.0004 0.0104 830 ALA 110 O -0.0005 -0.0005 0.0112 831 ALA 110 CB -0.0010 -0.0011 0.0089 832 ALA 111 N 0.0008 0.0000 0.0100 833 ALA 111 CA 0.0014 0.0004 0.0100 834 ALA 111 C 0.0017 0.0008 0.0114 835 ALA 111 O 0.0020 0.0010 0.0117 836 ALA 111 CB 0.0022 0.0007 0.0092 837 HIS 112 N 0.0001 -0.0010 0.0108 838 HIS 112 CA 0.0009 -0.0011 0.0120 839 HIS 112 C 0.0025 -0.0038 0.0144 840 HIS 112 O 0.0028 -0.0042 0.0149 841 HIS 112 CB 0.0020 0.0025 0.0133 842 HIS 112 CG 0.0006 0.0048 0.0112 843 HIS 112 ND1 0.0002 0.0047 0.0106 844 HIS 112 CD2 -0.0001 0.0073 0.0100 845 HIS 112 CE1 -0.0012 0.0077 0.0084 846 HIS 112 NE2 -0.0015 0.0090 0.0079 847 LEU 113 N 0.0031 -0.0052 0.0153 848 LEU 113 CA 0.0047 -0.0074 0.0177 849 LEU 113 C 0.0039 -0.0106 0.0168 850 LEU 113 O 0.0048 -0.0117 0.0181 851 LEU 113 CB 0.0061 -0.0068 0.0198 852 LEU 113 CG 0.0075 -0.0035 0.0216 853 LEU 113 CD1 0.0095 -0.0025 0.0244 854 LEU 113 CD2 0.0077 -0.0029 0.0218 855 PRO 114 N 0.0025 -0.0122 0.0148 856 PRO 114 CA 0.0015 -0.0154 0.0136 857 PRO 114 C 0.0032 -0.0181 0.0162 858 PRO 114 O 0.0035 -0.0191 0.0166 859 PRO 114 CB 0.0004 -0.0163 0.0121 860 PRO 114 CG 0.0008 -0.0146 0.0125 861 PRO 114 CD 0.0018 -0.0114 0.0138 862 ALA 115 N 0.0054 -0.0169 0.0237 863 ALA 115 CA 0.0051 -0.0179 0.0248 864 ALA 115 C 0.0059 -0.0166 0.0234 865 ALA 115 O 0.0052 -0.0167 0.0234 866 ALA 115 CB 0.0069 -0.0193 0.0268 867 GLU 116 N 0.0079 -0.0154 0.0222 868 GLU 116 CA 0.0095 -0.0142 0.0212 869 GLU 116 C 0.0082 -0.0124 0.0188 870 GLU 116 O 0.0090 -0.0115 0.0179 871 GLU 116 CB 0.0125 -0.0136 0.0209 872 GLU 116 CG 0.0144 -0.0151 0.0229 873 GLU 116 CD 0.0135 -0.0160 0.0239 874 GLU 116 OE1 0.0124 -0.0157 0.0234 875 GLU 116 OE2 0.0150 -0.0175 0.0259 876 PHE 117 N 0.0067 -0.0118 0.0179 877 PHE 117 CA 0.0053 -0.0103 0.0158 878 PHE 117 C 0.0027 -0.0103 0.0154 879 PHE 117 O 0.0008 -0.0098 0.0145 880 PHE 117 CB 0.0050 -0.0094 0.0147 881 PHE 117 CG 0.0048 -0.0073 0.0122 882 PHE 117 CD1 0.0072 -0.0063 0.0113 883 PHE 117 CD2 0.0022 -0.0069 0.0113 884 PHE 117 CE1 0.0069 -0.0045 0.0091 885 PHE 117 CE2 0.0019 -0.0049 0.0089 886 PHE 117 CZ 0.0044 -0.0039 0.0080 887 THR 118 N 0.0045 -0.0049 0.0119 888 THR 118 CA 0.0031 -0.0028 0.0118 889 THR 118 C 0.0028 -0.0024 0.0105 890 THR 118 O 0.0036 -0.0035 0.0090 891 THR 118 CB 0.0028 -0.0024 0.0104 892 THR 118 OG1 0.0032 -0.0029 0.0082 893 THR 118 CG2 0.0028 -0.0024 0.0121 894 PRO 119 N 0.0015 -0.0005 0.0100 895 PRO 119 CA 0.0011 0.0002 0.0085 896 PRO 119 C 0.0015 -0.0003 0.0062 897 PRO 119 O 0.0019 -0.0009 0.0047 898 PRO 119 CB -0.0004 0.0024 0.0089 899 PRO 119 CG -0.0006 0.0027 0.0114 900 PRO 119 CD 0.0005 0.0010 0.0119 901 ALA 120 N 0.0013 -0.0000 0.0052 902 ALA 120 CA 0.0016 -0.0004 0.0030 903 ALA 120 C 0.0031 -0.0027 0.0023 904 ALA 120 O 0.0036 -0.0034 0.0005 905 ALA 120 CB 0.0011 0.0004 0.0018 906 VAL 121 N 0.0009 -0.0066 0.0025 907 VAL 121 CA 0.0025 -0.0086 0.0023 908 VAL 121 C 0.0029 -0.0089 0.0021 909 VAL 121 O 0.0040 -0.0098 0.0007 910 VAL 121 CB 0.0033 -0.0100 0.0041 911 VAL 121 CG1 0.0051 -0.0122 0.0041 912 VAL 121 CG2 0.0034 -0.0100 0.0038 913 HIS 122 N 0.0020 -0.0082 0.0036 914 HIS 122 CA 0.0019 -0.0081 0.0036 915 HIS 122 C 0.0021 -0.0076 0.0010 916 HIS 122 O 0.0028 -0.0083 0.0001 917 HIS 122 CB 0.0006 -0.0071 0.0057 918 HIS 122 CG 0.0003 -0.0068 0.0058 919 HIS 122 ND1 -0.0008 -0.0061 0.0079 920 HIS 122 CD2 0.0010 -0.0074 0.0047 921 HIS 122 CE1 -0.0007 -0.0061 0.0076 922 HIS 122 NE2 0.0004 -0.0069 0.0057 923 ALA 123 N 0.0009 -0.0059 0.0002 924 ALA 123 CA 0.0007 -0.0050 -0.0021 925 ALA 123 C 0.0022 -0.0063 -0.0041 926 ALA 123 O 0.0028 -0.0066 -0.0057 927 ALA 123 CB -0.0007 -0.0031 -0.0028 928 SER 124 N -0.0004 -0.0119 -0.0031 929 SER 124 CA 0.0011 -0.0120 -0.0036 930 SER 124 C 0.0012 -0.0120 -0.0036 931 SER 124 O 0.0022 -0.0114 -0.0042 932 SER 124 CB 0.0021 -0.0133 -0.0033 933 SER 124 OG 0.0022 -0.0132 -0.0034 934 LEU 125 N 0.0002 -0.0128 -0.0029 935 LEU 125 CA 0.0004 -0.0129 -0.0029 936 LEU 125 C -0.0001 -0.0116 -0.0033 937 LEU 125 O 0.0004 -0.0112 -0.0037 938 LEU 125 CB -0.0005 -0.0140 -0.0022 939 LEU 125 CG -0.0001 -0.0157 -0.0016 940 LEU 125 CD1 -0.0012 -0.0166 -0.0009 941 LEU 125 CD2 0.0013 -0.0160 -0.0019 942 ASP 126 N -0.0013 -0.0106 -0.0033 943 ASP 126 CA -0.0019 -0.0092 -0.0037 944 ASP 126 C -0.0007 -0.0083 -0.0045 945 ASP 126 O -0.0003 -0.0074 -0.0050 946 ASP 126 CB -0.0032 -0.0086 -0.0035 947 ASP 126 CG -0.0042 -0.0072 -0.0038 948 ASP 126 OD1 -0.0042 -0.0073 -0.0037 949 ASP 126 OD2 -0.0042 -0.0061 -0.0043 950 LYS 127 N -0.0007 -0.0107 -0.0100 951 LYS 127 CA -0.0003 -0.0105 -0.0096 952 LYS 127 C 0.0003 -0.0097 -0.0093 953 LYS 127 O 0.0005 -0.0092 -0.0093 954 LYS 127 CB -0.0004 -0.0113 -0.0091 955 LYS 127 CG -0.0002 -0.0113 -0.0088 956 LYS 127 CD -0.0006 -0.0124 -0.0085 957 LYS 127 CE -0.0001 -0.0121 -0.0079 958 LYS 127 NZ -0.0001 -0.0128 -0.0073 959 PHE 128 N 0.0004 -0.0098 -0.0089 960 PHE 128 CA 0.0010 -0.0091 -0.0086 961 PHE 128 C 0.0010 -0.0083 -0.0092 962 PHE 128 O 0.0014 -0.0077 -0.0091 963 PHE 128 CB 0.0011 -0.0094 -0.0082 964 PHE 128 CG 0.0016 -0.0086 -0.0079 965 PHE 128 CD1 0.0021 -0.0083 -0.0073 966 PHE 128 CD2 0.0015 -0.0083 -0.0083 967 PHE 128 CE1 0.0026 -0.0076 -0.0071 968 PHE 128 CE2 0.0019 -0.0077 -0.0081 969 PHE 128 CZ 0.0024 -0.0075 -0.0075 970 LEU 129 N 0.0005 -0.0084 -0.0099 971 LEU 129 CA 0.0006 -0.0076 -0.0105 972 LEU 129 C 0.0005 -0.0073 -0.0109 973 LEU 129 O 0.0008 -0.0065 -0.0110 974 LEU 129 CB 0.0001 -0.0077 -0.0112 975 LEU 129 CG 0.0001 -0.0080 -0.0109 976 LEU 129 CD1 -0.0003 -0.0082 -0.0115 977 LEU 129 CD2 0.0007 -0.0071 -0.0107 978 ALA 130 N 0.0009 -0.0032 -0.0120 979 ALA 130 CA 0.0016 -0.0013 -0.0106 980 ALA 130 C 0.0030 -0.0002 -0.0094 981 ALA 130 O 0.0029 0.0017 -0.0083 982 ALA 130 CB 0.0030 -0.0017 -0.0104 983 SER 131 N 0.0047 -0.0016 -0.0098 984 SER 131 CA 0.0061 -0.0007 -0.0087 985 SER 131 C 0.0044 0.0001 -0.0087 986 SER 131 O 0.0051 0.0019 -0.0074 987 SER 131 CB 0.0081 -0.0026 -0.0092 988 SER 131 OG 0.0094 -0.0030 -0.0090 989 VAL 132 N 0.0031 -0.0011 -0.0100 990 VAL 132 CA 0.0016 -0.0002 -0.0099 991 VAL 132 C 0.0002 0.0018 -0.0091 992 VAL 132 O 0.0001 0.0035 -0.0080 993 VAL 132 CB 0.0001 -0.0016 -0.0113 994 VAL 132 CG1 -0.0020 -0.0009 -0.0115 995 VAL 132 CG2 0.0013 -0.0037 -0.0122 996 SER 133 N -0.0024 0.0060 -0.0043 997 SER 133 CA -0.0041 0.0077 0.0003 998 SER 133 C -0.0019 0.0101 0.0021 999 SER 133 O -0.0045 0.0101 0.0047 1000 SER 133 CB -0.0035 0.0091 0.0020 1001 SER 133 OG -0.0059 0.0070 0.0009 1002 THR 134 N 0.0020 0.0116 0.0008 1003 THR 134 CA 0.0036 0.0136 0.0026 1004 THR 134 C 0.0026 0.0123 0.0013 1005 THR 134 O 0.0018 0.0133 0.0037 1006 THR 134 CB 0.0083 0.0153 0.0007 1007 THR 134 OG1 0.0100 0.0172 0.0022 1008 THR 134 CG2 0.0111 0.0174 0.0015 1009 VAL 135 N 0.0020 0.0097 -0.0025 1010 VAL 135 CA 0.0008 0.0081 -0.0040 1011 VAL 135 C -0.0040 0.0065 -0.0019 1012 VAL 135 O -0.0050 0.0070 -0.0001 1013 VAL 135 CB 0.0012 0.0054 -0.0091 1014 VAL 135 CG1 -0.0013 0.0031 -0.0103 1015 VAL 135 CG2 0.0057 0.0067 -0.0113 1016 LEU 136 N -0.0036 0.0112 0.0021 1017 LEU 136 CA -0.0043 0.0093 0.0035 1018 LEU 136 C -0.0040 0.0078 0.0057 1019 LEU 136 O -0.0050 0.0059 0.0068 1020 LEU 136 CB -0.0035 0.0099 0.0037 1021 LEU 136 CG -0.0046 0.0104 0.0018 1022 LEU 136 CD1 -0.0032 0.0113 0.0024 1023 LEU 136 CD2 -0.0068 0.0095 0.0003 1024 THR 137 N -0.0025 0.0086 0.0064 1025 THR 137 CA -0.0018 0.0074 0.0089 1026 THR 137 C -0.0026 0.0070 0.0083 1027 THR 137 O -0.0023 0.0059 0.0101 1028 THR 137 CB 0.0011 0.0093 0.0100 1029 THR 137 OG1 0.0011 0.0086 0.0108 1030 THR 137 CG2 0.0015 0.0107 0.0087 1031 SER 138 N -0.0038 0.0074 0.0065 1032 SER 138 CA -0.0046 0.0072 0.0058 1033 SER 138 C -0.0060 0.0050 0.0067 1034 SER 138 O -0.0057 0.0049 0.0073 1035 SER 138 CB -0.0067 0.0079 0.0024 1036 SER 138 OG -0.0049 0.0090 0.0033 1037 LYS 139 N -0.0063 0.0045 0.0043 1038 LYS 139 CA -0.0065 0.0017 0.0029 1039 LYS 139 C -0.0048 0.0001 0.0040 1040 LYS 139 O -0.0045 -0.0020 0.0035 1041 LYS 139 CB -0.0067 0.0010 0.0025 1042 LYS 139 CG -0.0084 0.0026 0.0014 1043 LYS 139 CD -0.0083 0.0024 0.0014 1044 LYS 139 CE -0.0101 0.0035 0.0001 1045 LYS 139 NZ -0.0093 0.0031 0.0007 1046 TYR 140 N -0.0036 0.0009 0.0055 1047 TYR 140 CA -0.0020 -0.0005 0.0065 1048 TYR 140 C -0.0023 -0.0025 0.0055 1049 TYR 140 O -0.0010 -0.0047 0.0059 1050 TYR 140 CB -0.0006 0.0009 0.0084 1051 TYR 140 CG 0.0008 0.0016 0.0101 1052 TYR 140 CD1 0.0028 0.0016 0.0120 1053 TYR 140 CD2 0.0005 0.0026 0.0101 1054 TYR 140 CE1 0.0041 0.0023 0.0136 1055 TYR 140 CE2 0.0019 0.0035 0.0119 1056 TYR 140 CZ 0.0039 0.0032 0.0137 1057 TYR 140 OH 0.0049 0.0040 0.0151 1058 ARG 141 N -0.0039 -0.0020 0.0041 1059 ARG 141 CA -0.0045 -0.0037 0.0028 1060 ARG 141 C -0.0069 -0.0032 0.0007 1061 ARG 141 O -0.0076 -0.0011 0.0008 1062 ARG 141 CB -0.0033 -0.0040 0.0039 1063 ARG 141 CG -0.0039 -0.0011 0.0044 1064 ARG 141 CD -0.0028 -0.0020 0.0052 1065 ARG 141 NE -0.0032 0.0006 0.0058 1066 ARG 141 CZ -0.0028 0.0006 0.0062 1067 ARG 141 NH1 -0.0016 -0.0010 0.0067 1068 ARG 141 NH2 -0.0034 0.0031 0.0066 1069 ARG 141 OXT -0.0071 -0.0048 -0.0002 1070 VAL 1 N 0.0028 0.0150 0.0143 1071 VAL 1 CA 0.0026 0.0053 0.0109 1072 VAL 1 C 0.0078 -0.0005 0.0186 1073 VAL 1 O 0.0112 0.0024 0.0257 1074 VAL 1 CB -0.0017 0.0054 0.0031 1075 VAL 1 CG1 -0.0043 -0.0017 -0.0039 1076 VAL 1 CG2 -0.0023 0.0108 0.0037 1077 HIS 2 N 0.0071 -0.0045 0.0159 1078 HIS 2 CA 0.0108 -0.0073 0.0218 1079 HIS 2 C 0.0096 -0.0096 0.0188 1080 HIS 2 O 0.0076 -0.0152 0.0133 1081 HIS 2 CB 0.0110 -0.0193 0.0184 1082 HIS 2 CG 0.0124 -0.0233 0.0196 1083 HIS 2 ND1 0.0101 -0.0295 0.0134 1084 HIS 2 CD2 0.0186 -0.0241 0.0306 1085 HIS 2 CE1 0.0162 -0.0336 0.0233 1086 HIS 2 NE2 0.0201 -0.0298 0.0316 1087 LEU 3 N 0.0106 -0.0046 0.0224 1088 LEU 3 CA 0.0108 -0.0060 0.0221 1089 LEU 3 C 0.0153 -0.0071 0.0301 1090 LEU 3 O 0.0181 -0.0057 0.0356 1091 LEU 3 CB 0.0086 0.0045 0.0215 1092 LEU 3 CG 0.0038 0.0076 0.0138 1093 LEU 3 CD1 0.0027 0.0153 0.0142 1094 LEU 3 CD2 0.0020 0.0044 0.0095 1095 THR 4 N 0.0082 -0.0121 0.0284 1096 THR 4 CA 0.0142 -0.0077 0.0266 1097 THR 4 C 0.0196 -0.0009 0.0231 1098 THR 4 O 0.0179 0.0041 0.0195 1099 THR 4 CB 0.0045 -0.0088 0.0254 1100 THR 4 OG1 -0.0013 -0.0019 0.0196 1101 THR 4 CG2 -0.0034 -0.0157 0.0284 1102 PRO 5 N 0.0247 0.0035 0.0213 1103 PRO 5 CA 0.0310 0.0090 0.0188 1104 PRO 5 C 0.0247 0.0177 0.0118 1105 PRO 5 O 0.0282 0.0237 0.0085 1106 PRO 5 CB 0.0382 0.0124 0.0180 1107 PRO 5 CG 0.0368 0.0032 0.0239 1108 PRO 5 CD 0.0303 -0.0031 0.0268 1109 GLU 6 N 0.0162 0.0155 0.0115 1110 GLU 6 CA 0.0109 0.0222 0.0060 1111 GLU 6 C 0.0057 0.0228 0.0045 1112 GLU 6 O 0.0040 0.0313 -0.0015 1113 GLU 6 CB 0.0004 0.0202 0.0052 1114 GLU 6 CG -0.0040 0.0149 0.0078 1115 GLU 6 CD 0.0029 0.0064 0.0149 1116 GLU 6 OE1 0.0132 0.0123 0.0131 1117 GLU 6 OE2 0.0053 0.0013 0.0188 1118 GLU 7 N 0.0001 0.0110 0.0070 1119 GLU 7 CA 0.0001 0.0113 0.0066 1120 GLU 7 C 0.0043 0.0142 0.0057 1121 GLU 7 O 0.0043 0.0159 0.0029 1122 GLU 7 CB -0.0009 0.0096 0.0084 1123 GLU 7 CG -0.0058 0.0069 0.0084 1124 GLU 7 CD -0.0061 0.0052 0.0107 1125 GLU 7 OE1 -0.0094 0.0041 0.0095 1126 GLU 7 OE2 -0.0041 0.0041 0.0144 1127 LYS 8 N 0.0071 0.0141 0.0084 1128 LYS 8 CA 0.0107 0.0163 0.0082 1129 LYS 8 C 0.0112 0.0186 0.0048 1130 LYS 8 O 0.0131 0.0214 0.0021 1131 LYS 8 CB 0.0137 0.0154 0.0123 1132 LYS 8 CG 0.0159 0.0170 0.0118 1133 LYS 8 CD 0.0206 0.0181 0.0142 1134 LYS 8 CE 0.0238 0.0207 0.0130 1135 LYS 8 NZ 0.0280 0.0213 0.0159 1136 SER 9 N 0.0104 0.0189 0.0036 1137 SER 9 CA 0.0107 0.0206 0.0012 1138 SER 9 C 0.0085 0.0224 -0.0036 1139 SER 9 O 0.0100 0.0247 -0.0060 1140 SER 9 CB 0.0109 0.0207 0.0012 1141 SER 9 OG 0.0071 0.0202 -0.0014 1142 ALA 10 N -0.0015 0.0209 -0.0051 1143 ALA 10 CA -0.0014 0.0209 -0.0028 1144 ALA 10 C -0.0012 0.0178 -0.0007 1145 ALA 10 O -0.0011 0.0168 0.0008 1146 ALA 10 CB -0.0014 0.0230 -0.0009 1147 VAL 11 N -0.0011 0.0166 -0.0008 1148 VAL 11 CA -0.0009 0.0138 0.0005 1149 VAL 11 C -0.0009 0.0116 -0.0006 1150 VAL 11 O -0.0008 0.0100 0.0011 1151 VAL 11 CB -0.0009 0.0134 0.0002 1152 VAL 11 CG1 -0.0008 0.0104 0.0009 1153 VAL 11 CG2 -0.0009 0.0153 0.0023 1154 THR 12 N -0.0010 0.0115 -0.0033 1155 THR 12 CA -0.0010 0.0092 -0.0052 1156 THR 12 C -0.0010 0.0092 -0.0047 1157 THR 12 O -0.0009 0.0074 -0.0040 1158 THR 12 CB -0.0012 0.0093 -0.0088 1159 THR 12 OG1 -0.0011 0.0087 -0.0086 1160 THR 12 CG2 -0.0012 0.0098 -0.0092 1161 ALA 13 N -0.0019 0.0035 -0.0172 1162 ALA 13 CA -0.0017 0.0038 -0.0154 1163 ALA 13 C -0.0017 0.0030 -0.0120 1164 ALA 13 O -0.0022 0.0011 -0.0107 1165 ALA 13 CB -0.0005 0.0078 -0.0157 1166 LEU 14 N -0.0011 0.0041 -0.0095 1167 LEU 14 CA -0.0014 0.0025 -0.0061 1168 LEU 14 C -0.0024 -0.0010 -0.0059 1169 LEU 14 O -0.0027 -0.0027 -0.0036 1170 LEU 14 CB -0.0005 0.0048 -0.0043 1171 LEU 14 CG -0.0002 0.0048 -0.0005 1172 LEU 14 CD1 0.0001 0.0057 0.0008 1173 LEU 14 CD2 0.0000 0.0053 0.0008 1174 TRP 15 N -0.0029 -0.0022 -0.0081 1175 TRP 15 CA -0.0040 -0.0057 -0.0078 1176 TRP 15 C -0.0047 -0.0080 -0.0084 1177 TRP 15 O -0.0054 -0.0107 -0.0068 1178 TRP 15 CB -0.0043 -0.0063 -0.0100 1179 TRP 15 CG -0.0053 -0.0099 -0.0091 1180 TRP 15 CD1 -0.0063 -0.0126 -0.0105 1181 TRP 15 CD2 -0.0052 -0.0102 -0.0064 1182 TRP 15 NE1 -0.0069 -0.0151 -0.0092 1183 TRP 15 CE2 -0.0063 -0.0138 -0.0061 1184 TRP 15 CE3 -0.0044 -0.0081 -0.0038 1185 TRP 15 CZ2 -0.0064 -0.0150 -0.0036 1186 TRP 15 CZ3 -0.0046 -0.0096 -0.0013 1187 TRP 15 CH2 -0.0056 -0.0128 -0.0017 1188 GLY 16 N -0.0037 -0.0186 -0.0189 1189 GLY 16 CA -0.0041 -0.0216 -0.0208 1190 GLY 16 C -0.0034 -0.0227 -0.0183 1191 GLY 16 O -0.0034 -0.0259 -0.0190 1192 LYS 17 N -0.0027 -0.0208 -0.0153 1193 LYS 17 CA -0.0019 -0.0216 -0.0127 1194 LYS 17 C -0.0010 -0.0234 -0.0095 1195 LYS 17 O -0.0002 -0.0251 -0.0067 1196 LYS 17 CB -0.0015 -0.0182 -0.0106 1197 LYS 17 CG -0.0026 -0.0156 -0.0143 1198 LYS 17 CD -0.0025 -0.0125 -0.0132 1199 LYS 17 CE -0.0035 -0.0093 -0.0166 1200 LYS 17 NZ -0.0027 -0.0076 -0.0135 1201 VAL 18 N -0.0008 -0.0248 -0.0087 1202 VAL 18 CA 0.0002 -0.0263 -0.0055 1203 VAL 18 C 0.0003 -0.0309 -0.0057 1204 VAL 18 O -0.0003 -0.0329 -0.0085 1205 VAL 18 CB 0.0001 -0.0254 -0.0058 1206 VAL 18 CG1 0.0009 -0.0276 -0.0029 1207 VAL 18 CG2 0.0004 -0.0208 -0.0037 1208 ASN 19 N -0.0048 -0.0386 -0.0085 1209 ASN 19 CA -0.0050 -0.0391 -0.0084 1210 ASN 19 C -0.0029 -0.0338 -0.0088 1211 ASN 19 O 0.0018 -0.0328 -0.0093 1212 ASN 19 CB -0.0008 -0.0431 -0.0086 1213 ASN 19 CG 0.0000 -0.0424 -0.0087 1214 ASN 19 OD1 -0.0013 -0.0399 -0.0087 1215 ASN 19 ND2 0.0012 -0.0478 -0.0085 1216 VAL 20 N -0.0063 -0.0311 -0.0087 1217 VAL 20 CA -0.0054 -0.0255 -0.0091 1218 VAL 20 C -0.0019 -0.0251 -0.0093 1219 VAL 20 O 0.0024 -0.0222 -0.0098 1220 VAL 20 CB -0.0106 -0.0231 -0.0088 1221 VAL 20 CG1 -0.0091 -0.0177 -0.0091 1222 VAL 20 CG2 -0.0138 -0.0228 -0.0085 1223 ASP 21 N -0.0006 -0.0279 -0.0093 1224 ASP 21 CA 0.0031 -0.0274 -0.0096 1225 ASP 21 C 0.0077 -0.0293 -0.0099 1226 ASP 21 O 0.0115 -0.0262 -0.0103 1227 ASP 21 CB 0.0015 -0.0310 -0.0093 1228 ASP 21 CG -0.0036 -0.0291 -0.0090 1229 ASP 21 OD1 -0.0038 -0.0246 -0.0092 1230 ASP 21 OD2 -0.0027 -0.0323 -0.0089 1231 GLU 22 N -0.0011 -0.0299 -0.0075 1232 GLU 22 CA 0.0049 -0.0321 -0.0080 1233 GLU 22 C 0.0070 -0.0271 -0.0078 1234 GLU 22 O 0.0117 -0.0253 -0.0080 1235 GLU 22 CB 0.0030 -0.0375 -0.0082 1236 GLU 22 CG 0.0072 -0.0391 -0.0085 1237 GLU 22 CD 0.0094 -0.0437 -0.0089 1238 GLU 22 OE1 0.0021 -0.0442 -0.0085 1239 GLU 22 OE2 0.0051 -0.0503 -0.0090 1240 VAL 23 N 0.0023 -0.0255 -0.0075 1241 VAL 23 CA 0.0034 -0.0211 -0.0073 1242 VAL 23 C 0.0051 -0.0149 -0.0070 1243 VAL 23 O 0.0091 -0.0116 -0.0071 1244 VAL 23 CB -0.0019 -0.0202 -0.0070 1245 VAL 23 CG1 -0.0010 -0.0149 -0.0067 1246 VAL 23 CG2 -0.0016 -0.0265 -0.0073 1247 GLY 24 N 0.0025 -0.0137 -0.0068 1248 GLY 24 CA 0.0042 -0.0088 -0.0066 1249 GLY 24 C 0.0103 -0.0081 -0.0069 1250 GLY 24 O 0.0140 -0.0042 -0.0069 1251 GLY 25 N 0.0035 -0.0095 -0.0045 1252 GLY 25 CA 0.0064 -0.0107 -0.0032 1253 GLY 25 C 0.0081 -0.0091 -0.0019 1254 GLY 25 O 0.0104 -0.0081 -0.0005 1255 GLU 26 N 0.0070 -0.0091 -0.0025 1256 GLU 26 CA 0.0083 -0.0079 -0.0015 1257 GLU 26 C 0.0084 -0.0041 -0.0006 1258 GLU 26 O 0.0108 -0.0032 0.0008 1259 GLU 26 CB 0.0068 -0.0086 -0.0025 1260 GLU 26 CG 0.0090 -0.0089 -0.0014 1261 GLU 26 CD 0.0109 -0.0096 -0.0005 1262 GLU 26 OE1 0.0069 -0.0066 -0.0020 1263 GLU 26 OE2 0.0060 -0.0108 -0.0034 1264 ALA 27 N 0.0060 -0.0028 -0.0016 1265 ALA 27 CA 0.0062 0.0007 -0.0007 1266 ALA 27 C 0.0080 0.0018 0.0006 1267 ALA 27 O 0.0095 0.0040 0.0018 1268 ALA 27 CB 0.0032 0.0019 -0.0020 1269 LEU 28 N -0.0006 0.0032 -0.0026 1270 LEU 28 CA -0.0006 0.0035 -0.0027 1271 LEU 28 C 0.0006 0.0034 -0.0023 1272 LEU 28 O 0.0014 0.0040 -0.0024 1273 LEU 28 CB -0.0020 0.0034 -0.0031 1274 LEU 28 CG -0.0017 0.0043 -0.0036 1275 LEU 28 CD1 -0.0019 0.0055 -0.0044 1276 LEU 28 CD2 -0.0030 0.0036 -0.0036 1277 GLY 29 N 0.0009 0.0022 -0.0014 1278 GLY 29 CA 0.0020 0.0019 -0.0009 1279 GLY 29 C 0.0034 0.0026 -0.0009 1280 GLY 29 O 0.0043 0.0030 -0.0009 1281 ARG 30 N 0.0035 0.0027 -0.0009 1282 ARG 30 CA 0.0049 0.0033 -0.0009 1283 ARG 30 C 0.0049 0.0047 -0.0018 1284 ARG 30 O 0.0061 0.0052 -0.0017 1285 ARG 30 CB 0.0049 0.0031 -0.0008 1286 ARG 30 CG 0.0055 0.0020 0.0001 1287 ARG 30 CD 0.0055 0.0020 0.0001 1288 ARG 30 NE 0.0056 0.0008 0.0009 1289 ARG 30 CZ 0.0066 0.0004 0.0015 1290 ARG 30 NH1 0.0078 0.0012 0.0014 1291 ARG 30 NH2 0.0068 -0.0007 0.0023 1292 LEU 31 N 0.0037 0.0140 0.0009 1293 LEU 31 CA 0.0036 0.0137 -0.0002 1294 LEU 31 C 0.0029 0.0139 -0.0007 1295 LEU 31 O 0.0029 0.0136 -0.0016 1296 LEU 31 CB 0.0034 0.0137 -0.0004 1297 LEU 31 CG 0.0032 0.0135 -0.0016 1298 LEU 31 CD1 0.0042 0.0131 -0.0020 1299 LEU 31 CD2 0.0026 0.0137 -0.0016 1300 LEU 32 N 0.0019 0.0143 -0.0004 1301 LEU 32 CA 0.0011 0.0144 -0.0010 1302 LEU 32 C 0.0012 0.0144 -0.0010 1303 LEU 32 O 0.0008 0.0144 -0.0017 1304 LEU 32 CB 0.0000 0.0150 -0.0005 1305 LEU 32 CG -0.0004 0.0151 -0.0008 1306 LEU 32 CD1 -0.0001 0.0148 -0.0012 1307 LEU 32 CD2 -0.0013 0.0155 -0.0001 1308 VAL 33 N 0.0018 0.0144 -0.0002 1309 VAL 33 CA 0.0021 0.0143 -0.0001 1310 VAL 33 C 0.0030 0.0138 -0.0009 1311 VAL 33 O 0.0029 0.0137 -0.0014 1312 VAL 33 CB 0.0024 0.0144 0.0010 1313 VAL 33 CG1 0.0028 0.0143 0.0011 1314 VAL 33 CG2 0.0015 0.0149 0.0016 1315 VAL 34 N -0.0014 0.0099 0.0004 1316 VAL 34 CA -0.0007 0.0084 -0.0004 1317 VAL 34 C -0.0007 0.0091 -0.0014 1318 VAL 34 O -0.0002 0.0084 -0.0027 1319 VAL 34 CB -0.0007 0.0072 0.0012 1320 VAL 34 CG1 0.0000 0.0057 0.0006 1321 VAL 34 CG2 -0.0006 0.0066 0.0020 1322 TYR 35 N -0.0014 0.0105 -0.0007 1323 TYR 35 CA -0.0015 0.0112 -0.0015 1324 TYR 35 C -0.0020 0.0133 -0.0021 1325 TYR 35 O -0.0026 0.0142 -0.0010 1326 TYR 35 CB -0.0017 0.0111 -0.0001 1327 TYR 35 CG -0.0012 0.0092 0.0006 1328 TYR 35 CD1 -0.0005 0.0078 -0.0006 1329 TYR 35 CD2 -0.0013 0.0084 0.0023 1330 TYR 35 CE1 -0.0000 0.0061 0.0001 1331 TYR 35 CE2 -0.0009 0.0068 0.0027 1332 TYR 35 CZ -0.0003 0.0056 0.0018 1333 TYR 35 OH 0.0003 0.0037 0.0024 1334 PRO 36 N -0.0018 0.0136 -0.0034 1335 PRO 36 CA -0.0023 0.0153 -0.0039 1336 PRO 36 C -0.0027 0.0166 -0.0042 1337 PRO 36 O -0.0033 0.0182 -0.0040 1338 PRO 36 CB -0.0020 0.0153 -0.0056 1339 PRO 36 CG -0.0012 0.0137 -0.0062 1340 PRO 36 CD -0.0012 0.0126 -0.0048 1341 TRP 37 N -0.0056 0.0151 -0.0056 1342 TRP 37 CA -0.0055 0.0144 -0.0056 1343 TRP 37 C -0.0042 0.0145 -0.0051 1344 TRP 37 O -0.0041 0.0142 -0.0051 1345 TRP 37 CB -0.0055 0.0129 -0.0059 1346 TRP 37 CG -0.0046 0.0123 -0.0056 1347 TRP 37 CD1 -0.0033 0.0116 -0.0053 1348 TRP 37 CD2 -0.0047 0.0123 -0.0057 1349 TRP 37 NE1 -0.0029 0.0114 -0.0052 1350 TRP 37 CE2 -0.0035 0.0117 -0.0054 1351 TRP 37 CE3 -0.0057 0.0130 -0.0060 1352 TRP 37 CZ2 -0.0033 0.0115 -0.0053 1353 TRP 37 CZ3 -0.0054 0.0126 -0.0059 1354 TRP 37 CH2 -0.0044 0.0120 -0.0056 1355 THR 38 N -0.0033 0.0153 -0.0046 1356 THR 38 CA -0.0021 0.0157 -0.0041 1357 THR 38 C -0.0025 0.0166 -0.0041 1358 THR 38 O -0.0016 0.0170 -0.0037 1359 THR 38 CB -0.0010 0.0162 -0.0036 1360 THR 38 OG1 -0.0016 0.0172 -0.0037 1361 THR 38 CG2 -0.0008 0.0150 -0.0037 1362 GLN 39 N -0.0035 0.0173 -0.0044 1363 GLN 39 CA -0.0042 0.0184 -0.0045 1364 GLN 39 C -0.0043 0.0178 -0.0046 1365 GLN 39 O -0.0043 0.0186 -0.0045 1366 GLN 39 CB -0.0054 0.0192 -0.0048 1367 GLN 39 CG -0.0053 0.0199 -0.0046 1368 GLN 39 CD -0.0066 0.0207 -0.0050 1369 GLN 39 OE1 -0.0074 0.0207 -0.0053 1370 GLN 39 NE2 -0.0066 0.0211 -0.0049 1371 ARG 40 N -0.0105 0.0057 -0.0129 1372 ARG 40 CA -0.0093 0.0051 -0.0115 1373 ARG 40 C -0.0078 0.0049 -0.0122 1374 ARG 40 O -0.0065 0.0044 -0.0114 1375 ARG 40 CB -0.0102 0.0050 -0.0100 1376 ARG 40 CG -0.0104 0.0050 -0.0098 1377 ARG 40 CD -0.0117 0.0049 -0.0081 1378 ARG 40 NE -0.0112 0.0045 -0.0068 1379 ARG 40 CZ -0.0099 0.0039 -0.0057 1380 ARG 40 NH1 -0.0095 0.0039 -0.0062 1381 ARG 40 NH2 -0.0099 0.0035 -0.0042 1382 PHE 41 N -0.0077 0.0050 -0.0131 1383 PHE 41 CA -0.0063 0.0047 -0.0132 1384 PHE 41 C -0.0050 0.0048 -0.0149 1385 PHE 41 O -0.0040 0.0046 -0.0150 1386 PHE 41 CB -0.0072 0.0051 -0.0140 1387 PHE 41 CG -0.0082 0.0051 -0.0126 1388 PHE 41 CD1 -0.0100 0.0055 -0.0127 1389 PHE 41 CD2 -0.0074 0.0045 -0.0110 1390 PHE 41 CE1 -0.0109 0.0055 -0.0113 1391 PHE 41 CE2 -0.0087 0.0045 -0.0098 1392 PHE 41 CZ -0.0104 0.0050 -0.0100 1393 PHE 42 N -0.0056 0.0051 -0.0156 1394 PHE 42 CA -0.0051 0.0054 -0.0173 1395 PHE 42 C -0.0044 0.0053 -0.0175 1396 PHE 42 O -0.0041 0.0055 -0.0188 1397 PHE 42 CB -0.0064 0.0060 -0.0186 1398 PHE 42 CG -0.0068 0.0061 -0.0187 1399 PHE 42 CD1 -0.0088 0.0065 -0.0182 1400 PHE 42 CD2 -0.0061 0.0061 -0.0192 1401 PHE 42 CE1 -0.0090 0.0066 -0.0182 1402 PHE 42 CE2 -0.0065 0.0062 -0.0191 1403 PHE 42 CZ -0.0083 0.0065 -0.0186 1404 GLU 43 N -0.0090 -0.0031 -0.0169 1405 GLU 43 CA -0.0117 -0.0052 -0.0114 1406 GLU 43 C -0.0132 -0.0107 -0.0120 1407 GLU 43 O -0.0143 -0.0116 -0.0095 1408 GLU 43 CB -0.0125 -0.0070 -0.0108 1409 GLU 43 CG -0.0136 -0.0125 -0.0123 1410 GLU 43 CD -0.0158 -0.0130 -0.0069 1411 GLU 43 OE1 -0.0160 -0.0107 -0.0043 1412 GLU 43 OE2 -0.0155 -0.0177 -0.0114 1413 SER 44 N -0.0115 -0.0121 -0.0176 1414 SER 44 CA -0.0121 -0.0157 -0.0188 1415 SER 44 C -0.0126 -0.0128 -0.0152 1416 SER 44 O -0.0118 -0.0137 -0.0180 1417 SER 44 CB -0.0106 -0.0172 -0.0243 1418 SER 44 OG -0.0086 -0.0161 -0.0287 1419 PHE 45 N -0.0102 -0.0068 -0.0166 1420 PHE 45 CA -0.0093 -0.0030 -0.0162 1421 PHE 45 C -0.0112 -0.0026 -0.0107 1422 PHE 45 O -0.0105 0.0007 -0.0098 1423 PHE 45 CB -0.0068 0.0026 -0.0183 1424 PHE 45 CG -0.0042 0.0030 -0.0249 1425 PHE 45 CD1 -0.0022 0.0082 -0.0261 1426 PHE 45 CD2 -0.0038 0.0002 -0.0282 1427 PHE 45 CE1 0.0003 0.0083 -0.0326 1428 PHE 45 CE2 -0.0021 -0.0011 -0.0338 1429 PHE 45 CZ -0.0000 0.0046 -0.0348 1430 GLY 46 N -0.0135 -0.0078 -0.0070 1431 GLY 46 CA -0.0102 -0.0124 -0.0012 1432 GLY 46 C -0.0042 -0.0077 0.0039 1433 GLY 46 O -0.0019 -0.0000 0.0033 1434 ASP 47 N -0.0030 -0.0108 0.0066 1435 ASP 47 CA 0.0037 -0.0071 0.0129 1436 ASP 47 C 0.0039 -0.0005 0.0103 1437 ASP 47 O -0.0000 -0.0018 0.0063 1438 ASP 47 CB 0.0038 -0.0140 0.0159 1439 ASP 47 CG 0.0094 -0.0132 0.0222 1440 ASP 47 OD1 0.0114 -0.0160 0.0257 1441 ASP 47 OD2 0.0144 -0.0039 0.0242 1442 LEU 48 N 0.0066 0.0068 0.0105 1443 LEU 48 CA 0.0079 0.0151 0.0085 1444 LEU 48 C 0.0143 0.0182 0.0148 1445 LEU 48 O 0.0160 0.0248 0.0140 1446 LEU 48 CB 0.0047 0.0194 0.0030 1447 LEU 48 CG -0.0012 0.0167 -0.0029 1448 LEU 48 CD1 -0.0039 0.0224 -0.0084 1449 LEU 48 CD2 -0.0044 0.0148 -0.0058 1450 SER 49 N 0.0309 0.0163 0.0305 1451 SER 49 CA 0.0356 0.0228 0.0388 1452 SER 49 C 0.0348 0.0188 0.0354 1453 SER 49 O 0.0353 0.0287 0.0426 1454 SER 49 CB 0.0467 0.0136 0.0420 1455 SER 49 OG 0.0450 0.0039 0.0339 1456 THR 50 N 0.0284 0.0186 0.0298 1457 THR 50 CA 0.0237 0.0201 0.0269 1458 THR 50 C 0.0136 0.0214 0.0192 1459 THR 50 O 0.0114 0.0180 0.0149 1460 THR 50 CB 0.0291 0.0128 0.0264 1461 THR 50 OG1 0.0272 0.0044 0.0191 1462 THR 50 CG2 0.0398 0.0092 0.0331 1463 PRO 51 N 0.0095 0.0242 0.0175 1464 PRO 51 CA 0.0002 0.0263 0.0111 1465 PRO 51 C -0.0013 0.0172 0.0036 1466 PRO 51 O -0.0066 0.0146 -0.0027 1467 PRO 51 CB -0.0033 0.0305 0.0109 1468 PRO 51 CG 0.0023 0.0366 0.0199 1469 PRO 51 CD 0.0111 0.0309 0.0235 1470 ASP 52 N 0.0083 0.0163 0.0065 1471 ASP 52 CA 0.0076 0.0118 0.0041 1472 ASP 52 C 0.0072 0.0085 0.0024 1473 ASP 52 O 0.0054 0.0059 -0.0012 1474 ASP 52 CB 0.0099 0.0089 0.0067 1475 ASP 52 CG 0.0087 0.0106 0.0053 1476 ASP 52 OD1 0.0067 0.0136 0.0033 1477 ASP 52 OD2 0.0110 0.0122 0.0095 1478 ALA 53 N 0.0093 0.0082 0.0055 1479 ALA 53 CA 0.0092 0.0050 0.0044 1480 ALA 53 C 0.0064 0.0061 0.0004 1481 ALA 53 O 0.0048 0.0044 -0.0026 1482 ALA 53 CB 0.0116 0.0048 0.0079 1483 VAL 54 N 0.0054 0.0117 0.0007 1484 VAL 54 CA 0.0028 0.0143 -0.0025 1485 VAL 54 C 0.0005 0.0135 -0.0062 1486 VAL 54 O -0.0016 0.0119 -0.0100 1487 VAL 54 CB 0.0026 0.0205 -0.0007 1488 VAL 54 CG1 -0.0005 0.0227 -0.0048 1489 VAL 54 CG2 0.0051 0.0215 0.0035 1490 MET 55 N -0.0010 0.0096 -0.0078 1491 MET 55 CA 0.0003 0.0106 -0.0084 1492 MET 55 C 0.0006 0.0109 -0.0086 1493 MET 55 O 0.0019 0.0114 -0.0093 1494 MET 55 CB 0.0002 0.0124 -0.0080 1495 MET 55 CG -0.0001 0.0123 -0.0079 1496 MET 55 SD 0.0014 0.0113 -0.0089 1497 MET 55 CE 0.0029 0.0125 -0.0096 1498 GLY 56 N -0.0005 0.0108 -0.0079 1499 GLY 56 CA -0.0001 0.0111 -0.0081 1500 GLY 56 C -0.0004 0.0094 -0.0082 1501 GLY 56 O 0.0002 0.0093 -0.0086 1502 ASN 57 N -0.0000 0.0080 -0.0087 1503 ASN 57 CA -0.0001 0.0064 -0.0089 1504 ASN 57 C 0.0014 0.0062 -0.0099 1505 ASN 57 O 0.0026 0.0062 -0.0106 1506 ASN 57 CB -0.0006 0.0050 -0.0089 1507 ASN 57 CG -0.0005 0.0032 -0.0093 1508 ASN 57 OD1 0.0004 0.0028 -0.0099 1509 ASN 57 ND2 -0.0018 0.0025 -0.0087 1510 PRO 58 N -0.0008 0.0090 -0.0144 1511 PRO 58 CA 0.0004 0.0085 -0.0158 1512 PRO 58 C 0.0012 0.0073 -0.0174 1513 PRO 58 O 0.0026 0.0076 -0.0187 1514 PRO 58 CB -0.0005 0.0080 -0.0152 1515 PRO 58 CG -0.0018 0.0079 -0.0139 1516 PRO 58 CD -0.0027 0.0083 -0.0128 1517 LYS 59 N 0.0001 0.0058 -0.0172 1518 LYS 59 CA 0.0008 0.0042 -0.0187 1519 LYS 59 C 0.0018 0.0051 -0.0193 1520 LYS 59 O 0.0032 0.0049 -0.0208 1521 LYS 59 CB -0.0005 0.0025 -0.0184 1522 LYS 59 CG -0.0010 0.0011 -0.0186 1523 LYS 59 CD -0.0022 0.0009 -0.0175 1524 LYS 59 CE -0.0024 -0.0013 -0.0185 1525 LYS 59 NZ -0.0043 -0.0022 -0.0170 1526 VAL 60 N 0.0014 0.0064 -0.0182 1527 VAL 60 CA 0.0024 0.0076 -0.0185 1528 VAL 60 C 0.0040 0.0086 -0.0196 1529 VAL 60 O 0.0054 0.0091 -0.0208 1530 VAL 60 CB 0.0017 0.0086 -0.0172 1531 VAL 60 CG1 0.0029 0.0103 -0.0175 1532 VAL 60 CG2 0.0002 0.0073 -0.0164 1533 LYS 61 N 0.0068 0.0069 -0.0192 1534 LYS 61 CA 0.0074 0.0071 -0.0189 1535 LYS 61 C 0.0091 0.0074 -0.0177 1536 LYS 61 O 0.0095 0.0066 -0.0166 1537 LYS 61 CB 0.0077 0.0087 -0.0201 1538 LYS 61 CG 0.0064 0.0087 -0.0211 1539 LYS 61 CD 0.0066 0.0107 -0.0228 1540 LYS 61 CE 0.0052 0.0102 -0.0236 1541 LYS 61 NZ 0.0054 0.0120 -0.0250 1542 ALA 62 N 0.0100 0.0079 -0.0174 1543 ALA 62 CA 0.0115 0.0079 -0.0161 1544 ALA 62 C 0.0114 0.0063 -0.0147 1545 ALA 62 O 0.0123 0.0061 -0.0138 1546 ALA 62 CB 0.0124 0.0088 -0.0162 1547 HIS 63 N 0.0105 0.0057 -0.0149 1548 HIS 63 CA 0.0103 0.0041 -0.0137 1549 HIS 63 C 0.0096 0.0031 -0.0134 1550 HIS 63 O 0.0104 0.0025 -0.0121 1551 HIS 63 CB 0.0095 0.0034 -0.0137 1552 HIS 63 CG 0.0095 0.0020 -0.0125 1553 HIS 63 ND1 0.0111 0.0020 -0.0111 1554 HIS 63 CD2 0.0085 0.0005 -0.0120 1555 HIS 63 CE1 0.0106 0.0003 -0.0100 1556 HIS 63 NE2 0.0093 -0.0003 -0.0106 1557 GLY 64 N 0.0101 0.0001 -0.0134 1558 GLY 64 CA 0.0064 -0.0031 -0.0128 1559 GLY 64 C 0.0065 -0.0034 -0.0107 1560 GLY 64 O 0.0052 -0.0051 -0.0081 1561 LYS 65 N 0.0096 -0.0005 -0.0123 1562 LYS 65 CA 0.0109 0.0001 -0.0102 1563 LYS 65 C 0.0123 0.0002 -0.0050 1564 LYS 65 O 0.0117 -0.0008 -0.0027 1565 LYS 65 CB 0.0141 0.0035 -0.0137 1566 LYS 65 CG 0.0156 0.0045 -0.0128 1567 LYS 65 CD 0.0194 0.0088 -0.0181 1568 LYS 65 CE 0.0210 0.0083 -0.0097 1569 LYS 65 NZ 0.0272 0.0142 -0.0139 1570 LYS 66 N 0.0144 0.0015 -0.0035 1571 LYS 66 CA 0.0158 0.0018 0.0006 1572 LYS 66 C 0.0126 -0.0016 0.0047 1573 LYS 66 O 0.0128 -0.0023 0.0087 1574 LYS 66 CB 0.0190 0.0041 0.0022 1575 LYS 66 CG 0.0207 0.0045 0.0069 1576 LYS 66 CD 0.0241 0.0072 0.0072 1577 LYS 66 CE 0.0282 0.0097 0.0114 1578 LYS 66 NZ 0.0314 0.0118 0.0140 1579 VAL 67 N 0.0069 0.0003 -0.0018 1580 VAL 67 CA 0.0050 0.0010 -0.0007 1581 VAL 67 C 0.0026 -0.0007 -0.0010 1582 VAL 67 O 0.0002 0.0000 0.0002 1583 VAL 67 CB 0.0070 0.0017 -0.0009 1584 VAL 67 CG1 0.0056 0.0015 -0.0005 1585 VAL 67 CG2 0.0095 0.0034 -0.0005 1586 LEU 68 N 0.0027 -0.0029 -0.0025 1587 LEU 68 CA 0.0002 -0.0045 -0.0028 1588 LEU 68 C -0.0021 -0.0047 -0.0022 1589 LEU 68 O -0.0047 -0.0055 -0.0019 1590 LEU 68 CB 0.0007 -0.0067 -0.0045 1591 LEU 68 CG -0.0004 -0.0077 -0.0048 1592 LEU 68 CD1 -0.0020 -0.0097 -0.0056 1593 LEU 68 CD2 -0.0004 -0.0064 -0.0039 1594 GLY 69 N -0.0013 -0.0046 -0.0024 1595 GLY 69 CA -0.0029 -0.0047 -0.0019 1596 GLY 69 C -0.0050 -0.0027 0.0000 1597 GLY 69 O -0.0072 -0.0030 0.0006 1598 ALA 70 N -0.0021 0.0013 -0.0005 1599 ALA 70 CA -0.0037 0.0038 0.0006 1600 ALA 70 C -0.0053 0.0035 0.0009 1601 ALA 70 O -0.0080 0.0043 0.0018 1602 ALA 70 CB -0.0018 0.0068 0.0011 1603 PHE 71 N -0.0033 0.0025 0.0001 1604 PHE 71 CA -0.0046 0.0018 0.0002 1605 PHE 71 C -0.0077 -0.0008 0.0002 1606 PHE 71 O -0.0099 0.0000 0.0010 1607 PHE 71 CB -0.0018 0.0004 -0.0009 1608 PHE 71 CG -0.0028 -0.0003 -0.0009 1609 PHE 71 CD1 -0.0022 0.0017 -0.0004 1610 PHE 71 CD2 -0.0042 -0.0035 -0.0015 1611 PHE 71 CE1 -0.0029 0.0013 -0.0003 1612 PHE 71 CE2 -0.0047 -0.0037 -0.0014 1613 PHE 71 CZ -0.0041 -0.0014 -0.0009 1614 SER 72 N -0.0076 -0.0027 -0.0004 1615 SER 72 CA -0.0102 -0.0056 -0.0007 1616 SER 72 C -0.0131 -0.0039 0.0006 1617 SER 72 O -0.0161 -0.0045 0.0011 1618 SER 72 CB -0.0088 -0.0084 -0.0019 1619 SER 72 OG -0.0107 -0.0110 -0.0022 1620 ASP 73 N -0.0126 -0.0006 0.0042 1621 ASP 73 CA -0.0144 0.0004 0.0047 1622 ASP 73 C -0.0138 0.0007 0.0040 1623 ASP 73 O -0.0146 0.0008 0.0045 1624 ASP 73 CB -0.0160 0.0023 0.0043 1625 ASP 73 CG -0.0171 0.0017 0.0059 1626 ASP 73 OD1 -0.0167 -0.0002 0.0074 1627 ASP 73 OD2 -0.0179 0.0028 0.0055 1628 GLY 74 N -0.0124 0.0013 0.0021 1629 GLY 74 CA -0.0115 0.0013 0.0013 1630 GLY 74 C -0.0107 0.0001 0.0018 1631 GLY 74 O -0.0103 -0.0003 0.0018 1632 LEU 75 N -0.0097 -0.0022 0.0032 1633 LEU 75 CA -0.0088 -0.0038 0.0039 1634 LEU 75 C -0.0104 -0.0040 0.0056 1635 LEU 75 O -0.0098 -0.0050 0.0061 1636 LEU 75 CB -0.0079 -0.0057 0.0050 1637 LEU 75 CG -0.0066 -0.0056 0.0038 1638 LEU 75 CD1 -0.0053 -0.0075 0.0045 1639 LEU 75 CD2 -0.0047 -0.0056 0.0021 1640 ALA 76 N -0.0112 -0.0036 0.0142 1641 ALA 76 CA -0.0124 -0.0036 0.0144 1642 ALA 76 C -0.0132 -0.0024 0.0128 1643 ALA 76 O -0.0137 -0.0023 0.0127 1644 ALA 76 CB -0.0151 -0.0038 0.0151 1645 HIS 77 N -0.0121 -0.0011 0.0108 1646 HIS 77 CA -0.0128 0.0004 0.0089 1647 HIS 77 C -0.0103 0.0007 0.0079 1648 HIS 77 O -0.0102 0.0020 0.0061 1649 HIS 77 CB -0.0139 0.0011 0.0080 1650 HIS 77 CG -0.0165 0.0005 0.0093 1651 HIS 77 ND1 -0.0176 -0.0003 0.0106 1652 HIS 77 CD2 -0.0181 0.0008 0.0092 1653 HIS 77 CE1 -0.0193 -0.0003 0.0109 1654 HIS 77 NE2 -0.0198 0.0002 0.0104 1655 LEU 78 N -0.0086 -0.0000 0.0087 1656 LEU 78 CA -0.0062 0.0003 0.0078 1657 LEU 78 C -0.0059 0.0014 0.0062 1658 LEU 78 O -0.0049 0.0023 0.0048 1659 LEU 78 CB -0.0043 -0.0008 0.0091 1660 LEU 78 CG -0.0035 -0.0017 0.0102 1661 LEU 78 CD1 -0.0026 -0.0033 0.0122 1662 LEU 78 CD2 -0.0027 -0.0013 0.0095 1663 ASP 79 N -0.0050 -0.0006 0.0090 1664 ASP 79 CA -0.0044 -0.0005 0.0077 1665 ASP 79 C -0.0059 0.0015 0.0050 1666 ASP 79 O -0.0066 0.0022 0.0041 1667 ASP 79 CB -0.0064 -0.0001 0.0102 1668 ASP 79 CG -0.0052 -0.0016 0.0121 1669 ASP 79 OD1 -0.0062 -0.0018 0.0142 1670 ASP 79 OD2 -0.0020 -0.0034 0.0116 1671 ASN 80 N -0.0080 0.0027 0.0051 1672 ASN 80 CA -0.0104 0.0050 0.0030 1673 ASN 80 C -0.0105 0.0054 0.0022 1674 ASN 80 O -0.0126 0.0066 0.0023 1675 ASN 80 CB -0.0126 0.0058 0.0046 1676 ASN 80 CG -0.0149 0.0080 0.0024 1677 ASN 80 OD1 -0.0134 0.0082 -0.0005 1678 ASN 80 ND2 -0.0171 0.0087 0.0042 1679 LEU 81 N -0.0083 0.0045 0.0008 1680 LEU 81 CA -0.0094 0.0057 -0.0005 1681 LEU 81 C -0.0110 0.0074 -0.0024 1682 LEU 81 O -0.0124 0.0085 -0.0031 1683 LEU 81 CB -0.0068 0.0042 -0.0008 1684 LEU 81 CG -0.0050 0.0023 0.0012 1685 LEU 81 CD1 -0.0023 0.0011 0.0001 1686 LEU 81 CD2 -0.0063 0.0024 0.0033 1687 LYS 82 N -0.0038 0.0051 -0.0026 1688 LYS 82 CA -0.0042 0.0059 -0.0035 1689 LYS 82 C -0.0058 0.0060 -0.0035 1690 LYS 82 O -0.0064 0.0062 -0.0037 1691 LYS 82 CB -0.0038 0.0069 -0.0045 1692 LYS 82 CG -0.0021 0.0073 -0.0050 1693 LYS 82 CD -0.0017 0.0085 -0.0063 1694 LYS 82 CE -0.0021 0.0089 -0.0067 1695 LYS 82 NZ -0.0024 0.0105 -0.0084 1696 GLY 83 N -0.0069 0.0057 -0.0032 1697 GLY 83 CA -0.0087 0.0057 -0.0031 1698 GLY 83 C -0.0091 0.0048 -0.0021 1699 GLY 83 O -0.0103 0.0049 -0.0023 1700 THR 84 N -0.0084 0.0038 -0.0011 1701 THR 84 CA -0.0085 0.0027 0.0000 1702 THR 84 C -0.0084 0.0030 -0.0003 1703 THR 84 O -0.0089 0.0026 0.0001 1704 THR 84 CB -0.0076 0.0016 0.0011 1705 THR 84 OG1 -0.0083 0.0015 0.0013 1706 THR 84 CG2 -0.0080 0.0008 0.0020 1707 PHE 85 N 0.0047 0.0012 -0.0025 1708 PHE 85 CA 0.0044 0.0004 -0.0004 1709 PHE 85 C 0.0060 -0.0017 0.0027 1710 PHE 85 O 0.0056 -0.0023 0.0046 1711 PHE 85 CB 0.0007 0.0019 -0.0005 1712 PHE 85 CG -0.0002 0.0038 -0.0037 1713 PHE 85 CD1 -0.0028 0.0056 -0.0055 1714 PHE 85 CD2 0.0018 0.0037 -0.0054 1715 PHE 85 CE1 -0.0032 0.0074 -0.0090 1716 PHE 85 CE2 0.0005 0.0058 -0.0088 1717 PHE 85 CZ -0.0018 0.0077 -0.0109 1718 ALA 86 N 0.0073 -0.0027 0.0037 1719 ALA 86 CA 0.0088 -0.0049 0.0073 1720 ALA 86 C 0.0112 -0.0062 0.0079 1721 ALA 86 O 0.0109 -0.0072 0.0106 1722 ALA 86 CB 0.0102 -0.0058 0.0080 1723 THR 87 N 0.0140 -0.0062 0.0055 1724 THR 87 CA 0.0164 -0.0076 0.0063 1725 THR 87 C 0.0151 -0.0069 0.0060 1726 THR 87 O 0.0157 -0.0082 0.0083 1727 THR 87 CB 0.0202 -0.0073 0.0023 1728 THR 87 OG1 0.0217 -0.0083 0.0032 1729 THR 87 CG2 0.0238 -0.0102 0.0052 1730 LEU 88 N 0.0148 -0.0036 -0.0004 1731 LEU 88 CA 0.0114 -0.0027 0.0006 1732 LEU 88 C 0.0086 -0.0047 0.0020 1733 LEU 88 O 0.0059 -0.0050 0.0030 1734 LEU 88 CB 0.0109 0.0014 -0.0001 1735 LEU 88 CG 0.0129 0.0039 -0.0014 1736 LEU 88 CD1 0.0115 0.0071 -0.0016 1737 LEU 88 CD2 0.0106 0.0035 -0.0005 1738 SER 89 N 0.0095 -0.0058 0.0019 1739 SER 89 CA 0.0069 -0.0080 0.0033 1740 SER 89 C 0.0060 -0.0113 0.0043 1741 SER 89 O 0.0032 -0.0123 0.0055 1742 SER 89 CB 0.0087 -0.0084 0.0027 1743 SER 89 OG 0.0060 -0.0108 0.0042 1744 GLU 90 N 0.0091 -0.0132 0.0036 1745 GLU 90 CA 0.0089 -0.0157 0.0043 1746 GLU 90 C 0.0070 -0.0163 0.0051 1747 GLU 90 O 0.0045 -0.0178 0.0062 1748 GLU 90 CB 0.0131 -0.0183 0.0034 1749 GLU 90 CG 0.0140 -0.0186 0.0031 1750 GLU 90 CD 0.0185 -0.0219 0.0022 1751 GLU 90 OE1 0.0180 -0.0233 0.0027 1752 GLU 90 OE2 0.0210 -0.0197 0.0009 1753 LEU 91 N 0.0081 -0.0111 0.0008 1754 LEU 91 CA 0.0057 -0.0101 0.0015 1755 LEU 91 C 0.0027 -0.0098 0.0022 1756 LEU 91 O 0.0001 -0.0106 0.0027 1757 LEU 91 CB 0.0072 -0.0073 0.0016 1758 LEU 91 CG 0.0048 -0.0059 0.0024 1759 LEU 91 CD1 0.0047 -0.0079 0.0021 1760 LEU 91 CD2 0.0049 -0.0030 0.0028 1761 HIS 92 N 0.0032 -0.0081 0.0024 1762 HIS 92 CA 0.0002 -0.0075 0.0032 1763 HIS 92 C -0.0016 -0.0105 0.0031 1764 HIS 92 O -0.0044 -0.0107 0.0037 1765 HIS 92 CB 0.0008 -0.0053 0.0033 1766 HIS 92 CG 0.0009 -0.0019 0.0039 1767 HIS 92 ND1 0.0039 -0.0006 0.0034 1768 HIS 92 CD2 -0.0009 0.0006 0.0047 1769 HIS 92 CE1 0.0030 0.0026 0.0041 1770 HIS 92 NE2 0.0004 0.0030 0.0047 1771 CYS 93 N 0.0002 -0.0128 0.0024 1772 CYS 93 CA -0.0013 -0.0156 0.0023 1773 CYS 93 C -0.0025 -0.0176 0.0022 1774 CYS 93 O -0.0050 -0.0184 0.0027 1775 CYS 93 CB 0.0011 -0.0171 0.0015 1776 CYS 93 SG -0.0002 -0.0213 0.0012 1777 ASP 94 N -0.0021 -0.0228 0.0006 1778 ASP 94 CA -0.0032 -0.0271 0.0008 1779 ASP 94 C -0.0053 -0.0252 0.0016 1780 ASP 94 O -0.0082 -0.0283 0.0025 1781 ASP 94 CB 0.0012 -0.0291 -0.0007 1782 ASP 94 CG 0.0047 -0.0321 -0.0020 1783 ASP 94 OD1 0.0021 -0.0329 -0.0012 1784 ASP 94 OD2 0.0077 -0.0317 -0.0030 1785 LYS 95 N -0.0051 -0.0213 0.0017 1786 LYS 95 CA -0.0078 -0.0203 0.0027 1787 LYS 95 C -0.0110 -0.0171 0.0039 1788 LYS 95 O -0.0144 -0.0172 0.0050 1789 LYS 95 CB -0.0037 -0.0180 0.0014 1790 LYS 95 CG 0.0001 -0.0215 -0.0000 1791 LYS 95 CD -0.0029 -0.0260 0.0008 1792 LYS 95 CE 0.0008 -0.0288 -0.0006 1793 LYS 95 NZ -0.0010 -0.0330 -0.0002 1794 LEU 96 N -0.0105 -0.0129 0.0039 1795 LEU 96 CA -0.0140 -0.0099 0.0052 1796 LEU 96 C -0.0179 -0.0106 0.0065 1797 LEU 96 O -0.0213 -0.0087 0.0077 1798 LEU 96 CB -0.0120 -0.0050 0.0047 1799 LEU 96 CG -0.0077 -0.0033 0.0034 1800 LEU 96 CD1 -0.0059 0.0017 0.0030 1801 LEU 96 CD2 -0.0109 -0.0028 0.0045 1802 HIS 97 N -0.0125 -0.0133 -0.0018 1803 HIS 97 CA -0.0129 -0.0134 -0.0015 1804 HIS 97 C -0.0117 -0.0103 0.0009 1805 HIS 97 O -0.0130 -0.0099 0.0025 1806 HIS 97 CB -0.0164 -0.0156 -0.0009 1807 HIS 97 CG -0.0180 -0.0188 -0.0029 1808 HIS 97 ND1 -0.0163 -0.0205 -0.0062 1809 HIS 97 CD2 -0.0203 -0.0196 -0.0017 1810 HIS 97 CE1 -0.0181 -0.0226 -0.0071 1811 HIS 97 NE2 -0.0206 -0.0223 -0.0045 1812 VAL 98 N -0.0086 -0.0081 0.0005 1813 VAL 98 CA -0.0075 -0.0049 0.0031 1814 VAL 98 C -0.0047 -0.0045 0.0011 1815 VAL 98 O -0.0021 -0.0043 -0.0010 1816 VAL 98 CB -0.0056 -0.0027 0.0039 1817 VAL 98 CG1 -0.0043 0.0004 0.0061 1818 VAL 98 CG2 -0.0084 -0.0030 0.0060 1819 ASP 99 N -0.0054 -0.0037 0.0025 1820 ASP 99 CA -0.0033 -0.0034 0.0010 1821 ASP 99 C -0.0001 -0.0003 0.0016 1822 ASP 99 O 0.0000 0.0021 0.0042 1823 ASP 99 CB -0.0046 -0.0024 0.0033 1824 ASP 99 CG -0.0024 -0.0012 0.0026 1825 ASP 99 OD1 -0.0041 -0.0011 0.0043 1826 ASP 99 OD2 0.0005 -0.0008 0.0005 1827 PRO 100 N 0.0004 0.0015 0.0037 1828 PRO 100 CA 0.0017 0.0025 0.0039 1829 PRO 100 C 0.0007 0.0030 0.0038 1830 PRO 100 O 0.0016 0.0043 0.0039 1831 PRO 100 CB 0.0031 0.0011 0.0040 1832 PRO 100 CG 0.0028 -0.0004 0.0040 1833 PRO 100 CD 0.0010 -0.0003 0.0038 1834 GLU 101 N -0.0009 0.0026 0.0036 1835 GLU 101 CA -0.0020 0.0034 0.0035 1836 GLU 101 C -0.0022 0.0054 0.0035 1837 GLU 101 O -0.0019 0.0065 0.0035 1838 GLU 101 CB -0.0037 0.0026 0.0033 1839 GLU 101 CG -0.0048 0.0033 0.0032 1840 GLU 101 CD -0.0036 0.0025 0.0033 1841 GLU 101 OE1 -0.0027 0.0012 0.0034 1842 GLU 101 OE2 -0.0045 0.0037 0.0032 1843 ASN 102 N -0.0022 0.0061 0.0035 1844 ASN 102 CA -0.0022 0.0080 0.0035 1845 ASN 102 C -0.0006 0.0089 0.0036 1846 ASN 102 O -0.0008 0.0106 0.0036 1847 ASN 102 CB -0.0022 0.0083 0.0035 1848 ASN 102 CG -0.0042 0.0079 0.0032 1849 ASN 102 OD1 -0.0053 0.0085 0.0031 1850 ASN 102 ND2 -0.0041 0.0063 0.0032 1851 PHE 103 N -0.0003 0.0067 0.0047 1852 PHE 103 CA -0.0001 0.0070 0.0041 1853 PHE 103 C -0.0004 0.0077 0.0041 1854 PHE 103 O -0.0004 0.0082 0.0037 1855 PHE 103 CB 0.0003 0.0067 0.0038 1856 PHE 103 CG 0.0007 0.0060 0.0038 1857 PHE 103 CD1 0.0008 0.0058 0.0037 1858 PHE 103 CD2 0.0008 0.0056 0.0039 1859 PHE 103 CE1 0.0011 0.0051 0.0038 1860 PHE 103 CE2 0.0011 0.0049 0.0039 1861 PHE 103 CZ 0.0013 0.0047 0.0038 1862 ARG 104 N -0.0008 0.0078 0.0046 1863 ARG 104 CA -0.0011 0.0085 0.0045 1864 ARG 104 C -0.0014 0.0089 0.0047 1865 ARG 104 O -0.0015 0.0095 0.0045 1866 ARG 104 CB -0.0014 0.0085 0.0051 1867 ARG 104 CG -0.0012 0.0082 0.0049 1868 ARG 104 CD -0.0014 0.0080 0.0054 1869 ARG 104 NE -0.0009 0.0075 0.0051 1870 ARG 104 CZ -0.0014 0.0078 0.0056 1871 ARG 104 NH1 -0.0019 0.0077 0.0064 1872 ARG 104 NH2 -0.0011 0.0079 0.0050 1873 LEU 105 N -0.0015 0.0085 0.0052 1874 LEU 105 CA -0.0018 0.0088 0.0054 1875 LEU 105 C -0.0015 0.0089 0.0048 1876 LEU 105 O -0.0017 0.0095 0.0047 1877 LEU 105 CB -0.0018 0.0083 0.0059 1878 LEU 105 CG -0.0022 0.0082 0.0065 1879 LEU 105 CD1 -0.0022 0.0077 0.0070 1880 LEU 105 CD2 -0.0026 0.0088 0.0068 1881 LEU 106 N 0.0003 0.0098 0.0038 1882 LEU 106 CA -0.0002 0.0087 0.0035 1883 LEU 106 C -0.0014 0.0080 0.0036 1884 LEU 106 O -0.0015 0.0068 0.0032 1885 LEU 106 CB -0.0003 0.0092 0.0038 1886 LEU 106 CG -0.0007 0.0083 0.0035 1887 LEU 106 CD1 0.0002 0.0075 0.0028 1888 LEU 106 CD2 -0.0011 0.0090 0.0039 1889 GLY 107 N -0.0023 0.0084 0.0041 1890 GLY 107 CA -0.0035 0.0078 0.0043 1891 GLY 107 C -0.0031 0.0069 0.0038 1892 GLY 107 O -0.0038 0.0058 0.0036 1893 ASN 108 N -0.0022 0.0072 0.0036 1894 ASN 108 CA -0.0021 0.0063 0.0032 1895 ASN 108 C -0.0013 0.0052 0.0024 1896 ASN 108 O -0.0016 0.0041 0.0021 1897 ASN 108 CB -0.0012 0.0069 0.0031 1898 ASN 108 CG -0.0022 0.0077 0.0038 1899 ASN 108 OD1 -0.0035 0.0072 0.0040 1900 ASN 108 ND2 -0.0012 0.0082 0.0036 1901 VAL 109 N -0.0003 0.0041 0.0037 1902 VAL 109 CA 0.0001 0.0028 0.0041 1903 VAL 109 C -0.0010 0.0019 0.0040 1904 VAL 109 O -0.0008 0.0007 0.0043 1905 VAL 109 CB 0.0004 0.0025 0.0042 1906 VAL 109 CG1 0.0006 0.0011 0.0046 1907 VAL 109 CG2 0.0018 0.0033 0.0045 1908 LEU 110 N -0.0023 0.0021 0.0035 1909 LEU 110 CA -0.0035 0.0013 0.0034 1910 LEU 110 C -0.0034 0.0011 0.0034 1911 LEU 110 O -0.0037 0.0001 0.0036 1912 LEU 110 CB -0.0047 0.0019 0.0029 1913 LEU 110 CG -0.0060 0.0011 0.0027 1914 LEU 110 CD1 -0.0060 -0.0004 0.0030 1915 LEU 110 CD2 -0.0072 0.0015 0.0022 1916 VAL 111 N -0.0032 0.0022 0.0033 1917 VAL 111 CA -0.0031 0.0022 0.0033 1918 VAL 111 C -0.0021 0.0012 0.0038 1919 VAL 111 O -0.0022 0.0004 0.0039 1920 VAL 111 CB -0.0029 0.0037 0.0030 1921 VAL 111 CG1 -0.0025 0.0035 0.0032 1922 VAL 111 CG2 -0.0042 0.0042 0.0025 1923 CYS 112 N -0.0007 -0.0018 0.0047 1924 CYS 112 CA 0.0000 -0.0022 0.0052 1925 CYS 112 C -0.0003 -0.0033 0.0052 1926 CYS 112 O -0.0001 -0.0037 0.0054 1927 CYS 112 CB 0.0008 -0.0022 0.0057 1928 CYS 112 SG 0.0013 -0.0009 0.0058 1929 VAL 113 N -0.0007 -0.0037 0.0050 1930 VAL 113 CA -0.0011 -0.0047 0.0050 1931 VAL 113 C -0.0017 -0.0049 0.0046 1932 VAL 113 O -0.0016 -0.0057 0.0048 1933 VAL 113 CB -0.0014 -0.0052 0.0048 1934 VAL 113 CG1 -0.0018 -0.0061 0.0048 1935 VAL 113 CG2 -0.0007 -0.0052 0.0053 1936 LEU 114 N -0.0023 -0.0044 0.0041 1937 LEU 114 CA -0.0029 -0.0045 0.0038 1938 LEU 114 C -0.0024 -0.0046 0.0041 1939 LEU 114 O -0.0028 -0.0051 0.0040 1940 LEU 114 CB -0.0035 -0.0039 0.0033 1941 LEU 114 CG -0.0041 -0.0040 0.0029 1942 LEU 114 CD1 -0.0046 -0.0032 0.0024 1943 LEU 114 CD2 -0.0047 -0.0050 0.0028 1944 ALA 115 N -0.0021 -0.0030 0.0058 1945 ALA 115 CA -0.0018 -0.0013 0.0066 1946 ALA 115 C -0.0011 -0.0032 0.0080 1947 ALA 115 O -0.0012 -0.0027 0.0077 1948 ALA 115 CB -0.0012 0.0007 0.0083 1949 HIS 116 N -0.0003 -0.0050 0.0095 1950 HIS 116 CA 0.0004 -0.0066 0.0110 1951 HIS 116 C -0.0003 -0.0083 0.0091 1952 HIS 116 O -0.0002 -0.0088 0.0094 1953 HIS 116 CB 0.0012 -0.0083 0.0126 1954 HIS 116 CG 0.0021 -0.0098 0.0144 1955 HIS 116 ND1 0.0023 -0.0129 0.0144 1956 HIS 116 CD2 0.0028 -0.0093 0.0160 1957 HIS 116 CE1 0.0033 -0.0135 0.0166 1958 HIS 116 NE2 0.0035 -0.0115 0.0172 1959 HIS 117 N -0.0011 -0.0098 0.0073 1960 HIS 117 CA -0.0019 -0.0112 0.0053 1961 HIS 117 C -0.0026 -0.0100 0.0037 1962 HIS 117 O -0.0029 -0.0112 0.0030 1963 HIS 117 CB -0.0027 -0.0128 0.0033 1964 HIS 117 CG -0.0025 -0.0156 0.0033 1965 HIS 117 ND1 -0.0010 -0.0155 0.0067 1966 HIS 117 CD2 -0.0031 -0.0185 0.0018 1967 HIS 117 CE1 -0.0007 -0.0190 0.0071 1968 HIS 117 NE2 -0.0018 -0.0201 0.0044 1969 PHE 118 N -0.0060 -0.0040 0.0090 1970 PHE 118 CA -0.0012 -0.0008 0.0076 1971 PHE 118 C 0.0002 0.0034 0.0102 1972 PHE 118 O 0.0041 0.0068 0.0098 1973 PHE 118 CB 0.0017 -0.0033 0.0029 1974 PHE 118 CG 0.0012 -0.0056 0.0013 1975 PHE 118 CD1 -0.0012 -0.0106 -0.0011 1976 PHE 118 CD2 0.0020 -0.0039 0.0021 1977 PHE 118 CE1 -0.0017 -0.0136 -0.0034 1978 PHE 118 CE2 0.0023 -0.0065 -0.0005 1979 PHE 118 CZ -0.0009 -0.0110 -0.0017 1980 GLY 119 N -0.0024 0.0030 0.0121 1981 GLY 119 CA -0.0011 0.0072 0.0147 1982 GLY 119 C 0.0036 0.0083 0.0116 1983 GLY 119 O 0.0057 0.0054 0.0072 1984 LYS 120 N 0.0064 0.0125 0.0128 1985 LYS 120 CA 0.0113 0.0145 0.0104 1986 LYS 120 C 0.0152 0.0135 0.0060 1987 LYS 120 O 0.0186 0.0138 0.0034 1988 LYS 120 CB 0.0142 0.0205 0.0132 1989 LYS 120 CG 0.0156 0.0225 0.0137 1990 LYS 120 CD 0.0183 0.0283 0.0166 1991 LYS 120 CE 0.0198 0.0291 0.0159 1992 LYS 120 NZ 0.0230 0.0332 0.0168 1993 GLU 121 N 0.0041 0.0132 0.0030 1994 GLU 121 CA 0.0042 0.0126 0.0001 1995 GLU 121 C 0.0040 0.0116 -0.0011 1996 GLU 121 O 0.0044 0.0118 -0.0039 1997 GLU 121 CB 0.0035 0.0100 -0.0010 1998 GLU 121 CG 0.0038 0.0103 -0.0032 1999 GLU 121 CD 0.0026 0.0064 -0.0037 2000 GLU 121 OE1 0.0030 0.0065 -0.0079 2001 GLU 121 OE2 0.0028 0.0076 -0.0025 2002 PHE 122 N 0.0035 0.0108 0.0010 2003 PHE 122 CA 0.0033 0.0099 0.0000 2004 PHE 122 C 0.0043 0.0129 0.0003 2005 PHE 122 O 0.0042 0.0134 0.0023 2006 PHE 122 CB 0.0024 0.0077 0.0025 2007 PHE 122 CG 0.0020 0.0061 0.0011 2008 PHE 122 CD1 0.0017 0.0045 -0.0015 2009 PHE 122 CD2 0.0019 0.0065 0.0026 2010 PHE 122 CE1 0.0013 0.0027 -0.0027 2011 PHE 122 CE2 0.0016 0.0050 0.0015 2012 PHE 122 CZ 0.0013 0.0033 -0.0013 2013 THR 123 N 0.0050 0.0144 -0.0019 2014 THR 123 CA 0.0060 0.0174 -0.0019 2015 THR 123 C 0.0059 0.0171 -0.0023 2016 THR 123 O 0.0054 0.0151 -0.0035 2017 THR 123 CB 0.0068 0.0191 -0.0043 2018 THR 123 OG1 0.0067 0.0181 -0.0070 2019 THR 123 CG2 0.0069 0.0198 -0.0038 2020 PRO 124 N 0.0037 0.0150 0.0007 2021 PRO 124 CA 0.0039 0.0141 -0.0006 2022 PRO 124 C 0.0043 0.0138 -0.0013 2023 PRO 124 O 0.0035 0.0131 -0.0023 2024 PRO 124 CB 0.0048 0.0142 -0.0008 2025 PRO 124 CG 0.0047 0.0149 0.0005 2026 PRO 124 CD 0.0046 0.0156 0.0016 2027 PRO 125 N 0.0052 0.0140 -0.0012 2028 PRO 125 CA 0.0057 0.0136 -0.0019 2029 PRO 125 C 0.0045 0.0134 -0.0019 2030 PRO 125 O 0.0042 0.0128 -0.0029 2031 PRO 125 CB 0.0070 0.0140 -0.0016 2032 PRO 125 CG 0.0075 0.0144 -0.0009 2033 PRO 125 CD 0.0065 0.0147 -0.0002 2034 VAL 126 N 0.0038 0.0140 -0.0009 2035 VAL 126 CA 0.0026 0.0139 -0.0008 2036 VAL 126 C 0.0014 0.0134 -0.0013 2037 VAL 126 O 0.0007 0.0128 -0.0021 2038 VAL 126 CB 0.0022 0.0147 0.0006 2039 VAL 126 CG1 0.0010 0.0145 0.0006 2040 VAL 126 CG2 0.0032 0.0151 0.0011 2041 GLN 127 N 0.0002 0.0084 0.0009 2042 GLN 127 CA 0.0000 0.0086 -0.0000 2043 GLN 127 C -0.0001 0.0088 -0.0007 2044 GLN 127 O -0.0006 0.0091 -0.0013 2045 GLN 127 CB 0.0005 0.0084 -0.0004 2046 GLN 127 CG 0.0003 0.0087 -0.0014 2047 GLN 127 CD 0.0009 0.0084 -0.0017 2048 GLN 127 OE1 0.0014 0.0081 -0.0013 2049 GLN 127 NE2 0.0007 0.0086 -0.0026 2050 ALA 128 N 0.0006 0.0084 -0.0009 2051 ALA 128 CA 0.0007 0.0085 -0.0015 2052 ALA 128 C 0.0000 0.0088 -0.0014 2053 ALA 128 O -0.0004 0.0091 -0.0021 2054 ALA 128 CB 0.0016 0.0080 -0.0015 2055 ALA 129 N -0.0003 0.0089 -0.0006 2056 ALA 129 CA -0.0010 0.0092 -0.0004 2057 ALA 129 C -0.0018 0.0096 -0.0006 2058 ALA 129 O -0.0023 0.0100 -0.0011 2059 ALA 129 CB -0.0010 0.0090 0.0006 2060 TYR 130 N -0.0038 0.0061 0.0008 2061 TYR 130 CA -0.0036 0.0071 0.0004 2062 TYR 130 C -0.0036 0.0072 -0.0001 2063 TYR 130 O -0.0035 0.0080 -0.0001 2064 TYR 130 CB -0.0036 0.0074 -0.0005 2065 TYR 130 CG -0.0035 0.0080 0.0000 2066 TYR 130 CD1 -0.0033 0.0091 0.0001 2067 TYR 130 CD2 -0.0036 0.0074 0.0003 2068 TYR 130 CE1 -0.0032 0.0095 0.0006 2069 TYR 130 CE2 -0.0035 0.0080 0.0010 2070 TYR 130 CZ -0.0032 0.0091 0.0009 2071 TYR 130 OH -0.0031 0.0096 0.0014 2072 GLN 131 N -0.0038 0.0064 -0.0006 2073 GLN 131 CA -0.0038 0.0064 -0.0009 2074 GLN 131 C -0.0037 0.0066 -0.0000 2075 GLN 131 O -0.0036 0.0073 -0.0002 2076 GLN 131 CB -0.0040 0.0054 -0.0013 2077 GLN 131 CG -0.0040 0.0053 -0.0025 2078 GLN 131 CD -0.0039 0.0058 -0.0034 2079 GLN 131 OE1 -0.0040 0.0056 -0.0042 2080 GLN 131 NE2 -0.0038 0.0064 -0.0036 2081 LYS 132 N -0.0038 0.0062 0.0009 2082 LYS 132 CA -0.0038 0.0063 0.0018 2083 LYS 132 C -0.0035 0.0075 0.0021 2084 LYS 132 O -0.0034 0.0081 0.0023 2085 LYS 132 CB -0.0039 0.0058 0.0027 2086 LYS 132 CG -0.0041 0.0046 0.0026 2087 LYS 132 CD -0.0042 0.0040 0.0036 2088 LYS 132 CE -0.0044 0.0029 0.0031 2089 LYS 132 NZ -0.0045 0.0025 0.0045 2090 VAL 133 N -0.0045 0.0084 0.0019 2091 VAL 133 CA -0.0048 0.0087 0.0021 2092 VAL 133 C -0.0048 0.0090 0.0017 2093 VAL 133 O -0.0050 0.0094 0.0016 2094 VAL 133 CB -0.0049 0.0086 0.0024 2095 VAL 133 CG1 -0.0052 0.0089 0.0025 2096 VAL 133 CG2 -0.0049 0.0083 0.0028 2097 VAL 134 N -0.0046 0.0089 0.0015 2098 VAL 134 CA -0.0046 0.0091 0.0012 2099 VAL 134 C -0.0046 0.0093 0.0008 2100 VAL 134 O -0.0047 0.0097 0.0006 2101 VAL 134 CB -0.0044 0.0091 0.0009 2102 VAL 134 CG1 -0.0045 0.0089 0.0013 2103 VAL 134 CG2 -0.0041 0.0087 0.0007 2104 ALA 135 N -0.0044 0.0091 0.0007 2105 ALA 135 CA -0.0043 0.0093 0.0004 2106 ALA 135 C -0.0046 0.0096 0.0005 2107 ALA 135 O -0.0047 0.0099 0.0003 2108 ALA 135 CB -0.0041 0.0090 0.0002 2109 GLY 136 N -0.0060 0.0112 0.0002 2110 GLY 136 CA -0.0059 0.0108 -0.0005 2111 GLY 136 C -0.0051 0.0098 -0.0003 2112 GLY 136 O -0.0048 0.0095 -0.0001 2113 VAL 137 N -0.0047 0.0091 -0.0007 2114 VAL 137 CA -0.0039 0.0080 -0.0006 2115 VAL 137 C -0.0033 0.0079 0.0007 2116 VAL 137 O -0.0028 0.0073 0.0010 2117 VAL 137 CB -0.0036 0.0074 -0.0012 2118 VAL 137 CG1 -0.0027 0.0064 -0.0010 2119 VAL 137 CG2 -0.0041 0.0075 -0.0025 2120 ALA 138 N -0.0035 0.0085 0.0016 2121 ALA 138 CA -0.0030 0.0084 0.0029 2122 ALA 138 C -0.0030 0.0086 0.0033 2123 ALA 138 O -0.0025 0.0082 0.0040 2124 ALA 138 CB -0.0032 0.0091 0.0037 2125 ASN 139 N -0.0040 0.0102 0.0043 2126 ASN 139 CA -0.0037 0.0093 0.0047 2127 ASN 139 C -0.0021 0.0079 0.0034 2128 ASN 139 O -0.0016 0.0064 0.0045 2129 ASN 139 CB -0.0043 0.0110 0.0037 2130 ASN 139 CG -0.0050 0.0114 0.0046 2131 ASN 139 OD1 -0.0063 0.0121 0.0066 2132 ASN 139 ND2 -0.0069 0.0143 0.0045 2133 ALA 140 N -0.0013 0.0079 0.0015 2134 ALA 140 CA 0.0001 0.0064 0.0003 2135 ALA 140 C 0.0009 0.0047 0.0014 2136 ALA 140 O 0.0020 0.0029 0.0016 2137 ALA 140 CB 0.0008 0.0070 -0.0022 2138 LEU 141 N 0.0006 0.0046 0.0022 2139 LEU 141 CA 0.0012 0.0030 0.0033 2140 LEU 141 C 0.0011 0.0020 0.0052 2141 LEU 141 O 0.0017 0.0003 0.0064 2142 LEU 141 CB 0.0009 0.0034 0.0034 2143 LEU 141 CG 0.0017 0.0033 0.0015 2144 LEU 141 CD1 0.0012 0.0038 0.0019 2145 LEU 141 CD2 0.0033 0.0013 0.0010 2146 ALA 142 N -0.0004 -0.0023 0.0044 2147 ALA 142 CA -0.0013 -0.0035 0.0076 2148 ALA 142 C 0.0002 -0.0055 0.0075 2149 ALA 142 O -0.0003 -0.0071 0.0106 2150 ALA 142 CB -0.0042 -0.0016 0.0096 2151 HIS 143 N 0.0012 -0.0048 0.0051 2152 HIS 143 CA 0.0020 -0.0054 0.0046 2153 HIS 143 C 0.0039 -0.0092 0.0065 2154 HIS 143 O 0.0038 -0.0100 0.0077 2155 HIS 143 CB 0.0033 -0.0046 0.0014 2156 HIS 143 CG 0.0038 -0.0050 0.0012 2157 HIS 143 ND1 0.0070 -0.0074 -0.0008 2158 HIS 143 CD2 0.0020 -0.0040 0.0028 2159 HIS 143 CE1 0.0056 -0.0063 -0.0002 2160 HIS 143 NE2 0.0029 -0.0049 0.0024 2161 LYS 144 N 0.0055 -0.0108 0.0061 2162 LYS 144 CA 0.0074 -0.0140 0.0071 2163 LYS 144 C 0.0064 -0.0150 0.0101 2164 LYS 144 O 0.0081 -0.0180 0.0113 2165 LYS 144 CB 0.0097 -0.0149 0.0045 2166 LYS 144 CG 0.0110 -0.0140 0.0012 2167 LYS 144 CD 0.0125 -0.0158 0.0010 2168 LYS 144 CE 0.0153 -0.0180 -0.0004 2169 LYS 144 NZ 0.0184 -0.0197 -0.0033 2170 TYR 145 N 0.0038 -0.0109 -0.0010 2171 TYR 145 CA 0.0023 -0.0115 -0.0002 2172 TYR 145 C 0.0022 -0.0136 -0.0013 2173 TYR 145 O 0.0038 -0.0131 -0.0023 2174 TYR 145 CB 0.0015 -0.0106 0.0011 2175 TYR 145 CG 0.0005 -0.0094 0.0025 2176 TYR 145 CD1 -0.0012 -0.0099 0.0036 2177 TYR 145 CD2 0.0017 -0.0084 0.0023 2178 TYR 145 CE1 -0.0020 -0.0091 0.0047 2179 TYR 145 CE2 0.0007 -0.0074 0.0037 2180 TYR 145 CZ -0.0011 -0.0077 0.0049 2181 TYR 145 OH -0.0018 -0.0066 0.0061 2182 HIS 146 N 0.0012 -0.0147 -0.0013 2183 HIS 146 CA 0.0008 -0.0167 -0.0022 2184 HIS 146 C -0.0008 -0.0176 -0.0015 2185 HIS 146 O -0.0020 -0.0171 -0.0003 2186 HIS 146 CB 0.0019 -0.0176 -0.0036 2187 HIS 146 CG 0.0001 -0.0191 -0.0032 2188 HIS 146 ND1 0.0007 -0.0197 -0.0041 2189 HIS 146 CD2 0.0006 -0.0175 -0.0026 2190 HIS 146 CE1 -0.0002 -0.0202 -0.0037 2191 HIS 146 NE2 -0.0006 -0.0188 -0.0024 2192 HIS 146 OXT -0.0012 -0.0188 -0.0020 2193 VAL 1 N -0.0100 -0.0098 -0.0009 2194 VAL 1 CA -0.0128 -0.0094 -0.0001 2195 VAL 1 C -0.0133 -0.0111 0.0016 2196 VAL 1 O -0.0133 -0.0116 0.0020 2197 VAL 1 CB -0.0130 -0.0084 -0.0008 2198 VAL 1 CG1 -0.0159 -0.0086 0.0004 2199 VAL 1 CG2 -0.0149 -0.0068 -0.0015 2200 LEU 2 N -0.0132 -0.0122 0.0025 2201 LEU 2 CA -0.0130 -0.0138 0.0038 2202 LEU 2 C -0.0155 -0.0140 0.0049 2203 LEU 2 O -0.0162 -0.0136 0.0048 2204 LEU 2 CB -0.0123 -0.0148 0.0043 2205 LEU 2 CG -0.0099 -0.0154 0.0039 2206 LEU 2 CD1 -0.0091 -0.0160 0.0041 2207 LEU 2 CD2 -0.0090 -0.0157 0.0038 2208 SER 3 N -0.0160 -0.0142 0.0053 2209 SER 3 CA -0.0180 -0.0145 0.0063 2210 SER 3 C -0.0181 -0.0159 0.0076 2211 SER 3 O -0.0168 -0.0171 0.0081 2212 SER 3 CB -0.0182 -0.0144 0.0063 2213 SER 3 OG -0.0174 -0.0158 0.0072 2214 PRO 4 N -0.0161 -0.0095 0.0099 2215 PRO 4 CA -0.0155 -0.0103 0.0124 2216 PRO 4 C -0.0153 -0.0105 0.0132 2217 PRO 4 O -0.0139 -0.0121 0.0144 2218 PRO 4 CB -0.0172 -0.0087 0.0148 2219 PRO 4 CG -0.0180 -0.0076 0.0127 2220 PRO 4 CD -0.0177 -0.0078 0.0095 2221 ALA 5 N -0.0167 -0.0090 0.0120 2222 ALA 5 CA -0.0167 -0.0090 0.0122 2223 ALA 5 C -0.0145 -0.0113 0.0108 2224 ALA 5 O -0.0137 -0.0121 0.0116 2225 ALA 5 CB -0.0184 -0.0072 0.0114 2226 ASP 6 N -0.0145 -0.0112 0.0080 2227 ASP 6 CA -0.0126 -0.0130 0.0062 2228 ASP 6 C -0.0107 -0.0151 0.0081 2229 ASP 6 O -0.0092 -0.0166 0.0079 2230 ASP 6 CB -0.0124 -0.0131 0.0033 2231 ASP 6 CG -0.0140 -0.0114 0.0011 2232 ASP 6 OD1 -0.0146 -0.0107 0.0010 2233 ASP 6 OD2 -0.0145 -0.0108 -0.0006 2234 LYS 7 N -0.0078 -0.0152 0.0069 2235 LYS 7 CA -0.0046 -0.0179 0.0099 2236 LYS 7 C -0.0041 -0.0171 0.0116 2237 LYS 7 O -0.0032 -0.0184 0.0120 2238 LYS 7 CB -0.0032 -0.0191 0.0113 2239 LYS 7 CG -0.0040 -0.0202 0.0088 2240 LYS 7 CD -0.0011 -0.0237 0.0105 2241 LYS 7 CE -0.0022 -0.0226 0.0097 2242 LYS 7 NZ -0.0020 -0.0228 0.0098 2243 THR 8 N -0.0053 -0.0130 0.0134 2244 THR 8 CA -0.0051 -0.0111 0.0154 2245 THR 8 C -0.0060 -0.0112 0.0139 2246 THR 8 O -0.0049 -0.0118 0.0151 2247 THR 8 CB -0.0063 -0.0064 0.0178 2248 THR 8 OG1 -0.0046 -0.0073 0.0200 2249 THR 8 CG2 -0.0057 -0.0050 0.0203 2250 ASN 9 N -0.0084 -0.0103 0.0104 2251 ASN 9 CA -0.0100 -0.0104 0.0077 2252 ASN 9 C -0.0087 -0.0140 0.0065 2253 ASN 9 O -0.0084 -0.0143 0.0068 2254 ASN 9 CB -0.0128 -0.0085 0.0044 2255 ASN 9 CG -0.0148 -0.0043 0.0050 2256 ASN 9 OD1 -0.0140 -0.0026 0.0080 2257 ASN 9 ND2 -0.0163 -0.0033 0.0032 2258 VAL 10 N 0.0016 -0.0121 0.0051 2259 VAL 10 CA 0.0004 -0.0142 0.0048 2260 VAL 10 C 0.0018 -0.0139 0.0056 2261 VAL 10 O 0.0001 -0.0138 0.0046 2262 VAL 10 CB 0.0005 -0.0176 0.0056 2263 VAL 10 CG1 -0.0009 -0.0202 0.0054 2264 VAL 10 CG2 -0.0014 -0.0182 0.0047 2265 LYS 11 N 0.0045 -0.0135 0.0069 2266 LYS 11 CA 0.0059 -0.0124 0.0075 2267 LYS 11 C 0.0054 -0.0100 0.0067 2268 LYS 11 O 0.0046 -0.0094 0.0061 2269 LYS 11 CB 0.0087 -0.0133 0.0092 2270 LYS 11 CG 0.0098 -0.0161 0.0103 2271 LYS 11 CD 0.0129 -0.0159 0.0120 2272 LYS 11 CE 0.0140 -0.0184 0.0131 2273 LYS 11 NZ 0.0161 -0.0184 0.0142 2274 ALA 12 N 0.0051 -0.0076 0.0060 2275 ALA 12 CA 0.0041 -0.0052 0.0050 2276 ALA 12 C 0.0018 -0.0048 0.0036 2277 ALA 12 O 0.0007 -0.0039 0.0029 2278 ALA 12 CB 0.0041 -0.0025 0.0044 2279 ALA 13 N 0.0080 -0.0118 -0.0020 2280 ALA 13 CA 0.0053 -0.0105 0.0001 2281 ALA 13 C 0.0060 -0.0084 -0.0003 2282 ALA 13 O 0.0050 -0.0051 0.0007 2283 ALA 13 CB 0.0030 -0.0134 0.0016 2284 TRP 14 N 0.0074 -0.0100 -0.0014 2285 TRP 14 CA 0.0077 -0.0083 -0.0015 2286 TRP 14 C 0.0099 -0.0053 -0.0029 2287 TRP 14 O 0.0097 -0.0019 -0.0026 2288 TRP 14 CB 0.0094 -0.0107 -0.0030 2289 TRP 14 CG 0.0084 -0.0098 -0.0022 2290 TRP 14 CD1 0.0109 -0.0078 -0.0039 2291 TRP 14 CD2 0.0056 -0.0103 -0.0002 2292 TRP 14 NE1 0.0090 -0.0078 -0.0025 2293 TRP 14 CE2 0.0063 -0.0085 -0.0006 2294 TRP 14 CE3 0.0032 -0.0114 0.0015 2295 TRP 14 CZ2 0.0039 -0.0082 0.0013 2296 TRP 14 CZ3 0.0005 -0.0114 0.0036 2297 TRP 14 CH2 0.0014 -0.0091 0.0030 2298 GLY 15 N 0.0118 -0.0045 -0.0043 2299 GLY 15 CA 0.0139 -0.0020 -0.0057 2300 GLY 15 C 0.0121 0.0011 -0.0041 2301 GLY 15 O 0.0126 0.0047 -0.0042 2302 LYS 16 N 0.0112 0.0037 -0.0201 2303 LYS 16 CA 0.0092 0.0054 -0.0184 2304 LYS 16 C 0.0063 0.0084 -0.0158 2305 LYS 16 O 0.0048 0.0120 -0.0148 2306 LYS 16 CB 0.0079 0.0041 -0.0167 2307 LYS 16 CG 0.0096 0.0067 -0.0190 2308 LYS 16 CD 0.0056 0.0089 -0.0151 2309 LYS 16 CE 0.0058 0.0145 -0.0163 2310 LYS 16 NZ 0.0023 0.0166 -0.0130 2311 VAL 17 N 0.0060 0.0065 -0.0151 2312 VAL 17 CA 0.0037 0.0082 -0.0130 2313 VAL 17 C 0.0047 0.0123 -0.0148 2314 VAL 17 O 0.0033 0.0165 -0.0139 2315 VAL 17 CB 0.0022 0.0050 -0.0108 2316 VAL 17 CG1 0.0012 0.0075 -0.0102 2317 VAL 17 CG2 0.0002 0.0017 -0.0081 2318 GLY 18 N 0.0076 0.0109 -0.0176 2319 GLY 18 CA 0.0089 0.0153 -0.0197 2320 GLY 18 C 0.0079 0.0175 -0.0190 2321 GLY 18 O 0.0062 0.0160 -0.0170 2322 ALA 19 N 0.0225 0.0265 -0.0205 2323 ALA 19 CA 0.0186 0.0276 -0.0196 2324 ALA 19 C 0.0121 0.0281 -0.0173 2325 ALA 19 O 0.0071 0.0283 -0.0155 2326 ALA 19 CB 0.0193 0.0332 -0.0226 2327 HIS 20 N 0.0094 0.0272 -0.0159 2328 HIS 20 CA 0.0028 0.0268 -0.0131 2329 HIS 20 C 0.0017 0.0202 -0.0095 2330 HIS 20 O -0.0037 0.0193 -0.0069 2331 HIS 20 CB 0.0023 0.0273 -0.0132 2332 HIS 20 CG 0.0038 0.0335 -0.0169 2333 HIS 20 ND1 -0.0016 0.0379 -0.0170 2334 HIS 20 CD2 0.0088 0.0356 -0.0198 2335 HIS 20 CE1 0.0021 0.0439 -0.0214 2336 HIS 20 NE2 0.0076 0.0406 -0.0218 2337 ALA 21 N 0.0064 0.0162 -0.0093 2338 ALA 21 CA 0.0057 0.0099 -0.0059 2339 ALA 21 C 0.0001 0.0090 -0.0033 2340 ALA 21 O -0.0035 0.0063 -0.0006 2341 ALA 21 CB 0.0120 0.0074 -0.0070 2342 GLY 22 N 0.0029 0.0103 -0.0088 2343 GLY 22 CA -0.0010 0.0104 -0.0075 2344 GLY 22 C -0.0040 0.0119 -0.0072 2345 GLY 22 O -0.0075 0.0101 -0.0050 2346 GLU 23 N -0.0054 0.0153 -0.0084 2347 GLU 23 CA -0.0086 0.0169 -0.0080 2348 GLU 23 C -0.0094 0.0135 -0.0061 2349 GLU 23 O -0.0131 0.0131 -0.0046 2350 GLU 23 CB -0.0079 0.0209 -0.0103 2351 GLU 23 CG -0.0120 0.0230 -0.0099 2352 GLU 23 CD -0.0097 0.0286 -0.0135 2353 GLU 23 OE1 -0.0103 0.0263 -0.0121 2354 GLU 23 OE2 -0.0072 0.0273 -0.0137 2355 TYR 24 N -0.0057 0.0123 -0.0068 2356 TYR 24 CA -0.0058 0.0094 -0.0053 2357 TYR 24 C -0.0077 0.0053 -0.0026 2358 TYR 24 O -0.0094 0.0033 -0.0010 2359 TYR 24 CB -0.0020 0.0087 -0.0063 2360 TYR 24 CG -0.0004 0.0122 -0.0086 2361 TYR 24 CD1 0.0039 0.0110 -0.0095 2362 TYR 24 CD2 -0.0033 0.0157 -0.0093 2363 TYR 24 CE1 0.0050 0.0149 -0.0119 2364 TYR 24 CE2 -0.0018 0.0193 -0.0116 2365 TYR 24 CZ 0.0020 0.0176 -0.0122 2366 TYR 24 OH 0.0036 0.0214 -0.0146 2367 GLY 25 N -0.0032 0.0073 -0.0011 2368 GLY 25 CA -0.0034 0.0070 -0.0003 2369 GLY 25 C -0.0042 0.0067 -0.0006 2370 GLY 25 O -0.0042 0.0066 -0.0004 2371 ALA 26 N -0.0049 0.0065 -0.0013 2372 ALA 26 CA -0.0056 0.0062 -0.0017 2373 ALA 26 C -0.0053 0.0065 -0.0022 2374 ALA 26 O -0.0055 0.0064 -0.0023 2375 ALA 26 CB -0.0064 0.0060 -0.0023 2376 GLU 27 N -0.0046 0.0070 -0.0029 2377 GLU 27 CA -0.0043 0.0073 -0.0036 2378 GLU 27 C -0.0038 0.0075 -0.0030 2379 GLU 27 O -0.0038 0.0075 -0.0031 2380 GLU 27 CB -0.0036 0.0078 -0.0041 2381 GLU 27 CG -0.0033 0.0081 -0.0048 2382 GLU 27 CD -0.0027 0.0086 -0.0055 2383 GLU 27 OE1 -0.0020 0.0090 -0.0057 2384 GLU 27 OE2 -0.0029 0.0086 -0.0058 2385 ALA 28 N -0.0010 0.0050 -0.0016 2386 ALA 28 CA -0.0012 0.0052 -0.0020 2387 ALA 28 C -0.0009 0.0053 -0.0024 2388 ALA 28 O -0.0009 0.0054 -0.0026 2389 ALA 28 CB -0.0016 0.0053 -0.0020 2390 LEU 29 N -0.0005 0.0053 -0.0024 2391 LEU 29 CA -0.0001 0.0053 -0.0028 2392 LEU 29 C 0.0001 0.0053 -0.0028 2393 LEU 29 O 0.0002 0.0054 -0.0030 2394 LEU 29 CB 0.0002 0.0053 -0.0028 2395 LEU 29 CG -0.0000 0.0054 -0.0029 2396 LEU 29 CD1 0.0003 0.0053 -0.0028 2397 LEU 29 CD2 -0.0001 0.0056 -0.0034 2398 GLU 30 N 0.0003 0.0051 -0.0024 2399 GLU 30 CA 0.0005 0.0050 -0.0023 2400 GLU 30 C 0.0002 0.0051 -0.0024 2401 GLU 30 O 0.0004 0.0051 -0.0026 2402 GLU 30 CB 0.0007 0.0047 -0.0018 2403 GLU 30 CG 0.0009 0.0047 -0.0017 2404 GLU 30 CD 0.0012 0.0044 -0.0012 2405 GLU 30 OE1 0.0011 0.0043 -0.0010 2406 GLU 30 OE2 0.0014 0.0043 -0.0013 2407 ARG 31 N 0.0023 0.0034 -0.0030 2408 ARG 31 CA 0.0020 0.0034 -0.0030 2409 ARG 31 C 0.0018 0.0027 -0.0028 2410 ARG 31 O 0.0014 0.0026 -0.0028 2411 ARG 31 CB 0.0026 0.0036 -0.0030 2412 ARG 31 CG 0.0026 0.0043 -0.0032 2413 ARG 31 CD 0.0031 0.0045 -0.0032 2414 ARG 31 NE 0.0032 0.0052 -0.0033 2415 ARG 31 CZ 0.0028 0.0056 -0.0034 2416 ARG 31 NH1 0.0023 0.0054 -0.0034 2417 ARG 31 NH2 0.0029 0.0062 -0.0036 2418 MET 32 N 0.0022 0.0023 -0.0027 2419 MET 32 CA 0.0021 0.0016 -0.0025 2420 MET 32 C 0.0015 0.0014 -0.0025 2421 MET 32 O 0.0012 0.0011 -0.0025 2422 MET 32 CB 0.0027 0.0013 -0.0024 2423 MET 32 CG 0.0026 0.0007 -0.0023 2424 MET 32 SD 0.0032 0.0002 -0.0022 2425 MET 32 CE 0.0031 0.0003 -0.0022 2426 PHE 33 N 0.0014 0.0016 -0.0026 2427 PHE 33 CA 0.0008 0.0014 -0.0025 2428 PHE 33 C 0.0003 0.0016 -0.0026 2429 PHE 33 O -0.0002 0.0013 -0.0026 2430 PHE 33 CB 0.0009 0.0015 -0.0026 2431 PHE 33 CG 0.0014 0.0013 -0.0025 2432 PHE 33 CD1 0.0015 0.0007 -0.0023 2433 PHE 33 CD2 0.0017 0.0016 -0.0026 2434 PHE 33 CE1 0.0020 0.0004 -0.0023 2435 PHE 33 CE2 0.0022 0.0013 -0.0025 2436 PHE 33 CZ 0.0023 0.0007 -0.0023 2437 LEU 34 N 0.0049 0.0019 -0.0017 2438 LEU 34 CA 0.0038 0.0023 -0.0015 2439 LEU 34 C 0.0033 0.0017 -0.0014 2440 LEU 34 O 0.0024 0.0014 -0.0013 2441 LEU 34 CB 0.0038 0.0035 -0.0013 2442 LEU 34 CG 0.0041 0.0043 -0.0013 2443 LEU 34 CD1 0.0041 0.0054 -0.0012 2444 LEU 34 CD2 0.0034 0.0042 -0.0012 2445 SER 35 N 0.0039 0.0014 -0.0016 2446 SER 35 CA 0.0035 0.0008 -0.0016 2447 SER 35 C 0.0032 -0.0004 -0.0017 2448 SER 35 O 0.0026 -0.0009 -0.0016 2449 SER 35 CB 0.0042 0.0009 -0.0017 2450 SER 35 OG 0.0042 0.0020 -0.0016 2451 PHE 36 N 0.0039 -0.0009 -0.0019 2452 PHE 36 CA 0.0040 -0.0021 -0.0020 2453 PHE 36 C 0.0041 -0.0023 -0.0021 2454 PHE 36 O 0.0049 -0.0026 -0.0023 2455 PHE 36 CB 0.0049 -0.0025 -0.0022 2456 PHE 36 CG 0.0050 -0.0023 -0.0022 2457 PHE 36 CD1 0.0057 -0.0015 -0.0023 2458 PHE 36 CD2 0.0041 -0.0028 -0.0021 2459 PHE 36 CE1 0.0058 -0.0013 -0.0023 2460 PHE 36 CE2 0.0043 -0.0024 -0.0021 2461 PHE 36 CZ 0.0051 -0.0017 -0.0022 2462 PRO 37 N -0.0003 -0.0083 -0.0020 2463 PRO 37 CA -0.0007 -0.0077 -0.0018 2464 PRO 37 C -0.0008 -0.0076 -0.0017 2465 PRO 37 O -0.0010 -0.0071 -0.0018 2466 PRO 37 CB -0.0010 -0.0075 -0.0012 2467 PRO 37 CG -0.0008 -0.0080 -0.0010 2468 PRO 37 CD -0.0004 -0.0085 -0.0016 2469 THR 38 N -0.0005 -0.0082 -0.0015 2470 THR 38 CA -0.0006 -0.0082 -0.0014 2471 THR 38 C -0.0005 -0.0079 -0.0020 2472 THR 38 O -0.0007 -0.0077 -0.0020 2473 THR 38 CB -0.0003 -0.0089 -0.0009 2474 THR 38 OG1 0.0001 -0.0093 -0.0016 2475 THR 38 CG2 -0.0001 -0.0093 -0.0011 2476 THR 39 N -0.0003 -0.0080 -0.0026 2477 THR 39 CA -0.0003 -0.0078 -0.0033 2478 THR 39 C -0.0006 -0.0070 -0.0034 2479 THR 39 O -0.0007 -0.0067 -0.0038 2480 THR 39 CB 0.0000 -0.0080 -0.0040 2481 THR 39 OG1 -0.0001 -0.0077 -0.0041 2482 THR 39 CG2 0.0004 -0.0087 -0.0038 2483 LYS 40 N -0.0028 -0.0068 -0.0039 2484 LYS 40 CA -0.0023 -0.0070 -0.0038 2485 LYS 40 C -0.0021 -0.0063 -0.0042 2486 LYS 40 O -0.0019 -0.0063 -0.0042 2487 LYS 40 CB -0.0014 -0.0075 -0.0036 2488 LYS 40 CG -0.0016 -0.0083 -0.0032 2489 LYS 40 CD -0.0006 -0.0085 -0.0031 2490 LYS 40 CE -0.0005 -0.0090 -0.0029 2491 LYS 40 NZ 0.0006 -0.0090 -0.0029 2492 THR 41 N -0.0021 -0.0056 -0.0045 2493 THR 41 CA -0.0018 -0.0048 -0.0049 2494 THR 41 C -0.0025 -0.0047 -0.0050 2495 THR 41 O -0.0023 -0.0042 -0.0053 2496 THR 41 CB -0.0018 -0.0041 -0.0053 2497 THR 41 OG1 -0.0026 -0.0040 -0.0053 2498 THR 41 CG2 -0.0012 -0.0043 -0.0052 2499 TYR 42 N -0.0033 -0.0050 -0.0048 2500 TYR 42 CA -0.0040 -0.0048 -0.0049 2501 TYR 42 C -0.0039 -0.0053 -0.0046 2502 TYR 42 O -0.0044 -0.0053 -0.0046 2503 TYR 42 CB -0.0050 -0.0049 -0.0048 2504 TYR 42 CG -0.0050 -0.0043 -0.0051 2505 TYR 42 CD1 -0.0053 -0.0034 -0.0055 2506 TYR 42 CD2 -0.0050 -0.0044 -0.0051 2507 TYR 42 CE1 -0.0054 -0.0029 -0.0058 2508 TYR 42 CE2 -0.0051 -0.0038 -0.0053 2509 TYR 42 CZ -0.0053 -0.0030 -0.0057 2510 TYR 42 OH -0.0055 -0.0025 -0.0060 2511 PHE 43 N -0.0018 -0.0065 -0.0078 2512 PHE 43 CA 0.0004 -0.0040 -0.0065 2513 PHE 43 C -0.0005 -0.0033 -0.0059 2514 PHE 43 O -0.0006 -0.0010 -0.0042 2515 PHE 43 CB 0.0002 -0.0016 -0.0048 2516 PHE 43 CG 0.0009 -0.0020 -0.0052 2517 PHE 43 CD1 -0.0016 -0.0030 -0.0055 2518 PHE 43 CD2 0.0042 -0.0007 -0.0049 2519 PHE 43 CE1 -0.0006 -0.0032 -0.0057 2520 PHE 43 CE2 0.0046 -0.0014 -0.0054 2521 PHE 43 CZ 0.0026 -0.0025 -0.0058 2522 PRO 44 N -0.0004 -0.0055 -0.0073 2523 PRO 44 CA -0.0015 -0.0047 -0.0066 2524 PRO 44 C 0.0018 -0.0034 -0.0063 2525 PRO 44 O 0.0011 -0.0021 -0.0053 2526 PRO 44 CB -0.0018 -0.0079 -0.0088 2527 PRO 44 CG 0.0003 -0.0092 -0.0100 2528 PRO 44 CD 0.0002 -0.0083 -0.0094 2529 HIS 45 N 0.0041 -0.0031 -0.0065 2530 HIS 45 CA 0.0072 -0.0015 -0.0059 2531 HIS 45 C 0.0076 0.0017 -0.0038 2532 HIS 45 O 0.0102 0.0025 -0.0037 2533 HIS 45 CB 0.0099 -0.0027 -0.0072 2534 HIS 45 CG 0.0110 -0.0037 -0.0080 2535 HIS 45 ND1 0.0080 -0.0050 -0.0084 2536 HIS 45 CD2 0.0132 -0.0027 -0.0077 2537 HIS 45 CE1 0.0093 -0.0047 -0.0085 2538 HIS 45 NE2 0.0124 -0.0037 -0.0083 2539 PHE 46 N 0.0072 0.0015 -0.0061 2540 PHE 46 CA 0.0072 0.0019 -0.0049 2541 PHE 46 C 0.0070 0.0022 -0.0043 2542 PHE 46 O 0.0062 0.0021 -0.0045 2543 PHE 46 CB 0.0059 0.0021 -0.0046 2544 PHE 46 CG 0.0064 0.0021 -0.0047 2545 PHE 46 CD1 0.0059 0.0024 -0.0040 2546 PHE 46 CD2 0.0072 0.0017 -0.0054 2547 PHE 46 CE1 0.0061 0.0023 -0.0041 2548 PHE 46 CE2 0.0072 0.0018 -0.0053 2549 PHE 46 CZ 0.0066 0.0020 -0.0049 2550 ASP 47 N 0.0073 0.0027 -0.0030 2551 ASP 47 CA 0.0067 0.0031 -0.0023 2552 ASP 47 C 0.0055 0.0034 -0.0015 2553 ASP 47 O 0.0057 0.0035 -0.0012 2554 ASP 47 CB 0.0078 0.0034 -0.0011 2555 ASP 47 CG 0.0073 0.0038 -0.0004 2556 ASP 47 OD1 0.0063 0.0039 -0.0003 2557 ASP 47 OD2 0.0082 0.0041 0.0004 2558 LEU 48 N 0.0045 0.0033 -0.0020 2559 LEU 48 CA 0.0032 0.0035 -0.0015 2560 LEU 48 C 0.0028 0.0040 -0.0006 2561 LEU 48 O 0.0016 0.0042 -0.0000 2562 LEU 48 CB 0.0023 0.0032 -0.0026 2563 LEU 48 CG 0.0023 0.0027 -0.0037 2564 LEU 48 CD1 0.0015 0.0023 -0.0047 2565 LEU 48 CD2 0.0027 0.0027 -0.0037 2566 SER 49 N 0.0052 0.0060 -0.0006 2567 SER 49 CA 0.0052 0.0058 -0.0020 2568 SER 49 C 0.0053 0.0071 -0.0004 2569 SER 49 O 0.0053 0.0073 0.0018 2570 SER 49 CB 0.0050 0.0035 -0.0033 2571 SER 49 OG 0.0049 0.0020 -0.0022 2572 HIS 50 N 0.0054 0.0084 -0.0018 2573 HIS 50 CA 0.0055 0.0096 -0.0004 2574 HIS 50 C 0.0054 0.0077 0.0014 2575 HIS 50 O 0.0052 0.0060 0.0003 2576 HIS 50 CB 0.0055 0.0111 -0.0022 2577 HIS 50 CG 0.0057 0.0123 -0.0007 2578 HIS 50 ND1 0.0056 0.0115 -0.0007 2579 HIS 50 CD2 0.0058 0.0138 0.0009 2580 HIS 50 CE1 0.0057 0.0126 0.0009 2581 HIS 50 NE2 0.0059 0.0145 0.0024 2582 GLY 51 N 0.0054 0.0083 0.0034 2583 GLY 51 CA 0.0054 0.0069 0.0049 2584 GLY 51 C 0.0053 0.0052 0.0063 2585 GLY 51 O 0.0052 0.0039 0.0080 2586 SER 52 N 0.0043 0.0040 0.0085 2587 SER 52 CA 0.0060 0.0040 0.0064 2588 SER 52 C 0.0063 0.0040 0.0062 2589 SER 52 O 0.0046 0.0039 0.0060 2590 SER 52 CB 0.0054 0.0039 0.0043 2591 SER 52 OG 0.0069 0.0039 0.0026 2592 ALA 53 N 0.0082 0.0042 0.0064 2593 ALA 53 CA 0.0087 0.0042 0.0056 2594 ALA 53 C 0.0077 0.0040 0.0033 2595 ALA 53 O 0.0073 0.0040 0.0031 2596 ALA 53 CB 0.0107 0.0044 0.0067 2597 GLN 54 N 0.0083 0.0040 0.0021 2598 GLN 54 CA 0.0078 0.0038 -0.0005 2599 GLN 54 C 0.0049 0.0036 -0.0008 2600 GLN 54 O 0.0043 0.0034 -0.0020 2601 GLN 54 CB 0.0084 0.0038 -0.0021 2602 GLN 54 CG 0.0107 0.0040 -0.0025 2603 GLN 54 CD 0.0117 0.0040 -0.0041 2604 GLN 54 OE1 0.0111 0.0040 -0.0036 2605 GLN 54 NE2 0.0126 0.0040 -0.0061 2606 VAL 55 N -0.0006 0.0015 -0.0006 2607 VAL 55 CA -0.0002 0.0025 -0.0006 2608 VAL 55 C -0.0006 0.0023 -0.0001 2609 VAL 55 O -0.0007 0.0030 0.0004 2610 VAL 55 CB 0.0006 0.0026 -0.0015 2611 VAL 55 CG1 0.0009 0.0034 -0.0014 2612 VAL 55 CG2 0.0009 0.0028 -0.0018 2613 LYS 56 N -0.0009 0.0015 -0.0002 2614 LYS 56 CA -0.0013 0.0013 0.0002 2615 LYS 56 C -0.0018 0.0015 0.0010 2616 LYS 56 O -0.0021 0.0020 0.0017 2617 LYS 56 CB -0.0015 0.0002 -0.0001 2618 LYS 56 CG -0.0009 0.0000 -0.0011 2619 LYS 56 CD -0.0016 -0.0009 -0.0007 2620 LYS 56 CE -0.0005 -0.0011 -0.0023 2621 LYS 56 NZ -0.0011 -0.0022 -0.0021 2622 GLY 57 N -0.0022 0.0012 0.0014 2623 GLY 57 CA -0.0028 0.0013 0.0022 2624 GLY 57 C -0.0027 0.0024 0.0027 2625 GLY 57 O -0.0032 0.0028 0.0036 2626 HIS 58 N -0.0029 -0.0010 0.0031 2627 HIS 58 CA -0.0029 -0.0005 0.0032 2628 HIS 58 C -0.0030 -0.0001 0.0033 2629 HIS 58 O -0.0031 0.0003 0.0036 2630 HIS 58 CB -0.0027 -0.0002 0.0028 2631 HIS 58 CG -0.0027 0.0003 0.0029 2632 HIS 58 ND1 -0.0029 0.0003 0.0032 2633 HIS 58 CD2 -0.0025 0.0007 0.0027 2634 HIS 58 CE1 -0.0028 0.0009 0.0032 2635 HIS 58 NE2 -0.0025 0.0012 0.0028 2636 GLY 59 N -0.0028 -0.0003 0.0030 2637 GLY 59 CA -0.0028 0.0000 0.0031 2638 GLY 59 C -0.0031 0.0000 0.0036 2639 GLY 59 O -0.0033 0.0004 0.0038 2640 LYS 60 N -0.0033 -0.0005 0.0038 2641 LYS 60 CA -0.0036 -0.0005 0.0043 2642 LYS 60 C -0.0038 -0.0002 0.0046 2643 LYS 60 O -0.0040 0.0001 0.0049 2644 LYS 60 CB -0.0038 -0.0012 0.0043 2645 LYS 60 CG -0.0041 -0.0011 0.0048 2646 LYS 60 CD -0.0042 -0.0017 0.0050 2647 LYS 60 CE -0.0045 -0.0015 0.0053 2648 LYS 60 NZ -0.0047 -0.0015 0.0058 2649 LYS 61 N -0.0026 -0.0027 0.0084 2650 LYS 61 CA -0.0023 -0.0030 0.0097 2651 LYS 61 C -0.0002 -0.0037 0.0104 2652 LYS 61 O 0.0006 -0.0039 0.0106 2653 LYS 61 CB -0.0034 -0.0029 0.0113 2654 LYS 61 CG -0.0049 -0.0024 0.0109 2655 LYS 61 CD -0.0062 -0.0023 0.0121 2656 LYS 61 CE -0.0080 -0.0016 0.0113 2657 LYS 61 NZ -0.0088 -0.0018 0.0135 2658 VAL 62 N 0.0002 -0.0038 0.0107 2659 VAL 62 CA 0.0019 -0.0044 0.0112 2660 VAL 62 C 0.0034 -0.0046 0.0101 2661 VAL 62 O 0.0045 -0.0050 0.0103 2662 VAL 62 CB 0.0019 -0.0045 0.0117 2663 VAL 62 CG1 0.0037 -0.0050 0.0119 2664 VAL 62 CG2 0.0008 -0.0045 0.0133 2665 ALA 63 N 0.0028 -0.0042 0.0084 2666 ALA 63 CA 0.0040 -0.0043 0.0068 2667 ALA 63 C 0.0043 -0.0043 0.0068 2668 ALA 63 O 0.0056 -0.0046 0.0064 2669 ALA 63 CB 0.0035 -0.0038 0.0051 2670 ASP 64 N 0.0046 -0.0069 0.0098 2671 ASP 64 CA 0.0059 -0.0069 0.0083 2672 ASP 64 C 0.0066 -0.0088 0.0084 2673 ASP 64 O 0.0079 -0.0095 0.0073 2674 ASP 64 CB 0.0056 -0.0052 0.0078 2675 ASP 64 CG 0.0052 -0.0029 0.0072 2676 ASP 64 OD1 0.0052 -0.0027 0.0072 2677 ASP 64 OD2 0.0047 -0.0022 0.0075 2678 ALA 65 N 0.0058 -0.0097 0.0098 2679 ALA 65 CA 0.0064 -0.0116 0.0099 2680 ALA 65 C 0.0073 -0.0132 0.0097 2681 ALA 65 O 0.0084 -0.0143 0.0089 2682 ALA 65 CB 0.0054 -0.0125 0.0115 2683 LEU 66 N 0.0067 -0.0128 0.0103 2684 LEU 66 CA 0.0072 -0.0140 0.0102 2685 LEU 66 C 0.0085 -0.0137 0.0085 2686 LEU 66 O 0.0097 -0.0149 0.0078 2687 LEU 66 CB 0.0062 -0.0138 0.0112 2688 LEU 66 CG 0.0050 -0.0149 0.0130 2689 LEU 66 CD1 0.0040 -0.0141 0.0138 2690 LEU 66 CD2 0.0056 -0.0169 0.0134 2691 THR 67 N 0.0069 -0.0147 0.0098 2692 THR 67 CA 0.0069 -0.0151 0.0073 2693 THR 67 C 0.0068 -0.0149 0.0075 2694 THR 67 O 0.0079 -0.0159 0.0063 2695 THR 67 CB 0.0052 -0.0139 0.0060 2696 THR 67 OG1 0.0055 -0.0141 0.0058 2697 THR 67 CG2 0.0051 -0.0141 0.0035 2698 ASN 68 N 0.0055 -0.0137 0.0088 2699 ASN 68 CA 0.0056 -0.0138 0.0090 2700 ASN 68 C 0.0073 -0.0150 0.0102 2701 ASN 68 O 0.0080 -0.0156 0.0094 2702 ASN 68 CB 0.0039 -0.0123 0.0103 2703 ASN 68 CG 0.0036 -0.0120 0.0107 2704 ASN 68 OD1 0.0039 -0.0124 0.0097 2705 ASN 68 ND2 0.0031 -0.0113 0.0131 2706 ALA 69 N 0.0081 -0.0154 0.0118 2707 ALA 69 CA 0.0101 -0.0168 0.0130 2708 ALA 69 C 0.0115 -0.0182 0.0109 2709 ALA 69 O 0.0126 -0.0190 0.0114 2710 ALA 69 CB 0.0106 -0.0169 0.0151 2711 VAL 70 N 0.0102 -0.0197 0.0090 2712 VAL 70 CA 0.0105 -0.0215 0.0077 2713 VAL 70 C 0.0088 -0.0213 0.0065 2714 VAL 70 O 0.0094 -0.0220 0.0063 2715 VAL 70 CB 0.0109 -0.0225 0.0071 2716 VAL 70 CG1 0.0113 -0.0240 0.0060 2717 VAL 70 CG2 0.0125 -0.0227 0.0082 2718 ALA 71 N 0.0077 -0.0207 0.0062 2719 ALA 71 CA 0.0059 -0.0204 0.0050 2720 ALA 71 C 0.0061 -0.0200 0.0055 2721 ALA 71 O 0.0052 -0.0200 0.0048 2722 ALA 71 CB 0.0047 -0.0198 0.0045 2723 HIS 72 N 0.0065 -0.0188 0.0069 2724 HIS 72 CA 0.0067 -0.0180 0.0078 2725 HIS 72 C 0.0078 -0.0181 0.0086 2726 HIS 72 O 0.0083 -0.0169 0.0101 2727 HIS 72 CB 0.0055 -0.0159 0.0087 2728 HIS 72 CG 0.0041 -0.0156 0.0079 2729 HIS 72 ND1 0.0022 -0.0151 0.0068 2730 HIS 72 CD2 0.0032 -0.0158 0.0070 2731 HIS 72 CE1 0.0013 -0.0149 0.0063 2732 HIS 72 NE2 0.0014 -0.0152 0.0061 2733 VAL 73 N 0.0074 -0.0206 0.0062 2734 VAL 73 CA 0.0092 -0.0238 0.0099 2735 VAL 73 C 0.0100 -0.0261 0.0096 2736 VAL 73 O 0.0112 -0.0274 0.0140 2737 VAL 73 CB 0.0112 -0.0287 0.0112 2738 VAL 73 CG1 0.0109 -0.0303 0.0057 2739 VAL 73 CG2 0.0126 -0.0301 0.0165 2740 ASP 74 N 0.0091 -0.0260 0.0045 2741 ASP 74 CA 0.0098 -0.0282 0.0040 2742 ASP 74 C 0.0089 -0.0247 0.0058 2743 ASP 74 O 0.0091 -0.0259 0.0047 2744 ASP 74 CB 0.0098 -0.0305 -0.0018 2745 ASP 74 CG 0.0108 -0.0344 -0.0041 2746 ASP 74 OD1 0.0129 -0.0390 -0.0012 2747 ASP 74 OD2 0.0106 -0.0352 -0.0074 2748 ASP 75 N 0.0073 -0.0201 0.0063 2749 ASP 75 CA 0.0058 -0.0154 0.0078 2750 ASP 75 C 0.0049 -0.0117 0.0109 2751 ASP 75 O 0.0033 -0.0073 0.0109 2752 ASP 75 CB 0.0040 -0.0131 0.0020 2753 ASP 75 CG 0.0025 -0.0098 0.0003 2754 ASP 75 OD1 0.0033 -0.0108 0.0029 2755 ASP 75 OD2 0.0010 -0.0066 -0.0017 2756 MET 76 N 0.0049 -0.0084 0.0115 2757 MET 76 CA 0.0067 -0.0065 0.0133 2758 MET 76 C 0.0067 -0.0030 0.0143 2759 MET 76 O 0.0066 -0.0014 0.0146 2760 MET 76 CB 0.0098 -0.0092 0.0149 2761 MET 76 CG 0.0096 -0.0128 0.0139 2762 MET 76 SD 0.0141 -0.0145 0.0168 2763 MET 76 CE 0.0149 -0.0151 0.0172 2764 PRO 77 N 0.0069 -0.0016 0.0148 2765 PRO 77 CA 0.0065 0.0025 0.0156 2766 PRO 77 C 0.0046 0.0050 0.0148 2767 PRO 77 O 0.0048 0.0075 0.0156 2768 PRO 77 CB 0.0069 0.0032 0.0161 2769 PRO 77 CG 0.0077 0.0001 0.0159 2770 PRO 77 CD 0.0066 -0.0027 0.0143 2771 ASN 78 N 0.0017 0.0044 0.0125 2772 ASN 78 CA -0.0007 0.0056 0.0110 2773 ASN 78 C -0.0007 0.0057 0.0110 2774 ASN 78 O -0.0010 0.0074 0.0112 2775 ASN 78 CB -0.0038 0.0059 0.0087 2776 ASN 78 CG -0.0068 0.0085 0.0071 2777 ASN 78 OD1 -0.0064 0.0116 0.0082 2778 ASN 78 ND2 -0.0083 0.0069 0.0055 2779 ALA 79 N -0.0019 0.0053 0.0114 2780 ALA 79 CA -0.0006 0.0037 0.0124 2781 ALA 79 C 0.0024 0.0039 0.0124 2782 ALA 79 O 0.0034 0.0030 0.0129 2783 ALA 79 CB -0.0007 0.0014 0.0136 2784 LEU 80 N 0.0032 0.0048 0.0119 2785 LEU 80 CA 0.0060 0.0051 0.0118 2786 LEU 80 C 0.0068 0.0076 0.0105 2787 LEU 80 O 0.0089 0.0080 0.0103 2788 LEU 80 CB 0.0067 0.0048 0.0120 2789 LEU 80 CG 0.0061 0.0024 0.0133 2790 LEU 80 CD1 0.0071 0.0022 0.0135 2791 LEU 80 CD2 0.0073 0.0011 0.0141 2792 SER 81 N 0.0051 0.0088 0.0098 2793 SER 81 CA 0.0057 0.0112 0.0085 2794 SER 81 C 0.0081 0.0113 0.0085 2795 SER 81 O 0.0096 0.0127 0.0078 2796 SER 81 CB 0.0033 0.0116 0.0082 2797 SER 81 OG 0.0037 0.0140 0.0069 2798 ALA 82 N 0.0107 0.0127 0.0055 2799 ALA 82 CA 0.0117 0.0116 0.0046 2800 ALA 82 C 0.0094 0.0120 0.0043 2801 ALA 82 O 0.0089 0.0110 0.0032 2802 ALA 82 CB 0.0147 0.0124 0.0064 2803 LEU 83 N 0.0069 0.0146 0.0062 2804 LEU 83 CA 0.0047 0.0150 0.0059 2805 LEU 83 C 0.0018 0.0139 0.0039 2806 LEU 83 O 0.0004 0.0132 0.0027 2807 LEU 83 CB 0.0030 0.0177 0.0082 2808 LEU 83 CG 0.0048 0.0192 0.0103 2809 LEU 83 CD1 0.0026 0.0218 0.0123 2810 LEU 83 CD2 0.0056 0.0184 0.0097 2811 SER 84 N 0.0014 0.0134 0.0032 2812 SER 84 CA -0.0008 0.0118 0.0009 2813 SER 84 C 0.0002 0.0094 -0.0013 2814 SER 84 O -0.0014 0.0082 -0.0030 2815 SER 84 CB -0.0020 0.0108 -0.0005 2816 SER 84 OG -0.0018 0.0127 0.0015 2817 ASP 85 N 0.0008 0.0093 -0.0027 2818 ASP 85 CA -0.0005 0.0071 -0.0022 2819 ASP 85 C -0.0030 0.0071 -0.0029 2820 ASP 85 O -0.0045 0.0056 -0.0028 2821 ASP 85 CB 0.0010 0.0065 -0.0016 2822 ASP 85 CG 0.0033 0.0056 -0.0005 2823 ASP 85 OD1 0.0039 0.0050 -0.0002 2824 ASP 85 OD2 0.0048 0.0056 -0.0002 2825 LEU 86 N -0.0033 0.0093 -0.0039 2826 LEU 86 CA -0.0055 0.0095 -0.0046 2827 LEU 86 C -0.0078 0.0093 -0.0052 2828 LEU 86 O -0.0096 0.0083 -0.0053 2829 LEU 86 CB -0.0054 0.0118 -0.0054 2830 LEU 86 CG -0.0075 0.0122 -0.0062 2831 LEU 86 CD1 -0.0081 0.0102 -0.0056 2832 LEU 86 CD2 -0.0073 0.0145 -0.0070 2833 HIS 87 N -0.0070 0.0107 -0.0055 2834 HIS 87 CA -0.0089 0.0111 -0.0062 2835 HIS 87 C -0.0095 0.0085 -0.0053 2836 HIS 87 O -0.0116 0.0079 -0.0057 2837 HIS 87 CB -0.0084 0.0131 -0.0068 2838 HIS 87 CG -0.0086 0.0154 -0.0077 2839 HIS 87 ND1 -0.0070 0.0163 -0.0076 2840 HIS 87 CD2 -0.0105 0.0169 -0.0089 2841 HIS 87 CE1 -0.0078 0.0184 -0.0087 2842 HIS 87 NE2 -0.0096 0.0187 -0.0093 2843 ALA 88 N -0.0076 0.0081 -0.0080 2844 ALA 88 CA -0.0072 0.0072 -0.0059 2845 ALA 88 C -0.0096 0.0066 -0.0043 2846 ALA 88 O -0.0097 0.0060 -0.0028 2847 ALA 88 CB -0.0052 0.0066 -0.0048 2848 HIS 89 N -0.0106 0.0067 -0.0045 2849 HIS 89 CA -0.0127 0.0063 -0.0032 2850 HIS 89 C -0.0150 0.0067 -0.0039 2851 HIS 89 O -0.0166 0.0061 -0.0023 2852 HIS 89 CB -0.0120 0.0059 -0.0023 2853 HIS 89 CG -0.0096 0.0053 -0.0012 2854 HIS 89 ND1 -0.0088 0.0045 0.0005 2855 HIS 89 CD2 -0.0081 0.0055 -0.0019 2856 HIS 89 CE1 -0.0068 0.0045 0.0003 2857 HIS 89 NE2 -0.0060 0.0049 -0.0007 2858 LYS 90 N -0.0155 0.0075 -0.0057 2859 LYS 90 CA -0.0175 0.0080 -0.0067 2860 LYS 90 C -0.0181 0.0085 -0.0077 2861 LYS 90 O -0.0195 0.0082 -0.0069 2862 LYS 90 CB -0.0185 0.0086 -0.0079 2863 LYS 90 CG -0.0209 0.0090 -0.0087 2864 LYS 90 CD -0.0213 0.0098 -0.0103 2865 LYS 90 CE -0.0246 0.0100 -0.0104 2866 LYS 90 NZ -0.0253 0.0097 -0.0098 2867 LEU 91 N -0.0157 0.0089 -0.0087 2868 LEU 91 CA -0.0153 0.0087 -0.0088 2869 LEU 91 C -0.0144 0.0083 -0.0077 2870 LEU 91 O -0.0145 0.0084 -0.0072 2871 LEU 91 CB -0.0148 0.0083 -0.0103 2872 LEU 91 CG -0.0156 0.0087 -0.0112 2873 LEU 91 CD1 -0.0150 0.0082 -0.0126 2874 LEU 91 CD2 -0.0166 0.0092 -0.0113 2875 ARG 92 N -0.0135 0.0079 -0.0074 2876 ARG 92 CA -0.0127 0.0075 -0.0062 2877 ARG 92 C -0.0120 0.0072 -0.0062 2878 ARG 92 O -0.0119 0.0072 -0.0055 2879 ARG 92 CB -0.0134 0.0080 -0.0049 2880 ARG 92 CG -0.0136 0.0081 -0.0046 2881 ARG 92 CD -0.0144 0.0086 -0.0035 2882 ARG 92 NE -0.0141 0.0085 -0.0032 2883 ARG 92 CZ -0.0165 0.0099 -0.0020 2884 ARG 92 NH1 -0.0171 0.0100 -0.0036 2885 ARG 92 NH2 -0.0158 0.0095 -0.0020 2886 VAL 93 N -0.0116 0.0068 -0.0076 2887 VAL 93 CA -0.0109 0.0064 -0.0078 2888 VAL 93 C -0.0096 0.0058 -0.0072 2889 VAL 93 O -0.0090 0.0055 -0.0074 2890 VAL 93 CB -0.0107 0.0062 -0.0094 2891 VAL 93 CG1 -0.0099 0.0058 -0.0098 2892 VAL 93 CG2 -0.0120 0.0068 -0.0100 2893 ASP 94 N -0.0054 0.0068 -0.0035 2894 ASP 94 CA -0.0047 0.0064 -0.0032 2895 ASP 94 C -0.0046 0.0051 -0.0039 2896 ASP 94 O -0.0045 0.0043 -0.0043 2897 ASP 94 CB -0.0035 0.0063 -0.0021 2898 ASP 94 CG -0.0028 0.0062 -0.0015 2899 ASP 94 OD1 -0.0027 0.0069 -0.0009 2900 ASP 94 OD2 -0.0023 0.0050 -0.0018 2901 PRO 95 N -0.0046 0.0050 -0.0040 2902 PRO 95 CA -0.0046 0.0037 -0.0048 2903 PRO 95 C -0.0037 0.0027 -0.0046 2904 PRO 95 O -0.0039 0.0017 -0.0054 2905 PRO 95 CB -0.0045 0.0039 -0.0046 2906 PRO 95 CG -0.0050 0.0051 -0.0042 2907 PRO 95 CD -0.0047 0.0058 -0.0035 2908 VAL 96 N -0.0027 0.0026 -0.0037 2909 VAL 96 CA -0.0019 0.0016 -0.0036 2910 VAL 96 C -0.0022 0.0010 -0.0043 2911 VAL 96 O -0.0018 -0.0001 -0.0047 2912 VAL 96 CB -0.0009 0.0020 -0.0025 2913 VAL 96 CG1 -0.0007 0.0025 -0.0020 2914 VAL 96 CG2 -0.0009 0.0026 -0.0020 2915 ASN 97 N -0.0021 0.0008 -0.0032 2916 ASN 97 CA -0.0023 0.0002 -0.0036 2917 ASN 97 C -0.0028 -0.0004 -0.0043 2918 ASN 97 O -0.0028 -0.0011 -0.0047 2919 ASN 97 CB -0.0027 0.0009 -0.0035 2920 ASN 97 CG -0.0021 0.0014 -0.0028 2921 ASN 97 OD1 -0.0014 0.0011 -0.0026 2922 ASN 97 ND2 -0.0023 0.0023 -0.0025 2923 PHE 98 N -0.0033 -0.0002 -0.0045 2924 PHE 98 CA -0.0038 -0.0008 -0.0051 2925 PHE 98 C -0.0032 -0.0018 -0.0053 2926 PHE 98 O -0.0034 -0.0025 -0.0059 2927 PHE 98 CB -0.0044 -0.0004 -0.0053 2928 PHE 98 CG -0.0051 0.0004 -0.0052 2929 PHE 98 CD1 -0.0060 0.0003 -0.0058 2930 PHE 98 CD2 -0.0050 0.0012 -0.0047 2931 PHE 98 CE1 -0.0067 0.0009 -0.0058 2932 PHE 98 CE2 -0.0058 0.0018 -0.0048 2933 PHE 98 CZ -0.0066 0.0018 -0.0053 2934 LYS 99 N -0.0024 -0.0017 -0.0048 2935 LYS 99 CA -0.0018 -0.0026 -0.0050 2936 LYS 99 C -0.0016 -0.0033 -0.0052 2937 LYS 99 O -0.0013 -0.0040 -0.0055 2938 LYS 99 CB -0.0010 -0.0025 -0.0045 2939 LYS 99 CG -0.0006 -0.0024 -0.0041 2940 LYS 99 CD 0.0004 -0.0024 -0.0036 2941 LYS 99 CE 0.0013 -0.0027 -0.0032 2942 LYS 99 NZ 0.0021 -0.0023 -0.0025 2943 LEU 100 N -0.0010 -0.0032 -0.0034 2944 LEU 100 CA -0.0003 -0.0034 -0.0027 2945 LEU 100 C -0.0005 -0.0038 -0.0026 2946 LEU 100 O -0.0005 -0.0044 -0.0021 2947 LEU 100 CB 0.0005 -0.0029 -0.0026 2948 LEU 100 CG 0.0006 -0.0025 -0.0028 2949 LEU 100 CD1 0.0015 -0.0020 -0.0027 2950 LEU 100 CD2 0.0005 -0.0031 -0.0025 2951 LEU 101 N -0.0007 -0.0034 -0.0030 2952 LEU 101 CA -0.0008 -0.0037 -0.0029 2953 LEU 101 C -0.0016 -0.0043 -0.0029 2954 LEU 101 O -0.0016 -0.0048 -0.0025 2955 LEU 101 CB -0.0009 -0.0031 -0.0034 2956 LEU 101 CG -0.0011 -0.0033 -0.0033 2957 LEU 101 CD1 -0.0005 -0.0037 -0.0026 2958 LEU 101 CD2 -0.0010 -0.0027 -0.0038 2959 SER 102 N -0.0022 -0.0043 -0.0033 2960 SER 102 CA -0.0029 -0.0048 -0.0033 2961 SER 102 C -0.0027 -0.0055 -0.0027 2962 SER 102 O -0.0031 -0.0061 -0.0025 2963 SER 102 CB -0.0034 -0.0046 -0.0038 2964 SER 102 OG -0.0037 -0.0041 -0.0044 2965 HIS 103 N -0.0009 -0.0008 -0.0018 2966 HIS 103 CA -0.0004 -0.0009 -0.0024 2967 HIS 103 C -0.0008 -0.0013 -0.0029 2968 HIS 103 O -0.0006 -0.0014 -0.0034 2969 HIS 103 CB -0.0001 -0.0007 -0.0024 2970 HIS 103 CG 0.0003 -0.0008 -0.0030 2971 HIS 103 ND1 0.0002 -0.0010 -0.0034 2972 HIS 103 CD2 0.0008 -0.0007 -0.0033 2973 HIS 103 CE1 0.0008 -0.0010 -0.0039 2974 HIS 103 NE2 0.0012 -0.0008 -0.0039 2975 CYS 104 N -0.0013 -0.0015 -0.0029 2976 CYS 104 CA -0.0017 -0.0020 -0.0034 2977 CYS 104 C -0.0020 -0.0022 -0.0035 2978 CYS 104 O -0.0020 -0.0024 -0.0040 2979 CYS 104 CB -0.0021 -0.0022 -0.0034 2980 CYS 104 SG -0.0017 -0.0020 -0.0034 2981 LEU 105 N -0.0022 -0.0020 -0.0030 2982 LEU 105 CA -0.0024 -0.0022 -0.0031 2983 LEU 105 C -0.0018 -0.0020 -0.0034 2984 LEU 105 O -0.0020 -0.0023 -0.0038 2985 LEU 105 CB -0.0026 -0.0020 -0.0024 2986 LEU 105 CG -0.0031 -0.0022 -0.0023 2987 LEU 105 CD1 -0.0038 -0.0025 -0.0023 2988 LEU 105 CD2 -0.0033 -0.0018 -0.0014 2989 LEU 106 N -0.0028 0.0006 -0.0052 2990 LEU 106 CA -0.0026 -0.0006 -0.0052 2991 LEU 106 C -0.0027 -0.0003 -0.0046 2992 LEU 106 O -0.0026 -0.0007 -0.0053 2993 LEU 106 CB -0.0024 -0.0019 -0.0049 2994 LEU 106 CG -0.0022 -0.0026 -0.0057 2995 LEU 106 CD1 -0.0021 -0.0036 -0.0050 2996 LEU 106 CD2 -0.0020 -0.0028 -0.0072 2997 VAL 107 N -0.0029 0.0000 -0.0035 2998 VAL 107 CA -0.0030 0.0004 -0.0026 2999 VAL 107 C -0.0031 0.0013 -0.0034 3000 VAL 107 O -0.0031 0.0012 -0.0037 3001 VAL 107 CB -0.0032 0.0008 -0.0012 3002 VAL 107 CG1 -0.0034 0.0013 -0.0007 3003 VAL 107 CG2 -0.0031 -0.0003 -0.0005 3004 THR 108 N -0.0032 0.0023 -0.0041 3005 THR 108 CA -0.0034 0.0033 -0.0048 3006 THR 108 C -0.0031 0.0026 -0.0060 3007 THR 108 O -0.0031 0.0030 -0.0063 3008 THR 108 CB -0.0035 0.0044 -0.0052 3009 THR 108 OG1 -0.0037 0.0048 -0.0040 3010 THR 108 CG2 -0.0036 0.0055 -0.0060 3011 LEU 109 N -0.0031 0.0011 -0.0071 3012 LEU 109 CA -0.0025 0.0012 -0.0075 3013 LEU 109 C -0.0028 0.0015 -0.0073 3014 LEU 109 O -0.0025 0.0019 -0.0076 3015 LEU 109 CB -0.0020 0.0005 -0.0076 3016 LEU 109 CG -0.0015 0.0003 -0.0079 3017 LEU 109 CD1 -0.0011 -0.0006 -0.0080 3018 LEU 109 CD2 -0.0013 0.0010 -0.0081 3019 ALA 110 N -0.0032 0.0009 -0.0070 3020 ALA 110 CA -0.0035 0.0010 -0.0068 3021 ALA 110 C -0.0037 0.0019 -0.0068 3022 ALA 110 O -0.0037 0.0023 -0.0069 3023 ALA 110 CB -0.0040 0.0004 -0.0064 3024 ALA 111 N -0.0042 0.0023 -0.0066 3025 ALA 111 CA -0.0046 0.0031 -0.0065 3026 ALA 111 C -0.0040 0.0038 -0.0069 3027 ALA 111 O -0.0044 0.0044 -0.0069 3028 ALA 111 CB -0.0051 0.0031 -0.0062 3029 HIS 112 N -0.0041 0.0075 -0.0078 3030 HIS 112 CA -0.0042 0.0082 -0.0096 3031 HIS 112 C -0.0045 0.0063 -0.0111 3032 HIS 112 O -0.0047 0.0068 -0.0125 3033 HIS 112 CB -0.0042 0.0104 -0.0109 3034 HIS 112 CG -0.0039 0.0121 -0.0094 3035 HIS 112 ND1 -0.0036 0.0134 -0.0078 3036 HIS 112 CD2 -0.0037 0.0138 -0.0088 3037 HIS 112 CE1 -0.0034 0.0151 -0.0069 3038 HIS 112 NE2 -0.0034 0.0155 -0.0074 3039 LEU 113 N -0.0047 0.0048 -0.0118 3040 LEU 113 CA -0.0051 0.0028 -0.0133 3041 LEU 113 C -0.0051 0.0004 -0.0119 3042 LEU 113 O -0.0053 -0.0008 -0.0130 3043 LEU 113 CB -0.0052 0.0029 -0.0146 3044 LEU 113 CG -0.0053 0.0047 -0.0161 3045 LEU 113 CD1 -0.0055 0.0036 -0.0173 3046 LEU 113 CD2 -0.0053 0.0058 -0.0171 3047 PRO 114 N -0.0050 -0.0001 -0.0109 3048 PRO 114 CA -0.0049 -0.0023 -0.0090 3049 PRO 114 C -0.0054 -0.0045 -0.0113 3050 PRO 114 O -0.0055 -0.0056 -0.0116 3051 PRO 114 CB -0.0047 -0.0011 -0.0077 3052 PRO 114 CG -0.0049 -0.0002 -0.0098 3053 PRO 114 CD -0.0048 0.0018 -0.0107 3054 ALA 115 N -0.0076 -0.0006 -0.0140 3055 ALA 115 CA -0.0072 -0.0015 -0.0150 3056 ALA 115 C -0.0071 -0.0019 -0.0152 3057 ALA 115 O -0.0066 -0.0031 -0.0155 3058 ALA 115 CB -0.0072 -0.0016 -0.0166 3059 GLU 116 N -0.0074 -0.0010 -0.0151 3060 GLU 116 CA -0.0073 -0.0013 -0.0157 3061 GLU 116 C -0.0072 -0.0016 -0.0143 3062 GLU 116 O -0.0069 -0.0025 -0.0147 3063 GLU 116 CB -0.0079 0.0002 -0.0158 3064 GLU 116 CG -0.0085 0.0017 -0.0164 3065 GLU 116 CD -0.0083 0.0011 -0.0179 3066 GLU 116 OE1 -0.0079 0.0002 -0.0184 3067 GLU 116 OE2 -0.0085 0.0017 -0.0181 3068 PHE 117 N -0.0073 -0.0014 -0.0131 3069 PHE 117 CA -0.0071 -0.0019 -0.0117 3070 PHE 117 C -0.0066 -0.0033 -0.0112 3071 PHE 117 O -0.0065 -0.0036 -0.0101 3072 PHE 117 CB -0.0076 -0.0009 -0.0105 3073 PHE 117 CG -0.0077 -0.0007 -0.0093 3074 PHE 117 CD1 -0.0079 -0.0001 -0.0096 3075 PHE 117 CD2 -0.0075 -0.0012 -0.0078 3076 PHE 117 CE1 -0.0080 0.0000 -0.0083 3077 PHE 117 CE2 -0.0075 -0.0013 -0.0067 3078 PHE 117 CZ -0.0077 -0.0006 -0.0071 3079 THR 118 N -0.0081 0.0000 -0.0127 3080 THR 118 CA -0.0064 0.0005 -0.0128 3081 THR 118 C -0.0057 0.0012 -0.0113 3082 THR 118 O -0.0069 0.0012 -0.0103 3083 THR 118 CB -0.0061 0.0008 -0.0123 3084 THR 118 OG1 -0.0065 0.0002 -0.0137 3085 THR 118 CG2 -0.0065 0.0010 -0.0112 3086 PRO 119 N -0.0045 0.0016 -0.0113 3087 PRO 119 CA -0.0038 0.0022 -0.0099 3088 PRO 119 C -0.0045 0.0025 -0.0084 3089 PRO 119 O -0.0048 0.0028 -0.0071 3090 PRO 119 CB -0.0021 0.0026 -0.0102 3091 PRO 119 CG -0.0017 0.0021 -0.0121 3092 PRO 119 CD -0.0031 0.0015 -0.0128 3093 ALA 120 N -0.0042 0.0025 -0.0084 3094 ALA 120 CA -0.0046 0.0028 -0.0070 3095 ALA 120 C -0.0064 0.0025 -0.0065 3096 ALA 120 O -0.0069 0.0028 -0.0049 3097 ALA 120 CB -0.0043 0.0029 -0.0072 3098 VAL 121 N -0.0060 -0.0023 -0.0057 3099 VAL 121 CA -0.0074 -0.0028 -0.0055 3100 VAL 121 C -0.0079 -0.0028 -0.0049 3101 VAL 121 O -0.0086 -0.0029 -0.0040 3102 VAL 121 CB -0.0081 -0.0032 -0.0066 3103 VAL 121 CG1 -0.0095 -0.0036 -0.0063 3104 VAL 121 CG2 -0.0077 -0.0030 -0.0066 3105 HIS 122 N -0.0074 -0.0027 -0.0055 3106 HIS 122 CA -0.0076 -0.0028 -0.0051 3107 HIS 122 C -0.0074 -0.0025 -0.0037 3108 HIS 122 O -0.0082 -0.0026 -0.0029 3109 HIS 122 CB -0.0070 -0.0027 -0.0061 3110 HIS 122 CG -0.0070 -0.0027 -0.0060 3111 HIS 122 ND1 -0.0065 -0.0026 -0.0069 3112 HIS 122 CD2 -0.0077 -0.0028 -0.0049 3113 HIS 122 CE1 -0.0067 -0.0026 -0.0064 3114 HIS 122 NE2 -0.0075 -0.0028 -0.0053 3115 ALA 123 N -0.0063 -0.0020 -0.0033 3116 ALA 123 CA -0.0059 -0.0017 -0.0019 3117 ALA 123 C -0.0068 -0.0018 -0.0010 3118 ALA 123 O -0.0073 -0.0019 -0.0000 3119 ALA 123 CB -0.0045 -0.0011 -0.0019 3120 SER 124 N -0.0070 -0.0084 0.0006 3121 SER 124 CA -0.0073 -0.0084 0.0009 3122 SER 124 C -0.0072 -0.0088 0.0008 3123 SER 124 O -0.0074 -0.0086 0.0010 3124 SER 124 CB -0.0077 -0.0087 0.0013 3125 SER 124 OG -0.0078 -0.0084 0.0014 3126 LEU 125 N -0.0070 -0.0092 0.0006 3127 LEU 125 CA -0.0069 -0.0096 0.0005 3128 LEU 125 C -0.0066 -0.0093 0.0002 3129 LEU 125 O -0.0067 -0.0093 0.0003 3130 LEU 125 CB -0.0067 -0.0101 0.0003 3131 LEU 125 CG -0.0070 -0.0106 0.0006 3132 LEU 125 CD1 -0.0067 -0.0111 0.0003 3133 LEU 125 CD2 -0.0073 -0.0109 0.0009 3134 ASP 126 N -0.0063 -0.0089 -0.0000 3135 ASP 126 CA -0.0060 -0.0086 -0.0003 3136 ASP 126 C -0.0063 -0.0082 -0.0000 3137 ASP 126 O -0.0063 -0.0081 -0.0001 3138 ASP 126 CB -0.0057 -0.0083 -0.0006 3139 ASP 126 CG -0.0053 -0.0081 -0.0010 3140 ASP 126 OD1 -0.0053 -0.0084 -0.0011 3141 ASP 126 OD2 -0.0053 -0.0076 -0.0010 3142 LYS 127 N -0.0067 -0.0102 0.0021 3143 LYS 127 CA -0.0068 -0.0103 0.0016 3144 LYS 127 C -0.0055 -0.0111 0.0021 3145 LYS 127 O -0.0050 -0.0116 0.0010 3146 LYS 127 CB -0.0077 -0.0095 0.0024 3147 LYS 127 CG -0.0089 -0.0087 0.0019 3148 LYS 127 CD -0.0099 -0.0079 0.0026 3149 LYS 127 CE -0.0098 -0.0080 0.0024 3150 LYS 127 NZ -0.0108 -0.0071 0.0031 3151 PHE 128 N -0.0050 -0.0113 0.0033 3152 PHE 128 CA -0.0039 -0.0121 0.0038 3153 PHE 128 C -0.0027 -0.0130 0.0027 3154 PHE 128 O -0.0021 -0.0136 0.0022 3155 PHE 128 CB -0.0033 -0.0122 0.0054 3156 PHE 128 CG -0.0018 -0.0132 0.0059 3157 PHE 128 CD1 -0.0016 -0.0133 0.0061 3158 PHE 128 CD2 -0.0013 -0.0135 0.0060 3159 PHE 128 CE1 -0.0003 -0.0142 0.0066 3160 PHE 128 CE2 0.0001 -0.0145 0.0064 3161 PHE 128 CZ 0.0004 -0.0147 0.0067 3162 LEU 129 N -0.0027 -0.0131 0.0024 3163 LEU 129 CA -0.0017 -0.0139 0.0014 3164 LEU 129 C -0.0021 -0.0139 -0.0002 3165 LEU 129 O -0.0012 -0.0147 -0.0011 3166 LEU 129 CB -0.0018 -0.0139 0.0012 3167 LEU 129 CG -0.0013 -0.0141 0.0027 3168 LEU 129 CD1 -0.0014 -0.0140 0.0029 3169 LEU 129 CD2 -0.0000 -0.0149 0.0032 3170 ALA 130 N -0.0018 -0.0107 0.0036 3171 ALA 130 CA -0.0019 -0.0091 0.0027 3172 ALA 130 C -0.0030 -0.0080 0.0020 3173 ALA 130 O -0.0026 -0.0065 0.0011 3174 ALA 130 CB -0.0025 -0.0088 0.0025 3175 SER 131 N -0.0046 -0.0086 0.0023 3176 SER 131 CA -0.0060 -0.0075 0.0016 3177 SER 131 C -0.0051 -0.0076 0.0017 3178 SER 131 O -0.0053 -0.0061 0.0008 3179 SER 131 CB -0.0081 -0.0086 0.0022 3180 SER 131 OG -0.0087 -0.0085 0.0021 3181 VAL 132 N -0.0042 -0.0088 0.0024 3182 VAL 132 CA -0.0033 -0.0087 0.0024 3183 VAL 132 C -0.0017 -0.0074 0.0016 3184 VAL 132 O -0.0015 -0.0062 0.0009 3185 VAL 132 CB -0.0025 -0.0102 0.0033 3186 VAL 132 CG1 -0.0011 -0.0100 0.0032 3187 VAL 132 CG2 -0.0042 -0.0116 0.0041 3188 SER 133 N -0.0018 -0.0015 0.0018 3189 SER 133 CA -0.0004 -0.0006 0.0001 3190 SER 133 C -0.0012 0.0013 -0.0007 3191 SER 133 O 0.0000 0.0014 -0.0018 3192 SER 133 CB 0.0005 -0.0001 -0.0011 3193 SER 133 OG 0.0015 -0.0022 -0.0004 3194 THR 134 N -0.0026 0.0026 -0.0005 3195 THR 134 CA -0.0036 0.0045 -0.0011 3196 THR 134 C -0.0041 0.0042 -0.0005 3197 THR 134 O -0.0034 0.0050 -0.0016 3198 THR 134 CB -0.0055 0.0058 -0.0005 3199 THR 134 OG1 -0.0050 0.0064 -0.0014 3200 THR 134 CG2 -0.0066 0.0077 -0.0010 3201 VAL 135 N -0.0047 0.0028 0.0010 3202 VAL 135 CA -0.0052 0.0024 0.0017 3203 VAL 135 C -0.0031 0.0017 0.0006 3204 VAL 135 O -0.0032 0.0021 0.0003 3205 VAL 135 CB -0.0064 0.0009 0.0037 3206 VAL 135 CG1 -0.0065 0.0002 0.0044 3207 VAL 135 CG2 -0.0082 0.0020 0.0045 3208 LEU 136 N -0.0040 0.0079 -0.0006 3209 LEU 136 CA -0.0029 0.0078 -0.0007 3210 LEU 136 C -0.0029 0.0079 -0.0018 3211 LEU 136 O -0.0019 0.0079 -0.0022 3212 LEU 136 CB -0.0027 0.0078 0.0002 3213 LEU 136 CG -0.0025 0.0078 0.0012 3214 LEU 136 CD1 -0.0020 0.0077 0.0020 3215 LEU 136 CD2 -0.0017 0.0078 0.0011 3216 THR 137 N -0.0038 0.0079 -0.0022 3217 THR 137 CA -0.0037 0.0079 -0.0032 3218 THR 137 C -0.0042 0.0080 -0.0043 3219 THR 137 O -0.0042 0.0080 -0.0050 3220 THR 137 CB -0.0045 0.0079 -0.0030 3221 THR 137 OG1 -0.0054 0.0079 -0.0029 3222 THR 137 CG2 -0.0038 0.0079 -0.0022 3223 SER 138 N -0.0045 0.0080 -0.0041 3224 SER 138 CA -0.0049 0.0080 -0.0050 3225 SER 138 C -0.0042 0.0081 -0.0060 3226 SER 138 O -0.0048 0.0081 -0.0067 3227 SER 138 CB -0.0046 0.0080 -0.0042 3228 SER 138 OG -0.0056 0.0080 -0.0044 3229 LYS 139 N -0.0031 0.0085 -0.0059 3230 LYS 139 CA -0.0029 0.0078 -0.0059 3231 LYS 139 C -0.0037 0.0075 -0.0059 3232 LYS 139 O -0.0037 0.0070 -0.0059 3233 LYS 139 CB -0.0025 0.0082 -0.0059 3234 LYS 139 CG -0.0016 0.0083 -0.0059 3235 LYS 139 CD -0.0013 0.0086 -0.0059 3236 LYS 139 CE -0.0002 0.0086 -0.0058 3237 LYS 139 NZ -0.0003 0.0093 -0.0058 3238 TYR 140 N -0.0043 0.0077 -0.0060 3239 TYR 140 CA -0.0050 0.0074 -0.0060 3240 TYR 140 C -0.0051 0.0066 -0.0060 3241 TYR 140 O -0.0056 0.0064 -0.0060 3242 TYR 140 CB -0.0057 0.0079 -0.0060 3243 TYR 140 CG -0.0060 0.0086 -0.0061 3244 TYR 140 CD1 -0.0066 0.0088 -0.0061 3245 TYR 140 CD2 -0.0054 0.0092 -0.0061 3246 TYR 140 CE1 -0.0068 0.0094 -0.0061 3247 TYR 140 CE2 -0.0057 0.0099 -0.0061 3248 TYR 140 CZ -0.0063 0.0100 -0.0061 3249 TYR 140 OH -0.0067 0.0106 -0.0062 3250 ARG 141 N -0.0048 0.0063 -0.0059 3251 ARG 141 CA -0.0049 0.0055 -0.0059 3252 ARG 141 C -0.0042 0.0051 -0.0059 3253 ARG 141 O -0.0039 0.0056 -0.0059 3254 ARG 141 CB -0.0057 0.0053 -0.0059 3255 ARG 141 CG -0.0058 0.0057 -0.0060 3256 ARG 141 CD -0.0067 0.0053 -0.0060 3257 ARG 141 NE -0.0068 0.0057 -0.0060 3258 ARG 141 CZ -0.0073 0.0054 -0.0060 3259 ARG 141 NH1 -0.0078 0.0049 -0.0060 3260 ARG 141 NH2 -0.0073 0.0059 -0.0060 3261 ARG 141 OXT -0.0043 0.0045 -0.0058 3262 VAL 1 N -0.0018 0.0080 0.0013 3263 VAL 1 CA -0.0021 0.0055 0.0035 3264 VAL 1 C -0.0046 0.0038 0.0011 3265 VAL 1 O -0.0045 0.0058 -0.0008 3266 VAL 1 CB -0.0008 0.0061 0.0051 3267 VAL 1 CG1 0.0013 0.0069 0.0077 3268 VAL 1 CG2 -0.0002 0.0079 0.0040 3269 HIS 2 N -0.0044 0.0025 0.0030 3270 HIS 2 CA -0.0058 0.0010 0.0023 3271 HIS 2 C -0.0057 0.0013 0.0021 3272 HIS 2 O -0.0055 -0.0007 0.0046 3273 HIS 2 CB -0.0082 -0.0020 0.0015 3274 HIS 2 CG -0.0094 -0.0026 0.0001 3275 HIS 2 ND1 -0.0095 -0.0055 0.0031 3276 HIS 2 CD2 -0.0113 -0.0028 -0.0028 3277 HIS 2 CE1 -0.0110 -0.0063 0.0015 3278 HIS 2 NE2 -0.0115 -0.0042 -0.0016 3279 LEU 3 N -0.0064 0.0024 -0.0003 3280 LEU 3 CA -0.0056 0.0030 0.0004 3281 LEU 3 C -0.0077 0.0005 -0.0005 3282 LEU 3 O -0.0087 0.0020 -0.0038 3283 LEU 3 CB -0.0046 0.0054 -0.0005 3284 LEU 3 CG -0.0025 0.0065 0.0017 3285 LEU 3 CD1 -0.0013 0.0089 0.0012 3286 LEU 3 CD2 -0.0016 0.0058 0.0040 3287 THR 4 N -0.0101 -0.0078 -0.0013 3288 THR 4 CA -0.0121 -0.0111 -0.0040 3289 THR 4 C -0.0129 -0.0065 -0.0085 3290 THR 4 O -0.0098 0.0000 -0.0050 3291 THR 4 CB -0.0115 -0.0185 0.0015 3292 THR 4 OG1 -0.0088 -0.0143 0.0052 3293 THR 4 CG2 -0.0115 -0.0231 0.0041 3294 PRO 5 N -0.0150 -0.0073 -0.0128 3295 PRO 5 CA -0.0137 0.0016 -0.0148 3296 PRO 5 C -0.0116 0.0022 -0.0104 3297 PRO 5 O -0.0099 0.0076 -0.0095 3298 PRO 5 CB -0.0183 -0.0068 -0.0208 3299 PRO 5 CG -0.0199 -0.0110 -0.0221 3300 PRO 5 CD -0.0189 -0.0129 -0.0186 3301 GLU 6 N -0.0107 -0.0034 -0.0051 3302 GLU 6 CA -0.0091 -0.0033 -0.0015 3303 GLU 6 C -0.0037 0.0030 0.0073 3304 GLU 6 O -0.0025 0.0065 0.0081 3305 GLU 6 CB -0.0079 -0.0101 0.0051 3306 GLU 6 CG -0.0091 -0.0147 0.0048 3307 GLU 6 CD -0.0141 -0.0212 -0.0029 3308 GLU 6 OE1 -0.0153 -0.0204 -0.0063 3309 GLU 6 OE2 -0.0138 -0.0208 -0.0026 3310 GLU 7 N -0.0021 0.0055 0.0043 3311 GLU 7 CA -0.0001 0.0058 0.0054 3312 GLU 7 C -0.0008 0.0083 0.0043 3313 GLU 7 O 0.0010 0.0097 0.0050 3314 GLU 7 CB -0.0004 0.0034 0.0059 3315 GLU 7 CG 0.0007 0.0009 0.0073 3316 GLU 7 CD -0.0001 -0.0012 0.0074 3317 GLU 7 OE1 0.0021 -0.0023 0.0090 3318 GLU 7 OE2 -0.0013 -0.0020 0.0069 3319 LYS 8 N -0.0028 0.0081 0.0031 3320 LYS 8 CA -0.0032 0.0105 0.0022 3321 LYS 8 C -0.0029 0.0129 0.0017 3322 LYS 8 O -0.0015 0.0148 0.0020 3323 LYS 8 CB -0.0064 0.0093 0.0006 3324 LYS 8 CG -0.0060 0.0116 0.0002 3325 LYS 8 CD -0.0079 0.0111 -0.0007 3326 LYS 8 CE -0.0082 0.0144 -0.0019 3327 LYS 8 NZ -0.0109 0.0136 -0.0033 3328 SER 9 N -0.0032 0.0132 0.0015 3329 SER 9 CA -0.0023 0.0156 0.0014 3330 SER 9 C 0.0002 0.0162 0.0027 3331 SER 9 O 0.0008 0.0186 0.0023 3332 SER 9 CB -0.0039 0.0158 0.0003 3333 SER 9 OG -0.0035 0.0162 0.0004 3334 ALA 10 N 0.0065 0.0125 0.0027 3335 ALA 10 CA 0.0076 0.0126 0.0010 3336 ALA 10 C 0.0077 0.0103 0.0007 3337 ALA 10 O 0.0083 0.0102 -0.0002 3338 ALA 10 CB 0.0081 0.0122 0.0002 3339 VAL 11 N 0.0072 0.0089 0.0014 3340 VAL 11 CA 0.0073 0.0068 0.0011 3341 VAL 11 C 0.0069 0.0065 0.0017 3342 VAL 11 O 0.0074 0.0058 0.0008 3343 VAL 11 CB 0.0066 0.0056 0.0021 3344 VAL 11 CG1 0.0066 0.0040 0.0020 3345 VAL 11 CG2 0.0074 0.0055 0.0009 3346 THR 12 N 0.0059 0.0073 0.0032 3347 THR 12 CA 0.0054 0.0069 0.0041 3348 THR 12 C 0.0059 0.0080 0.0034 3349 THR 12 O 0.0061 0.0073 0.0029 3350 THR 12 CB 0.0041 0.0082 0.0062 3351 THR 12 OG1 0.0037 0.0064 0.0067 3352 THR 12 CG2 0.0039 0.0083 0.0065 3353 ALA 13 N 0.0084 0.0043 0.0043 3354 ALA 13 CA 0.0090 0.0054 0.0041 3355 ALA 13 C 0.0094 0.0047 0.0028 3356 ALA 13 O 0.0093 0.0044 0.0028 3357 ALA 13 CB 0.0095 0.0067 0.0040 3358 LEU 14 N 0.0100 0.0040 0.0014 3359 LEU 14 CA 0.0104 0.0033 0.0003 3360 LEU 14 C 0.0097 0.0016 0.0004 3361 LEU 14 O 0.0099 0.0013 -0.0002 3362 LEU 14 CB 0.0113 0.0032 -0.0013 3363 LEU 14 CG 0.0119 0.0025 -0.0028 3364 LEU 14 CD1 0.0128 0.0043 -0.0031 3365 LEU 14 CD2 0.0124 0.0020 -0.0039 3366 TRP 15 N 0.0089 0.0008 0.0012 3367 TRP 15 CA 0.0083 -0.0010 0.0011 3368 TRP 15 C 0.0076 -0.0008 0.0023 3369 TRP 15 O 0.0074 -0.0018 0.0020 3370 TRP 15 CB 0.0076 -0.0018 0.0018 3371 TRP 15 CG 0.0070 -0.0035 0.0015 3372 TRP 15 CD1 0.0061 -0.0045 0.0025 3373 TRP 15 CD2 0.0075 -0.0046 -0.0001 3374 TRP 15 NE1 0.0058 -0.0061 0.0019 3375 TRP 15 CE2 0.0067 -0.0064 0.0002 3376 TRP 15 CE3 0.0084 -0.0044 -0.0014 3377 TRP 15 CZ2 0.0069 -0.0077 -0.0010 3378 TRP 15 CZ3 0.0086 -0.0058 -0.0026 3379 TRP 15 CH2 0.0077 -0.0075 -0.0022 3380 GLY 16 N 0.0089 -0.0049 0.0058 3381 GLY 16 CA 0.0085 -0.0052 0.0065 3382 GLY 16 C 0.0085 -0.0053 0.0061 3383 GLY 16 O 0.0081 -0.0057 0.0066 3384 LYS 17 N 0.0089 -0.0051 0.0053 3385 LYS 17 CA 0.0090 -0.0050 0.0048 3386 LYS 17 C 0.0087 -0.0057 0.0041 3387 LYS 17 O 0.0086 -0.0062 0.0033 3388 LYS 17 CB 0.0097 -0.0042 0.0042 3389 LYS 17 CG 0.0100 -0.0035 0.0049 3390 LYS 17 CD 0.0105 -0.0030 0.0043 3391 LYS 17 CE 0.0111 -0.0021 0.0042 3392 LYS 17 NZ 0.0113 -0.0019 0.0037 3393 VAL 18 N 0.0084 -0.0063 0.0037 3394 VAL 18 CA 0.0081 -0.0071 0.0028 3395 VAL 18 C 0.0074 -0.0079 0.0033 3396 VAL 18 O 0.0073 -0.0079 0.0040 3397 VAL 18 CB 0.0081 -0.0072 0.0025 3398 VAL 18 CG1 0.0078 -0.0078 0.0019 3399 VAL 18 CG2 0.0088 -0.0063 0.0019 3400 ASN 19 N 0.0086 -0.0103 0.0070 3401 ASN 19 CA 0.0077 -0.0082 0.0070 3402 ASN 19 C 0.0072 -0.0078 0.0058 3403 ASN 19 O 0.0076 -0.0078 0.0073 3404 ASN 19 CB 0.0078 -0.0070 0.0092 3405 ASN 19 CG 0.0065 -0.0046 0.0086 3406 ASN 19 OD1 0.0059 -0.0034 0.0083 3407 ASN 19 ND2 0.0066 -0.0031 0.0111 3408 VAL 20 N 0.0065 -0.0073 0.0041 3409 VAL 20 CA 0.0061 -0.0070 0.0031 3410 VAL 20 C 0.0059 -0.0061 0.0041 3411 VAL 20 O 0.0059 -0.0058 0.0045 3412 VAL 20 CB 0.0053 -0.0075 -0.0004 3413 VAL 20 CG1 0.0060 -0.0089 -0.0004 3414 VAL 20 CG2 0.0049 -0.0061 0.0000 3415 ASP 21 N 0.0052 -0.0040 0.0047 3416 ASP 21 CA 0.0051 -0.0026 0.0067 3417 ASP 21 C 0.0056 -0.0027 0.0082 3418 ASP 21 O 0.0057 -0.0027 0.0085 3419 ASP 21 CB 0.0043 -0.0006 0.0071 3420 ASP 21 CG 0.0033 0.0004 0.0047 3421 ASP 21 OD1 0.0027 0.0002 0.0022 3422 ASP 21 OD2 0.0026 0.0022 0.0051 3423 GLU 22 N 0.0079 -0.0057 0.0071 3424 GLU 22 CA 0.0075 -0.0060 0.0082 3425 GLU 22 C 0.0078 -0.0061 0.0076 3426 GLU 22 O 0.0074 -0.0060 0.0083 3427 GLU 22 CB 0.0077 -0.0071 0.0090 3428 GLU 22 CG 0.0079 -0.0076 0.0092 3429 GLU 22 CD 0.0077 -0.0090 0.0112 3430 GLU 22 OE1 0.0085 -0.0102 0.0110 3431 GLU 22 OE2 0.0071 -0.0083 0.0116 3432 VAL 23 N 0.0086 -0.0070 0.0071 3433 VAL 23 CA 0.0090 -0.0073 0.0067 3434 VAL 23 C 0.0087 -0.0061 0.0059 3435 VAL 23 O 0.0085 -0.0059 0.0060 3436 VAL 23 CB 0.0100 -0.0083 0.0058 3437 VAL 23 CG1 0.0103 -0.0082 0.0053 3438 VAL 23 CG2 0.0101 -0.0093 0.0069 3439 GLY 24 N 0.0087 -0.0053 0.0051 3440 GLY 24 CA 0.0085 -0.0043 0.0043 3441 GLY 24 C 0.0076 -0.0035 0.0051 3442 GLY 24 O 0.0073 -0.0030 0.0051 3443 GLY 25 N 0.0059 -0.0026 0.0048 3444 GLY 25 CA 0.0038 -0.0028 0.0041 3445 GLY 25 C 0.0033 -0.0020 0.0034 3446 GLY 25 O 0.0022 -0.0010 0.0024 3447 GLU 26 N 0.0040 -0.0022 0.0038 3448 GLU 26 CA 0.0034 -0.0014 0.0031 3449 GLU 26 C 0.0039 0.0007 0.0020 3450 GLU 26 O 0.0028 0.0014 0.0011 3451 GLU 26 CB 0.0040 -0.0020 0.0037 3452 GLU 26 CG 0.0016 -0.0034 0.0036 3453 GLU 26 CD 0.0030 -0.0014 0.0029 3454 GLU 26 OE1 0.0010 -0.0018 0.0024 3455 GLU 26 OE2 0.0037 -0.0027 0.0040 3456 ALA 27 N 0.0055 0.0011 0.0024 3457 ALA 27 CA 0.0063 0.0029 0.0016 3458 ALA 27 C 0.0053 0.0038 0.0007 3459 ALA 27 O 0.0046 0.0050 -0.0003 3460 ALA 27 CB 0.0083 0.0033 0.0022 3461 LEU 28 N 0.0055 0.0034 0.0013 3462 LEU 28 CA 0.0056 0.0039 0.0015 3463 LEU 28 C 0.0042 0.0039 0.0007 3464 LEU 28 O 0.0037 0.0049 0.0007 3465 LEU 28 CB 0.0069 0.0029 0.0019 3466 LEU 28 CG 0.0072 0.0037 0.0022 3467 LEU 28 CD1 0.0075 0.0054 0.0029 3468 LEU 28 CD2 0.0083 0.0025 0.0025 3469 GLY 29 N 0.0034 0.0024 -0.0001 3470 GLY 29 CA 0.0020 0.0023 -0.0009 3471 GLY 29 C 0.0008 0.0038 -0.0011 3472 GLY 29 O -0.0001 0.0043 -0.0014 3473 ARG 30 N 0.0007 0.0040 -0.0011 3474 ARG 30 CA -0.0004 0.0054 -0.0013 3475 ARG 30 C -0.0001 0.0071 -0.0007 3476 ARG 30 O -0.0012 0.0080 -0.0010 3477 ARG 30 CB -0.0006 0.0053 -0.0014 3478 ARG 30 CG -0.0015 0.0040 -0.0022 3479 ARG 30 CD -0.0016 0.0040 -0.0023 3480 ARG 30 NE -0.0022 0.0029 -0.0029 3481 ARG 30 CZ -0.0035 0.0028 -0.0037 3482 ARG 30 NH1 -0.0042 0.0016 -0.0043 3483 ARG 30 NH2 -0.0046 0.0043 -0.0038 3484 LEU 31 N 0.0012 0.0110 -0.0023 3485 LEU 31 CA 0.0013 0.0112 -0.0016 3486 LEU 31 C 0.0015 0.0111 -0.0015 3487 LEU 31 O 0.0013 0.0114 -0.0012 3488 LEU 31 CB 0.0018 0.0112 -0.0010 3489 LEU 31 CG 0.0019 0.0114 -0.0003 3490 LEU 31 CD1 0.0013 0.0120 0.0001 3491 LEU 31 CD2 0.0025 0.0112 0.0001 3492 LEU 32 N 0.0021 0.0106 -0.0018 3493 LEU 32 CA 0.0024 0.0105 -0.0018 3494 LEU 32 C 0.0020 0.0105 -0.0022 3495 LEU 32 O 0.0021 0.0106 -0.0020 3496 LEU 32 CB 0.0031 0.0100 -0.0020 3497 LEU 32 CG 0.0036 0.0099 -0.0015 3498 LEU 32 CD1 0.0043 0.0094 -0.0019 3499 LEU 32 CD2 0.0038 0.0101 -0.0008 3500 VAL 33 N 0.0015 0.0106 -0.0028 3501 VAL 33 CA 0.0010 0.0107 -0.0033 3502 VAL 33 C 0.0005 0.0112 -0.0028 3503 VAL 33 O 0.0003 0.0113 -0.0028 3504 VAL 33 CB 0.0008 0.0105 -0.0040 3505 VAL 33 CG1 0.0003 0.0106 -0.0044 3506 VAL 33 CG2 0.0014 0.0099 -0.0044 3507 VAL 34 N 0.0004 0.0038 -0.0017 3508 VAL 34 CA -0.0009 0.0036 -0.0008 3509 VAL 34 C -0.0007 0.0042 0.0006 3510 VAL 34 O -0.0015 0.0041 0.0015 3511 VAL 34 CB -0.0019 0.0028 -0.0017 3512 VAL 34 CG1 -0.0031 0.0026 -0.0008 3513 VAL 34 CG2 -0.0022 0.0023 -0.0028 3514 TYR 35 N 0.0004 0.0046 0.0004 3515 TYR 35 CA 0.0007 0.0051 0.0016 3516 TYR 35 C 0.0022 0.0058 0.0017 3517 TYR 35 O 0.0031 0.0061 0.0014 3518 TYR 35 CB 0.0007 0.0050 0.0012 3519 TYR 35 CG -0.0006 0.0043 0.0008 3520 TYR 35 CD1 -0.0017 0.0041 0.0018 3521 TYR 35 CD2 -0.0008 0.0038 -0.0004 3522 TYR 35 CE1 -0.0031 0.0035 0.0017 3523 TYR 35 CE2 -0.0021 0.0031 -0.0006 3524 TYR 35 CZ -0.0032 0.0030 0.0004 3525 TYR 35 OH -0.0045 0.0022 -0.0001 3526 PRO 36 N 0.0024 0.0061 0.0024 3527 PRO 36 CA 0.0039 0.0068 0.0023 3528 PRO 36 C 0.0048 0.0075 0.0031 3529 PRO 36 O 0.0061 0.0079 0.0028 3530 PRO 36 CB 0.0036 0.0068 0.0028 3531 PRO 36 CG 0.0021 0.0065 0.0035 3532 PRO 36 CD 0.0015 0.0060 0.0029 3533 TRP 37 N 0.0060 0.0060 0.0074 3534 TRP 37 CA 0.0059 0.0053 0.0079 3535 TRP 37 C 0.0048 0.0057 0.0072 3536 TRP 37 O 0.0050 0.0056 0.0074 3537 TRP 37 CB 0.0051 0.0038 0.0089 3538 TRP 37 CG 0.0035 0.0034 0.0086 3539 TRP 37 CD1 0.0020 0.0031 0.0083 3540 TRP 37 CD2 0.0033 0.0032 0.0088 3541 TRP 37 NE1 0.0008 0.0027 0.0082 3542 TRP 37 CE2 0.0017 0.0030 0.0083 3543 TRP 37 CE3 0.0044 0.0035 0.0089 3544 TRP 37 CZ2 0.0009 0.0026 0.0084 3545 TRP 37 CZ3 0.0038 0.0034 0.0088 3546 TRP 37 CH2 0.0021 0.0028 0.0086 3547 THR 38 N 0.0038 0.0065 0.0061 3548 THR 38 CA 0.0028 0.0072 0.0052 3549 THR 38 C 0.0040 0.0082 0.0048 3550 THR 38 O 0.0033 0.0087 0.0041 3551 THR 38 CB 0.0016 0.0079 0.0042 3552 THR 38 OG1 0.0024 0.0089 0.0037 3553 THR 38 CG2 0.0004 0.0068 0.0047 3554 GLN 39 N 0.0056 0.0088 0.0049 3555 GLN 39 CA 0.0066 0.0098 0.0045 3556 GLN 39 C 0.0071 0.0092 0.0051 3557 GLN 39 O 0.0076 0.0099 0.0047 3558 GLN 39 CB 0.0083 0.0100 0.0049 3559 GLN 39 CG 0.0080 0.0107 0.0041 3560 GLN 39 CD 0.0095 0.0111 0.0044 3561 GLN 39 OE1 0.0111 0.0110 0.0051 3562 GLN 39 NE2 0.0095 0.0114 0.0041 3563 ARG 40 N 0.0069 0.0038 0.0104 3564 ARG 40 CA 0.0063 0.0029 0.0100 3565 ARG 40 C 0.0053 0.0032 0.0105 3566 ARG 40 O 0.0044 0.0026 0.0103 3567 ARG 40 CB 0.0064 0.0024 0.0096 3568 ARG 40 CG 0.0061 0.0024 0.0097 3569 ARG 40 CD 0.0066 0.0016 0.0090 3570 ARG 40 NE 0.0063 0.0008 0.0085 3571 ARG 40 CZ 0.0052 0.0003 0.0085 3572 ARG 40 NH1 0.0047 0.0006 0.0089 3573 ARG 40 NH2 0.0054 -0.0006 0.0079 3574 PHE 41 N 0.0049 0.0039 0.0110 3575 PHE 41 CA 0.0038 0.0040 0.0115 3576 PHE 41 C 0.0034 0.0047 0.0120 3577 PHE 41 O 0.0026 0.0048 0.0123 3578 PHE 41 CB 0.0035 0.0045 0.0118 3579 PHE 41 CG 0.0039 0.0038 0.0113 3580 PHE 41 CD1 0.0050 0.0041 0.0112 3581 PHE 41 CD2 0.0033 0.0031 0.0110 3582 PHE 41 CE1 0.0049 0.0034 0.0107 3583 PHE 41 CE2 0.0035 0.0024 0.0104 3584 PHE 41 CZ 0.0045 0.0028 0.0104 3585 PHE 42 N 0.0042 0.0050 0.0120 3586 PHE 42 CA 0.0039 0.0057 0.0126 3587 PHE 42 C 0.0040 0.0056 0.0125 3588 PHE 42 O 0.0044 0.0061 0.0127 3589 PHE 42 CB 0.0046 0.0066 0.0130 3590 PHE 42 CG 0.0042 0.0069 0.0132 3591 PHE 42 CD1 0.0052 0.0067 0.0129 3592 PHE 42 CD2 0.0033 0.0072 0.0138 3593 PHE 42 CE1 0.0048 0.0070 0.0132 3594 PHE 42 CE2 0.0031 0.0074 0.0139 3595 PHE 42 CZ 0.0040 0.0073 0.0136 3596 GLU 43 N -0.0010 0.0024 0.0142 3597 GLU 43 CA -0.0009 0.0001 0.0111 3598 GLU 43 C -0.0006 -0.0037 0.0110 3599 GLU 43 O -0.0005 -0.0048 0.0087 3600 GLU 43 CB -0.0007 -0.0016 0.0114 3601 GLU 43 CG -0.0007 -0.0025 0.0120 3602 GLU 43 CD -0.0009 0.0003 0.0095 3603 GLU 43 OE1 -0.0009 0.0000 0.0057 3604 GLU 43 OE2 -0.0010 0.0011 0.0085 3605 SER 44 N -0.0005 -0.0038 0.0142 3606 SER 44 CA -0.0003 -0.0065 0.0154 3607 SER 44 C -0.0004 -0.0055 0.0142 3608 SER 44 O -0.0003 -0.0069 0.0143 3609 SER 44 CB -0.0002 -0.0070 0.0186 3610 SER 44 OG -0.0004 -0.0051 0.0206 3611 PHE 45 N -0.0007 -0.0024 0.0127 3612 PHE 45 CA -0.0008 -0.0012 0.0120 3613 PHE 45 C -0.0007 -0.0024 0.0082 3614 PHE 45 O -0.0008 -0.0012 0.0084 3615 PHE 45 CB -0.0011 0.0025 0.0123 3616 PHE 45 CG -0.0011 0.0034 0.0157 3617 PHE 45 CD1 -0.0014 0.0066 0.0160 3618 PHE 45 CD2 -0.0010 0.0022 0.0184 3619 PHE 45 CE1 -0.0014 0.0077 0.0197 3620 PHE 45 CE2 -0.0011 0.0033 0.0215 3621 PHE 45 CZ -0.0013 0.0059 0.0224 3622 GLY 46 N -0.0044 -0.0110 0.0061 3623 GLY 46 CA -0.0080 -0.0140 0.0034 3624 GLY 46 C -0.0110 -0.0106 -0.0032 3625 GLY 46 O -0.0094 -0.0056 -0.0046 3626 ASP 47 N -0.0114 -0.0122 -0.0026 3627 ASP 47 CA -0.0160 -0.0087 -0.0113 3628 ASP 47 C -0.0098 -0.0019 -0.0078 3629 ASP 47 O -0.0083 -0.0048 -0.0036 3630 ASP 47 CB -0.0173 -0.0139 -0.0094 3631 ASP 47 CG -0.0202 -0.0106 -0.0158 3632 ASP 47 OD1 -0.0213 -0.0141 -0.0147 3633 ASP 47 OD2 -0.0210 -0.0069 -0.0194 3634 LEU 48 N -0.0104 0.0019 -0.0113 3635 LEU 48 CA -0.0061 0.0087 -0.0103 3636 LEU 48 C -0.0085 0.0124 -0.0163 3637 LEU 48 O -0.0066 0.0183 -0.0179 3638 LEU 48 CB -0.0041 0.0119 -0.0098 3639 LEU 48 CG -0.0009 0.0088 -0.0033 3640 LEU 48 CD1 0.0026 0.0136 -0.0020 3641 LEU 48 CD2 0.0017 0.0072 0.0014 3642 SER 49 N -0.0202 0.0091 -0.0311 3643 SER 49 CA -0.0208 0.0118 -0.0394 3644 SER 49 C -0.0170 0.0133 -0.0383 3645 SER 49 O -0.0124 0.0177 -0.0437 3646 SER 49 CB -0.0289 0.0083 -0.0415 3647 SER 49 OG -0.0308 0.0052 -0.0356 3648 THR 50 N -0.0157 0.0113 -0.0306 3649 THR 50 CA -0.0081 0.0156 -0.0314 3650 THR 50 C -0.0029 0.0151 -0.0224 3651 THR 50 O -0.0042 0.0127 -0.0178 3652 THR 50 CB -0.0137 0.0108 -0.0264 3653 THR 50 OG1 -0.0159 0.0067 -0.0182 3654 THR 50 CG2 -0.0196 0.0100 -0.0328 3655 PRO 51 N 0.0025 0.0175 -0.0212 3656 PRO 51 CA 0.0079 0.0180 -0.0149 3657 PRO 51 C 0.0064 0.0145 -0.0073 3658 PRO 51 O 0.0086 0.0134 -0.0011 3659 PRO 51 CB 0.0134 0.0212 -0.0157 3660 PRO 51 CG 0.0126 0.0237 -0.0238 3661 PRO 51 CD 0.0037 0.0205 -0.0278 3662 ASP 52 N 0.0002 0.0150 -0.0091 3663 ASP 52 CA -0.0009 0.0125 -0.0031 3664 ASP 52 C -0.0038 0.0091 -0.0018 3665 ASP 52 O -0.0037 0.0082 0.0028 3666 ASP 52 CB -0.0025 0.0114 -0.0060 3667 ASP 52 CG -0.0002 0.0144 -0.0082 3668 ASP 52 OD1 0.0026 0.0170 -0.0061 3669 ASP 52 OD2 -0.0002 0.0161 -0.0169 3670 ALA 53 N -0.0060 0.0074 -0.0055 3671 ALA 53 CA -0.0088 0.0042 -0.0048 3672 ALA 53 C -0.0070 0.0053 -0.0007 3673 ALA 53 O -0.0071 0.0046 0.0027 3674 ALA 53 CB -0.0108 0.0027 -0.0084 3675 VAL 54 N -0.0041 0.0092 -0.0037 3676 VAL 54 CA -0.0017 0.0110 0.0000 3677 VAL 54 C 0.0000 0.0119 0.0050 3678 VAL 54 O -0.0003 0.0106 0.0098 3679 VAL 54 CB 0.0009 0.0147 -0.0039 3680 VAL 54 CG1 0.0034 0.0165 0.0004 3681 VAL 54 CG2 -0.0004 0.0142 -0.0083 3682 MET 55 N 0.0010 0.0093 0.0062 3683 MET 55 CA 0.0013 0.0104 0.0082 3684 MET 55 C -0.0003 0.0099 0.0103 3685 MET 55 O -0.0003 0.0104 0.0118 3686 MET 55 CB 0.0033 0.0119 0.0081 3687 MET 55 CG 0.0043 0.0123 0.0069 3688 MET 55 SD 0.0049 0.0128 0.0067 3689 MET 55 CE 0.0052 0.0139 0.0091 3690 GLY 56 N -0.0008 0.0089 0.0089 3691 GLY 56 CA -0.0019 0.0087 0.0109 3692 GLY 56 C -0.0037 0.0074 0.0111 3693 GLY 56 O -0.0053 0.0065 0.0120 3694 ASN 57 N -0.0043 0.0064 0.0097 3695 ASN 57 CA -0.0059 0.0050 0.0096 3696 ASN 57 C -0.0064 0.0054 0.0116 3697 ASN 57 O -0.0059 0.0062 0.0126 3698 ASN 57 CB -0.0057 0.0044 0.0078 3699 ASN 57 CG -0.0073 0.0031 0.0077 3700 ASN 57 OD1 -0.0084 0.0028 0.0091 3701 ASN 57 ND2 -0.0075 0.0023 0.0060 3702 PRO 58 N -0.0057 0.0061 0.0160 3703 PRO 58 CA -0.0052 0.0058 0.0174 3704 PRO 58 C -0.0048 0.0063 0.0163 3705 PRO 58 O -0.0035 0.0064 0.0174 3706 PRO 58 CB -0.0070 0.0050 0.0184 3707 PRO 58 CG -0.0077 0.0053 0.0166 3708 PRO 58 CD -0.0079 0.0053 0.0164 3709 LYS 59 N -0.0054 0.0066 0.0149 3710 LYS 59 CA -0.0050 0.0070 0.0140 3711 LYS 59 C -0.0029 0.0079 0.0133 3712 LYS 59 O -0.0021 0.0081 0.0134 3713 LYS 59 CB -0.0062 0.0071 0.0125 3714 LYS 59 CG -0.0079 0.0064 0.0130 3715 LYS 59 CD -0.0089 0.0065 0.0120 3716 LYS 59 CE -0.0104 0.0062 0.0114 3717 LYS 59 NZ -0.0122 0.0054 0.0120 3718 VAL 60 N -0.0027 0.0081 0.0130 3719 VAL 60 CA -0.0005 0.0089 0.0127 3720 VAL 60 C 0.0006 0.0087 0.0140 3721 VAL 60 O 0.0021 0.0092 0.0141 3722 VAL 60 CB -0.0006 0.0092 0.0116 3723 VAL 60 CG1 0.0016 0.0098 0.0118 3724 VAL 60 CG2 -0.0017 0.0093 0.0100 3725 LYS 61 N 0.0008 0.0076 0.0157 3726 LYS 61 CA 0.0009 0.0071 0.0152 3727 LYS 61 C 0.0003 0.0075 0.0129 3728 LYS 61 O 0.0006 0.0062 0.0113 3729 LYS 61 CB 0.0009 0.0080 0.0171 3730 LYS 61 CG 0.0017 0.0072 0.0196 3731 LYS 61 CD 0.0014 0.0085 0.0210 3732 LYS 61 CE 0.0023 0.0076 0.0237 3733 LYS 61 NZ 0.0020 0.0088 0.0250 3734 ALA 62 N -0.0007 0.0095 0.0121 3735 ALA 62 CA -0.0015 0.0102 0.0097 3736 ALA 62 C -0.0012 0.0088 0.0075 3737 ALA 62 O -0.0012 0.0081 0.0059 3738 ALA 62 CB -0.0025 0.0126 0.0096 3739 HIS 63 N -0.0010 0.0084 0.0080 3740 HIS 63 CA -0.0008 0.0070 0.0060 3741 HIS 63 C 0.0003 0.0045 0.0060 3742 HIS 63 O 0.0003 0.0036 0.0040 3743 HIS 63 CB -0.0008 0.0071 0.0061 3744 HIS 63 CG -0.0009 0.0064 0.0041 3745 HIS 63 ND1 -0.0016 0.0072 0.0021 3746 HIS 63 CD2 0.0001 0.0042 0.0043 3747 HIS 63 CE1 -0.0010 0.0052 0.0007 3748 HIS 63 NE2 -0.0004 0.0046 0.0023 3749 GLY 64 N 0.0038 0.0015 0.0081 3750 GLY 64 CA 0.0053 -0.0028 0.0081 3751 GLY 64 C 0.0047 -0.0039 0.0052 3752 GLY 64 O 0.0047 -0.0071 0.0022 3753 LYS 65 N 0.0030 0.0009 0.0053 3754 LYS 65 CA 0.0018 0.0008 0.0018 3755 LYS 65 C 0.0000 0.0006 -0.0035 3756 LYS 65 O -0.0001 -0.0019 -0.0062 3757 LYS 65 CB 0.0007 0.0062 0.0038 3758 LYS 65 CG -0.0004 0.0057 0.0001 3759 LYS 65 CD -0.0021 0.0137 0.0030 3760 LYS 65 CE -0.0043 0.0130 -0.0037 3761 LYS 65 NZ -0.0048 0.0175 -0.0009 3762 LYS 66 N -0.0012 0.0027 -0.0049 3763 LYS 66 CA -0.0031 0.0028 -0.0100 3764 LYS 66 C -0.0016 -0.0029 -0.0114 3765 LYS 66 O -0.0025 -0.0047 -0.0158 3766 LYS 66 CB -0.0042 0.0059 -0.0103 3767 LYS 66 CG -0.0056 0.0072 -0.0129 3768 LYS 66 CD -0.0081 0.0144 -0.0131 3769 LYS 66 CE -0.0107 0.0133 -0.0213 3770 LYS 66 NZ -0.0125 0.0162 -0.0236 3771 VAL 67 N -0.0000 -0.0074 -0.0069 3772 VAL 67 CA 0.0006 -0.0094 -0.0081 3773 VAL 67 C 0.0014 -0.0097 -0.0077 3774 VAL 67 O 0.0011 -0.0107 -0.0088 3775 VAL 67 CB 0.0021 -0.0102 -0.0075 3776 VAL 67 CG1 0.0035 -0.0120 -0.0079 3777 VAL 67 CG2 0.0013 -0.0099 -0.0080 3778 LEU 68 N 0.0023 -0.0088 -0.0061 3779 LEU 68 CA 0.0031 -0.0093 -0.0058 3780 LEU 68 C 0.0018 -0.0085 -0.0063 3781 LEU 68 O 0.0018 -0.0091 -0.0068 3782 LEU 68 CB 0.0046 -0.0087 -0.0040 3783 LEU 68 CG 0.0063 -0.0098 -0.0034 3784 LEU 68 CD1 0.0070 -0.0115 -0.0043 3785 LEU 68 CD2 0.0075 -0.0090 -0.0018 3786 GLY 69 N 0.0002 -0.0069 -0.0063 3787 GLY 69 CA -0.0014 -0.0063 -0.0072 3788 GLY 69 C -0.0023 -0.0076 -0.0091 3789 GLY 69 O -0.0025 -0.0079 -0.0096 3790 ALA 70 N -0.0081 -0.0137 -0.0074 3791 ALA 70 CA -0.0081 -0.0138 -0.0077 3792 ALA 70 C -0.0065 -0.0127 -0.0080 3793 ALA 70 O -0.0059 -0.0121 -0.0076 3794 ALA 70 CB -0.0089 -0.0149 -0.0093 3795 PHE 71 N -0.0054 -0.0122 -0.0090 3796 PHE 71 CA -0.0035 -0.0110 -0.0094 3797 PHE 71 C -0.0030 -0.0099 -0.0074 3798 PHE 71 O -0.0023 -0.0094 -0.0072 3799 PHE 71 CB -0.0027 -0.0108 -0.0107 3800 PHE 71 CG -0.0009 -0.0096 -0.0110 3801 PHE 71 CD1 -0.0003 -0.0098 -0.0129 3802 PHE 71 CD2 -0.0002 -0.0086 -0.0095 3803 PHE 71 CE1 0.0013 -0.0087 -0.0130 3804 PHE 71 CE2 0.0015 -0.0076 -0.0102 3805 PHE 71 CZ 0.0022 -0.0077 -0.0119 3806 SER 72 N -0.0037 -0.0100 -0.0062 3807 SER 72 CA -0.0035 -0.0093 -0.0043 3808 SER 72 C -0.0035 -0.0090 -0.0035 3809 SER 72 O -0.0027 -0.0081 -0.0025 3810 SER 72 CB -0.0036 -0.0087 -0.0026 3811 SER 72 OG -0.0035 -0.0090 -0.0038 3812 ASP 73 N -0.0080 -0.0111 -0.0007 3813 ASP 73 CA -0.0091 -0.0116 0.0006 3814 ASP 73 C -0.0088 -0.0110 0.0009 3815 ASP 73 O -0.0087 -0.0097 0.0023 3816 ASP 73 CB -0.0116 -0.0144 0.0015 3817 ASP 73 CG -0.0117 -0.0138 0.0025 3818 ASP 73 OD1 -0.0119 -0.0139 0.0028 3819 ASP 73 OD2 -0.0137 -0.0176 0.0012 3820 GLY 74 N -0.0072 -0.0108 -0.0018 3821 GLY 74 CA -0.0064 -0.0100 -0.0022 3822 GLY 74 C -0.0047 -0.0073 -0.0018 3823 GLY 74 O -0.0042 -0.0062 -0.0013 3824 LEU 75 N -0.0039 -0.0062 -0.0017 3825 LEU 75 CA -0.0027 -0.0037 -0.0006 3826 LEU 75 C -0.0034 -0.0027 0.0020 3827 LEU 75 O -0.0023 -0.0006 0.0026 3828 LEU 75 CB -0.0015 -0.0027 -0.0016 3829 LEU 75 CG 0.0001 -0.0024 -0.0040 3830 LEU 75 CD1 0.0006 -0.0028 -0.0055 3831 LEU 75 CD2 0.0005 -0.0028 -0.0054 3832 ALA 76 N -0.0053 -0.0051 0.0045 3833 ALA 76 CA -0.0045 -0.0056 0.0091 3834 ALA 76 C -0.0042 -0.0047 0.0091 3835 ALA 76 O -0.0032 -0.0033 0.0123 3836 ALA 76 CB -0.0054 -0.0085 0.0084 3837 HIS 77 N -0.0041 -0.0032 0.0077 3838 HIS 77 CA -0.0035 -0.0022 0.0092 3839 HIS 77 C -0.0035 -0.0001 0.0069 3840 HIS 77 O -0.0035 0.0004 0.0063 3841 HIS 77 CB -0.0041 -0.0047 0.0098 3842 HIS 77 CG -0.0044 -0.0074 0.0119 3843 HIS 77 ND1 -0.0053 -0.0097 0.0101 3844 HIS 77 CD2 -0.0037 -0.0075 0.0152 3845 HIS 77 CE1 -0.0053 -0.0124 0.0135 3846 HIS 77 NE2 -0.0046 -0.0106 0.0151 3847 LEU 78 N -0.0029 0.0027 0.0060 3848 LEU 78 CA -0.0025 0.0052 0.0047 3849 LEU 78 C -0.0020 0.0072 0.0045 3850 LEU 78 O -0.0019 0.0087 0.0033 3851 LEU 78 CB -0.0025 0.0070 0.0024 3852 LEU 78 CG -0.0034 0.0063 -0.0011 3853 LEU 78 CD1 -0.0029 0.0077 -0.0007 3854 LEU 78 CD2 -0.0040 0.0055 -0.0029 3855 ASP 79 N -0.0031 0.0075 0.0061 3856 ASP 79 CA -0.0026 0.0098 0.0068 3857 ASP 79 C -0.0019 0.0087 0.0084 3858 ASP 79 O -0.0017 0.0101 0.0088 3859 ASP 79 CB -0.0013 0.0092 0.0097 3860 ASP 79 CG -0.0014 0.0092 0.0095 3861 ASP 79 OD1 0.0001 0.0106 0.0125 3862 ASP 79 OD2 -0.0016 0.0131 0.0085 3863 ASN 80 N -0.0026 0.0062 0.0073 3864 ASN 80 CA -0.0026 0.0055 0.0075 3865 ASN 80 C -0.0036 0.0028 0.0057 3866 ASN 80 O -0.0034 0.0013 0.0063 3867 ASN 80 CB -0.0018 0.0044 0.0094 3868 ASN 80 CG -0.0010 0.0031 0.0113 3869 ASN 80 OD1 -0.0008 0.0033 0.0118 3870 ASN 80 ND2 -0.0012 0.0019 0.0112 3871 LEU 81 N -0.0044 0.0046 0.0036 3872 LEU 81 CA -0.0055 0.0028 0.0016 3873 LEU 81 C -0.0054 0.0019 0.0018 3874 LEU 81 O -0.0058 -0.0004 0.0013 3875 LEU 81 CB -0.0063 0.0045 -0.0005 3876 LEU 81 CG -0.0067 0.0045 -0.0015 3877 LEU 81 CD1 -0.0074 0.0062 -0.0031 3878 LEU 81 CD2 -0.0070 0.0022 -0.0016 3879 LYS 82 N -0.0065 0.0047 0.0026 3880 LYS 82 CA -0.0059 0.0050 0.0031 3881 LYS 82 C -0.0044 0.0033 0.0040 3882 LYS 82 O -0.0042 0.0023 0.0040 3883 LYS 82 CB -0.0054 0.0078 0.0040 3884 LYS 82 CG -0.0069 0.0093 0.0031 3885 LYS 82 CD -0.0064 0.0125 0.0041 3886 LYS 82 CE -0.0097 0.0131 0.0016 3887 LYS 82 NZ -0.0077 0.0148 0.0036 3888 GLY 83 N -0.0025 0.0023 0.0053 3889 GLY 83 CA -0.0009 0.0011 0.0064 3890 GLY 83 C -0.0013 -0.0013 0.0056 3891 GLY 83 O -0.0012 -0.0028 0.0054 3892 THR 84 N -0.0029 -0.0023 0.0041 3893 THR 84 CA -0.0034 -0.0046 0.0033 3894 THR 84 C -0.0043 -0.0049 0.0025 3895 THR 84 O -0.0045 -0.0070 0.0020 3896 THR 84 CB -0.0047 -0.0053 0.0021 3897 THR 84 OG1 -0.0037 -0.0050 0.0030 3898 THR 84 CG2 -0.0056 -0.0077 0.0010 3899 PHE 85 N -0.0026 -0.0033 -0.0025 3900 PHE 85 CA -0.0033 -0.0032 -0.0026 3901 PHE 85 C -0.0022 -0.0020 -0.0015 3902 PHE 85 O -0.0026 -0.0014 -0.0012 3903 PHE 85 CB -0.0052 -0.0026 -0.0027 3904 PHE 85 CG -0.0060 -0.0040 -0.0039 3905 PHE 85 CD1 -0.0070 -0.0042 -0.0043 3906 PHE 85 CD2 -0.0061 -0.0050 -0.0046 3907 PHE 85 CE1 -0.0079 -0.0055 -0.0054 3908 PHE 85 CE2 -0.0069 -0.0064 -0.0058 3909 PHE 85 CZ -0.0078 -0.0068 -0.0063 3910 ALA 86 N -0.0010 -0.0013 -0.0007 3911 ALA 86 CA -0.0004 0.0002 0.0005 3912 ALA 86 C 0.0006 -0.0004 0.0004 3913 ALA 86 O 0.0003 0.0005 0.0010 3914 ALA 86 CB 0.0015 0.0005 0.0012 3915 THR 87 N 0.0015 -0.0017 -0.0003 3916 THR 87 CA 0.0023 -0.0020 -0.0004 3917 THR 87 C 0.0009 -0.0021 -0.0008 3918 THR 87 O 0.0011 -0.0015 -0.0003 3919 THR 87 CB 0.0036 -0.0036 -0.0012 3920 THR 87 OG1 0.0049 -0.0034 -0.0007 3921 THR 87 CG2 0.0046 -0.0038 -0.0011 3922 LEU 88 N 0.0006 -0.0014 -0.0035 3923 LEU 88 CA -0.0002 -0.0015 -0.0041 3924 LEU 88 C -0.0011 -0.0004 -0.0034 3925 LEU 88 O -0.0014 -0.0003 -0.0034 3926 LEU 88 CB -0.0012 -0.0020 -0.0052 3927 LEU 88 CG -0.0004 -0.0032 -0.0061 3928 LEU 88 CD1 -0.0014 -0.0035 -0.0069 3929 LEU 88 CD2 0.0001 -0.0036 -0.0062 3930 SER 89 N -0.0015 0.0004 -0.0028 3931 SER 89 CA -0.0022 0.0014 -0.0020 3932 SER 89 C -0.0015 0.0017 -0.0012 3933 SER 89 O -0.0018 0.0021 -0.0010 3934 SER 89 CB -0.0025 0.0022 -0.0013 3935 SER 89 OG -0.0033 0.0031 -0.0006 3936 GLU 90 N -0.0002 0.0017 -0.0006 3937 GLU 90 CA 0.0008 0.0018 -0.0000 3938 GLU 90 C 0.0011 0.0012 -0.0005 3939 GLU 90 O 0.0011 0.0015 -0.0001 3940 GLU 90 CB 0.0020 0.0017 0.0005 3941 GLU 90 CG 0.0027 0.0022 0.0015 3942 GLU 90 CD 0.0043 0.0022 0.0023 3943 GLU 90 OE1 0.0051 0.0014 0.0018 3944 GLU 90 OE2 0.0039 0.0017 0.0015 3945 LEU 91 N 0.0011 0.0021 -0.0010 3946 LEU 91 CA 0.0017 0.0022 -0.0011 3947 LEU 91 C 0.0019 0.0021 -0.0009 3948 LEU 91 O 0.0025 0.0021 -0.0007 3949 LEU 91 CB 0.0018 0.0025 -0.0019 3950 LEU 91 CG 0.0024 0.0026 -0.0023 3951 LEU 91 CD1 0.0032 0.0026 -0.0020 3952 LEU 91 CD2 0.0024 0.0029 -0.0030 3953 HIS 92 N 0.0013 0.0021 -0.0010 3954 HIS 92 CA 0.0016 0.0021 -0.0009 3955 HIS 92 C 0.0014 0.0018 -0.0001 3956 HIS 92 O 0.0019 0.0017 0.0001 3957 HIS 92 CB 0.0009 0.0021 -0.0011 3958 HIS 92 CG 0.0010 0.0024 -0.0019 3959 HIS 92 ND1 0.0008 0.0026 -0.0024 3960 HIS 92 CD2 0.0012 0.0026 -0.0023 3961 HIS 92 CE1 0.0010 0.0028 -0.0030 3962 HIS 92 NE2 0.0013 0.0028 -0.0030 3963 CYS 93 N 0.0011 0.0017 0.0003 3964 CYS 93 CA 0.0013 0.0014 0.0011 3965 CYS 93 C 0.0020 0.0013 0.0013 3966 CYS 93 O 0.0023 0.0012 0.0016 3967 CYS 93 CB 0.0006 0.0013 0.0012 3968 CYS 93 SG 0.0007 0.0009 0.0022 3969 ASP 94 N 0.0012 0.0028 0.0011 3970 ASP 94 CA 0.0016 0.0034 0.0012 3971 ASP 94 C 0.0021 0.0041 0.0013 3972 ASP 94 O 0.0024 0.0044 0.0017 3973 ASP 94 CB 0.0014 0.0034 0.0004 3974 ASP 94 CG 0.0009 0.0028 0.0002 3975 ASP 94 OD1 0.0009 0.0024 0.0008 3976 ASP 94 OD2 0.0007 0.0029 -0.0007 3977 LYS 95 N 0.0021 0.0043 0.0010 3978 LYS 95 CA 0.0026 0.0051 0.0011 3979 LYS 95 C 0.0028 0.0050 0.0018 3980 LYS 95 O 0.0032 0.0053 0.0023 3981 LYS 95 CB 0.0026 0.0055 0.0004 3982 LYS 95 CG 0.0024 0.0055 -0.0004 3983 LYS 95 CD 0.0029 0.0061 0.0000 3984 LYS 95 CE 0.0030 0.0063 -0.0003 3985 LYS 95 NZ 0.0036 0.0069 0.0005 3986 LEU 96 N 0.0024 0.0044 0.0018 3987 LEU 96 CA 0.0026 0.0044 0.0024 3988 LEU 96 C 0.0026 0.0039 0.0032 3989 LEU 96 O 0.0028 0.0040 0.0038 3990 LEU 96 CB 0.0023 0.0042 0.0019 3991 LEU 96 CG 0.0023 0.0046 0.0011 3992 LEU 96 CD1 0.0020 0.0043 0.0007 3993 LEU 96 CD2 0.0028 0.0053 0.0012 3994 HIS 97 N 0.0008 0.0030 0.0022 3995 HIS 97 CA 0.0018 0.0020 0.0016 3996 HIS 97 C 0.0033 0.0022 0.0021 3997 HIS 97 O 0.0043 0.0019 0.0021 3998 HIS 97 CB 0.0018 0.0015 0.0013 3999 HIS 97 CG 0.0003 0.0013 0.0008 4000 HIS 97 ND1 -0.0004 0.0007 0.0002 4001 HIS 97 CD2 -0.0003 0.0019 0.0011 4002 HIS 97 CE1 -0.0017 0.0006 -0.0002 4003 HIS 97 NE2 -0.0015 0.0013 0.0004 4004 VAL 98 N 0.0034 0.0029 0.0027 4005 VAL 98 CA 0.0047 0.0032 0.0032 4006 VAL 98 C 0.0055 0.0023 0.0027 4007 VAL 98 O 0.0050 0.0022 0.0025 4008 VAL 98 CB 0.0046 0.0042 0.0040 4009 VAL 98 CG1 0.0059 0.0045 0.0045 4010 VAL 98 CG2 0.0040 0.0051 0.0045 4011 ASP 99 N 0.0067 0.0018 0.0025 4012 ASP 99 CA 0.0075 0.0010 0.0021 4013 ASP 99 C 0.0077 0.0017 0.0027 4014 ASP 99 O 0.0083 0.0026 0.0035 4015 ASP 99 CB 0.0087 0.0007 0.0021 4016 ASP 99 CG 0.0099 -0.0002 0.0017 4017 ASP 99 OD1 0.0107 -0.0006 0.0016 4018 ASP 99 OD2 0.0095 -0.0004 0.0015 4019 PRO 100 N 0.0061 0.0033 0.0011 4020 PRO 100 CA 0.0050 0.0026 0.0001 4021 PRO 100 C 0.0051 0.0019 0.0009 4022 PRO 100 O 0.0045 0.0019 -0.0001 4023 PRO 100 CB 0.0038 0.0020 -0.0011 4024 PRO 100 CG 0.0040 0.0014 -0.0003 4025 PRO 100 CD 0.0055 0.0024 0.0010 4026 GLU 101 N 0.0058 0.0013 0.0026 4027 GLU 101 CA 0.0059 0.0007 0.0033 4028 GLU 101 C 0.0065 0.0019 0.0030 4029 GLU 101 O 0.0061 0.0016 0.0028 4030 GLU 101 CB 0.0066 -0.0000 0.0051 4031 GLU 101 CG 0.0067 -0.0006 0.0060 4032 GLU 101 CD 0.0051 -0.0026 0.0054 4033 GLU 101 OE1 0.0046 -0.0031 0.0052 4034 GLU 101 OE2 0.0059 -0.0022 0.0062 4035 ASN 102 N 0.0072 0.0035 0.0026 4036 ASN 102 CA 0.0079 0.0050 0.0022 4037 ASN 102 C 0.0069 0.0050 0.0005 4038 ASN 102 O 0.0070 0.0055 0.0004 4039 ASN 102 CB 0.0086 0.0064 0.0018 4040 ASN 102 CG 0.0098 0.0066 0.0035 4041 ASN 102 OD1 0.0106 0.0068 0.0045 4042 ASN 102 ND2 0.0100 0.0065 0.0038 4043 PHE 103 N 0.0041 0.0051 -0.0027 4044 PHE 103 CA 0.0031 0.0052 -0.0039 4045 PHE 103 C 0.0027 0.0046 -0.0037 4046 PHE 103 O 0.0024 0.0050 -0.0044 4047 PHE 103 CB 0.0022 0.0049 -0.0045 4048 PHE 103 CG 0.0027 0.0054 -0.0045 4049 PHE 103 CD1 0.0036 0.0067 -0.0048 4050 PHE 103 CD2 0.0022 0.0048 -0.0045 4051 PHE 103 CE1 0.0039 0.0072 -0.0050 4052 PHE 103 CE2 0.0026 0.0054 -0.0046 4053 PHE 103 CZ 0.0035 0.0066 -0.0048 4054 ARG 104 N 0.0026 0.0036 -0.0028 4055 ARG 104 CA 0.0021 0.0028 -0.0026 4056 ARG 104 C 0.0030 0.0034 -0.0023 4057 ARG 104 O 0.0026 0.0034 -0.0026 4058 ARG 104 CB 0.0019 0.0015 -0.0016 4059 ARG 104 CG 0.0011 0.0011 -0.0020 4060 ARG 104 CD 0.0008 -0.0002 -0.0010 4061 ARG 104 NE -0.0003 -0.0003 -0.0021 4062 ARG 104 CZ -0.0001 -0.0018 -0.0005 4063 ARG 104 NH1 0.0007 -0.0018 0.0004 4064 ARG 104 NH2 -0.0011 -0.0023 -0.0010 4065 LEU 105 N 0.0040 0.0038 -0.0015 4066 LEU 105 CA 0.0048 0.0043 -0.0012 4067 LEU 105 C 0.0049 0.0053 -0.0022 4068 LEU 105 O 0.0048 0.0055 -0.0024 4069 LEU 105 CB 0.0058 0.0045 -0.0004 4070 LEU 105 CG 0.0062 0.0037 0.0008 4071 LEU 105 CD1 0.0072 0.0040 0.0016 4072 LEU 105 CD2 0.0058 0.0028 0.0013 4073 LEU 106 N 0.0049 0.0039 -0.0043 4074 LEU 106 CA 0.0050 0.0035 -0.0045 4075 LEU 106 C 0.0051 0.0030 -0.0048 4076 LEU 106 O 0.0050 0.0025 -0.0048 4077 LEU 106 CB 0.0055 0.0039 -0.0049 4078 LEU 106 CG 0.0056 0.0036 -0.0051 4079 LEU 106 CD1 0.0053 0.0035 -0.0048 4080 LEU 106 CD2 0.0060 0.0039 -0.0054 4081 GLY 107 N 0.0053 0.0029 -0.0050 4082 GLY 107 CA 0.0054 0.0024 -0.0052 4083 GLY 107 C 0.0049 0.0019 -0.0049 4084 GLY 107 O 0.0049 0.0014 -0.0050 4085 ASN 108 N 0.0046 0.0021 -0.0045 4086 ASN 108 CA 0.0042 0.0018 -0.0042 4087 ASN 108 C 0.0039 0.0016 -0.0040 4088 ASN 108 O 0.0037 0.0010 -0.0040 4089 ASN 108 CB 0.0038 0.0020 -0.0038 4090 ASN 108 CG 0.0040 0.0020 -0.0040 4091 ASN 108 OD1 0.0042 0.0016 -0.0043 4092 ASN 108 ND2 0.0038 0.0023 -0.0036 4093 VAL 109 N 0.0046 0.0028 -0.0037 4094 VAL 109 CA 0.0041 0.0020 -0.0037 4095 VAL 109 C 0.0046 0.0010 -0.0037 4096 VAL 109 O 0.0041 0.0003 -0.0037 4097 VAL 109 CB 0.0038 0.0023 -0.0037 4098 VAL 109 CG1 0.0033 0.0014 -0.0037 4099 VAL 109 CG2 0.0031 0.0030 -0.0037 4100 LEU 110 N 0.0056 0.0011 -0.0037 4101 LEU 110 CA 0.0062 0.0002 -0.0037 4102 LEU 110 C 0.0060 -0.0003 -0.0036 4103 LEU 110 O 0.0060 -0.0012 -0.0036 4104 LEU 110 CB 0.0071 0.0003 -0.0037 4105 LEU 110 CG 0.0079 -0.0004 -0.0036 4106 LEU 110 CD1 0.0076 -0.0013 -0.0036 4107 LEU 110 CD2 0.0089 -0.0001 -0.0036 4108 VAL 111 N 0.0060 0.0004 -0.0037 4109 VAL 111 CA 0.0059 0.0000 -0.0037 4110 VAL 111 C 0.0050 -0.0005 -0.0036 4111 VAL 111 O 0.0049 -0.0013 -0.0036 4112 VAL 111 CB 0.0061 0.0008 -0.0037 4113 VAL 111 CG1 0.0058 0.0005 -0.0037 4114 VAL 111 CG2 0.0072 0.0011 -0.0037 4115 CYS 112 N 0.0046 0.0016 -0.0032 4116 CYS 112 CA 0.0037 0.0012 -0.0031 4117 CYS 112 C 0.0035 0.0001 -0.0027 4118 CYS 112 O 0.0032 -0.0005 -0.0024 4119 CYS 112 CB 0.0027 0.0018 -0.0034 4120 CYS 112 SG 0.0027 0.0028 -0.0038 4121 VAL 113 N 0.0038 -0.0000 -0.0026 4122 VAL 113 CA 0.0036 -0.0009 -0.0023 4123 VAL 113 C 0.0043 -0.0017 -0.0019 4124 VAL 113 O 0.0040 -0.0025 -0.0016 4125 VAL 113 CB 0.0037 -0.0008 -0.0023 4126 VAL 113 CG1 0.0037 -0.0018 -0.0019 4127 VAL 113 CG2 0.0026 -0.0002 -0.0026 4128 LEU 114 N 0.0053 -0.0014 -0.0020 4129 LEU 114 CA 0.0061 -0.0021 -0.0017 4130 LEU 114 C 0.0057 -0.0024 -0.0016 4131 LEU 114 O 0.0058 -0.0032 -0.0012 4132 LEU 114 CB 0.0071 -0.0016 -0.0018 4133 LEU 114 CG 0.0075 -0.0013 -0.0019 4134 LEU 114 CD1 0.0086 -0.0008 -0.0021 4135 LEU 114 CD2 0.0078 -0.0024 -0.0015 4136 ALA 115 N 0.0051 0.0010 -0.0027 4137 ALA 115 CA 0.0049 0.0015 -0.0033 4138 ALA 115 C 0.0033 -0.0000 -0.0034 4139 ALA 115 O 0.0035 -0.0003 -0.0031 4140 ALA 115 CB 0.0047 0.0035 -0.0048 4141 HIS 116 N 0.0018 -0.0007 -0.0042 4142 HIS 116 CA 0.0003 -0.0021 -0.0045 4143 HIS 116 C 0.0007 -0.0038 -0.0030 4144 HIS 116 O 0.0001 -0.0048 -0.0028 4145 HIS 116 CB -0.0011 -0.0025 -0.0053 4146 HIS 116 CG -0.0028 -0.0039 -0.0058 4147 HIS 116 ND1 -0.0036 -0.0051 -0.0055 4148 HIS 116 CD2 -0.0035 -0.0036 -0.0065 4149 HIS 116 CE1 -0.0053 -0.0061 -0.0062 4150 HIS 116 NE2 -0.0051 -0.0051 -0.0067 4151 HIS 117 N 0.0015 -0.0044 -0.0019 4152 HIS 117 CA 0.0019 -0.0060 -0.0005 4153 HIS 117 C 0.0032 -0.0058 0.0004 4154 HIS 117 O 0.0031 -0.0071 0.0013 4155 HIS 117 CB 0.0024 -0.0065 0.0003 4156 HIS 117 CG 0.0026 -0.0080 0.0015 4157 HIS 117 ND1 0.0008 -0.0100 0.0014 4158 HIS 117 CD2 0.0038 -0.0091 0.0032 4159 HIS 117 CE1 0.0020 -0.0113 0.0033 4160 HIS 117 NE2 0.0032 -0.0108 0.0039 4161 PHE 118 N 0.0016 -0.0017 0.0006 4162 PHE 118 CA 0.0055 -0.0030 0.0022 4163 PHE 118 C 0.0057 -0.0030 0.0022 4164 PHE 118 O 0.0087 -0.0044 0.0038 4165 PHE 118 CB 0.0091 -0.0015 0.0012 4166 PHE 118 CG 0.0089 -0.0023 0.0019 4167 PHE 118 CD1 0.0083 -0.0008 0.0004 4168 PHE 118 CD2 0.0099 -0.0054 0.0049 4169 PHE 118 CE1 0.0080 -0.0011 0.0007 4170 PHE 118 CE2 0.0097 -0.0062 0.0056 4171 PHE 118 CZ 0.0080 -0.0045 0.0038 4172 GLY 119 N 0.0038 -0.0012 0.0004 4173 GLY 119 CA 0.0039 -0.0015 0.0006 4174 GLY 119 C 0.0084 -0.0001 -0.0002 4175 GLY 119 O 0.0108 0.0018 -0.0017 4176 LYS 120 N 0.0100 -0.0021 0.0018 4177 LYS 120 CA 0.0136 -0.0010 0.0012 4178 LYS 120 C 0.0170 -0.0016 0.0021 4179 LYS 120 O 0.0204 0.0001 0.0008 4180 LYS 120 CB 0.0136 -0.0033 0.0033 4181 LYS 120 CG 0.0161 -0.0055 0.0055 4182 LYS 120 CD 0.0181 -0.0083 0.0083 4183 LYS 120 CE 0.0172 -0.0113 0.0111 4184 LYS 120 NZ 0.0218 -0.0146 0.0145 4185 GLU 121 N 0.0108 -0.0010 0.0009 4186 GLU 121 CA 0.0116 -0.0010 0.0014 4187 GLU 121 C 0.0119 -0.0002 0.0007 4188 GLU 121 O 0.0129 0.0001 0.0010 4189 GLU 121 CB 0.0112 -0.0021 0.0024 4190 GLU 121 CG 0.0119 -0.0021 0.0029 4191 GLU 121 CD 0.0118 -0.0035 0.0043 4192 GLU 121 OE1 0.0123 -0.0032 0.0043 4193 GLU 121 OE2 0.0107 -0.0038 0.0040 4194 PHE 122 N 0.0109 -0.0000 -0.0002 4195 PHE 122 CA 0.0111 0.0008 -0.0009 4196 PHE 122 C 0.0118 0.0018 -0.0016 4197 PHE 122 O 0.0112 0.0023 -0.0026 4198 PHE 122 CB 0.0099 0.0006 -0.0015 4199 PHE 122 CG 0.0098 0.0011 -0.0021 4200 PHE 122 CD1 0.0102 0.0009 -0.0017 4201 PHE 122 CD2 0.0095 0.0019 -0.0033 4202 PHE 122 CE1 0.0102 0.0014 -0.0022 4203 PHE 122 CE2 0.0096 0.0025 -0.0039 4204 PHE 122 CZ 0.0099 0.0022 -0.0033 4205 THR 123 N 0.0129 0.0020 -0.0011 4206 THR 123 CA 0.0135 0.0030 -0.0017 4207 THR 123 C 0.0137 0.0038 -0.0025 4208 THR 123 O 0.0136 0.0038 -0.0026 4209 THR 123 CB 0.0148 0.0030 -0.0010 4210 THR 123 OG1 0.0155 0.0030 -0.0004 4211 THR 123 CG2 0.0147 0.0020 0.0002 4212 PRO 124 N 0.0091 0.0041 -0.0023 4213 PRO 124 CA 0.0092 0.0046 -0.0019 4214 PRO 124 C 0.0097 0.0047 -0.0017 4215 PRO 124 O 0.0100 0.0050 -0.0015 4216 PRO 124 CB 0.0086 0.0048 -0.0018 4217 PRO 124 CG 0.0082 0.0045 -0.0021 4218 PRO 124 CD 0.0085 0.0040 -0.0024 4219 PRO 125 N 0.0099 0.0045 -0.0019 4220 PRO 125 CA 0.0104 0.0046 -0.0018 4221 PRO 125 C 0.0110 0.0045 -0.0017 4222 PRO 125 O 0.0114 0.0048 -0.0015 4223 PRO 125 CB 0.0104 0.0043 -0.0020 4224 PRO 125 CG 0.0098 0.0043 -0.0021 4225 PRO 125 CD 0.0095 0.0042 -0.0022 4226 VAL 126 N 0.0110 0.0041 -0.0020 4227 VAL 126 CA 0.0115 0.0040 -0.0021 4228 VAL 126 C 0.0116 0.0044 -0.0018 4229 VAL 126 O 0.0120 0.0045 -0.0016 4230 VAL 126 CB 0.0114 0.0034 -0.0025 4231 VAL 126 CG1 0.0119 0.0033 -0.0025 4232 VAL 126 CG2 0.0115 0.0031 -0.0027 4233 GLN 127 N 0.0085 0.0016 -0.0025 4234 GLN 127 CA 0.0084 0.0016 -0.0028 4235 GLN 127 C 0.0085 0.0017 -0.0027 4236 GLN 127 O 0.0084 0.0015 -0.0028 4237 GLN 127 CB 0.0082 0.0017 -0.0033 4238 GLN 127 CG 0.0081 0.0016 -0.0036 4239 GLN 127 CD 0.0080 0.0018 -0.0041 4240 GLN 127 OE1 0.0080 0.0019 -0.0042 4241 GLN 127 NE2 0.0079 0.0018 -0.0044 4242 ALA 128 N 0.0087 0.0021 -0.0027 4243 ALA 128 CA 0.0089 0.0024 -0.0026 4244 ALA 128 C 0.0089 0.0022 -0.0022 4245 ALA 128 O 0.0089 0.0021 -0.0023 4246 ALA 128 CB 0.0091 0.0028 -0.0026 4247 ALA 129 N 0.0089 0.0020 -0.0019 4248 ALA 129 CA 0.0090 0.0018 -0.0015 4249 ALA 129 C 0.0087 0.0014 -0.0016 4250 ALA 129 O 0.0087 0.0013 -0.0015 4251 ALA 129 CB 0.0091 0.0017 -0.0011 4252 TYR 130 N 0.0074 0.0018 -0.0034 4253 TYR 130 CA 0.0078 0.0015 -0.0034 4254 TYR 130 C 0.0080 0.0008 -0.0032 4255 TYR 130 O 0.0081 0.0004 -0.0030 4256 TYR 130 CB 0.0084 0.0017 -0.0038 4257 TYR 130 CG 0.0082 0.0022 -0.0039 4258 TYR 130 CD1 0.0083 0.0020 -0.0038 4259 TYR 130 CD2 0.0080 0.0028 -0.0041 4260 TYR 130 CE1 0.0081 0.0023 -0.0039 4261 TYR 130 CE2 0.0078 0.0032 -0.0042 4262 TYR 130 CZ 0.0078 0.0030 -0.0041 4263 TYR 130 OH 0.0077 0.0034 -0.0042 4264 GLN 131 N 0.0081 0.0007 -0.0032 4265 GLN 131 CA 0.0083 0.0000 -0.0030 4266 GLN 131 C 0.0078 -0.0004 -0.0026 4267 GLN 131 O 0.0079 -0.0009 -0.0024 4268 GLN 131 CB 0.0085 -0.0000 -0.0030 4269 GLN 131 CG 0.0090 0.0002 -0.0034 4270 GLN 131 CD 0.0098 -0.0002 -0.0035 4271 GLN 131 OE1 0.0101 0.0001 -0.0038 4272 GLN 131 NE2 0.0097 -0.0007 -0.0032 4273 LYS 132 N 0.0072 -0.0001 -0.0025 4274 LYS 132 CA 0.0066 -0.0004 -0.0021 4275 LYS 132 C 0.0066 -0.0006 -0.0020 4276 LYS 132 O 0.0065 -0.0010 -0.0018 4277 LYS 132 CB 0.0060 -0.0000 -0.0020 4278 LYS 132 CG 0.0059 -0.0000 -0.0020 4279 LYS 132 CD 0.0053 0.0005 -0.0020 4280 LYS 132 CE 0.0055 0.0008 -0.0022 4281 LYS 132 NZ 0.0044 0.0009 -0.0018 4282 VAL 133 N 0.0020 0.0026 -0.0053 4283 VAL 133 CA 0.0012 0.0023 -0.0049 4284 VAL 133 C 0.0004 0.0021 -0.0056 4285 VAL 133 O -0.0002 0.0019 -0.0059 4286 VAL 133 CB 0.0010 0.0022 -0.0039 4287 VAL 133 CG1 0.0000 0.0018 -0.0036 4288 VAL 133 CG2 0.0018 0.0024 -0.0033 4289 VAL 134 N 0.0003 0.0020 -0.0058 4290 VAL 134 CA -0.0005 0.0018 -0.0064 4291 VAL 134 C -0.0005 0.0018 -0.0075 4292 VAL 134 O -0.0012 0.0016 -0.0078 4293 VAL 134 CB -0.0007 0.0017 -0.0064 4294 VAL 134 CG1 -0.0008 0.0017 -0.0055 4295 VAL 134 CG2 0.0000 0.0020 -0.0070 4296 ALA 135 N 0.0003 0.0021 -0.0078 4297 ALA 135 CA 0.0004 0.0022 -0.0088 4298 ALA 135 C 0.0001 0.0021 -0.0087 4299 ALA 135 O -0.0003 0.0020 -0.0093 4300 ALA 135 CB 0.0014 0.0025 -0.0091 4301 GLY 136 N -0.0054 0.0037 -0.0092 4302 GLY 136 CA -0.0050 0.0037 -0.0090 4303 GLY 136 C -0.0052 0.0034 -0.0089 4304 GLY 136 O -0.0050 0.0036 -0.0089 4305 VAL 137 N -0.0055 0.0029 -0.0089 4306 VAL 137 CA -0.0057 0.0026 -0.0089 4307 VAL 137 C -0.0061 0.0028 -0.0091 4308 VAL 137 O -0.0060 0.0029 -0.0092 4309 VAL 137 CB -0.0061 0.0019 -0.0088 4310 VAL 137 CG1 -0.0064 0.0016 -0.0088 4311 VAL 137 CG2 -0.0057 0.0017 -0.0084 4312 ALA 138 N -0.0065 0.0032 -0.0095 4313 ALA 138 CA -0.0068 0.0035 -0.0098 4314 ALA 138 C -0.0065 0.0040 -0.0098 4315 ALA 138 O -0.0066 0.0041 -0.0099 4316 ALA 138 CB -0.0072 0.0038 -0.0101 4317 ASN 139 N -0.0073 0.0059 -0.0077 4318 ASN 139 CA -0.0075 0.0059 -0.0069 4319 ASN 139 C -0.0074 0.0054 -0.0063 4320 ASN 139 O -0.0073 0.0049 -0.0057 4321 ASN 139 CB -0.0079 0.0065 -0.0067 4322 ASN 139 CG -0.0082 0.0069 -0.0065 4323 ASN 139 OD1 -0.0083 0.0066 -0.0055 4324 ASN 139 ND2 -0.0079 0.0068 -0.0072 4325 ALA 140 N -0.0074 0.0055 -0.0064 4326 ALA 140 CA -0.0073 0.0051 -0.0059 4327 ALA 140 C -0.0068 0.0043 -0.0061 4328 ALA 140 O -0.0067 0.0039 -0.0054 4329 ALA 140 CB -0.0074 0.0053 -0.0061 4330 LEU 141 N -0.0065 0.0041 -0.0067 4331 LEU 141 CA -0.0060 0.0034 -0.0069 4332 LEU 141 C -0.0059 0.0030 -0.0065 4333 LEU 141 O -0.0055 0.0024 -0.0064 4334 LEU 141 CB -0.0057 0.0034 -0.0078 4335 LEU 141 CG -0.0057 0.0034 -0.0081 4336 LEU 141 CD1 -0.0053 0.0031 -0.0089 4337 LEU 141 CD2 -0.0053 0.0025 -0.0076 4338 ALA 142 N -0.0051 0.0055 -0.0051 4339 ALA 142 CA -0.0050 0.0054 -0.0040 4340 ALA 142 C -0.0051 0.0055 -0.0020 4341 ALA 142 O -0.0048 0.0051 -0.0012 4342 ALA 142 CB -0.0059 0.0065 -0.0047 4343 HIS 143 N -0.0054 0.0058 -0.0013 4344 HIS 143 CA -0.0057 0.0062 0.0006 4345 HIS 143 C -0.0046 0.0049 0.0020 4346 HIS 143 O -0.0051 0.0054 0.0033 4347 HIS 143 CB -0.0063 0.0069 0.0008 4348 HIS 143 CG -0.0066 0.0072 0.0025 4349 HIS 143 ND1 -0.0061 0.0067 0.0035 4350 HIS 143 CD2 -0.0079 0.0088 0.0033 4351 HIS 143 CE1 -0.0069 0.0076 0.0053 4352 HIS 143 NE2 -0.0079 0.0089 0.0048 4353 LYS 144 N -0.0036 0.0037 0.0015 4354 LYS 144 CA -0.0025 0.0023 0.0024 4355 LYS 144 C -0.0021 0.0019 0.0026 4356 LYS 144 O -0.0010 0.0006 0.0032 4357 LYS 144 CB -0.0019 0.0016 0.0029 4358 LYS 144 CG -0.0025 0.0024 0.0032 4359 LYS 144 CD -0.0025 0.0023 0.0050 4360 LYS 144 CE -0.0027 0.0027 0.0058 4361 LYS 144 NZ -0.0019 0.0017 0.0081 4362 TYR 145 N -0.0004 0.0016 0.0023 4363 TYR 145 CA 0.0001 0.0008 0.0018 4364 TYR 145 C -0.0001 -0.0000 0.0020 4365 TYR 145 O -0.0005 0.0004 0.0024 4366 TYR 145 CB 0.0009 0.0013 0.0009 4367 TYR 145 CG 0.0014 0.0014 0.0003 4368 TYR 145 CD1 0.0021 0.0010 -0.0004 4369 TYR 145 CD2 0.0011 0.0024 0.0007 4370 TYR 145 CE1 0.0025 0.0012 -0.0008 4371 TYR 145 CE2 0.0016 0.0026 0.0002 4372 TYR 145 CZ 0.0022 0.0021 -0.0005 4373 TYR 145 OH 0.0026 0.0023 -0.0010 4374 HIS 146 N -0.0000 -0.0010 0.0019 4375 HIS 146 CA -0.0002 -0.0020 0.0021 4376 HIS 146 C 0.0003 -0.0030 0.0016 4377 HIS 146 O 0.0009 -0.0031 0.0010 4378 HIS 146 CB -0.0011 -0.0022 0.0031 4379 HIS 146 CG -0.0011 -0.0025 0.0031 4380 HIS 146 ND1 -0.0012 -0.0040 0.0033 4381 HIS 146 CD2 -0.0008 -0.0027 0.0028 4382 HIS 146 CE1 -0.0013 -0.0041 0.0033 4383 HIS 146 NE2 -0.0009 -0.0035 0.0029 4384 HIS 146 OXT 0.0002 -0.0037 0.0017