1 GLY 1 N 0.0012 0.0056 0.0107 2 GLY 1 CA -0.0037 0.0060 0.0080 3 GLY 1 C -0.0025 0.0072 0.0045 4 GLY 1 O 0.0015 0.0073 0.0052 5 ARG 2 N -0.0078 0.0081 -0.0024 6 ARG 2 CA -0.0032 0.0059 -0.0038 7 ARG 2 C -0.0050 0.0080 -0.0008 8 ARG 2 O -0.0105 0.0094 -0.0017 9 ARG 2 CB -0.0035 0.0022 -0.0107 10 ARG 2 CG 0.0022 -0.0006 -0.0125 11 ARG 2 CD 0.0020 -0.0042 -0.0193 12 ARG 2 NE 0.0035 -0.0064 -0.0223 13 ARG 2 CZ 0.0062 -0.0100 -0.0274 14 ARG 2 NH1 0.0077 -0.0121 -0.0305 15 ARG 2 NH2 0.0073 -0.0115 -0.0295 16 ILE 3 N 0.0035 0.0125 0.0127 17 ILE 3 CA -0.0013 0.0055 0.0038 18 ILE 3 C -0.0031 0.0104 0.0038 19 ILE 3 O -0.0050 0.0216 0.0066 20 ILE 3 CB -0.0097 0.0059 -0.0061 21 ILE 3 CG1 -0.0073 -0.0014 -0.0065 22 ILE 3 CG2 -0.0156 0.0007 -0.0156 23 ILE 3 CD1 -0.0150 -0.0001 -0.0153 24 ALA 4 N 0.0018 0.0072 0.0040 25 ALA 4 CA 0.0021 0.0077 0.0051 26 ALA 4 C -0.0009 0.0114 0.0048 27 ALA 4 O -0.0036 0.0120 0.0015 28 ALA 4 CB 0.0033 0.0041 0.0027 29 SER 5 N -0.0005 0.0125 0.0047 30 SER 5 CA 0.0001 0.0102 0.0050 31 SER 5 C 0.0001 0.0107 0.0057 32 SER 5 O 0.0007 0.0090 0.0065 33 SER 5 CB -0.0000 0.0086 0.0025 34 SER 5 OG -0.0007 0.0098 0.0005 35 ILE 6 N 0.0017 0.0146 0.0057 36 ILE 6 CA 0.0016 0.0144 0.0053 37 ILE 6 C 0.0019 0.0159 0.0071 38 ILE 6 O 0.0013 0.0178 0.0077 39 ILE 6 CB 0.0000 0.0149 0.0032 40 ILE 6 CG1 -0.0002 0.0133 0.0014 41 ILE 6 CG2 -0.0002 0.0150 0.0029 42 ILE 6 CD1 -0.0018 0.0141 -0.0006 43 PRO 7 N 0.0007 0.0199 0.0047 44 PRO 7 CA -0.0008 0.0200 0.0049 45 PRO 7 C -0.0021 0.0202 0.0048 46 PRO 7 O -0.0023 0.0206 0.0038 47 PRO 7 CB -0.0007 0.0204 0.0038 48 PRO 7 CG 0.0010 0.0203 0.0036 49 PRO 7 CD 0.0017 0.0201 0.0038 50 GLY 8 N -0.0063 0.0167 0.0066 51 GLY 8 CA -0.0048 0.0145 0.0070 52 GLY 8 C -0.0002 0.0109 0.0084 53 GLY 8 O 0.0008 0.0079 0.0086 54 GLU 9 N 0.0004 0.0075 0.0074 55 GLU 9 CA 0.0038 0.0054 0.0063 56 GLU 9 C 0.0038 0.0015 0.0039 57 GLU 9 O 0.0069 0.0000 0.0032 58 GLU 9 CB 0.0034 0.0058 0.0065 59 GLU 9 CG 0.0069 0.0041 0.0057 60 GLU 9 CD 0.0062 0.0047 0.0061 61 GLU 9 OE1 0.0030 0.0064 0.0069 62 GLU 9 OE2 0.0089 0.0034 0.0055 63 ALA 10 N -0.0006 -0.0015 0.0052 64 ALA 10 CA -0.0029 -0.0094 0.0037 65 ALA 10 C -0.0063 -0.0108 0.0029 66 ALA 10 O -0.0045 -0.0167 0.0025 67 ALA 10 CB -0.0088 -0.0116 0.0023 68 GLU 11 N -0.0088 -0.0074 0.0073 69 GLU 11 CA -0.0124 -0.0074 0.0068 70 GLU 11 C -0.0087 -0.0075 0.0073 71 GLU 11 O -0.0100 -0.0107 0.0070 72 GLU 11 CB -0.0163 -0.0016 0.0065 73 GLU 11 CG -0.0212 -0.0011 0.0059 74 GLU 11 CD -0.0241 0.0053 0.0058 75 GLU 11 OE1 -0.0226 0.0091 0.0062 76 GLU 11 OE2 -0.0276 0.0064 0.0053 77 TYR 12 N 0.0009 -0.0025 0.0074 78 TYR 12 CA 0.0050 -0.0025 0.0084 79 TYR 12 C 0.0094 -0.0052 0.0084 80 TYR 12 O 0.0134 -0.0048 0.0095 81 TYR 12 CB 0.0062 0.0025 0.0106 82 TYR 12 CG 0.0025 0.0050 0.0106 83 TYR 12 CD1 0.0024 0.0041 0.0102 84 TYR 12 CD2 -0.0012 0.0081 0.0109 85 TYR 12 CE1 -0.0013 0.0061 0.0101 86 TYR 12 CE2 -0.0049 0.0100 0.0107 87 TYR 12 CZ -0.0050 0.0090 0.0103 88 TYR 12 OH -0.0090 0.0107 0.0100 89 LEU 13 N 0.0083 -0.0072 0.0021 90 LEU 13 CA 0.0117 -0.0099 0.0008 91 LEU 13 C 0.0170 -0.0144 -0.0015 92 LEU 13 O 0.0163 -0.0169 -0.0055 93 LEU 13 CB 0.0072 -0.0105 -0.0033 94 LEU 13 CG 0.0099 -0.0125 -0.0042 95 LEU 13 CD1 0.0117 -0.0094 0.0014 96 LEU 13 CD2 0.0053 -0.0133 -0.0088 97 GLY 14 N 0.0181 -0.0099 -0.0049 98 GLY 14 CA 0.0265 -0.0193 -0.0067 99 GLY 14 C 0.0292 -0.0194 -0.0042 100 GLY 14 O 0.0357 -0.0269 -0.0057 101 ARG 15 N 0.0181 -0.0092 0.0090 102 ARG 15 CA 0.0171 -0.0058 0.0102 103 ARG 15 C 0.0187 -0.0005 0.0124 104 ARG 15 O 0.0162 0.0034 0.0136 105 ARG 15 CB 0.0111 -0.0055 0.0094 106 ARG 15 CG 0.0090 -0.0105 0.0072 107 ARG 15 CD 0.0035 -0.0096 0.0068 108 ARG 15 NE -0.0008 -0.0080 0.0068 109 ARG 15 CZ -0.0052 -0.0049 0.0073 110 ARG 15 NH1 -0.0061 -0.0028 0.0080 111 ARG 15 NH2 -0.0088 -0.0038 0.0072 112 GLY 16 N 0.0194 -0.0022 0.0078 113 GLY 16 CA 0.0190 -0.0022 0.0090 114 GLY 16 C 0.0173 -0.0031 0.0084 115 GLY 16 O 0.0172 -0.0032 0.0084 116 VAL 17 N 0.0178 -0.0001 0.0081 117 VAL 17 CA 0.0159 -0.0002 0.0076 118 VAL 17 C 0.0166 -0.0011 0.0056 119 VAL 17 O 0.0173 -0.0018 0.0038 120 VAL 17 CB 0.0133 -0.0003 0.0073 121 VAL 17 CG1 0.0115 -0.0005 0.0067 122 VAL 17 CG2 0.0126 0.0006 0.0095 123 SER 18 N 0.0085 -0.0050 -0.0075 124 SER 18 CA 0.0059 -0.0024 -0.0083 125 SER 18 C 0.0031 -0.0030 -0.0087 126 SER 18 O 0.0028 -0.0058 -0.0083 127 SER 18 CB 0.0040 -0.0024 -0.0086 128 SER 18 OG 0.0014 0.0002 -0.0094 129 TYR 19 N 0.0002 0.0063 -0.0090 130 TYR 19 CA -0.0020 0.0038 -0.0114 131 TYR 19 C -0.0050 0.0060 -0.0150 132 TYR 19 O -0.0070 0.0052 -0.0172 133 TYR 19 CB -0.0012 0.0036 -0.0105 134 TYR 19 CG 0.0019 0.0018 -0.0069 135 TYR 19 CD1 0.0024 -0.0029 -0.0060 136 TYR 19 CD2 0.0043 0.0047 -0.0043 137 TYR 19 CE1 0.0052 -0.0045 -0.0027 138 TYR 19 CE2 0.0071 0.0031 -0.0010 139 TYR 19 CZ 0.0076 -0.0015 -0.0002 140 TYR 19 OH 0.0105 -0.0031 0.0032 141 CYS 20 N -0.0150 0.0087 -0.0243 142 CYS 20 CA -0.0159 0.0090 -0.0242 143 CYS 20 C -0.0134 0.0060 -0.0215 144 CYS 20 O -0.0094 0.0052 -0.0224 145 CYS 20 CB -0.0145 0.0115 -0.0284 146 CYS 20 SG -0.0168 0.0125 -0.0286 147 ALA 21 N -0.0139 0.0099 -0.0140 148 ALA 21 CA -0.0106 0.0094 -0.0107 149 ALA 21 C -0.0060 0.0034 -0.0087 150 ALA 21 O -0.0041 0.0005 -0.0082 151 ALA 21 CB -0.0092 0.0155 -0.0059 152 THR 22 N -0.0091 -0.0021 -0.0039 153 THR 22 CA -0.0006 -0.0158 0.0014 154 THR 22 C 0.0056 -0.0298 -0.0157 155 THR 22 O 0.0148 -0.0449 -0.0118 156 THR 22 CB -0.0040 -0.0085 0.0089 157 THR 22 OG1 -0.0122 0.0030 -0.0052 158 THR 22 CG2 -0.0081 0.0023 0.0291 159 CYS 23 N 0.0245 -0.0245 -0.0177 160 CYS 23 CA 0.0128 -0.0567 -0.0399 161 CYS 23 C 0.0028 -0.0404 -0.0359 162 CYS 23 O 0.0211 -0.0592 -0.0374 163 CYS 23 CB -0.0262 -0.0728 -0.0661 164 CYS 23 SG -0.0297 -0.1258 -0.0953 165 ASP 24 N -0.0091 -0.0135 -0.0153 166 ASP 24 CA -0.0102 -0.0119 -0.0142 167 ASP 24 C -0.0092 -0.0096 -0.0138 168 ASP 24 O -0.0099 -0.0081 -0.0130 169 ASP 24 CB -0.0125 -0.0121 -0.0133 170 ASP 24 CG -0.0137 -0.0143 -0.0136 171 ASP 24 OD1 -0.0130 -0.0156 -0.0144 172 ASP 24 OD2 -0.0156 -0.0145 -0.0129 173 GLY 25 N -0.0081 -0.0062 -0.0138 174 GLY 25 CA -0.0077 -0.0058 -0.0122 175 GLY 25 C -0.0066 -0.0078 -0.0118 176 GLY 25 O -0.0066 -0.0078 -0.0114 177 ALA 26 N -0.0092 -0.0147 -0.0187 178 ALA 26 CA -0.0084 -0.0147 -0.0186 179 ALA 26 C -0.0075 -0.0148 -0.0182 180 ALA 26 O -0.0070 -0.0150 -0.0178 181 ALA 26 CB -0.0082 -0.0141 -0.0194 182 PHE 27 N -0.0210 -0.0156 -0.0339 183 PHE 27 CA -0.0104 -0.0078 -0.0096 184 PHE 27 C -0.0065 -0.0266 -0.0033 185 PHE 27 O 0.0007 -0.0197 0.0132 186 PHE 27 CB -0.0005 -0.0085 0.0121 187 PHE 27 CG -0.0042 0.0098 0.0060 188 PHE 27 CD1 -0.0097 -0.0018 -0.0074 189 PHE 27 CD2 -0.0021 0.0382 0.0139 190 PHE 27 CE1 -0.0132 0.0142 -0.0132 191 PHE 27 CE2 -0.0055 0.0545 0.0083 192 PHE 27 CZ -0.0111 0.0425 -0.0053 193 TYR 28 N -0.0069 -0.0087 0.0046 194 TYR 28 CA -0.0062 -0.0117 0.0042 195 TYR 28 C -0.0085 -0.0128 0.0025 196 TYR 28 O -0.0086 -0.0155 0.0017 197 TYR 28 CB -0.0055 -0.0138 0.0041 198 TYR 28 CG -0.0030 -0.0130 0.0058 199 TYR 28 CD1 -0.0005 -0.0139 0.0071 200 TYR 28 CD2 -0.0032 -0.0112 0.0062 201 TYR 28 CE1 0.0017 -0.0128 0.0088 202 TYR 28 CE2 -0.0009 -0.0101 0.0079 203 TYR 28 CZ 0.0015 -0.0109 0.0092 204 TYR 28 OH 0.0037 -0.0098 0.0109 205 ARG 29 N -0.0200 -0.0250 -0.0043 206 ARG 29 CA -0.0136 -0.0193 -0.0030 207 ARG 29 C -0.0224 -0.0087 -0.0095 208 ARG 29 O -0.0345 -0.0127 -0.0136 209 ARG 29 CB -0.0099 -0.0317 0.0017 210 ARG 29 CG -0.0001 -0.0258 0.0044 211 ARG 29 CD 0.0032 -0.0374 0.0087 212 ARG 29 NE 0.0084 -0.0502 0.0142 213 ARG 29 CZ 0.0216 -0.0506 0.0200 214 ARG 29 NH1 0.0315 -0.0395 0.0214 215 ARG 29 NH2 0.0247 -0.0626 0.0244 216 ASN 30 N -0.0185 0.0080 -0.0033 217 ASN 30 CA -0.0247 0.0168 -0.0145 218 ASN 30 C -0.0208 0.0081 0.0074 219 ASN 30 O -0.0335 0.0203 0.0113 220 ASN 30 CB -0.0488 0.0434 -0.0233 221 ASN 30 CG -0.0490 0.0501 -0.0534 222 ASN 30 OD1 -0.0579 0.0593 -0.0533 223 ASN 30 ND2 -0.0386 0.0452 -0.0804 224 ARG 31 N -0.0132 0.0001 -0.0060 225 ARG 31 CA -0.0130 -0.0031 -0.0006 226 ARG 31 C -0.0025 -0.0080 -0.0054 227 ARG 31 O 0.0050 -0.0107 -0.0104 228 ARG 31 CB -0.0151 -0.0087 0.0121 229 ARG 31 CG -0.0260 -0.0040 0.0178 230 ARG 31 CD -0.0290 -0.0089 0.0305 231 ARG 31 NE -0.0390 -0.0042 0.0350 232 ARG 31 CZ -0.0483 0.0021 0.0357 233 ARG 31 NH1 -0.0498 0.0047 0.0330 234 ARG 31 NH2 -0.0566 0.0061 0.0393 235 GLU 32 N 0.0062 -0.0154 0.0010 236 GLU 32 CA 0.0081 -0.0151 0.0004 237 GLU 32 C 0.0103 -0.0122 0.0019 238 GLU 32 O 0.0120 -0.0110 0.0022 239 GLU 32 CB 0.0103 -0.0171 -0.0024 240 GLU 32 CG 0.0083 -0.0201 -0.0042 241 GLU 32 CD 0.0076 -0.0215 -0.0051 242 GLU 32 OE1 0.0046 -0.0225 -0.0046 243 GLU 32 OE2 0.0100 -0.0215 -0.0063 244 VAL 33 N 0.0142 -0.0067 0.0020 245 VAL 33 CA 0.0150 -0.0047 0.0025 246 VAL 33 C 0.0156 -0.0048 0.0023 247 VAL 33 O 0.0149 -0.0062 0.0020 248 VAL 33 CB 0.0136 -0.0031 0.0036 249 VAL 33 CG1 0.0129 -0.0029 0.0039 250 VAL 33 CG2 0.0117 -0.0035 0.0040 251 VAL 34 N 0.0153 -0.0025 0.0060 252 VAL 34 CA 0.0135 -0.0005 0.0064 253 VAL 34 C 0.0121 0.0014 0.0062 254 VAL 34 O 0.0126 0.0018 0.0043 255 VAL 34 CB 0.0137 0.0003 0.0045 256 VAL 34 CG1 0.0118 0.0025 0.0049 257 VAL 34 CG2 0.0151 -0.0015 0.0048 258 VAL 35 N 0.0112 0.0071 0.0095 259 VAL 35 CA 0.0085 0.0084 0.0077 260 VAL 35 C 0.0069 0.0072 0.0085 261 VAL 35 O 0.0062 0.0049 0.0105 262 VAL 35 CB 0.0059 0.0084 0.0072 263 VAL 35 CG1 0.0029 0.0097 0.0054 264 VAL 35 CG2 0.0074 0.0099 0.0062 265 VAL 36 N 0.0026 0.0006 0.0067 266 VAL 36 CA -0.0001 -0.0000 0.0074 267 VAL 36 C -0.0013 -0.0010 0.0056 268 VAL 36 O -0.0011 -0.0018 0.0034 269 VAL 36 CB -0.0014 -0.0004 0.0073 270 VAL 36 CG1 -0.0040 -0.0007 0.0089 271 VAL 36 CG2 0.0003 0.0004 0.0083 272 GLY 37 N -0.0042 -0.0041 0.0107 273 GLY 37 CA -0.0064 -0.0051 0.0087 274 GLY 37 C -0.0072 -0.0055 0.0082 275 GLY 37 O -0.0057 -0.0045 0.0084 276 LEU 38 N -0.0083 -0.0091 0.0079 277 LEU 38 CA -0.0036 -0.0081 0.0057 278 LEU 38 C -0.0027 -0.0147 0.0004 279 LEU 38 O -0.0071 -0.0189 0.0001 280 LEU 38 CB -0.0065 -0.0051 0.0096 281 LEU 38 CG -0.0022 -0.0039 0.0078 282 LEU 38 CD1 0.0052 0.0006 0.0063 283 LEU 38 CD2 -0.0058 -0.0009 0.0123 284 ASN 39 N -0.0109 -0.0224 -0.0098 285 ASN 39 CA -0.0109 -0.0239 -0.0126 286 ASN 39 C -0.0094 -0.0216 -0.0150 287 ASN 39 O -0.0085 -0.0190 -0.0140 288 ASN 39 CB -0.0117 -0.0252 -0.0118 289 ASN 39 CG -0.0112 -0.0230 -0.0098 290 ASN 39 OD1 -0.0099 -0.0207 -0.0108 291 ASN 39 ND2 -0.0121 -0.0238 -0.0069 292 PRO 40 N -0.0090 -0.0327 -0.0228 293 PRO 40 CA -0.0037 -0.0274 -0.0287 294 PRO 40 C -0.0054 -0.0224 -0.0256 295 PRO 40 O -0.0026 -0.0139 -0.0275 296 PRO 40 CB 0.0003 -0.0356 -0.0357 297 PRO 40 CG -0.0011 -0.0427 -0.0353 298 PRO 40 CD -0.0080 -0.0428 -0.0262 299 GLU 41 N -0.0143 -0.0186 -0.0166 300 GLU 41 CA -0.0107 -0.0122 -0.0146 301 GLU 41 C -0.0079 -0.0082 -0.0079 302 GLU 41 O -0.0045 -0.0018 -0.0087 303 GLU 41 CB -0.0116 -0.0144 -0.0120 304 GLU 41 CG -0.0082 -0.0082 -0.0113 305 GLU 41 CD -0.0093 -0.0108 -0.0080 306 GLU 41 OE1 -0.0125 -0.0171 -0.0053 307 GLU 41 OE2 -0.0069 -0.0063 -0.0081 308 ALA 42 N -0.0065 -0.0049 -0.0030 309 ALA 42 CA -0.0071 0.0003 0.0009 310 ALA 42 C -0.0041 0.0053 -0.0021 311 ALA 42 O -0.0033 0.0109 -0.0006 312 ALA 42 CB -0.0100 -0.0022 0.0051 313 VAL 43 N -0.0035 0.0018 0.0005 314 VAL 43 CA -0.0022 0.0051 -0.0034 315 VAL 43 C -0.0004 0.0104 -0.0069 316 VAL 43 O 0.0010 0.0157 -0.0065 317 VAL 43 CB -0.0030 0.0007 -0.0082 318 VAL 43 CG1 -0.0015 0.0042 -0.0131 319 VAL 43 CG2 -0.0046 -0.0039 -0.0047 320 GLU 44 N -0.0033 0.0085 -0.0101 321 GLU 44 CA 0.0022 0.0152 -0.0179 322 GLU 44 C -0.0011 0.0258 -0.0085 323 GLU 44 O 0.0032 0.0390 -0.0120 324 GLU 44 CB 0.0047 0.0015 -0.0269 325 GLU 44 CG 0.0099 -0.0058 -0.0388 326 GLU 44 CD 0.0115 -0.0211 -0.0468 327 GLU 44 OE1 0.0145 -0.0210 -0.0521 328 GLU 44 OE2 0.0101 -0.0329 -0.0481 329 GLU 45 N -0.0041 0.0217 -0.0045 330 GLU 45 CA -0.0052 0.0233 -0.0027 331 GLU 45 C -0.0048 0.0285 0.0006 332 GLU 45 O -0.0031 0.0310 0.0011 333 GLU 45 CB -0.0100 0.0203 -0.0013 334 GLU 45 CG -0.0101 0.0153 -0.0046 335 GLU 45 CD -0.0076 0.0151 -0.0064 336 GLU 45 OE1 -0.0101 0.0140 -0.0055 337 GLU 45 OE2 -0.0033 0.0164 -0.0087 338 ALA 46 N -0.0000 0.0279 0.0035 339 ALA 46 CA 0.0008 0.0288 0.0054 340 ALA 46 C 0.0006 0.0320 0.0015 341 ALA 46 O 0.0021 0.0354 0.0028 342 ALA 46 CB -0.0002 0.0237 0.0071 343 GLN 47 N 0.0003 0.0391 0.0023 344 GLN 47 CA -0.0055 0.0417 -0.0017 345 GLN 47 C -0.0094 0.0478 0.0018 346 GLN 47 O -0.0146 0.0506 -0.0011 347 GLN 47 CB -0.0061 0.0399 -0.0050 348 GLN 47 CG -0.0028 0.0339 -0.0092 349 GLN 47 CD -0.0054 0.0329 -0.0141 350 GLN 47 OE1 -0.0097 0.0337 -0.0187 351 GLN 47 NE2 -0.0030 0.0314 -0.0132 352 VAL 48 N -0.0016 0.0392 0.0079 353 VAL 48 CA -0.0019 0.0340 0.0066 354 VAL 48 C -0.0038 0.0335 0.0045 355 VAL 48 O -0.0027 0.0305 0.0051 356 VAL 48 CB -0.0035 0.0314 0.0044 357 VAL 48 CG1 -0.0041 0.0261 0.0028 358 VAL 48 CG2 -0.0010 0.0313 0.0071 359 LEU 49 N 0.0008 0.0179 0.0018 360 LEU 49 CA 0.0012 0.0165 0.0002 361 LEU 49 C 0.0014 0.0153 0.0016 362 LEU 49 O 0.0019 0.0134 0.0008 363 LEU 49 CB 0.0008 0.0182 -0.0019 364 LEU 49 CG 0.0006 0.0190 -0.0038 365 LEU 49 CD1 0.0002 0.0211 -0.0055 366 LEU 49 CD2 0.0012 0.0169 -0.0055 367 THR 50 N 0.0011 0.0190 0.0033 368 THR 50 CA -0.0017 0.0103 0.0058 369 THR 50 C -0.0053 0.0044 0.0094 370 THR 50 O -0.0071 -0.0036 0.0109 371 THR 50 CB -0.0061 0.0115 0.0109 372 THR 50 OG1 -0.0109 0.0175 0.0168 373 THR 50 CG2 -0.0027 0.0158 0.0074 374 LYS 51 N -0.0116 -0.0052 0.0201 375 LYS 51 CA -0.0118 -0.0084 0.0216 376 LYS 51 C 0.0058 -0.0135 0.0144 377 LYS 51 O 0.0082 -0.0178 0.0150 378 LYS 51 CB -0.0207 0.0086 0.0189 379 LYS 51 CG -0.0388 0.0146 0.0260 380 LYS 51 CD -0.0463 0.0332 0.0219 381 LYS 51 CE -0.0648 0.0387 0.0293 382 LYS 51 NZ -0.0672 0.0521 0.0248 383 PHE 52 N -0.0009 -0.0042 0.0052 384 PHE 52 CA -0.0005 -0.0084 0.0002 385 PHE 52 C -0.0012 -0.0074 -0.0029 386 PHE 52 O -0.0003 -0.0115 -0.0040 387 PHE 52 CB -0.0013 -0.0078 -0.0046 388 PHE 52 CG -0.0008 -0.0085 -0.0020 389 PHE 52 CD1 0.0008 -0.0140 0.0001 390 PHE 52 CD2 -0.0019 -0.0037 -0.0016 391 PHE 52 CE1 0.0013 -0.0147 0.0024 392 PHE 52 CE2 -0.0014 -0.0044 0.0007 393 PHE 52 CZ 0.0002 -0.0099 0.0027 394 ALA 53 N 0.0032 -0.0069 -0.0054 395 ALA 53 CA 0.0052 -0.0080 -0.0088 396 ALA 53 C 0.0037 -0.0101 -0.0126 397 ALA 53 O 0.0025 -0.0106 -0.0131 398 ALA 53 CB 0.0098 -0.0069 -0.0088 399 SER 54 N -0.0064 -0.0165 -0.0076 400 SER 54 CA -0.0071 -0.0195 -0.0122 401 SER 54 C -0.0035 -0.0189 -0.0144 402 SER 54 O -0.0048 -0.0205 -0.0161 403 SER 54 CB -0.0064 -0.0213 -0.0160 404 SER 54 OG -0.0104 -0.0226 -0.0149 405 THR 55 N 0.0105 -0.0174 -0.0015 406 THR 55 CA 0.0112 -0.0172 -0.0017 407 THR 55 C 0.0127 -0.0114 -0.0011 408 THR 55 O 0.0159 -0.0086 -0.0018 409 THR 55 CB 0.0152 -0.0205 -0.0042 410 THR 55 OG1 0.0142 -0.0261 -0.0049 411 THR 55 CG2 0.0157 -0.0201 -0.0042 412 VAL 56 N 0.0172 -0.0049 0.0049 413 VAL 56 CA 0.0169 0.0003 0.0036 414 VAL 56 C 0.0172 -0.0008 0.0037 415 VAL 56 O 0.0138 -0.0025 0.0059 416 VAL 56 CB 0.0120 0.0037 0.0050 417 VAL 56 CG1 0.0117 0.0091 0.0036 418 VAL 56 CG2 0.0116 0.0048 0.0049 419 HIS 57 N 0.0151 -0.0048 0.0078 420 HIS 57 CA 0.0155 -0.0026 0.0065 421 HIS 57 C 0.0150 0.0017 0.0071 422 HIS 57 O 0.0156 0.0034 0.0056 423 HIS 57 CB 0.0174 -0.0032 0.0026 424 HIS 57 CG 0.0180 -0.0073 0.0017 425 HIS 57 ND1 0.0177 -0.0088 0.0024 426 HIS 57 CD2 0.0189 -0.0100 0.0001 427 HIS 57 CE1 0.0184 -0.0124 0.0013 428 HIS 57 NE2 0.0191 -0.0133 -0.0001 429 TRP 58 N 0.0089 0.0032 0.0130 430 TRP 58 CA 0.0073 0.0043 0.0123 431 TRP 58 C 0.0070 0.0036 0.0128 432 TRP 58 O 0.0064 0.0020 0.0140 433 TRP 58 CB 0.0050 0.0043 0.0123 434 TRP 58 CG 0.0033 0.0057 0.0112 435 TRP 58 CD1 0.0036 0.0072 0.0101 436 TRP 58 CD2 0.0009 0.0056 0.0113 437 TRP 58 NE1 0.0017 0.0080 0.0095 438 TRP 58 CE2 -0.0001 0.0071 0.0102 439 TRP 58 CE3 -0.0005 0.0044 0.0122 440 TRP 58 CZ2 -0.0023 0.0074 0.0100 441 TRP 58 CZ3 -0.0028 0.0046 0.0120 442 TRP 58 CH2 -0.0037 0.0061 0.0109 443 ILE 59 N 0.0041 -0.0021 0.0127 444 ILE 59 CA 0.0024 -0.0004 0.0120 445 ILE 59 C 0.0012 0.0010 0.0121 446 ILE 59 O 0.0011 0.0007 0.0108 447 ILE 59 CB 0.0020 -0.0009 0.0094 448 ILE 59 CG1 0.0031 -0.0023 0.0093 449 ILE 59 CG2 0.0001 0.0010 0.0086 450 ILE 59 CD1 0.0029 -0.0030 0.0068 451 THR 60 N 0.0002 0.0003 0.0170 452 THR 60 CA 0.0007 -0.0006 0.0166 453 THR 60 C 0.0009 -0.0013 0.0169 454 THR 60 O 0.0009 -0.0012 0.0168 455 THR 60 CB 0.0008 -0.0006 0.0155 456 THR 60 OG1 0.0008 -0.0004 0.0149 457 THR 60 CG2 0.0005 0.0002 0.0152 458 PRO 61 N 0.0019 -0.0061 0.0158 459 PRO 61 CA 0.0028 -0.0054 0.0149 460 PRO 61 C 0.0060 -0.0039 0.0128 461 PRO 61 O 0.0069 -0.0030 0.0118 462 PRO 61 CB 0.0038 -0.0080 0.0174 463 PRO 61 CG 0.0053 -0.0098 0.0190 464 PRO 61 CD 0.0029 -0.0089 0.0185 465 LYS 62 N 0.0097 -0.0009 0.0206 466 LYS 62 CA 0.0152 -0.0009 0.0134 467 LYS 62 C 0.0096 0.0010 0.0099 468 LYS 62 O 0.0023 0.0019 0.0139 469 LYS 62 CB 0.0246 -0.0036 0.0168 470 LYS 62 CG 0.0240 -0.0047 0.0236 471 LYS 62 CD 0.0331 -0.0075 0.0276 472 LYS 62 CE 0.0359 -0.0096 0.0358 473 LYS 62 NZ 0.0444 -0.0121 0.0396 474 ASP 63 N 0.0117 -0.0009 0.0172 475 ASP 63 CA 0.0136 0.0006 0.0159 476 ASP 63 C 0.0142 0.0015 0.0111 477 ASP 63 O 0.0117 0.0001 0.0086 478 ASP 63 CB 0.0117 -0.0009 0.0176 479 ASP 63 CG 0.0129 0.0001 0.0159 480 ASP 63 OD1 0.0119 -0.0002 0.0121 481 ASP 63 OD2 0.0147 0.0011 0.0182 482 PRO 64 N 0.0058 0.0029 0.0069 483 PRO 64 CA 0.0061 0.0037 0.0040 484 PRO 64 C 0.0062 0.0026 -0.0004 485 PRO 64 O 0.0064 0.0026 -0.0029 486 PRO 64 CB 0.0070 0.0083 0.0044 487 PRO 64 CG 0.0070 0.0097 0.0081 488 PRO 64 CD 0.0064 0.0067 0.0084 489 HIS 65 N 0.0116 0.0103 -0.0120 490 HIS 65 CA 0.0134 0.0106 -0.0113 491 HIS 65 C 0.0161 0.0110 -0.0098 492 HIS 65 O 0.0177 0.0111 -0.0085 493 HIS 65 CB 0.0138 0.0115 -0.0138 494 HIS 65 CG 0.0111 0.0110 -0.0151 495 HIS 65 ND1 0.0099 0.0114 -0.0175 496 HIS 65 CD2 0.0096 0.0103 -0.0142 497 HIS 65 CE1 0.0077 0.0109 -0.0181 498 HIS 65 NE2 0.0074 0.0102 -0.0162 499 THR 66 N -0.0025 0.0101 -0.0070 500 THR 66 CA -0.0075 0.0108 -0.0115 501 THR 66 C -0.0094 0.0201 -0.0211 502 THR 66 O -0.0164 0.0201 -0.0266 503 THR 66 CB -0.0016 0.0099 -0.0062 504 THR 66 OG1 0.0087 0.0170 -0.0043 505 THR 66 CG2 -0.0013 -0.0003 0.0029 506 LEU 67 N 0.0036 0.0033 -0.0230 507 LEU 67 CA 0.0080 -0.0038 -0.0237 508 LEU 67 C 0.0167 -0.0024 -0.0229 509 LEU 67 O 0.0209 -0.0073 -0.0233 510 LEU 67 CB 0.0052 -0.0082 -0.0245 511 LEU 67 CG -0.0023 -0.0128 -0.0257 512 LEU 67 CD1 -0.0034 -0.0178 -0.0265 513 LEU 67 CD2 -0.0023 -0.0180 -0.0264 514 ASP 68 N 0.0051 0.0216 -0.0337 515 ASP 68 CA 0.0265 0.0302 0.0128 516 ASP 68 C 0.0801 -0.0066 0.0260 517 ASP 68 O 0.0960 -0.0224 0.0214 518 ASP 68 CB -0.0050 0.0545 0.0098 519 ASP 68 CG 0.0036 0.0790 0.0657 520 ASP 68 OD1 0.0257 0.0669 0.0767 521 ASP 68 OD2 -0.0121 0.1103 0.0982 522 GLY 69 N 0.0301 -0.0019 0.0009 523 GLY 69 CA 0.0330 -0.0057 0.0030 524 GLY 69 C 0.0284 -0.0153 0.0037 525 GLY 69 O 0.0287 -0.0182 0.0045 526 HIS 70 N 0.0099 -0.0172 -0.0102 527 HIS 70 CA 0.0132 -0.0201 -0.0161 528 HIS 70 C 0.0167 -0.0162 -0.0114 529 HIS 70 O 0.0236 -0.0164 -0.0144 530 HIS 70 CB 0.0048 -0.0256 -0.0213 531 HIS 70 CG 0.0079 -0.0303 -0.0299 532 HIS 70 ND1 0.0093 -0.0304 -0.0306 533 HIS 70 CD2 0.0097 -0.0348 -0.0377 534 HIS 70 CE1 0.0120 -0.0349 -0.0388 535 HIS 70 NE2 0.0124 -0.0378 -0.0434 536 ALA 71 N -0.0016 -0.0065 -0.0047 537 ALA 71 CA -0.0038 -0.0035 -0.0031 538 ALA 71 C -0.0041 -0.0001 -0.0058 539 ALA 71 O -0.0059 0.0026 -0.0047 540 ALA 71 CB -0.0043 -0.0048 -0.0006 541 ASP 72 N -0.0127 -0.0088 -0.0056 542 ASP 72 CA -0.0169 -0.0079 -0.0144 543 ASP 72 C -0.0297 -0.0119 -0.0134 544 ASP 72 O -0.0366 -0.0117 -0.0224 545 ASP 72 CB -0.0088 -0.0058 -0.0135 546 ASP 72 CG 0.0035 -0.0012 -0.0178 547 ASP 72 OD1 0.0066 0.0003 -0.0202 548 ASP 72 OD2 0.0102 0.0009 -0.0185 549 GLU 73 N -0.0759 -0.0068 -0.0166 550 GLU 73 CA -0.0448 0.0155 -0.0227 551 GLU 73 C -0.0100 0.0228 -0.0030 552 GLU 73 O 0.0157 0.0266 0.0139 553 GLU 73 CB -0.0483 0.0394 -0.0618 554 GLU 73 CG -0.0197 0.0634 -0.0727 555 GLU 73 CD -0.0237 0.0869 -0.1115 556 GLU 73 OE1 -0.0492 0.0848 -0.1309 557 GLU 73 OE2 -0.0010 0.1070 -0.1218 558 LEU 74 N -0.0121 0.0190 0.0053 559 LEU 74 CA -0.0073 0.0201 0.0091 560 LEU 74 C -0.0059 0.0171 0.0157 561 LEU 74 O -0.0010 0.0188 0.0188 562 LEU 74 CB -0.0088 0.0196 0.0083 563 LEU 74 CG -0.0042 0.0205 0.0122 564 LEU 74 CD1 0.0015 0.0254 0.0107 565 LEU 74 CD2 -0.0064 0.0195 0.0112 566 LEU 75 N -0.0095 0.0115 0.0118 567 LEU 75 CA -0.0080 0.0069 0.0159 568 LEU 75 C -0.0076 0.0034 0.0191 569 LEU 75 O -0.0050 -0.0004 0.0223 570 LEU 75 CB -0.0128 0.0056 0.0175 571 LEU 75 CG -0.0122 0.0081 0.0152 572 LEU 75 CD1 -0.0180 0.0075 0.0162 573 LEU 75 CD2 -0.0064 0.0065 0.0162 574 ALA 76 N -0.0075 0.0106 0.0373 575 ALA 76 CA 0.0045 0.0107 0.0465 576 ALA 76 C 0.0138 0.0037 0.0423 577 ALA 76 O 0.0236 0.0037 0.0496 578 ALA 76 CB 0.0117 0.0093 0.0496 579 HIS 77 N -0.0148 0.0014 0.0241 580 HIS 77 CA -0.0129 -0.0014 0.0226 581 HIS 77 C -0.0079 -0.0078 0.0186 582 HIS 77 O -0.0029 -0.0066 0.0153 583 HIS 77 CB -0.0102 0.0056 0.0214 584 HIS 77 CG -0.0104 0.0038 0.0214 585 HIS 77 ND1 -0.0059 -0.0011 0.0178 586 HIS 77 CD2 -0.0147 0.0058 0.0245 587 HIS 77 CE1 -0.0075 -0.0020 0.0189 588 HIS 77 NE2 -0.0129 0.0020 0.0229 589 PRO 78 N -0.0255 -0.0336 0.0337 590 PRO 78 CA -0.0187 -0.0457 0.0239 591 PRO 78 C -0.0086 -0.0442 0.0077 592 PRO 78 O -0.0022 -0.0510 -0.0020 593 PRO 78 CB -0.0217 -0.0642 0.0305 594 PRO 78 CG -0.0321 -0.0611 0.0467 595 PRO 78 CD -0.0326 -0.0431 0.0459 596 SER 79 N -0.0024 -0.0192 0.0146 597 SER 79 CA 0.0042 -0.0168 0.0095 598 SER 79 C 0.0084 -0.0113 0.0068 599 SER 79 O 0.0145 -0.0098 0.0021 600 SER 79 CB 0.0041 -0.0119 0.0101 601 SER 79 OG 0.0004 -0.0168 0.0126 602 VAL 80 N 0.0090 -0.0070 0.0134 603 VAL 80 CA 0.0104 -0.0025 0.0116 604 VAL 80 C 0.0128 -0.0064 0.0109 605 VAL 80 O 0.0104 -0.0108 0.0134 606 VAL 80 CB 0.0053 0.0025 0.0139 607 VAL 80 CG1 0.0065 0.0068 0.0122 608 VAL 80 CG2 0.0040 0.0072 0.0137 609 LYS 81 N 0.0084 -0.0093 0.0175 610 LYS 81 CA 0.0095 -0.0095 0.0163 611 LYS 81 C 0.0090 -0.0034 0.0148 612 LYS 81 O 0.0106 -0.0000 0.0117 613 LYS 81 CB 0.0138 -0.0130 0.0124 614 LYS 81 CG 0.0144 -0.0195 0.0139 615 LYS 81 CD 0.0184 -0.0230 0.0104 616 LYS 81 CE 0.0189 -0.0295 0.0121 617 LYS 81 NZ 0.0199 -0.0319 0.0117 618 LEU 82 N 0.0093 -0.0004 0.0164 619 LEU 82 CA 0.0084 0.0010 0.0159 620 LEU 82 C 0.0086 0.0012 0.0154 621 LEU 82 O 0.0086 0.0006 0.0161 622 LEU 82 CB 0.0072 0.0016 0.0172 623 LEU 82 CG 0.0062 0.0031 0.0169 624 LEU 82 CD1 0.0061 0.0041 0.0157 625 LEU 82 CD2 0.0050 0.0034 0.0183 626 TRP 83 N 0.0114 -0.0009 0.0114 627 TRP 83 CA 0.0082 0.0005 0.0110 628 TRP 83 C 0.0066 0.0009 0.0106 629 TRP 83 O 0.0048 -0.0006 0.0088 630 TRP 83 CB 0.0065 -0.0011 0.0092 631 TRP 83 CG 0.0081 -0.0015 0.0096 632 TRP 83 CD1 0.0104 -0.0038 0.0089 633 TRP 83 CD2 0.0077 0.0006 0.0108 634 TRP 83 NE1 0.0113 -0.0033 0.0097 635 TRP 83 CE2 0.0098 -0.0006 0.0109 636 TRP 83 CE3 0.0058 0.0033 0.0119 637 TRP 83 CZ2 0.0099 0.0009 0.0120 638 TRP 83 CZ3 0.0060 0.0048 0.0131 639 TRP 83 CH2 0.0080 0.0036 0.0131 640 GLU 84 N 0.0076 -0.0082 0.0138 641 GLU 84 CA 0.0074 -0.0064 0.0142 642 GLU 84 C 0.0054 -0.0044 0.0125 643 GLU 84 O 0.0045 -0.0034 0.0118 644 GLU 84 CB 0.0089 -0.0046 0.0165 645 GLU 84 CG 0.0087 -0.0024 0.0170 646 GLU 84 CD 0.0097 -0.0001 0.0191 647 GLU 84 OE1 0.0109 -0.0005 0.0203 648 GLU 84 OE2 0.0092 0.0022 0.0192 649 LYS 85 N 0.0084 -0.0115 0.0124 650 LYS 85 CA 0.0081 -0.0062 0.0072 651 LYS 85 C 0.0068 -0.0092 0.0001 652 LYS 85 O 0.0063 -0.0063 -0.0047 653 LYS 85 CB 0.0086 -0.0008 0.0075 654 LYS 85 CG 0.0100 0.0027 0.0144 655 LYS 85 CD 0.0105 0.0095 0.0139 656 LYS 85 CE 0.0114 0.0105 0.0197 657 LYS 85 NZ 0.0109 0.0074 0.0181 658 THR 86 N -0.0012 -0.0045 0.0016 659 THR 86 CA -0.0018 -0.0046 0.0015 660 THR 86 C -0.0017 -0.0045 0.0030 661 THR 86 O -0.0016 -0.0044 0.0042 662 THR 86 CB -0.0033 -0.0049 0.0009 663 THR 86 OG1 -0.0044 -0.0050 0.0020 664 THR 86 CG2 -0.0035 -0.0050 -0.0005 665 ARG 87 N -0.0042 -0.0025 -0.0032 666 ARG 87 CA -0.0039 -0.0015 -0.0051 667 ARG 87 C -0.0042 -0.0067 -0.0086 668 ARG 87 O -0.0041 -0.0089 -0.0125 669 ARG 87 CB -0.0030 0.0041 -0.0090 670 ARG 87 CG -0.0027 0.0072 -0.0085 671 ARG 87 CD -0.0019 0.0099 -0.0142 672 ARG 87 NE -0.0012 0.0151 -0.0155 673 ARG 87 CZ -0.0007 0.0206 -0.0147 674 ARG 87 NH1 -0.0007 0.0220 -0.0121 675 ARG 87 NH2 -0.0000 0.0249 -0.0164 676 LEU 88 N -0.0026 0.0074 -0.0060 677 LEU 88 CA -0.0026 0.0077 -0.0057 678 LEU 88 C -0.0015 0.0080 -0.0055 679 LEU 88 O -0.0010 0.0085 -0.0050 680 LEU 88 CB -0.0035 0.0084 -0.0051 681 LEU 88 CG -0.0036 0.0089 -0.0047 682 LEU 88 CD1 -0.0038 0.0083 -0.0052 683 LEU 88 CD2 -0.0046 0.0095 -0.0042 684 ILE 89 N -0.0063 0.0095 -0.0083 685 ILE 89 CA -0.0030 0.0091 -0.0052 686 ILE 89 C -0.0016 0.0135 -0.0035 687 ILE 89 O 0.0005 0.0144 -0.0015 688 ILE 89 CB -0.0010 0.0062 -0.0037 689 ILE 89 CG1 -0.0023 0.0016 -0.0053 690 ILE 89 CG2 0.0026 0.0058 -0.0004 691 ILE 89 CD1 -0.0025 -0.0009 -0.0058 692 ARG 90 N 0.0004 0.0191 -0.0015 693 ARG 90 CA 0.0007 0.0195 -0.0015 694 ARG 90 C -0.0003 0.0193 -0.0013 695 ARG 90 O -0.0010 0.0185 -0.0014 696 ARG 90 CB 0.0017 0.0189 -0.0019 697 ARG 90 CG 0.0023 0.0193 -0.0019 698 ARG 90 CD 0.0035 0.0188 -0.0024 699 ARG 90 NE 0.0042 0.0193 -0.0024 700 ARG 90 CZ 0.0046 0.0187 -0.0027 701 ARG 90 NH1 0.0045 0.0176 -0.0031 702 ARG 90 NH2 0.0052 0.0192 -0.0027 703 ILE 91 N 0.0003 0.0184 0.0036 704 ILE 91 CA 0.0017 0.0170 0.0038 705 ILE 91 C -0.0004 0.0164 0.0030 706 ILE 91 O -0.0025 0.0156 0.0022 707 ILE 91 CB 0.0032 0.0144 0.0038 708 ILE 91 CG1 0.0053 0.0152 0.0046 709 ILE 91 CG2 0.0045 0.0129 0.0039 710 ILE 91 CD1 0.0065 0.0128 0.0046 711 LYS 92 N 0.0024 0.0168 0.0028 712 LYS 92 CA 0.0030 0.0149 0.0003 713 LYS 92 C 0.0021 0.0124 0.0010 714 LYS 92 O 0.0009 0.0114 0.0034 715 LYS 92 CB 0.0033 0.0135 -0.0011 716 LYS 92 CG 0.0043 0.0157 -0.0023 717 LYS 92 CD 0.0043 0.0140 -0.0033 718 LYS 92 CE 0.0057 0.0146 -0.0063 719 LYS 92 NZ 0.0064 0.0175 -0.0062 720 GLY 93 N -0.0006 0.0132 0.0072 721 GLY 93 CA -0.0004 0.0118 0.0073 722 GLY 93 C -0.0040 0.0113 0.0072 723 GLY 93 O -0.0068 0.0126 0.0070 724 GLU 94 N -0.0010 0.0072 0.0078 725 GLU 94 CA -0.0040 0.0055 0.0070 726 GLU 94 C -0.0052 0.0065 0.0139 727 GLU 94 O -0.0034 0.0085 0.0188 728 GLU 94 CB -0.0101 0.0017 0.0039 729 GLU 94 CG -0.0095 0.0003 -0.0030 730 GLU 94 CD -0.0157 -0.0034 -0.0055 731 GLU 94 OE1 -0.0163 -0.0051 -0.0115 732 GLU 94 OE2 -0.0200 -0.0047 -0.0014 733 GLU 95 N 0.0022 -0.0108 -0.0027 734 GLU 95 CA 0.0003 -0.0023 0.0029 735 GLU 95 C -0.0140 -0.0053 0.0230 736 GLU 95 O -0.0179 0.0097 0.0338 737 GLU 95 CB 0.0064 -0.0140 -0.0101 738 GLU 95 CG 0.0063 -0.0047 -0.0068 739 GLU 95 CD 0.0176 0.0155 -0.0168 740 GLU 95 OE1 0.0288 0.0129 -0.0343 741 GLU 95 OE2 0.0150 0.0336 -0.0071 742 ALA 96 N -0.0117 -0.0023 0.0140 743 ALA 96 CA -0.0101 -0.0028 0.0149 744 ALA 96 C -0.0031 -0.0028 0.0153 745 ALA 96 O -0.0010 -0.0050 0.0185 746 ALA 96 CB -0.0131 0.0000 0.0105 747 GLY 97 N 0.0009 0.0028 0.0150 748 GLY 97 CA 0.0048 0.0014 0.0140 749 GLY 97 C 0.0061 0.0033 0.0120 750 GLY 97 O 0.0039 0.0053 0.0117 751 VAL 98 N 0.0077 0.0030 0.0098 752 VAL 98 CA 0.0087 0.0037 0.0085 753 VAL 98 C 0.0078 0.0039 0.0070 754 VAL 98 O 0.0068 0.0036 0.0073 755 VAL 98 CB 0.0102 0.0039 0.0091 756 VAL 98 CG1 0.0114 0.0047 0.0077 757 VAL 98 CG2 0.0113 0.0038 0.0105 758 THR 99 N 0.0046 0.0035 0.0058 759 THR 99 CA 0.0025 0.0032 0.0018 760 THR 99 C 0.0057 0.0038 -0.0013 761 THR 99 O 0.0043 0.0036 -0.0042 762 THR 99 CB 0.0006 0.0030 -0.0007 763 THR 99 OG1 0.0037 0.0035 -0.0015 764 THR 99 CG2 -0.0030 0.0023 0.0020 765 ALA 100 N 0.0035 0.0061 -0.0034 766 ALA 100 CA 0.0043 0.0072 -0.0037 767 ALA 100 C 0.0057 0.0095 -0.0030 768 ALA 100 O 0.0063 0.0105 -0.0026 769 ALA 100 CB 0.0048 0.0067 -0.0065 770 VAL 101 N -0.0002 0.0087 -0.0053 771 VAL 101 CA 0.0011 0.0093 -0.0051 772 VAL 101 C 0.0014 0.0106 -0.0066 773 VAL 101 O 0.0011 0.0111 -0.0075 774 VAL 101 CB 0.0026 0.0093 -0.0040 775 VAL 101 CG1 0.0024 0.0081 -0.0025 776 VAL 101 CG2 0.0031 0.0099 -0.0044 777 GLU 102 N -0.0037 0.0127 -0.0077 778 GLU 102 CA -0.0039 0.0107 -0.0064 779 GLU 102 C -0.0053 0.0090 -0.0076 780 GLU 102 O -0.0058 0.0087 -0.0083 781 GLU 102 CB -0.0030 0.0104 -0.0046 782 GLU 102 CG -0.0029 0.0084 -0.0029 783 GLU 102 CD -0.0022 0.0081 -0.0013 784 GLU 102 OE1 -0.0014 0.0097 -0.0011 785 GLU 102 OE2 -0.0024 0.0063 -0.0003 786 VAL 103 N -0.0079 -0.0001 -0.0077 787 VAL 103 CA -0.0078 -0.0010 -0.0085 788 VAL 103 C -0.0077 -0.0018 -0.0083 789 VAL 103 O -0.0077 -0.0015 -0.0078 790 VAL 103 CB -0.0079 -0.0006 -0.0097 791 VAL 103 CG1 -0.0080 0.0001 -0.0099 792 VAL 103 CG2 -0.0080 -0.0001 -0.0101 793 ARG 104 N -0.0089 -0.0053 -0.0088 794 ARG 104 CA -0.0055 -0.0084 -0.0116 795 ARG 104 C 0.0025 -0.0150 -0.0193 796 ARG 104 O 0.0064 -0.0214 -0.0179 797 ARG 104 CB -0.0062 -0.0138 -0.0013 798 ARG 104 CG -0.0026 -0.0178 -0.0031 799 ARG 104 CD -0.0018 -0.0251 0.0067 800 ARG 104 NE -0.0092 -0.0197 0.0150 801 ARG 104 CZ -0.0106 -0.0238 0.0250 802 ARG 104 NH1 -0.0055 -0.0334 0.0288 803 ARG 104 NH2 -0.0173 -0.0184 0.0315 804 HIS 105 N 0.0044 -0.0146 -0.0138 805 HIS 105 CA 0.0082 -0.0169 -0.0164 806 HIS 105 C 0.0054 -0.0220 -0.0143 807 HIS 105 O 0.0006 -0.0205 -0.0109 808 HIS 105 CB 0.0100 -0.0106 -0.0180 809 HIS 105 CG 0.0160 -0.0109 -0.0222 810 HIS 105 ND1 0.0201 -0.0086 -0.0252 811 HIS 105 CD2 0.0183 -0.0131 -0.0237 812 HIS 105 CE1 0.0249 -0.0095 -0.0285 813 HIS 105 NE2 0.0240 -0.0122 -0.0278 814 PRO 106 N -0.0022 -0.0220 -0.0096 815 PRO 106 CA -0.0007 -0.0262 -0.0070 816 PRO 106 C 0.0006 -0.0357 -0.0028 817 PRO 106 O -0.0039 -0.0415 -0.0048 818 PRO 106 CB -0.0073 -0.0258 -0.0127 819 PRO 106 CG -0.0101 -0.0177 -0.0176 820 PRO 106 CD -0.0086 -0.0181 -0.0163 821 GLY 107 N -0.0412 -0.0396 -0.0134 822 GLY 107 CA -0.0669 -0.0129 0.0043 823 GLY 107 C -0.0506 -0.0177 0.0205 824 GLY 107 O -0.0731 0.0001 0.0234 825 GLU 108 N -0.0308 0.0002 -0.0131 826 GLU 108 CA -0.0137 -0.0084 0.0026 827 GLU 108 C -0.0117 -0.0131 -0.0184 828 GLU 108 O -0.0130 -0.0103 -0.0063 829 GLU 108 CB 0.0164 -0.0262 0.0133 830 GLU 108 CG 0.0179 -0.0219 0.0461 831 GLU 108 CD 0.0141 -0.0144 0.0769 832 GLU 108 OE1 0.0149 -0.0153 0.0745 833 GLU 108 OE2 0.0109 -0.0080 0.1033 834 SER 109 N 0.0049 -0.0422 -0.0109 835 SER 109 CA 0.0605 -0.0307 -0.0001 836 SER 109 C -0.0400 -0.0437 -0.0071 837 SER 109 O -0.0296 -0.0084 0.0477 838 SER 109 CB 0.1829 -0.0671 -0.0750 839 SER 109 OG 0.2488 -0.0368 -0.0357 840 ASP 110 N 0.0032 -0.0341 -0.0109 841 ASP 110 CA -0.0498 -0.0102 -0.0085 842 ASP 110 C -0.0341 -0.0332 0.0034 843 ASP 110 O 0.0237 -0.0435 -0.0117 844 ASP 110 CB -0.0625 0.0550 -0.0553 845 ASP 110 CG -0.0992 0.0777 -0.0585 846 ASP 110 OD1 -0.1574 0.0694 -0.0283 847 ASP 110 OD2 -0.0704 0.1033 -0.0905 848 SER 111 N -0.0239 -0.0091 0.0019 849 SER 111 CA -0.0259 -0.0020 -0.0030 850 SER 111 C -0.0302 0.0126 -0.0112 851 SER 111 O -0.0328 0.0199 -0.0084 852 SER 111 CB -0.0280 0.0014 0.0105 853 SER 111 OG -0.0243 -0.0114 0.0191 854 GLN 112 N -0.0128 0.0094 -0.0117 855 GLN 112 CA -0.0116 0.0108 -0.0120 856 GLN 112 C -0.0121 0.0076 -0.0114 857 GLN 112 O -0.0110 0.0043 -0.0108 858 GLN 112 CB -0.0074 0.0120 -0.0126 859 GLN 112 CG -0.0065 0.0151 -0.0132 860 GLN 112 CD -0.0023 0.0150 -0.0135 861 GLN 112 OE1 -0.0010 0.0126 -0.0132 862 GLN 112 NE2 -0.0001 0.0178 -0.0142 863 GLU 113 N -0.0043 0.0102 -0.0098 864 GLU 113 CA -0.0032 0.0092 -0.0112 865 GLU 113 C -0.0024 0.0080 -0.0096 866 GLU 113 O -0.0017 0.0070 -0.0080 867 GLU 113 CB -0.0021 0.0082 -0.0129 868 GLU 113 CG -0.0011 0.0074 -0.0147 869 GLU 113 CD -0.0004 0.0069 -0.0169 870 GLU 113 OE1 -0.0013 0.0082 -0.0183 871 GLU 113 OE2 0.0011 0.0054 -0.0173 872 LEU 114 N 0.0048 -0.0004 -0.0080 873 LEU 114 CA 0.0041 -0.0016 -0.0064 874 LEU 114 C 0.0036 -0.0028 -0.0062 875 LEU 114 O 0.0039 -0.0021 -0.0060 876 LEU 114 CB 0.0043 -0.0005 -0.0043 877 LEU 114 CG 0.0046 0.0006 -0.0040 878 LEU 114 CD1 0.0049 0.0020 -0.0022 879 LEU 114 CD2 0.0041 -0.0007 -0.0037 880 LEU 115 N 0.0068 -0.0047 -0.0069 881 LEU 115 CA 0.0060 -0.0090 -0.0069 882 LEU 115 C 0.0063 -0.0096 -0.0018 883 LEU 115 O 0.0067 -0.0090 0.0023 884 LEU 115 CB 0.0049 -0.0139 -0.0080 885 LEU 115 CG 0.0046 -0.0137 -0.0131 886 LEU 115 CD1 0.0039 -0.0174 -0.0129 887 LEU 115 CD2 0.0040 -0.0146 -0.0177 888 ALA 116 N 0.0110 -0.0055 -0.0035 889 ALA 116 CA 0.0101 -0.0046 -0.0010 890 ALA 116 C 0.0091 -0.0035 0.0020 891 ALA 116 O 0.0104 -0.0033 0.0026 892 ALA 116 CB 0.0131 -0.0043 -0.0002 893 GLU 117 N 0.0103 -0.0066 0.0087 894 GLU 117 CA 0.0090 -0.0055 0.0123 895 GLU 117 C 0.0106 -0.0039 0.0161 896 GLU 117 O 0.0109 -0.0028 0.0192 897 GLU 117 CB 0.0041 -0.0059 0.0127 898 GLU 117 CG 0.0023 -0.0073 0.0095 899 GLU 117 CD -0.0023 -0.0081 0.0087 900 GLU 117 OE1 -0.0031 -0.0089 0.0067 901 GLU 117 OE2 -0.0051 -0.0079 0.0103 902 GLY 118 N 0.0135 -0.0043 0.0064 903 GLY 118 CA 0.0140 -0.0025 0.0084 904 GLY 118 C 0.0157 -0.0012 0.0081 905 GLY 118 O 0.0157 -0.0017 0.0072 906 VAL 119 N 0.0154 0.0005 0.0069 907 VAL 119 CA 0.0135 0.0017 0.0073 908 VAL 119 C 0.0129 0.0020 0.0063 909 VAL 119 O 0.0128 0.0017 0.0044 910 VAL 119 CB 0.0122 0.0024 0.0065 911 VAL 119 CG1 0.0103 0.0036 0.0072 912 VAL 119 CG2 0.0130 0.0021 0.0074 913 PHE 120 N 0.0064 -0.0007 -0.0017 914 PHE 120 CA 0.0044 0.0014 -0.0020 915 PHE 120 C 0.0041 0.0006 -0.0020 916 PHE 120 O 0.0031 -0.0019 -0.0021 917 PHE 120 CB 0.0013 0.0014 -0.0024 918 PHE 120 CG 0.0015 0.0026 -0.0024 919 PHE 120 CD1 0.0024 0.0007 -0.0023 920 PHE 120 CD2 0.0006 0.0056 -0.0026 921 PHE 120 CE1 0.0024 0.0018 -0.0023 922 PHE 120 CE2 0.0006 0.0067 -0.0026 923 PHE 120 CZ 0.0016 0.0048 -0.0024 924 VAL 121 N 0.0045 0.0012 -0.0024 925 VAL 121 CA 0.0013 0.0002 -0.0020 926 VAL 121 C -0.0010 -0.0000 -0.0046 927 VAL 121 O -0.0007 0.0005 -0.0075 928 VAL 121 CB 0.0009 0.0001 -0.0019 929 VAL 121 CG1 -0.0025 -0.0010 -0.0012 930 VAL 121 CG2 0.0032 0.0003 0.0006 931 TYR 122 N -0.0056 -0.0050 0.0009 932 TYR 122 CA -0.0061 -0.0070 -0.0022 933 TYR 122 C -0.0062 -0.0115 -0.0017 934 TYR 122 O -0.0065 -0.0135 -0.0037 935 TYR 122 CB -0.0066 -0.0057 -0.0064 936 TYR 122 CG -0.0064 -0.0013 -0.0068 937 TYR 122 CD1 -0.0064 0.0005 -0.0072 938 TYR 122 CD2 -0.0063 0.0012 -0.0067 939 TYR 122 CE1 -0.0062 0.0047 -0.0072 940 TYR 122 CE2 -0.0062 0.0054 -0.0068 941 TYR 122 CZ -0.0061 0.0071 -0.0071 942 TYR 122 OH -0.0059 0.0114 -0.0071 943 LEU 123 N -0.0118 -0.0105 -0.0123 944 LEU 123 CA -0.0141 -0.0092 -0.0121 945 LEU 123 C -0.0153 -0.0093 -0.0140 946 LEU 123 O -0.0151 -0.0102 -0.0160 947 LEU 123 CB -0.0153 -0.0088 -0.0124 948 LEU 123 CG -0.0142 -0.0087 -0.0107 949 LEU 123 CD1 -0.0153 -0.0084 -0.0115 950 LEU 123 CD2 -0.0145 -0.0076 -0.0082 951 GLN 124 N -0.0242 -0.0132 -0.0245 952 GLN 124 CA -0.0091 -0.0192 -0.0066 953 GLN 124 C -0.0119 -0.0155 -0.0126 954 GLN 124 O -0.0167 -0.0010 -0.0312 955 GLN 124 CB 0.0173 -0.0074 0.0020 956 GLN 124 CG 0.0202 -0.0141 0.0111 957 GLN 124 CD 0.0451 -0.0001 0.0162 958 GLN 124 OE1 0.0537 0.0196 0.0029 959 GLN 124 NE2 0.0567 -0.0105 0.0359 960 GLY 125 N 0.0064 0.0069 0.0002 961 GLY 125 CA 0.0117 0.0133 -0.0058 962 GLY 125 C 0.0170 0.0173 0.0086 963 GLY 125 O 0.0177 0.0163 0.0233 964 SER 126 N 0.0091 0.0237 0.0023 965 SER 126 CA 0.0080 -0.0007 -0.0016 966 SER 126 C 0.0004 -0.0205 -0.0030 967 SER 126 O -0.0093 -0.0398 -0.0038 968 SER 126 CB -0.0103 -0.0019 0.0030 969 SER 126 OG -0.0343 0.0027 0.0101 970 LYS 127 N -0.0031 0.0037 0.0027 971 LYS 127 CA -0.0008 0.0059 0.0011 972 LYS 127 C 0.0025 0.0091 -0.0043 973 LYS 127 O 0.0029 0.0095 -0.0066 974 LYS 127 CB 0.0019 0.0085 0.0066 975 LYS 127 CG -0.0009 0.0058 0.0125 976 LYS 127 CD -0.0036 0.0032 0.0123 977 LYS 127 CE -0.0080 -0.0011 0.0158 978 LYS 127 NZ -0.0118 -0.0047 0.0114 979 LYS 127 OXT 0.0049 0.0114 -0.0060