1 PRO 1 N -0.0089 0.0120 0.0019 2 PRO 1 CA -0.0078 0.0121 0.0022 3 PRO 1 C -0.0068 0.0115 0.0015 4 PRO 1 O -0.0069 0.0113 0.0010 5 PRO 1 CB -0.0074 0.0127 0.0034 6 PRO 1 CG -0.0087 0.0131 0.0039 7 PRO 1 CD -0.0095 0.0127 0.0030 8 GLN 2 N -0.0080 0.0100 -0.0003 9 GLN 2 CA -0.0069 0.0089 -0.0000 10 GLN 2 C -0.0059 0.0089 0.0009 11 GLN 2 O -0.0061 0.0092 0.0009 12 GLN 2 CB -0.0070 0.0075 -0.0012 13 GLN 2 CG -0.0057 0.0064 -0.0009 14 GLN 2 CD -0.0060 0.0051 -0.0020 15 GLN 2 OE1 -0.0063 0.0047 -0.0026 16 GLN 2 NE2 -0.0058 0.0044 -0.0024 17 VAL 3 N -0.0061 0.0094 0.0002 18 VAL 3 CA -0.0053 0.0097 0.0009 19 VAL 3 C -0.0043 0.0083 0.0013 20 VAL 3 O -0.0038 0.0076 0.0015 21 VAL 3 CB -0.0049 0.0112 0.0018 22 VAL 3 CG1 -0.0050 0.0117 0.0019 23 VAL 3 CG2 -0.0036 0.0112 0.0029 24 THR 4 N -0.0041 0.0059 0.0001 25 THR 4 CA -0.0033 0.0043 0.0008 26 THR 4 C -0.0023 0.0047 0.0022 27 THR 4 O -0.0024 0.0061 0.0024 28 THR 4 CB -0.0040 0.0029 -0.0003 29 THR 4 OG1 -0.0034 0.0011 0.0001 30 THR 4 CG2 -0.0042 0.0032 -0.0005 31 LEU 5 N -0.0009 0.0022 0.0019 32 LEU 5 CA 0.0004 0.0029 0.0036 33 LEU 5 C 0.0011 0.0023 0.0042 34 LEU 5 O 0.0024 0.0020 0.0055 35 LEU 5 CB 0.0014 0.0020 0.0045 36 LEU 5 CG 0.0015 0.0033 0.0049 37 LEU 5 CD1 0.0007 0.0056 0.0045 38 LEU 5 CD2 0.0012 0.0022 0.0042 39 TRP 6 N 0.0002 0.0022 0.0034 40 TRP 6 CA 0.0007 0.0020 0.0038 41 TRP 6 C 0.0010 0.0039 0.0046 42 TRP 6 O 0.0017 0.0040 0.0052 43 TRP 6 CB -0.0005 0.0013 0.0027 44 TRP 6 CG -0.0008 -0.0006 0.0019 45 TRP 6 CD1 -0.0020 -0.0009 0.0008 46 TRP 6 CD2 -0.0000 -0.0024 0.0021 47 TRP 6 NE1 -0.0020 -0.0028 0.0003 48 TRP 6 CE2 -0.0008 -0.0039 0.0011 49 TRP 6 CE3 0.0012 -0.0031 0.0031 50 TRP 6 CZ2 -0.0002 -0.0059 0.0012 51 TRP 6 CZ3 0.0018 -0.0051 0.0031 52 TRP 6 CH2 0.0011 -0.0065 0.0021 53 GLN 7 N -0.0000 0.0065 0.0028 54 GLN 7 CA 0.0003 0.0085 0.0039 55 GLN 7 C 0.0005 0.0094 0.0044 56 GLN 7 O -0.0001 0.0086 0.0037 57 GLN 7 CB -0.0014 0.0098 0.0033 58 GLN 7 CG -0.0020 0.0091 0.0025 59 GLN 7 CD -0.0039 0.0103 0.0018 60 GLN 7 OE1 -0.0041 0.0115 0.0021 61 GLN 7 NE2 -0.0051 0.0099 0.0007 62 ARG 8 N -0.0008 0.0113 0.0045 63 ARG 8 CA -0.0001 0.0120 0.0049 64 ARG 8 C -0.0010 0.0124 0.0042 65 ARG 8 O -0.0020 0.0130 0.0035 66 ARG 8 CB 0.0006 0.0137 0.0051 67 ARG 8 CG 0.0015 0.0139 0.0057 68 ARG 8 CD 0.0029 0.0136 0.0067 69 ARG 8 NE 0.0030 0.0120 0.0069 70 ARG 8 CZ 0.0041 0.0116 0.0077 71 ARG 8 NH1 0.0052 0.0124 0.0084 72 ARG 8 NH2 0.0040 0.0103 0.0079 73 PRO 9 N -0.0016 0.0131 0.0044 74 PRO 9 CA -0.0033 0.0142 0.0030 75 PRO 9 C -0.0037 0.0167 0.0038 76 PRO 9 O -0.0034 0.0176 0.0045 77 PRO 9 CB -0.0031 0.0129 0.0026 78 PRO 9 CG -0.0013 0.0126 0.0044 79 PRO 9 CD -0.0003 0.0121 0.0053 80 LEU 10 N -0.0051 0.0206 0.0047 81 LEU 10 CA -0.0051 0.0210 0.0048 82 LEU 10 C -0.0062 0.0206 0.0054 83 LEU 10 O -0.0070 0.0205 0.0058 84 LEU 10 CB -0.0050 0.0223 0.0050 85 LEU 10 CG -0.0040 0.0230 0.0046 86 LEU 10 CD1 -0.0041 0.0243 0.0048 87 LEU 10 CD2 -0.0031 0.0225 0.0040 88 VAL 11 N -0.0052 0.0208 0.0057 89 VAL 11 CA -0.0053 0.0200 0.0065 90 VAL 11 C -0.0052 0.0196 0.0063 91 VAL 11 O -0.0050 0.0197 0.0055 92 VAL 11 CB -0.0052 0.0193 0.0065 93 VAL 11 CG1 -0.0050 0.0185 0.0057 94 VAL 11 CG2 -0.0054 0.0189 0.0075 95 THR 12 N -0.0041 0.0192 0.0084 96 THR 12 CA -0.0041 0.0176 0.0082 97 THR 12 C -0.0041 0.0159 0.0078 98 THR 12 O -0.0039 0.0155 0.0086 99 THR 12 CB -0.0037 0.0173 0.0099 100 THR 12 OG1 -0.0037 0.0191 0.0104 101 THR 12 CG2 -0.0037 0.0159 0.0097 102 ILE 13 N -0.0035 0.0148 0.0064 103 ILE 13 CA -0.0032 0.0128 0.0061 104 ILE 13 C -0.0029 0.0111 0.0060 105 ILE 13 O -0.0031 0.0114 0.0053 106 ILE 13 CB -0.0037 0.0128 0.0041 107 ILE 13 CG1 -0.0042 0.0132 0.0023 108 ILE 13 CG2 -0.0039 0.0144 0.0043 109 ILE 13 CD1 -0.0046 0.0129 0.0003 110 LYS 14 N -0.0018 0.0098 0.0068 111 LYS 14 CA -0.0016 0.0062 0.0063 112 LYS 14 C -0.0022 0.0038 0.0037 113 LYS 14 O -0.0020 0.0033 0.0043 114 LYS 14 CB -0.0001 0.0042 0.0098 115 LYS 14 CG 0.0002 0.0005 0.0097 116 LYS 14 CD 0.0017 -0.0013 0.0132 117 LYS 14 CE 0.0022 -0.0048 0.0138 118 LYS 14 NZ 0.0037 -0.0058 0.0176 119 ILE 15 N -0.0016 0.0018 0.0022 120 ILE 15 CA -0.0021 0.0001 0.0003 121 ILE 15 C -0.0020 -0.0024 -0.0007 122 ILE 15 O -0.0025 -0.0021 -0.0016 123 ILE 15 CB -0.0036 0.0016 -0.0022 124 ILE 15 CG1 -0.0042 0.0046 -0.0022 125 ILE 15 CG2 -0.0040 0.0015 -0.0032 126 ILE 15 CD1 -0.0053 0.0044 -0.0044 127 GLY 16 N -0.0008 -0.0067 -0.0008 128 GLY 16 CA -0.0007 -0.0104 -0.0029 129 GLY 16 C 0.0000 -0.0108 -0.0010 130 GLY 16 O -0.0004 -0.0122 -0.0032 131 GLY 17 N -0.0004 -0.0088 0.0024 132 GLY 17 CA 0.0000 -0.0087 0.0040 133 GLY 17 C -0.0006 -0.0059 0.0033 134 GLY 17 O -0.0004 -0.0057 0.0043 135 GLN 18 N -0.0013 -0.0043 0.0016 136 GLN 18 CA -0.0022 -0.0011 0.0009 137 GLN 18 C -0.0023 0.0022 0.0028 138 GLN 18 O -0.0023 0.0024 0.0032 139 GLN 18 CB -0.0037 -0.0007 -0.0031 140 GLN 18 CG -0.0036 -0.0039 -0.0050 141 GLN 18 CD -0.0049 -0.0037 -0.0089 142 GLN 18 OE1 -0.0060 -0.0012 -0.0105 143 GLN 18 NE2 -0.0048 -0.0064 -0.0105 144 LEU 19 N -0.0028 0.0054 0.0040 145 LEU 19 CA -0.0029 0.0082 0.0052 146 LEU 19 C -0.0038 0.0106 0.0028 147 LEU 19 O -0.0041 0.0109 0.0017 148 LEU 19 CB -0.0025 0.0093 0.0078 149 LEU 19 CG -0.0016 0.0069 0.0100 150 LEU 19 CD1 -0.0013 0.0081 0.0121 151 LEU 19 CD2 -0.0011 0.0058 0.0116 152 LYS 20 N -0.0034 0.0106 0.0030 153 LYS 20 CA -0.0051 0.0132 0.0010 154 LYS 20 C -0.0052 0.0163 0.0029 155 LYS 20 O -0.0041 0.0162 0.0055 156 LYS 20 CB -0.0060 0.0130 -0.0015 157 LYS 20 CG -0.0058 0.0099 -0.0034 158 LYS 20 CD -0.0064 0.0088 -0.0055 159 LYS 20 CE -0.0064 0.0059 -0.0077 160 LYS 20 NZ -0.0071 0.0050 -0.0100 161 GLU 21 N -0.0050 0.0181 0.0026 162 GLU 21 CA -0.0052 0.0189 0.0032 163 GLU 21 C -0.0051 0.0190 0.0015 164 GLU 21 O -0.0049 0.0189 -0.0003 165 GLU 21 CB -0.0055 0.0208 0.0044 166 GLU 21 CG -0.0057 0.0226 0.0036 167 GLU 21 CD -0.0060 0.0241 0.0053 168 GLU 21 OE1 -0.0061 0.0238 0.0069 169 GLU 21 OE2 -0.0062 0.0255 0.0049 170 ALA 22 N -0.0046 0.0189 0.0033 171 ALA 22 CA -0.0046 0.0188 0.0022 172 ALA 22 C -0.0048 0.0199 0.0028 173 ALA 22 O -0.0050 0.0204 0.0042 174 ALA 22 CB -0.0042 0.0171 0.0021 175 LEU 23 N -0.0045 0.0209 0.0044 176 LEU 23 CA -0.0043 0.0203 0.0042 177 LEU 23 C -0.0045 0.0198 0.0039 178 LEU 23 O -0.0043 0.0198 0.0039 179 LEU 23 CB -0.0036 0.0203 0.0043 180 LEU 23 CG -0.0032 0.0200 0.0042 181 LEU 23 CD1 -0.0034 0.0201 0.0042 182 LEU 23 CD2 -0.0024 0.0201 0.0044 183 LEU 24 N -0.0043 0.0178 0.0041 184 LEU 24 CA -0.0043 0.0174 0.0041 185 LEU 24 C -0.0040 0.0172 0.0040 186 LEU 24 O -0.0040 0.0171 0.0040 187 LEU 24 CB -0.0046 0.0172 0.0041 188 LEU 24 CG -0.0050 0.0174 0.0041 189 LEU 24 CD1 -0.0053 0.0172 0.0041 190 LEU 24 CD2 -0.0049 0.0174 0.0041 191 ASP 25 N -0.0044 0.0166 0.0039 192 ASP 25 CA -0.0036 0.0159 0.0046 193 ASP 25 C -0.0034 0.0154 0.0047 194 ASP 25 O -0.0032 0.0160 0.0052 195 ASP 25 CB -0.0030 0.0166 0.0056 196 ASP 25 CG -0.0022 0.0159 0.0064 197 ASP 25 OD1 -0.0020 0.0149 0.0064 198 ASP 25 OD2 -0.0017 0.0164 0.0071 199 THR 26 N -0.0015 0.0120 0.0052 200 THR 26 CA -0.0015 0.0114 0.0048 201 THR 26 C -0.0006 0.0112 0.0059 202 THR 26 O -0.0007 0.0112 0.0056 203 THR 26 CB -0.0016 0.0100 0.0035 204 THR 26 OG1 -0.0006 0.0087 0.0038 205 THR 26 CG2 -0.0027 0.0102 0.0023 206 GLY 27 N 0.0013 0.0101 0.0068 207 GLY 27 CA 0.0016 0.0100 0.0074 208 GLY 27 C 0.0009 0.0109 0.0085 209 GLY 27 O 0.0011 0.0110 0.0091 210 ALA 28 N -0.0045 0.0141 0.0050 211 ALA 28 CA -0.0040 0.0156 0.0056 212 ALA 28 C -0.0042 0.0164 0.0054 213 ALA 28 O -0.0049 0.0166 0.0044 214 ALA 28 CB -0.0044 0.0165 0.0051 215 ASP 29 N -0.0056 0.0164 0.0058 216 ASP 29 CA -0.0053 0.0166 0.0059 217 ASP 29 C -0.0055 0.0182 0.0051 218 ASP 29 O -0.0060 0.0184 0.0047 219 ASP 29 CB -0.0036 0.0164 0.0070 220 ASP 29 CG -0.0033 0.0147 0.0080 221 ASP 29 OD1 -0.0043 0.0134 0.0079 222 ASP 29 OD2 -0.0019 0.0146 0.0088 223 ASP 30 N -0.0079 0.0202 -0.0008 224 ASP 30 CA -0.0066 0.0172 -0.0010 225 ASP 30 C -0.0060 0.0164 -0.0007 226 ASP 30 O -0.0070 0.0180 -0.0009 227 ASP 30 CB -0.0081 0.0155 -0.0034 228 ASP 30 CG -0.0083 0.0155 -0.0036 229 ASP 30 OD1 -0.0068 0.0158 -0.0019 230 ASP 30 OD2 -0.0100 0.0151 -0.0056 231 THR 31 N -0.0064 0.0157 -0.0039 232 THR 31 CA -0.0064 0.0154 -0.0044 233 THR 31 C -0.0071 0.0142 -0.0073 234 THR 31 O -0.0062 0.0124 -0.0085 235 THR 31 CB -0.0042 0.0139 -0.0028 236 THR 31 OG1 -0.0036 0.0152 0.0000 237 THR 31 CG2 -0.0038 0.0131 -0.0035 238 VAL 32 N -0.0082 0.0118 -0.0098 239 VAL 32 CA -0.0093 0.0102 -0.0132 240 VAL 32 C -0.0089 0.0097 -0.0130 241 VAL 32 O -0.0093 0.0119 -0.0114 242 VAL 32 CB -0.0120 0.0123 -0.0156 243 VAL 32 CG1 -0.0129 0.0104 -0.0192 244 VAL 32 CG2 -0.0126 0.0137 -0.0151 245 LEU 33 N -0.0095 0.0095 -0.0136 246 LEU 33 CA -0.0087 0.0085 -0.0131 247 LEU 33 C -0.0100 0.0074 -0.0156 248 LEU 33 O -0.0111 0.0064 -0.0176 249 LEU 33 CB -0.0066 0.0061 -0.0116 250 LEU 33 CG -0.0051 0.0070 -0.0090 251 LEU 33 CD1 -0.0032 0.0042 -0.0081 252 LEU 33 CD2 -0.0045 0.0089 -0.0070 253 GLU 34 N -0.0099 0.0074 -0.0171 254 GLU 34 CA -0.0112 0.0062 -0.0193 255 GLU 34 C -0.0102 0.0032 -0.0199 256 GLU 34 O -0.0085 0.0021 -0.0186 257 GLU 34 CB -0.0113 0.0067 -0.0192 258 GLU 34 CG -0.0135 0.0075 -0.0212 259 GLU 34 CD -0.0147 0.0057 -0.0237 260 GLU 34 OE1 -0.0141 0.0033 -0.0243 261 GLU 34 OE2 -0.0164 0.0068 -0.0250 262 GLU 35 N -0.0122 0.0027 -0.0235 263 GLU 35 CA -0.0116 -0.0002 -0.0242 264 GLU 35 C -0.0099 -0.0016 -0.0226 265 GLU 35 O -0.0095 -0.0010 -0.0217 266 GLU 35 CB -0.0130 -0.0011 -0.0265 267 GLU 35 CG -0.0145 -0.0010 -0.0286 268 GLU 35 CD -0.0139 -0.0028 -0.0286 269 GLU 35 OE1 -0.0126 -0.0049 -0.0280 270 GLU 35 OE2 -0.0146 -0.0019 -0.0292 271 MET 36 N -0.0097 -0.0018 -0.0237 272 MET 36 CA -0.0077 -0.0036 -0.0210 273 MET 36 C -0.0067 -0.0072 -0.0217 274 MET 36 O -0.0071 -0.0079 -0.0231 275 MET 36 CB -0.0071 -0.0016 -0.0181 276 MET 36 CG -0.0052 -0.0024 -0.0149 277 MET 36 SD -0.0046 -0.0001 -0.0119 278 MET 36 CE -0.0054 -0.0009 -0.0141 279 SER 37 N -0.0060 -0.0092 -0.0227 280 SER 37 CA -0.0044 -0.0123 -0.0230 281 SER 37 C -0.0031 -0.0129 -0.0203 282 SER 37 O -0.0022 -0.0128 -0.0177 283 SER 37 CB -0.0035 -0.0140 -0.0233 284 SER 37 OG -0.0038 -0.0124 -0.0216 285 LEU 38 N -0.0036 -0.0141 -0.0216 286 LEU 38 CA -0.0015 -0.0158 -0.0186 287 LEU 38 C -0.0005 -0.0203 -0.0208 288 LEU 38 O -0.0019 -0.0211 -0.0246 289 LEU 38 CB -0.0022 -0.0128 -0.0174 290 LEU 38 CG -0.0029 -0.0085 -0.0148 291 LEU 38 CD1 -0.0037 -0.0057 -0.0140 292 LEU 38 CD2 -0.0008 -0.0090 -0.0106 293 PRO 39 N 0.0027 -0.0232 -0.0193 294 PRO 39 CA 0.0045 -0.0276 -0.0212 295 PRO 39 C 0.0044 -0.0270 -0.0207 296 PRO 39 O 0.0040 -0.0238 -0.0177 297 PRO 39 CB 0.0080 -0.0302 -0.0179 298 PRO 39 CG 0.0084 -0.0267 -0.0131 299 PRO 39 CD 0.0049 -0.0225 -0.0146 300 GLY 40 N 0.0065 -0.0314 -0.0233 301 GLY 40 CA 0.0065 -0.0301 -0.0224 302 GLY 40 C 0.0028 -0.0291 -0.0252 303 GLY 40 O 0.0001 -0.0298 -0.0283 304 ARG 41 N 0.0017 -0.0266 -0.0237 305 ARG 41 CA -0.0014 -0.0254 -0.0261 306 ARG 41 C -0.0036 -0.0209 -0.0258 307 ARG 41 O -0.0024 -0.0185 -0.0230 308 ARG 41 CB -0.0003 -0.0257 -0.0251 309 ARG 41 CG 0.0024 -0.0237 -0.0211 310 ARG 41 CD 0.0011 -0.0199 -0.0201 311 ARG 41 NE -0.0015 -0.0161 -0.0206 312 ARG 41 CZ -0.0023 -0.0122 -0.0190 313 ARG 41 NH1 -0.0008 -0.0115 -0.0170 314 ARG 41 NH2 -0.0047 -0.0089 -0.0196 315 TRP 42 N -0.0057 -0.0193 -0.0276 316 TRP 42 CA -0.0079 -0.0156 -0.0271 317 TRP 42 C -0.0107 -0.0148 -0.0293 318 TRP 42 O -0.0115 -0.0172 -0.0318 319 TRP 42 CB -0.0090 -0.0149 -0.0276 320 TRP 42 CG -0.0102 -0.0176 -0.0308 321 TRP 42 CD1 -0.0085 -0.0208 -0.0315 322 TRP 42 CD2 -0.0134 -0.0173 -0.0337 323 TRP 42 NE1 -0.0104 -0.0224 -0.0346 324 TRP 42 CE2 -0.0135 -0.0204 -0.0361 325 TRP 42 CE3 -0.0162 -0.0148 -0.0345 326 TRP 42 CZ2 -0.0164 -0.0207 -0.0392 327 TRP 42 CZ3 -0.0190 -0.0152 -0.0377 328 TRP 42 CH2 -0.0192 -0.0181 -0.0400 329 LYS 43 N -0.0129 -0.0106 -0.0273 330 LYS 43 CA -0.0155 -0.0094 -0.0292 331 LYS 43 C -0.0176 -0.0070 -0.0300 332 LYS 43 O -0.0169 -0.0050 -0.0283 333 LYS 43 CB -0.0149 -0.0073 -0.0276 334 LYS 43 CG -0.0126 -0.0094 -0.0264 335 LYS 43 CD -0.0114 -0.0072 -0.0240 336 LYS 43 CE -0.0090 -0.0092 -0.0227 337 LYS 43 NZ -0.0077 -0.0069 -0.0202 338 PRO 44 N -0.0206 -0.0072 -0.0303 339 PRO 44 CA -0.0234 -0.0050 -0.0311 340 PRO 44 C -0.0246 -0.0009 -0.0297 341 PRO 44 O -0.0251 -0.0001 -0.0295 342 PRO 44 CB -0.0262 -0.0070 -0.0342 343 PRO 44 CG -0.0256 -0.0085 -0.0346 344 PRO 44 CD -0.0217 -0.0097 -0.0325 345 LYS 45 N -0.0237 0.0020 -0.0275 346 LYS 45 CA -0.0246 0.0048 -0.0274 347 LYS 45 C -0.0257 0.0068 -0.0279 348 LYS 45 O -0.0256 0.0060 -0.0281 349 LYS 45 CB -0.0230 0.0060 -0.0254 350 LYS 45 CG -0.0215 0.0079 -0.0233 351 LYS 45 CD -0.0208 0.0098 -0.0221 352 LYS 45 CE -0.0200 0.0124 -0.0203 353 LYS 45 NZ -0.0199 0.0145 -0.0196 354 MET 46 N -0.0282 0.0100 -0.0247 355 MET 46 CA -0.0277 0.0109 -0.0248 356 MET 46 C -0.0258 0.0136 -0.0249 357 MET 46 O -0.0259 0.0154 -0.0255 358 MET 46 CB -0.0305 0.0114 -0.0260 359 MET 46 CG -0.0321 0.0085 -0.0258 360 MET 46 SD -0.0357 0.0089 -0.0273 361 MET 46 CE -0.0371 0.0083 -0.0276 362 ILE 47 N -0.0244 0.0147 -0.0241 363 ILE 47 CA -0.0231 0.0167 -0.0244 364 ILE 47 C -0.0235 0.0169 -0.0245 365 ILE 47 O -0.0244 0.0152 -0.0242 366 ILE 47 CB -0.0204 0.0163 -0.0241 367 ILE 47 CG1 -0.0195 0.0141 -0.0234 368 ILE 47 CG2 -0.0196 0.0166 -0.0241 369 ILE 47 CD1 -0.0169 0.0145 -0.0232 370 GLY 48 N -0.0213 0.0187 -0.0245 371 GLY 48 CA -0.0173 0.0170 -0.0238 372 GLY 48 C -0.0120 0.0158 -0.0252 373 GLY 48 O -0.0112 0.0169 -0.0278 374 GLY 49 N -0.0084 0.0141 -0.0216 375 GLY 49 CA -0.0035 0.0099 -0.0251 376 GLY 49 C 0.0007 0.0052 -0.0235 377 GLY 49 O 0.0000 0.0053 -0.0206 378 ILE 50 N 0.0077 -0.0062 -0.0174 379 ILE 50 CA 0.0061 -0.0096 -0.0151 380 ILE 50 C 0.0054 -0.0112 -0.0140 381 ILE 50 O 0.0063 -0.0114 -0.0164 382 ILE 50 CB 0.0066 -0.0126 -0.0177 383 ILE 50 CG1 0.0063 -0.0119 -0.0168 384 ILE 50 CG2 0.0055 -0.0171 -0.0172 385 ILE 50 CD1 0.0069 -0.0144 -0.0194 386 GLY 51 N 0.0017 -0.0107 -0.0108 387 GLY 51 CA 0.0006 -0.0132 -0.0081 388 GLY 51 C -0.0020 -0.0096 -0.0051 389 GLY 51 O -0.0037 -0.0114 -0.0015 390 GLY 52 N -0.0045 -0.0041 -0.0123 391 GLY 52 CA -0.0100 -0.0014 -0.0087 392 GLY 52 C -0.0134 0.0027 -0.0112 393 GLY 52 O -0.0119 0.0043 -0.0166 394 PHE 53 N -0.0236 0.0034 -0.0160 395 PHE 53 CA -0.0255 0.0071 -0.0175 396 PHE 53 C -0.0254 0.0053 -0.0157 397 PHE 53 O -0.0249 0.0019 -0.0126 398 PHE 53 CB -0.0297 0.0102 -0.0155 399 PHE 53 CG -0.0303 0.0137 -0.0185 400 PHE 53 CD1 -0.0287 0.0129 -0.0196 401 PHE 53 CD2 -0.0324 0.0180 -0.0204 402 PHE 53 CE1 -0.0292 0.0162 -0.0226 403 PHE 53 CE2 -0.0329 0.0213 -0.0233 404 PHE 53 CZ -0.0313 0.0204 -0.0244 405 ILE 54 N -0.0217 0.0100 -0.0221 406 ILE 54 CA -0.0221 0.0089 -0.0204 407 ILE 54 C -0.0240 0.0095 -0.0205 408 ILE 54 O -0.0244 0.0107 -0.0221 409 ILE 54 CB -0.0200 0.0082 -0.0201 410 ILE 54 CG1 -0.0192 0.0091 -0.0218 411 ILE 54 CG2 -0.0181 0.0073 -0.0196 412 ILE 54 CD1 -0.0176 0.0082 -0.0212 413 LYS 55 N -0.0249 0.0042 -0.0266 414 LYS 55 CA -0.0248 0.0042 -0.0266 415 LYS 55 C -0.0225 0.0032 -0.0266 416 LYS 55 O -0.0216 0.0016 -0.0266 417 LYS 55 CB -0.0267 0.0026 -0.0264 418 LYS 55 CG -0.0292 0.0035 -0.0264 419 LYS 55 CD -0.0310 0.0016 -0.0263 420 LYS 55 CE -0.0321 0.0014 -0.0262 421 LYS 55 NZ -0.0303 0.0007 -0.0263 422 VAL 56 N -0.0234 0.0037 -0.0290 423 VAL 56 CA -0.0210 0.0031 -0.0270 424 VAL 56 C -0.0201 0.0010 -0.0267 425 VAL 56 O -0.0212 0.0007 -0.0278 426 VAL 56 CB -0.0203 0.0062 -0.0258 427 VAL 56 CG1 -0.0193 0.0069 -0.0248 428 VAL 56 CG2 -0.0191 0.0071 -0.0245 429 ARG 57 N -0.0183 -0.0011 -0.0280 430 ARG 57 CA -0.0160 -0.0034 -0.0273 431 ARG 57 C -0.0139 -0.0022 -0.0242 432 ARG 57 O -0.0132 -0.0011 -0.0225 433 ARG 57 CB -0.0147 -0.0065 -0.0283 434 ARG 57 CG -0.0170 -0.0073 -0.0314 435 ARG 57 CD -0.0159 -0.0103 -0.0326 436 ARG 57 NE -0.0141 -0.0100 -0.0305 437 ARG 57 CZ -0.0124 -0.0126 -0.0306 438 ARG 57 NH1 -0.0123 -0.0154 -0.0327 439 ARG 57 NH2 -0.0107 -0.0122 -0.0285 440 GLN 58 N -0.0142 -0.0022 -0.0242 441 GLN 58 CA -0.0120 -0.0010 -0.0211 442 GLN 58 C -0.0090 -0.0040 -0.0200 443 GLN 58 O -0.0086 -0.0065 -0.0213 444 GLN 58 CB -0.0130 0.0007 -0.0209 445 GLN 58 CG -0.0107 0.0017 -0.0179 446 GLN 58 CD -0.0117 0.0031 -0.0180 447 GLN 58 OE1 -0.0142 0.0038 -0.0201 448 GLN 58 NE2 -0.0097 0.0035 -0.0156 449 TYR 59 N -0.0072 -0.0030 -0.0174 450 TYR 59 CA -0.0041 -0.0056 -0.0158 451 TYR 59 C -0.0023 -0.0039 -0.0127 452 TYR 59 O -0.0026 -0.0009 -0.0109 453 TYR 59 CB -0.0029 -0.0065 -0.0151 454 TYR 59 CG -0.0040 -0.0090 -0.0180 455 TYR 59 CD1 -0.0067 -0.0077 -0.0202 456 TYR 59 CD2 -0.0020 -0.0127 -0.0184 457 TYR 59 CE1 -0.0075 -0.0100 -0.0226 458 TYR 59 CE2 -0.0028 -0.0150 -0.0208 459 TYR 59 CZ -0.0055 -0.0137 -0.0229 460 TYR 59 OH -0.0061 -0.0160 -0.0251 461 ASP 60 N -0.0008 -0.0053 -0.0123 462 ASP 60 CA 0.0006 -0.0040 -0.0097 463 ASP 60 C 0.0031 -0.0053 -0.0076 464 ASP 60 O 0.0039 -0.0076 -0.0082 465 ASP 60 CB 0.0008 -0.0047 -0.0099 466 ASP 60 CG -0.0016 -0.0028 -0.0115 467 ASP 60 OD1 -0.0035 -0.0023 -0.0134 468 ASP 60 OD2 -0.0016 -0.0018 -0.0108 469 GLN 61 N 0.0032 -0.0037 -0.0052 470 GLN 61 CA 0.0047 -0.0046 -0.0033 471 GLN 61 C 0.0045 -0.0045 -0.0038 472 GLN 61 O 0.0059 -0.0059 -0.0035 473 GLN 61 CB 0.0068 -0.0068 -0.0031 474 GLN 61 CG 0.0085 -0.0076 -0.0006 475 GLN 61 CD 0.0085 -0.0067 0.0019 476 GLN 61 OE1 0.0073 -0.0054 0.0018 477 GLN 61 NE2 0.0100 -0.0074 0.0042 478 ILE 62 N 0.0017 -0.0027 -0.0037 479 ILE 62 CA 0.0021 -0.0028 -0.0032 480 ILE 62 C 0.0027 -0.0014 -0.0011 481 ILE 62 O 0.0023 0.0005 -0.0004 482 ILE 62 CB 0.0008 -0.0026 -0.0051 483 ILE 62 CG1 0.0005 -0.0014 -0.0047 484 ILE 62 CG2 -0.0007 -0.0019 -0.0068 485 ILE 62 CD1 0.0003 -0.0027 -0.0059 486 LEU 63 N 0.0010 -0.0005 0.0003 487 LEU 63 CA 0.0010 0.0002 0.0022 488 LEU 63 C 0.0001 0.0019 0.0019 489 LEU 63 O -0.0002 0.0018 0.0006 490 LEU 63 CB 0.0019 -0.0011 0.0030 491 LEU 63 CG 0.0025 -0.0012 0.0052 492 LEU 63 CD1 0.0028 -0.0018 0.0054 493 LEU 63 CD2 0.0019 0.0005 0.0065 494 ILE 64 N -0.0008 0.0049 0.0037 495 ILE 64 CA -0.0013 0.0064 0.0038 496 ILE 64 C -0.0010 0.0071 0.0057 497 ILE 64 O -0.0007 0.0070 0.0067 498 ILE 64 CB -0.0022 0.0076 0.0027 499 ILE 64 CG1 -0.0029 0.0091 0.0023 500 ILE 64 CG2 -0.0022 0.0083 0.0035 501 ILE 64 CD1 -0.0036 0.0098 0.0007 502 GLU 65 N -0.0018 0.0077 0.0059 503 GLU 65 CA -0.0015 0.0087 0.0077 504 GLU 65 C -0.0023 0.0105 0.0074 505 GLU 65 O -0.0026 0.0108 0.0067 506 GLU 65 CB -0.0009 0.0079 0.0088 507 GLU 65 CG -0.0001 0.0059 0.0090 508 GLU 65 CD 0.0006 0.0049 0.0099 509 GLU 65 OE1 0.0007 0.0057 0.0112 510 GLU 65 OE2 0.0009 0.0033 0.0092 511 ILE 66 N -0.0030 0.0128 0.0078 512 ILE 66 CA -0.0034 0.0142 0.0075 513 ILE 66 C -0.0033 0.0149 0.0089 514 ILE 66 O -0.0031 0.0147 0.0097 515 ILE 66 CB -0.0037 0.0146 0.0069 516 ILE 66 CG1 -0.0037 0.0137 0.0058 517 ILE 66 CG2 -0.0041 0.0160 0.0066 518 ILE 66 CD1 -0.0037 0.0136 0.0056 519 CYS 67 N -0.0039 0.0157 0.0086 520 CYS 67 CA -0.0046 0.0160 0.0098 521 CYS 67 C -0.0046 0.0151 0.0107 522 CYS 67 O -0.0050 0.0148 0.0117 523 CYS 67 CB -0.0050 0.0163 0.0103 524 CYS 67 SG -0.0061 0.0174 0.0113 525 GLY 68 N -0.0031 0.0133 0.0118 526 GLY 68 CA -0.0024 0.0120 0.0132 527 GLY 68 C -0.0024 0.0113 0.0130 528 GLY 68 O -0.0019 0.0100 0.0138 529 HIS 69 N -0.0035 0.0128 0.0103 530 HIS 69 CA -0.0037 0.0120 0.0098 531 HIS 69 C -0.0036 0.0116 0.0094 532 HIS 69 O -0.0033 0.0120 0.0090 533 HIS 69 CB -0.0033 0.0121 0.0092 534 HIS 69 CG -0.0033 0.0126 0.0096 535 HIS 69 ND1 -0.0031 0.0134 0.0101 536 HIS 69 CD2 -0.0033 0.0124 0.0095 537 HIS 69 CE1 -0.0031 0.0136 0.0103 538 HIS 69 NE2 -0.0033 0.0130 0.0099 539 LYS 70 N -0.0001 0.0085 0.0115 540 LYS 70 CA -0.0001 0.0070 0.0097 541 LYS 70 C -0.0004 0.0072 0.0087 542 LYS 70 O -0.0003 0.0076 0.0098 543 LYS 70 CB 0.0007 0.0048 0.0104 544 LYS 70 CG 0.0011 0.0045 0.0115 545 LYS 70 CD 0.0020 0.0024 0.0125 546 LYS 70 CE 0.0024 0.0021 0.0138 547 LYS 70 NZ 0.0020 0.0023 0.0125 548 ALA 71 N 0.0002 0.0070 0.0086 549 ALA 71 CA -0.0002 0.0071 0.0079 550 ALA 71 C -0.0003 0.0057 0.0060 551 ALA 71 O -0.0004 0.0051 0.0052 552 ALA 71 CB -0.0013 0.0092 0.0077 553 ILE 72 N 0.0009 0.0041 0.0068 554 ILE 72 CA 0.0012 0.0025 0.0043 555 ILE 72 C 0.0002 0.0034 0.0031 556 ILE 72 O 0.0002 0.0040 0.0044 557 ILE 72 CB 0.0030 0.0001 0.0047 558 ILE 72 CG1 0.0041 -0.0012 0.0052 559 ILE 72 CG2 0.0033 -0.0014 0.0024 560 ILE 72 CD1 0.0059 -0.0035 0.0056 561 GLY 73 N 0.0006 0.0038 0.0019 562 GLY 73 CA -0.0002 0.0044 0.0006 563 GLY 73 C -0.0009 0.0040 -0.0021 564 GLY 73 O -0.0005 0.0028 -0.0031 565 THR 74 N -0.0011 0.0058 -0.0032 566 THR 74 CA -0.0024 0.0053 -0.0055 567 THR 74 C -0.0031 0.0067 -0.0058 568 THR 74 O -0.0034 0.0089 -0.0050 569 THR 74 CB -0.0038 0.0063 -0.0069 570 THR 74 OG1 -0.0031 0.0052 -0.0066 571 THR 74 CG2 -0.0052 0.0058 -0.0094 572 VAL 75 N -0.0033 0.0044 -0.0082 573 VAL 75 CA -0.0049 0.0058 -0.0093 574 VAL 75 C -0.0064 0.0050 -0.0123 575 VAL 75 O -0.0059 0.0027 -0.0135 576 VAL 75 CB -0.0039 0.0052 -0.0084 577 VAL 75 CG1 -0.0020 0.0053 -0.0054 578 VAL 75 CG2 -0.0036 0.0025 -0.0102 579 LEU 76 N -0.0078 0.0056 -0.0139 580 LEU 76 CA -0.0098 0.0051 -0.0165 581 LEU 76 C -0.0101 0.0046 -0.0171 582 LEU 76 O -0.0096 0.0061 -0.0157 583 LEU 76 CB -0.0118 0.0079 -0.0170 584 LEU 76 CG -0.0124 0.0084 -0.0174 585 LEU 76 CD1 -0.0105 0.0071 -0.0161 586 LEU 76 CD2 -0.0134 0.0116 -0.0168 587 VAL 77 N -0.0114 0.0025 -0.0202 588 VAL 77 CA -0.0117 0.0019 -0.0208 589 VAL 77 C -0.0139 0.0021 -0.0233 590 VAL 77 O -0.0146 0.0012 -0.0248 591 VAL 77 CB -0.0101 -0.0010 -0.0208 592 VAL 77 CG1 -0.0103 -0.0020 -0.0216 593 VAL 77 CG2 -0.0078 -0.0013 -0.0182 594 GLY 78 N -0.0146 0.0034 -0.0232 595 GLY 78 CA -0.0166 0.0038 -0.0252 596 GLY 78 C -0.0170 0.0052 -0.0252 597 GLY 78 O -0.0157 0.0055 -0.0238 598 PRO 79 N -0.0176 0.0054 -0.0243 599 PRO 79 CA -0.0174 0.0065 -0.0241 600 PRO 79 C -0.0167 0.0094 -0.0237 601 PRO 79 O -0.0178 0.0112 -0.0247 602 PRO 79 CB -0.0195 0.0057 -0.0259 603 PRO 79 CG -0.0210 0.0059 -0.0271 604 PRO 79 CD -0.0197 0.0048 -0.0260 605 THR 80 N -0.0160 0.0106 -0.0228 606 THR 80 CA -0.0162 0.0125 -0.0218 607 THR 80 C -0.0163 0.0134 -0.0213 608 THR 80 O -0.0159 0.0124 -0.0212 609 THR 80 CB -0.0154 0.0122 -0.0200 610 THR 80 OG1 -0.0156 0.0140 -0.0188 611 THR 80 CG2 -0.0146 0.0107 -0.0189 612 PRO 81 N -0.0170 0.0149 -0.0216 613 PRO 81 CA -0.0177 0.0164 -0.0210 614 PRO 81 C -0.0185 0.0163 -0.0193 615 PRO 81 O -0.0190 0.0173 -0.0186 616 PRO 81 CB -0.0178 0.0175 -0.0213 617 PRO 81 CG -0.0170 0.0168 -0.0226 618 PRO 81 CD -0.0168 0.0150 -0.0222 619 PHE 82 N -0.0116 0.0178 -0.0147 620 PHE 82 CA -0.0093 0.0181 -0.0105 621 PHE 82 C -0.0092 0.0156 -0.0098 622 PHE 82 O -0.0107 0.0152 -0.0124 623 PHE 82 CB -0.0080 0.0230 -0.0092 624 PHE 82 CG -0.0056 0.0227 -0.0047 625 PHE 82 CD1 -0.0049 0.0213 -0.0032 626 PHE 82 CD2 -0.0040 0.0233 -0.0020 627 PHE 82 CE1 -0.0027 0.0204 0.0010 628 PHE 82 CE2 -0.0018 0.0225 0.0021 629 PHE 82 CZ -0.0012 0.0210 0.0036 630 ASN 83 N -0.0076 0.0173 -0.0079 631 ASN 83 CA -0.0065 0.0154 -0.0069 632 ASN 83 C -0.0067 0.0166 -0.0053 633 ASN 83 O -0.0070 0.0182 -0.0038 634 ASN 83 CB -0.0056 0.0142 -0.0052 635 ASN 83 CG -0.0054 0.0130 -0.0064 636 ASN 83 OD1 -0.0053 0.0116 -0.0083 637 ASN 83 ND2 -0.0054 0.0135 -0.0054 638 VAL 84 N -0.0057 0.0166 -0.0037 639 VAL 84 CA -0.0059 0.0170 -0.0028 640 VAL 84 C -0.0051 0.0165 -0.0022 641 VAL 84 O -0.0046 0.0160 -0.0025 642 VAL 84 CB -0.0065 0.0174 -0.0029 643 VAL 84 CG1 -0.0072 0.0176 -0.0037 644 VAL 84 CG2 -0.0061 0.0171 -0.0029 645 ILE 85 N -0.0053 0.0179 0.0013 646 ILE 85 CA -0.0047 0.0174 0.0020 647 ILE 85 C -0.0049 0.0179 0.0024 648 ILE 85 O -0.0053 0.0188 0.0029 649 ILE 85 CB -0.0043 0.0174 0.0031 650 ILE 85 CG1 -0.0042 0.0172 0.0029 651 ILE 85 CG2 -0.0036 0.0168 0.0037 652 ILE 85 CD1 -0.0036 0.0161 0.0025 653 GLY 86 N -0.0047 0.0183 0.0028 654 GLY 86 CA -0.0047 0.0181 0.0032 655 GLY 86 C -0.0045 0.0179 0.0037 656 GLY 86 O -0.0044 0.0178 0.0038 657 ARG 87 N -0.0042 0.0172 0.0045 658 ARG 87 CA -0.0045 0.0168 0.0044 659 ARG 87 C -0.0044 0.0176 0.0042 660 ARG 87 O -0.0048 0.0175 0.0039 661 ARG 87 CB -0.0041 0.0159 0.0051 662 ARG 87 CG -0.0044 0.0149 0.0052 663 ARG 87 CD -0.0041 0.0140 0.0058 664 ARG 87 NE -0.0032 0.0142 0.0066 665 ARG 87 CZ -0.0027 0.0145 0.0069 666 ARG 87 NH1 -0.0030 0.0145 0.0066 667 ARG 87 NH2 -0.0019 0.0147 0.0076 668 ASN 88 N -0.0052 0.0171 0.0033 669 ASN 88 CA -0.0043 0.0161 0.0035 670 ASN 88 C -0.0040 0.0159 0.0041 671 ASN 88 O -0.0034 0.0153 0.0048 672 ASN 88 CB -0.0038 0.0155 0.0023 673 ASN 88 CG -0.0040 0.0157 0.0014 674 ASN 88 OD1 -0.0047 0.0164 0.0012 675 ASN 88 ND2 -0.0034 0.0149 0.0008 676 LEU 89 N -0.0048 0.0156 0.0031 677 LEU 89 CA -0.0040 0.0151 0.0040 678 LEU 89 C -0.0039 0.0161 0.0051 679 LEU 89 O -0.0031 0.0159 0.0060 680 LEU 89 CB -0.0040 0.0145 0.0033 681 LEU 89 CG -0.0039 0.0133 0.0024 682 LEU 89 CD1 -0.0041 0.0128 0.0017 683 LEU 89 CD2 -0.0030 0.0123 0.0030 684 LEU 90 N -0.0044 0.0166 0.0044 685 LEU 90 CA -0.0047 0.0165 0.0046 686 LEU 90 C -0.0047 0.0163 0.0048 687 LEU 90 O -0.0050 0.0162 0.0049 688 LEU 90 CB -0.0048 0.0165 0.0046 689 LEU 90 CG -0.0048 0.0167 0.0044 690 LEU 90 CD1 -0.0048 0.0167 0.0044 691 LEU 90 CD2 -0.0051 0.0169 0.0043 692 THR 91 N -0.0047 0.0161 0.0050 693 THR 91 CA -0.0047 0.0162 0.0049 694 THR 91 C -0.0047 0.0161 0.0050 695 THR 91 O -0.0046 0.0162 0.0050 696 THR 91 CB -0.0048 0.0162 0.0048 697 THR 91 OG1 -0.0049 0.0161 0.0049 698 THR 91 CG2 -0.0049 0.0163 0.0048 699 GLN 92 N -0.0039 0.0149 0.0067 700 GLN 92 CA -0.0031 0.0143 0.0070 701 GLN 92 C -0.0029 0.0144 0.0074 702 GLN 92 O -0.0023 0.0142 0.0080 703 GLN 92 CB -0.0028 0.0136 0.0061 704 GLN 92 CG -0.0027 0.0133 0.0058 705 GLN 92 CD -0.0023 0.0125 0.0050 706 GLN 92 OE1 -0.0016 0.0120 0.0051 707 GLN 92 NE2 -0.0027 0.0123 0.0042 708 ILE 93 N -0.0048 0.0154 0.0061 709 ILE 93 CA -0.0048 0.0155 0.0063 710 ILE 93 C -0.0047 0.0155 0.0062 711 ILE 93 O -0.0047 0.0156 0.0064 712 ILE 93 CB -0.0047 0.0157 0.0064 713 ILE 93 CG1 -0.0045 0.0158 0.0063 714 ILE 93 CG2 -0.0048 0.0156 0.0065 715 ILE 93 CD1 -0.0044 0.0160 0.0064 716 GLY 94 N -0.0056 0.0158 0.0040 717 GLY 94 CA -0.0057 0.0152 0.0037 718 GLY 94 C -0.0056 0.0144 0.0038 719 GLY 94 O -0.0058 0.0139 0.0035 720 CYS 95 N -0.0062 0.0151 0.0039 721 CYS 95 CA -0.0058 0.0147 0.0040 722 CYS 95 C -0.0054 0.0141 0.0039 723 CYS 95 O -0.0052 0.0141 0.0042 724 CYS 95 CB -0.0055 0.0149 0.0046 725 CYS 95 SG -0.0050 0.0144 0.0048 726 THR 96 N -0.0056 0.0125 0.0024 727 THR 96 CA -0.0048 0.0109 0.0020 728 THR 96 C -0.0035 0.0096 0.0024 729 THR 96 O -0.0034 0.0096 0.0026 730 THR 96 CB -0.0058 0.0104 0.0002 731 THR 96 OG1 -0.0054 0.0098 0.0001 732 THR 96 CG2 -0.0058 0.0091 -0.0010 733 LEU 97 N -0.0023 0.0068 0.0017 734 LEU 97 CA -0.0015 0.0056 0.0020 735 LEU 97 C -0.0016 0.0043 0.0009 736 LEU 97 O -0.0018 0.0041 0.0005 737 LEU 97 CB -0.0006 0.0055 0.0034 738 LEU 97 CG 0.0003 0.0048 0.0043 739 LEU 97 CD1 0.0001 0.0054 0.0044 740 LEU 97 CD2 0.0011 0.0051 0.0056 741 ASN 98 N -0.0017 0.0033 0.0009 742 ASN 98 CA -0.0018 0.0016 -0.0006 743 ASN 98 C -0.0005 -0.0001 -0.0002 744 ASN 98 O -0.0002 -0.0000 0.0003 745 ASN 98 CB -0.0030 0.0016 -0.0025 746 ASN 98 CG -0.0044 0.0035 -0.0029 747 ASN 98 OD1 -0.0050 0.0037 -0.0036 748 ASN 98 ND2 -0.0048 0.0049 -0.0023 749 PHE 99 N -0.0000 -0.0032 -0.0004 750 PHE 99 CA 0.0010 -0.0056 -0.0004 751 PHE 99 C 0.0007 -0.0072 -0.0019 752 PHE 99 O -0.0007 -0.0065 -0.0034 753 PHE 99 CB 0.0028 -0.0060 0.0019 754 PHE 99 CG 0.0036 -0.0059 0.0031 755 PHE 99 CD1 0.0030 -0.0037 0.0036 756 PHE 99 CD2 0.0049 -0.0080 0.0037 757 PHE 99 CE1 0.0037 -0.0036 0.0046 758 PHE 99 CE2 0.0056 -0.0079 0.0048 759 PHE 99 CZ 0.0050 -0.0057 0.0053 760 PRO 1 N 0.0005 -0.0061 -0.0029 761 PRO 1 CA -0.0009 -0.0045 -0.0039 762 PRO 1 C -0.0017 -0.0019 -0.0033 763 PRO 1 O -0.0012 -0.0017 -0.0022 764 PRO 1 CB -0.0001 -0.0044 -0.0025 765 PRO 1 CG 0.0016 -0.0055 -0.0003 766 PRO 1 CD 0.0020 -0.0074 -0.0013 767 GLN 2 N -0.0025 0.0001 -0.0038 768 GLN 2 CA -0.0032 0.0021 -0.0030 769 GLN 2 C -0.0029 0.0031 -0.0014 770 GLN 2 O -0.0028 0.0028 -0.0016 771 GLN 2 CB -0.0047 0.0031 -0.0046 772 GLN 2 CG -0.0055 0.0051 -0.0038 773 GLN 2 CD -0.0070 0.0060 -0.0054 774 GLN 2 OE1 -0.0077 0.0066 -0.0062 775 GLN 2 NE2 -0.0073 0.0060 -0.0060 776 VAL 3 N -0.0026 0.0037 -0.0008 777 VAL 3 CA -0.0018 0.0046 0.0007 778 VAL 3 C -0.0028 0.0069 0.0011 779 VAL 3 O -0.0031 0.0078 0.0013 780 VAL 3 CB -0.0001 0.0040 0.0023 781 VAL 3 CG1 0.0010 0.0045 0.0038 782 VAL 3 CG2 0.0007 0.0018 0.0017 783 THR 4 N -0.0039 0.0089 0.0011 784 THR 4 CA -0.0044 0.0103 0.0014 785 THR 4 C -0.0039 0.0107 0.0029 786 THR 4 O -0.0033 0.0100 0.0035 787 THR 4 CB -0.0051 0.0111 0.0007 788 THR 4 OG1 -0.0049 0.0109 0.0010 789 THR 4 CG2 -0.0056 0.0108 -0.0008 790 LEU 5 N -0.0044 0.0123 0.0030 791 LEU 5 CA -0.0038 0.0126 0.0042 792 LEU 5 C -0.0039 0.0134 0.0047 793 LEU 5 O -0.0037 0.0141 0.0055 794 LEU 5 CB -0.0038 0.0131 0.0046 795 LEU 5 CG -0.0035 0.0123 0.0042 796 LEU 5 CD1 -0.0038 0.0129 0.0044 797 LEU 5 CD2 -0.0026 0.0114 0.0048 798 TRP 6 N -0.0042 0.0140 0.0041 799 TRP 6 CA -0.0043 0.0148 0.0047 800 TRP 6 C -0.0037 0.0144 0.0056 801 TRP 6 O -0.0036 0.0150 0.0064 802 TRP 6 CB -0.0046 0.0150 0.0040 803 TRP 6 CG -0.0052 0.0155 0.0031 804 TRP 6 CD1 -0.0054 0.0150 0.0021 805 TRP 6 CD2 -0.0055 0.0166 0.0031 806 TRP 6 NE1 -0.0059 0.0157 0.0015 807 TRP 6 CE2 -0.0060 0.0167 0.0020 808 TRP 6 CE3 -0.0055 0.0175 0.0038 809 TRP 6 CZ2 -0.0064 0.0178 0.0018 810 TRP 6 CZ3 -0.0059 0.0186 0.0036 811 TRP 6 CH2 -0.0064 0.0187 0.0026 812 GLN 7 N -0.0026 0.0120 0.0047 813 GLN 7 CA -0.0018 0.0114 0.0057 814 GLN 7 C -0.0012 0.0108 0.0062 815 GLN 7 O -0.0014 0.0105 0.0056 816 GLN 7 CB -0.0016 0.0104 0.0052 817 GLN 7 CG -0.0018 0.0095 0.0040 818 GLN 7 CD -0.0026 0.0098 0.0028 819 GLN 7 OE1 -0.0028 0.0097 0.0024 820 GLN 7 NE2 -0.0032 0.0102 0.0022 821 ARG 8 N 0.0011 0.0085 0.0072 822 ARG 8 CA 0.0015 0.0076 0.0075 823 ARG 8 C 0.0016 0.0064 0.0068 824 ARG 8 O 0.0017 0.0061 0.0067 825 ARG 8 CB 0.0020 0.0073 0.0088 826 ARG 8 CG 0.0020 0.0083 0.0098 827 ARG 8 CD 0.0025 0.0079 0.0110 828 ARG 8 NE 0.0025 0.0088 0.0119 829 ARG 8 CZ 0.0028 0.0085 0.0127 830 ARG 8 NH1 0.0031 0.0075 0.0126 831 ARG 8 NH2 0.0028 0.0093 0.0137 832 PRO 9 N 0.0025 0.0060 0.0070 833 PRO 9 CA 0.0027 0.0033 0.0051 834 PRO 9 C 0.0048 0.0010 0.0065 835 PRO 9 O 0.0058 0.0003 0.0074 836 PRO 9 CB 0.0016 0.0038 0.0039 837 PRO 9 CG 0.0021 0.0057 0.0062 838 PRO 9 CD 0.0022 0.0075 0.0078 839 LEU 10 N 0.0084 -0.0028 0.0085 840 LEU 10 CA 0.0092 -0.0040 0.0092 841 LEU 10 C 0.0086 -0.0056 0.0087 842 LEU 10 O 0.0079 -0.0060 0.0081 843 LEU 10 CB 0.0102 -0.0041 0.0102 844 LEU 10 CG 0.0109 -0.0026 0.0108 845 LEU 10 CD1 0.0118 -0.0027 0.0116 846 LEU 10 CD2 0.0116 -0.0023 0.0114 847 VAL 11 N 0.0099 -0.0070 0.0106 848 VAL 11 CA 0.0097 -0.0086 0.0102 849 VAL 11 C 0.0108 -0.0096 0.0111 850 VAL 11 O 0.0117 -0.0090 0.0120 851 VAL 11 CB 0.0090 -0.0088 0.0095 852 VAL 11 CG1 0.0078 -0.0082 0.0085 853 VAL 11 CG2 0.0095 -0.0082 0.0101 854 THR 12 N 0.0113 -0.0103 0.0125 855 THR 12 CA 0.0118 -0.0111 0.0132 856 THR 12 C 0.0114 -0.0116 0.0129 857 THR 12 O 0.0106 -0.0118 0.0122 858 THR 12 CB 0.0119 -0.0120 0.0135 859 THR 12 OG1 0.0122 -0.0116 0.0137 860 THR 12 CG2 0.0124 -0.0128 0.0142 861 ILE 13 N 0.0126 -0.0112 0.0135 862 ILE 13 CA 0.0121 -0.0114 0.0133 863 ILE 13 C 0.0122 -0.0119 0.0138 864 ILE 13 O 0.0127 -0.0119 0.0142 865 ILE 13 CB 0.0121 -0.0110 0.0129 866 ILE 13 CG1 0.0126 -0.0108 0.0131 867 ILE 13 CG2 0.0121 -0.0105 0.0124 868 ILE 13 CD1 0.0126 -0.0103 0.0127 869 LYS 14 N 0.0139 -0.0118 0.0140 870 LYS 14 CA 0.0128 -0.0116 0.0145 871 LYS 14 C 0.0117 -0.0116 0.0134 872 LYS 14 O 0.0113 -0.0116 0.0129 873 LYS 14 CB 0.0122 -0.0113 0.0158 874 LYS 14 CG 0.0111 -0.0111 0.0164 875 LYS 14 CD 0.0106 -0.0109 0.0179 876 LYS 14 CE 0.0094 -0.0107 0.0182 877 LYS 14 NZ 0.0091 -0.0104 0.0197 878 ILE 15 N 0.0115 -0.0098 0.0140 879 ILE 15 CA 0.0111 -0.0094 0.0133 880 ILE 15 C 0.0107 -0.0090 0.0128 881 ILE 15 O 0.0109 -0.0093 0.0124 882 ILE 15 CB 0.0114 -0.0099 0.0127 883 ILE 15 CG1 0.0109 -0.0094 0.0120 884 ILE 15 CG2 0.0119 -0.0105 0.0121 885 ILE 15 CD1 0.0111 -0.0097 0.0113 886 GLY 16 N 0.0082 -0.0070 0.0133 887 GLY 16 CA 0.0062 -0.0058 0.0121 888 GLY 16 C 0.0065 -0.0057 0.0137 889 GLY 16 O 0.0063 -0.0058 0.0123 890 GLY 17 N 0.0067 -0.0075 0.0150 891 GLY 17 CA 0.0073 -0.0087 0.0159 892 GLY 17 C 0.0088 -0.0097 0.0158 893 GLY 17 O 0.0093 -0.0107 0.0164 894 GLN 18 N 0.0087 -0.0089 0.0146 895 GLN 18 CA 0.0101 -0.0100 0.0143 896 GLN 18 C 0.0115 -0.0109 0.0151 897 GLN 18 O 0.0115 -0.0109 0.0151 898 GLN 18 CB 0.0100 -0.0105 0.0122 899 GLN 18 CG 0.0086 -0.0096 0.0113 900 GLN 18 CD 0.0083 -0.0098 0.0093 901 GLN 18 OE1 0.0092 -0.0107 0.0083 902 GLN 18 NE2 0.0071 -0.0091 0.0086 903 LEU 19 N 0.0125 -0.0119 0.0155 904 LEU 19 CA 0.0129 -0.0122 0.0157 905 LEU 19 C 0.0138 -0.0121 0.0150 906 LEU 19 O 0.0144 -0.0122 0.0147 907 LEU 19 CB 0.0132 -0.0128 0.0166 908 LEU 19 CG 0.0125 -0.0129 0.0174 909 LEU 19 CD1 0.0130 -0.0136 0.0182 910 LEU 19 CD2 0.0116 -0.0127 0.0175 911 LYS 20 N 0.0117 -0.0100 0.0148 912 LYS 20 CA 0.0123 -0.0109 0.0140 913 LYS 20 C 0.0134 -0.0114 0.0145 914 LYS 20 O 0.0136 -0.0111 0.0154 915 LYS 20 CB 0.0119 -0.0111 0.0129 916 LYS 20 CG 0.0108 -0.0106 0.0123 917 LYS 20 CD 0.0105 -0.0107 0.0117 918 LYS 20 CE 0.0094 -0.0104 0.0109 919 LYS 20 NZ 0.0091 -0.0104 0.0103 920 GLU 21 N 0.0135 -0.0098 0.0145 921 GLU 21 CA 0.0132 -0.0093 0.0138 922 GLU 21 C 0.0130 -0.0083 0.0129 923 GLU 21 O 0.0136 -0.0079 0.0129 924 GLU 21 CB 0.0142 -0.0089 0.0141 925 GLU 21 CG 0.0139 -0.0098 0.0147 926 GLU 21 CD 0.0149 -0.0094 0.0150 927 GLU 21 OE1 0.0159 -0.0093 0.0155 928 GLU 21 OE2 0.0147 -0.0093 0.0148 929 ALA 22 N 0.0128 -0.0078 0.0124 930 ALA 22 CA 0.0127 -0.0072 0.0121 931 ALA 22 C 0.0122 -0.0063 0.0114 932 ALA 22 O 0.0119 -0.0064 0.0109 933 ALA 22 CB 0.0124 -0.0080 0.0119 934 LEU 23 N 0.0109 -0.0049 0.0098 935 LEU 23 CA 0.0097 -0.0036 0.0091 936 LEU 23 C 0.0096 -0.0040 0.0083 937 LEU 23 O 0.0103 -0.0046 0.0089 938 LEU 23 CB 0.0097 -0.0021 0.0105 939 LEU 23 CG 0.0086 -0.0003 0.0103 940 LEU 23 CD1 0.0079 -0.0000 0.0095 941 LEU 23 CD2 0.0089 0.0008 0.0120 942 LEU 24 N 0.0074 -0.0023 0.0079 943 LEU 24 CA 0.0069 -0.0023 0.0072 944 LEU 24 C 0.0067 -0.0011 0.0072 945 LEU 24 O 0.0064 -0.0002 0.0071 946 LEU 24 CB 0.0062 -0.0026 0.0061 947 LEU 24 CG 0.0063 -0.0038 0.0059 948 LEU 24 CD1 0.0055 -0.0038 0.0049 949 LEU 24 CD2 0.0066 -0.0049 0.0060 950 ASP 25 N 0.0063 -0.0010 0.0065 951 ASP 25 CA 0.0061 0.0008 0.0073 952 ASP 25 C 0.0055 0.0013 0.0071 953 ASP 25 O 0.0064 0.0010 0.0077 954 ASP 25 CB 0.0077 0.0009 0.0088 955 ASP 25 CG 0.0077 0.0027 0.0099 956 ASP 25 OD1 0.0066 0.0039 0.0096 957 ASP 25 OD2 0.0088 0.0030 0.0110 958 THR 26 N 0.0030 0.0058 0.0060 959 THR 26 CA 0.0022 0.0063 0.0053 960 THR 26 C 0.0026 0.0077 0.0064 961 THR 26 O 0.0023 0.0080 0.0061 962 THR 26 CB 0.0006 0.0069 0.0038 963 THR 26 OG1 0.0002 0.0086 0.0041 964 THR 26 CG2 0.0002 0.0053 0.0026 965 GLY 27 N 0.0030 0.0093 0.0064 966 GLY 27 CA 0.0034 0.0108 0.0077 967 GLY 27 C 0.0049 0.0089 0.0097 968 GLY 27 O 0.0055 0.0100 0.0110 969 ALA 28 N 0.0078 0.0026 0.0109 970 ALA 28 CA 0.0102 0.0015 0.0126 971 ALA 28 C 0.0108 -0.0003 0.0118 972 ALA 28 O 0.0103 -0.0021 0.0099 973 ALA 28 CB 0.0115 -0.0001 0.0128 974 ASP 29 N 0.0122 -0.0015 0.0137 975 ASP 29 CA 0.0121 -0.0036 0.0126 976 ASP 29 C 0.0136 -0.0071 0.0128 977 ASP 29 O 0.0129 -0.0094 0.0109 978 ASP 29 CB 0.0129 -0.0026 0.0140 979 ASP 29 CG 0.0115 0.0008 0.0138 980 ASP 29 OD1 0.0094 0.0019 0.0118 981 ASP 29 OD2 0.0124 0.0024 0.0156 982 ASP 30 N 0.0179 -0.0124 0.0141 983 ASP 30 CA 0.0178 -0.0126 0.0142 984 ASP 30 C 0.0167 -0.0106 0.0139 985 ASP 30 O 0.0156 -0.0094 0.0141 986 ASP 30 CB 0.0170 -0.0139 0.0161 987 ASP 30 CG 0.0181 -0.0161 0.0164 988 ASP 30 OD1 0.0197 -0.0166 0.0152 989 ASP 30 OD2 0.0174 -0.0172 0.0180 990 THR 31 N 0.0164 -0.0110 0.0131 991 THR 31 CA 0.0161 -0.0108 0.0127 992 THR 31 C 0.0157 -0.0108 0.0124 993 THR 31 O 0.0157 -0.0107 0.0123 994 THR 31 CB 0.0164 -0.0102 0.0126 995 THR 31 OG1 0.0168 -0.0102 0.0129 996 THR 31 CG2 0.0162 -0.0098 0.0121 997 VAL 32 N 0.0129 -0.0114 0.0087 998 VAL 32 CA 0.0108 -0.0115 0.0074 999 VAL 32 C 0.0104 -0.0104 0.0078 1000 VAL 32 O 0.0117 -0.0106 0.0085 1001 VAL 32 CB 0.0107 -0.0139 0.0060 1002 VAL 32 CG1 0.0126 -0.0154 0.0063 1003 VAL 32 CG2 0.0086 -0.0143 0.0046 1004 LEU 33 N 0.0097 -0.0123 0.0078 1005 LEU 33 CA 0.0091 -0.0110 0.0077 1006 LEU 33 C 0.0073 -0.0114 0.0066 1007 LEU 33 O 0.0064 -0.0122 0.0059 1008 LEU 33 CB 0.0090 -0.0090 0.0082 1009 LEU 33 CG 0.0107 -0.0084 0.0093 1010 LEU 33 CD1 0.0103 -0.0066 0.0095 1011 LEU 33 CD2 0.0121 -0.0081 0.0101 1012 GLU 34 N 0.0057 -0.0100 0.0059 1013 GLU 34 CA 0.0045 -0.0100 0.0056 1014 GLU 34 C 0.0027 -0.0096 0.0056 1015 GLU 34 O 0.0024 -0.0090 0.0061 1016 GLU 34 CB 0.0049 -0.0091 0.0064 1017 GLU 34 CG 0.0067 -0.0094 0.0065 1018 GLU 34 CD 0.0074 -0.0082 0.0075 1019 GLU 34 OE1 0.0067 -0.0071 0.0084 1020 GLU 34 OE2 0.0088 -0.0085 0.0076 1021 GLU 35 N 0.0009 -0.0118 0.0037 1022 GLU 35 CA -0.0005 -0.0108 0.0035 1023 GLU 35 C -0.0007 -0.0084 0.0039 1024 GLU 35 O -0.0007 -0.0075 0.0040 1025 GLU 35 CB -0.0027 -0.0117 0.0026 1026 GLU 35 CG -0.0027 -0.0142 0.0021 1027 GLU 35 CD -0.0029 -0.0153 0.0018 1028 GLU 35 OE1 -0.0020 -0.0147 0.0022 1029 GLU 35 OE2 -0.0040 -0.0169 0.0011 1030 MET 36 N 0.0039 -0.0110 0.0014 1031 MET 36 CA 0.0039 -0.0091 0.0015 1032 MET 36 C 0.0034 -0.0073 0.0012 1033 MET 36 O 0.0033 -0.0077 0.0010 1034 MET 36 CB 0.0052 -0.0088 0.0035 1035 MET 36 CG 0.0062 -0.0089 0.0047 1036 MET 36 SD 0.0077 -0.0082 0.0069 1037 MET 36 CE 0.0072 -0.0058 0.0066 1038 SER 37 N 0.0065 -0.0070 -0.0020 1039 SER 37 CA 0.0068 -0.0044 -0.0022 1040 SER 37 C 0.0061 -0.0034 -0.0001 1041 SER 37 O 0.0057 -0.0044 0.0007 1042 SER 37 CB 0.0075 -0.0042 -0.0043 1043 SER 37 OG 0.0082 -0.0051 -0.0062 1044 LEU 38 N 0.0057 -0.0022 -0.0029 1045 LEU 38 CA 0.0045 0.0006 0.0011 1046 LEU 38 C 0.0024 0.0053 -0.0009 1047 LEU 38 O 0.0020 0.0058 -0.0052 1048 LEU 38 CB 0.0053 -0.0009 0.0027 1049 LEU 38 CG 0.0071 -0.0048 0.0062 1050 LEU 38 CD1 0.0082 -0.0070 0.0065 1051 LEU 38 CD2 0.0066 -0.0033 0.0113 1052 PRO 39 N 0.0009 0.0068 -0.0001 1053 PRO 39 CA 0.0001 0.0192 -0.0038 1054 PRO 39 C -0.0018 0.0266 0.0002 1055 PRO 39 O -0.0036 0.0252 0.0097 1056 PRO 39 CB -0.0018 0.0229 0.0025 1057 PRO 39 CG -0.0034 0.0160 0.0143 1058 PRO 39 CD -0.0010 0.0041 0.0106 1059 GLY 40 N -0.0047 0.0517 -0.0150 1060 GLY 40 CA -0.0062 0.0616 -0.0089 1061 GLY 40 C -0.0059 0.0576 -0.0185 1062 GLY 40 O -0.0055 0.0515 -0.0331 1063 ARG 41 N -0.0111 0.0830 -0.0027 1064 ARG 41 CA -0.0200 0.0497 -0.0181 1065 ARG 41 C 0.0007 0.0016 -0.0019 1066 ARG 41 O 0.0272 0.0003 0.0285 1067 ARG 41 CB -0.0132 0.0706 -0.0070 1068 ARG 41 CG 0.0044 0.1176 0.0207 1069 ARG 41 CD -0.0167 0.1676 0.0041 1070 ARG 41 NE 0.0015 0.2012 0.0304 1071 ARG 41 CZ -0.0133 0.2340 0.0185 1072 ARG 41 NH1 -0.0456 0.2446 -0.0172 1073 ARG 41 NH2 0.0054 0.2559 0.0435 1074 TRP 42 N -0.0014 0.0076 -0.0054 1075 TRP 42 CA -0.0001 0.0015 -0.0033 1076 TRP 42 C -0.0010 -0.0042 -0.0028 1077 TRP 42 O -0.0035 -0.0033 -0.0048 1078 TRP 42 CB -0.0041 0.0001 -0.0059 1079 TRP 42 CG -0.0103 -0.0006 -0.0102 1080 TRP 42 CD1 -0.0138 0.0048 -0.0137 1081 TRP 42 CD2 -0.0140 -0.0064 -0.0117 1082 TRP 42 NE1 -0.0193 0.0027 -0.0172 1083 TRP 42 CE2 -0.0197 -0.0042 -0.0162 1084 TRP 42 CE3 -0.0134 -0.0133 -0.0099 1085 TRP 42 CZ2 -0.0244 -0.0091 -0.0185 1086 TRP 42 CZ3 -0.0181 -0.0180 -0.0123 1087 TRP 42 CH2 -0.0236 -0.0159 -0.0166 1088 LYS 43 N 0.0012 -0.0101 -0.0000 1089 LYS 43 CA -0.0008 -0.0159 -0.0014 1090 LYS 43 C -0.0013 -0.0227 -0.0016 1091 LYS 43 O 0.0013 -0.0232 0.0004 1092 LYS 43 CB 0.0031 -0.0164 0.0016 1093 LYS 43 CG 0.0091 -0.0174 0.0061 1094 LYS 43 CD 0.0123 -0.0179 0.0085 1095 LYS 43 CE 0.0129 -0.0110 0.0089 1096 LYS 43 NZ 0.0186 -0.0082 0.0131 1097 PRO 44 N -0.0062 -0.0284 -0.0038 1098 PRO 44 CA -0.0063 -0.0324 -0.0041 1099 PRO 44 C -0.0011 -0.0363 -0.0025 1100 PRO 44 O 0.0016 -0.0376 -0.0017 1101 PRO 44 CB -0.0117 -0.0359 -0.0062 1102 PRO 44 CG -0.0124 -0.0361 -0.0065 1103 PRO 44 CD -0.0102 -0.0302 -0.0053 1104 LYS 45 N 0.0015 -0.0334 -0.0039 1105 LYS 45 CA 0.0042 -0.0362 -0.0020 1106 LYS 45 C 0.0028 -0.0391 -0.0030 1107 LYS 45 O 0.0002 -0.0383 -0.0049 1108 LYS 45 CB 0.0072 -0.0341 0.0001 1109 LYS 45 CG 0.0105 -0.0359 0.0024 1110 LYS 45 CD 0.0135 -0.0353 0.0045 1111 LYS 45 CE 0.0168 -0.0366 0.0068 1112 LYS 45 NZ 0.0193 -0.0374 0.0086 1113 MET 46 N 0.0073 -0.0476 -0.0061 1114 MET 46 CA 0.0057 -0.0481 -0.0058 1115 MET 46 C 0.0117 -0.0473 -0.0070 1116 MET 46 O 0.0162 -0.0500 -0.0081 1117 MET 46 CB 0.0032 -0.0546 -0.0057 1118 MET 46 CG 0.0017 -0.0567 -0.0055 1119 MET 46 SD -0.0048 -0.0618 -0.0044 1120 MET 46 CE -0.0105 -0.0558 -0.0029 1121 ILE 47 N 0.0082 -0.0381 -0.0107 1122 ILE 47 CA 0.0122 -0.0380 -0.0094 1123 ILE 47 C 0.0129 -0.0407 -0.0101 1124 ILE 47 O 0.0104 -0.0410 -0.0110 1125 ILE 47 CB 0.0124 -0.0337 -0.0078 1126 ILE 47 CG1 0.0134 -0.0313 -0.0067 1127 ILE 47 CG2 0.0152 -0.0328 -0.0066 1128 ILE 47 CD1 0.0173 -0.0327 -0.0060 1129 GLY 48 N 0.0207 -0.0410 -0.0170 1130 GLY 48 CA 0.0166 -0.0358 -0.0152 1131 GLY 48 C 0.0160 -0.0286 -0.0210 1132 GLY 48 O 0.0197 -0.0283 -0.0274 1133 GLY 49 N 0.0131 -0.0243 -0.0209 1134 GLY 49 CA 0.0118 -0.0183 -0.0247 1135 GLY 49 C 0.0096 -0.0129 -0.0222 1136 GLY 49 O 0.0091 -0.0139 -0.0180 1137 ILE 50 N -0.0008 -0.0002 -0.0243 1138 ILE 50 CA -0.0042 0.0036 -0.0215 1139 ILE 50 C -0.0035 0.0038 -0.0181 1140 ILE 50 O -0.0026 0.0025 -0.0199 1141 ILE 50 CB -0.0080 0.0060 -0.0255 1142 ILE 50 CG1 -0.0097 0.0073 -0.0268 1143 ILE 50 CG2 -0.0112 0.0095 -0.0237 1144 ILE 50 CD1 -0.0134 0.0097 -0.0308 1145 GLY 51 N -0.0039 -0.0010 -0.0173 1146 GLY 51 CA -0.0057 -0.0006 -0.0133 1147 GLY 51 C -0.0018 -0.0050 -0.0086 1148 GLY 51 O -0.0035 -0.0052 -0.0033 1149 GLY 52 N 0.0038 -0.0115 -0.0087 1150 GLY 52 CA 0.0037 -0.0182 -0.0048 1151 GLY 52 C 0.0062 -0.0233 -0.0075 1152 GLY 52 O 0.0087 -0.0228 -0.0133 1153 PHE 53 N 0.0014 -0.0372 -0.0050 1154 PHE 53 CA 0.0038 -0.0393 -0.0063 1155 PHE 53 C -0.0022 -0.0353 -0.0031 1156 PHE 53 O -0.0089 -0.0344 0.0006 1157 PHE 53 CB 0.0044 -0.0496 -0.0062 1158 PHE 53 CG -0.0028 -0.0545 -0.0020 1159 PHE 53 CD1 -0.0032 -0.0571 -0.0017 1160 PHE 53 CD2 -0.0089 -0.0567 0.0015 1161 PHE 53 CE1 -0.0098 -0.0620 0.0022 1162 PHE 53 CE2 -0.0155 -0.0616 0.0053 1163 PHE 53 CZ -0.0159 -0.0642 0.0057 1164 ILE 54 N 0.0019 -0.0370 -0.0055 1165 ILE 54 CA -0.0008 -0.0359 -0.0032 1166 ILE 54 C -0.0008 -0.0391 -0.0035 1167 ILE 54 O 0.0018 -0.0409 -0.0058 1168 ILE 54 CB -0.0001 -0.0312 -0.0032 1169 ILE 54 CG1 0.0032 -0.0301 -0.0058 1170 ILE 54 CG2 -0.0006 -0.0278 -0.0024 1171 ILE 54 CD1 0.0034 -0.0254 -0.0053 1172 LYS 55 N -0.0043 -0.0401 -0.0047 1173 LYS 55 CA -0.0052 -0.0395 -0.0045 1174 LYS 55 C -0.0047 -0.0338 -0.0028 1175 LYS 55 O -0.0065 -0.0305 -0.0018 1176 LYS 55 CB -0.0109 -0.0417 -0.0051 1177 LYS 55 CG -0.0125 -0.0413 -0.0049 1178 LYS 55 CD -0.0165 -0.0454 -0.0061 1179 LYS 55 CE -0.0142 -0.0510 -0.0078 1180 LYS 55 NZ -0.0106 -0.0516 -0.0080 1181 VAL 56 N -0.0023 -0.0322 -0.0030 1182 VAL 56 CA -0.0016 -0.0278 -0.0020 1183 VAL 56 C -0.0023 -0.0262 -0.0019 1184 VAL 56 O -0.0028 -0.0286 -0.0024 1185 VAL 56 CB 0.0028 -0.0272 -0.0009 1186 VAL 56 CG1 0.0036 -0.0284 -0.0009 1187 VAL 56 CG2 0.0057 -0.0294 -0.0006 1188 ARG 57 N -0.0004 -0.0220 -0.0010 1189 ARG 57 CA -0.0006 -0.0190 -0.0005 1190 ARG 57 C 0.0030 -0.0169 0.0022 1191 ARG 57 O 0.0048 -0.0156 0.0036 1192 ARG 57 CB -0.0041 -0.0156 -0.0021 1193 ARG 57 CG -0.0047 -0.0126 -0.0019 1194 ARG 57 CD -0.0088 -0.0120 -0.0045 1195 ARG 57 NE -0.0100 -0.0163 -0.0061 1196 ARG 57 CZ -0.0095 -0.0179 -0.0060 1197 ARG 57 NH1 -0.0085 -0.0154 -0.0050 1198 ARG 57 NH2 -0.0099 -0.0222 -0.0071 1199 GLN 58 N 0.0059 -0.0165 0.0042 1200 GLN 58 CA 0.0096 -0.0150 0.0075 1201 GLN 58 C 0.0092 -0.0098 0.0080 1202 GLN 58 O 0.0074 -0.0081 0.0067 1203 GLN 58 CB 0.0112 -0.0175 0.0084 1204 GLN 58 CG 0.0146 -0.0154 0.0116 1205 GLN 58 CD 0.0171 -0.0188 0.0132 1206 GLN 58 OE1 0.0202 -0.0179 0.0159 1207 GLN 58 NE2 0.0159 -0.0229 0.0115 1208 TYR 59 N 0.0116 -0.0079 0.0101 1209 TYR 59 CA 0.0120 -0.0023 0.0111 1210 TYR 59 C 0.0159 -0.0016 0.0152 1211 TYR 59 O 0.0182 -0.0040 0.0174 1212 TYR 59 CB 0.0111 -0.0001 0.0103 1213 TYR 59 CG 0.0071 0.0001 0.0062 1214 TYR 59 CD1 0.0055 -0.0042 0.0041 1215 TYR 59 CD2 0.0050 0.0047 0.0045 1216 TYR 59 CE1 0.0019 -0.0038 0.0004 1217 TYR 59 CE2 0.0014 0.0052 0.0007 1218 TYR 59 CZ -0.0002 0.0009 -0.0013 1219 TYR 59 OH -0.0037 0.0013 -0.0049 1220 ASP 60 N 0.0184 0.0028 0.0162 1221 ASP 60 CA 0.0226 0.0030 0.0172 1222 ASP 60 C 0.0239 0.0073 0.0170 1223 ASP 60 O 0.0217 0.0097 0.0162 1224 ASP 60 CB 0.0242 0.0008 0.0179 1225 ASP 60 CG 0.0236 -0.0036 0.0183 1226 ASP 60 OD1 0.0228 -0.0054 0.0183 1227 ASP 60 OD2 0.0239 -0.0054 0.0186 1228 GLN 61 N 0.0220 0.0013 0.0189 1229 GLN 61 CA 0.0228 0.0017 0.0177 1230 GLN 61 C 0.0223 -0.0021 0.0116 1231 GLN 61 O 0.0245 -0.0005 0.0086 1232 GLN 61 CB 0.0270 0.0079 0.0179 1233 GLN 61 CG 0.0274 0.0117 0.0243 1234 GLN 61 CD 0.0320 0.0177 0.0233 1235 GLN 61 OE1 0.0338 0.0193 0.0214 1236 GLN 61 NE2 0.0337 0.0210 0.0249 1237 ILE 62 N 0.0175 -0.0027 0.0146 1238 ILE 62 CA 0.0172 -0.0027 0.0138 1239 ILE 62 C 0.0171 -0.0028 0.0139 1240 ILE 62 O 0.0170 -0.0031 0.0145 1241 ILE 62 CB 0.0166 -0.0033 0.0136 1242 ILE 62 CG1 0.0166 -0.0032 0.0134 1243 ILE 62 CG2 0.0162 -0.0035 0.0128 1244 ILE 62 CD1 0.0168 -0.0027 0.0126 1245 LEU 63 N 0.0175 -0.0097 0.0138 1246 LEU 63 CA 0.0163 -0.0105 0.0131 1247 LEU 63 C 0.0157 -0.0108 0.0128 1248 LEU 63 O 0.0165 -0.0112 0.0125 1249 LEU 63 CB 0.0170 -0.0115 0.0122 1250 LEU 63 CG 0.0159 -0.0125 0.0115 1251 LEU 63 CD1 0.0155 -0.0133 0.0108 1252 LEU 63 CD2 0.0145 -0.0120 0.0118 1253 ILE 64 N 0.0146 -0.0114 0.0130 1254 ILE 64 CA 0.0142 -0.0117 0.0128 1255 ILE 64 C 0.0135 -0.0122 0.0125 1256 ILE 64 O 0.0130 -0.0121 0.0125 1257 ILE 64 CB 0.0138 -0.0110 0.0132 1258 ILE 64 CG1 0.0138 -0.0103 0.0136 1259 ILE 64 CG2 0.0141 -0.0109 0.0133 1260 ILE 64 CD1 0.0146 -0.0098 0.0139 1261 GLU 65 N 0.0136 -0.0129 0.0125 1262 GLU 65 CA 0.0127 -0.0131 0.0118 1263 GLU 65 C 0.0122 -0.0124 0.0119 1264 GLU 65 O 0.0127 -0.0123 0.0123 1265 GLU 65 CB 0.0129 -0.0141 0.0114 1266 GLU 65 CG 0.0131 -0.0147 0.0112 1267 GLU 65 CD 0.0135 -0.0157 0.0109 1268 GLU 65 OE1 0.0131 -0.0160 0.0105 1269 GLU 65 OE2 0.0142 -0.0162 0.0110 1270 ILE 66 N 0.0115 -0.0130 0.0112 1271 ILE 66 CA 0.0113 -0.0119 0.0112 1272 ILE 66 C 0.0107 -0.0121 0.0105 1273 ILE 66 O 0.0101 -0.0124 0.0098 1274 ILE 66 CB 0.0110 -0.0111 0.0111 1275 ILE 66 CG1 0.0117 -0.0109 0.0118 1276 ILE 66 CG2 0.0107 -0.0100 0.0110 1277 ILE 66 CD1 0.0113 -0.0103 0.0116 1278 CYS 67 N 0.0099 -0.0121 0.0106 1279 CYS 67 CA 0.0093 -0.0129 0.0099 1280 CYS 67 C 0.0094 -0.0140 0.0097 1281 CYS 67 O 0.0103 -0.0144 0.0100 1282 CYS 67 CB 0.0081 -0.0123 0.0094 1283 CYS 67 SG 0.0077 -0.0115 0.0095 1284 GLY 68 N 0.0086 -0.0156 0.0095 1285 GLY 68 CA 0.0092 -0.0163 0.0091 1286 GLY 68 C 0.0092 -0.0157 0.0095 1287 GLY 68 O 0.0092 -0.0163 0.0092 1288 HIS 69 N 0.0093 -0.0144 0.0097 1289 HIS 69 CA 0.0089 -0.0145 0.0093 1290 HIS 69 C 0.0097 -0.0145 0.0101 1291 HIS 69 O 0.0103 -0.0138 0.0109 1292 HIS 69 CB 0.0081 -0.0134 0.0086 1293 HIS 69 CG 0.0076 -0.0136 0.0081 1294 HIS 69 ND1 0.0077 -0.0129 0.0083 1295 HIS 69 CD2 0.0072 -0.0147 0.0075 1296 HIS 69 CE1 0.0073 -0.0135 0.0078 1297 HIS 69 NE2 0.0070 -0.0146 0.0073 1298 LYS 70 N 0.0100 -0.0143 0.0100 1299 LYS 70 CA 0.0109 -0.0141 0.0105 1300 LYS 70 C 0.0106 -0.0130 0.0106 1301 LYS 70 O 0.0096 -0.0127 0.0101 1302 LYS 70 CB 0.0112 -0.0153 0.0104 1303 LYS 70 CG 0.0115 -0.0166 0.0103 1304 LYS 70 CD 0.0115 -0.0178 0.0100 1305 LYS 70 CE 0.0117 -0.0190 0.0098 1306 LYS 70 NZ 0.0128 -0.0193 0.0104 1307 ALA 71 N 0.0118 -0.0122 0.0121 1308 ALA 71 CA 0.0116 -0.0113 0.0124 1309 ALA 71 C 0.0126 -0.0110 0.0125 1310 ALA 71 O 0.0133 -0.0114 0.0123 1311 ALA 71 CB 0.0113 -0.0108 0.0126 1312 ILE 72 N 0.0134 -0.0088 0.0149 1313 ILE 72 CA 0.0145 -0.0080 0.0144 1314 ILE 72 C 0.0144 -0.0071 0.0150 1315 ILE 72 O 0.0136 -0.0067 0.0158 1316 ILE 72 CB 0.0150 -0.0072 0.0145 1317 ILE 72 CG1 0.0153 -0.0079 0.0139 1318 ILE 72 CG2 0.0160 -0.0060 0.0143 1319 ILE 72 CD1 0.0165 -0.0077 0.0129 1320 GLY 73 N 0.0164 -0.0070 0.0169 1321 GLY 73 CA 0.0163 -0.0061 0.0170 1322 GLY 73 C 0.0172 -0.0057 0.0169 1323 GLY 73 O 0.0178 -0.0061 0.0168 1324 THR 74 N 0.0214 -0.0070 0.0171 1325 THR 74 CA 0.0198 -0.0079 0.0162 1326 THR 74 C 0.0179 -0.0090 0.0151 1327 THR 74 O 0.0176 -0.0101 0.0159 1328 THR 74 CB 0.0200 -0.0094 0.0179 1329 THR 74 OG1 0.0219 -0.0083 0.0190 1330 THR 74 CG2 0.0185 -0.0104 0.0171 1331 VAL 75 N 0.0161 -0.0086 0.0141 1332 VAL 75 CA 0.0150 -0.0096 0.0131 1333 VAL 75 C 0.0138 -0.0106 0.0119 1334 VAL 75 O 0.0135 -0.0097 0.0113 1335 VAL 75 CB 0.0147 -0.0078 0.0122 1336 VAL 75 CG1 0.0133 -0.0083 0.0106 1337 VAL 75 CG2 0.0158 -0.0073 0.0133 1338 LEU 76 N 0.0136 -0.0128 0.0100 1339 LEU 76 CA 0.0114 -0.0145 0.0090 1340 LEU 76 C 0.0095 -0.0136 0.0082 1341 LEU 76 O 0.0102 -0.0131 0.0085 1342 LEU 76 CB 0.0120 -0.0176 0.0091 1343 LEU 76 CG 0.0141 -0.0187 0.0100 1344 LEU 76 CD1 0.0148 -0.0216 0.0102 1345 LEU 76 CD2 0.0132 -0.0185 0.0096 1346 VAL 77 N 0.0062 -0.0141 0.0051 1347 VAL 77 CA 0.0045 -0.0133 0.0043 1348 VAL 77 C 0.0028 -0.0158 0.0027 1349 VAL 77 O 0.0018 -0.0170 0.0018 1350 VAL 77 CB 0.0028 -0.0103 0.0040 1351 VAL 77 CG1 0.0006 -0.0094 0.0029 1352 VAL 77 CG2 0.0046 -0.0078 0.0057 1353 GLY 78 N 0.0016 -0.0152 0.0023 1354 GLY 78 CA -0.0006 -0.0185 0.0011 1355 GLY 78 C -0.0004 -0.0185 0.0011 1356 GLY 78 O 0.0010 -0.0159 0.0020 1357 PRO 79 N -0.0021 -0.0210 0.0008 1358 PRO 79 CA -0.0023 -0.0198 0.0012 1359 PRO 79 C 0.0006 -0.0195 0.0006 1360 PRO 79 O 0.0007 -0.0206 0.0002 1361 PRO 79 CB -0.0047 -0.0220 0.0011 1362 PRO 79 CG -0.0041 -0.0249 0.0001 1363 PRO 79 CD -0.0034 -0.0240 0.0002 1364 THR 80 N 0.0019 -0.0169 0.0016 1365 THR 80 CA 0.0040 -0.0165 0.0015 1366 THR 80 C 0.0042 -0.0152 0.0026 1367 THR 80 O 0.0030 -0.0142 0.0036 1368 THR 80 CB 0.0051 -0.0162 0.0017 1369 THR 80 OG1 0.0071 -0.0158 0.0016 1370 THR 80 CG2 0.0042 -0.0149 0.0029 1371 PRO 81 N 0.0021 -0.0153 -0.0005 1372 PRO 81 CA 0.0042 -0.0123 0.0025 1373 PRO 81 C 0.0051 -0.0110 0.0036 1374 PRO 81 O 0.0060 -0.0087 0.0066 1375 PRO 81 CB 0.0079 -0.0109 0.0005 1376 PRO 81 CG 0.0075 -0.0132 -0.0032 1377 PRO 81 CD 0.0044 -0.0159 -0.0042 1378 PHE 82 N 0.0099 -0.0082 0.0082 1379 PHE 82 CA 0.0110 -0.0070 0.0092 1380 PHE 82 C 0.0104 -0.0074 0.0089 1381 PHE 82 O 0.0101 -0.0088 0.0076 1382 PHE 82 CB 0.0136 -0.0069 0.0088 1383 PHE 82 CG 0.0147 -0.0052 0.0104 1384 PHE 82 CD1 0.0151 -0.0045 0.0110 1385 PHE 82 CD2 0.0152 -0.0043 0.0112 1386 PHE 82 CE1 0.0161 -0.0029 0.0125 1387 PHE 82 CE2 0.0162 -0.0027 0.0127 1388 PHE 82 CZ 0.0166 -0.0020 0.0134 1389 ASN 83 N 0.0123 -0.0076 0.0097 1390 ASN 83 CA 0.0120 -0.0074 0.0097 1391 ASN 83 C 0.0124 -0.0076 0.0098 1392 ASN 83 O 0.0129 -0.0076 0.0101 1393 ASN 83 CB 0.0118 -0.0071 0.0103 1394 ASN 83 CG 0.0114 -0.0069 0.0103 1395 ASN 83 OD1 0.0110 -0.0070 0.0100 1396 ASN 83 ND2 0.0115 -0.0068 0.0108 1397 VAL 84 N 0.0135 -0.0077 0.0110 1398 VAL 84 CA 0.0128 -0.0074 0.0110 1399 VAL 84 C 0.0132 -0.0078 0.0106 1400 VAL 84 O 0.0140 -0.0079 0.0110 1401 VAL 84 CB 0.0127 -0.0067 0.0120 1402 VAL 84 CG1 0.0123 -0.0063 0.0122 1403 VAL 84 CG2 0.0122 -0.0062 0.0123 1404 ILE 85 N 0.0129 -0.0075 0.0110 1405 ILE 85 CA 0.0127 -0.0080 0.0105 1406 ILE 85 C 0.0124 -0.0076 0.0101 1407 ILE 85 O 0.0121 -0.0071 0.0098 1408 ILE 85 CB 0.0125 -0.0084 0.0100 1409 ILE 85 CG1 0.0127 -0.0088 0.0103 1410 ILE 85 CG2 0.0123 -0.0090 0.0095 1411 ILE 85 CD1 0.0131 -0.0095 0.0108 1412 GLY 86 N 0.0131 -0.0073 0.0105 1413 GLY 86 CA 0.0126 -0.0064 0.0101 1414 GLY 86 C 0.0117 -0.0068 0.0094 1415 GLY 86 O 0.0114 -0.0078 0.0092 1416 ARG 87 N 0.0112 -0.0035 0.0092 1417 ARG 87 CA 0.0092 -0.0041 0.0077 1418 ARG 87 C 0.0094 -0.0061 0.0075 1419 ARG 87 O 0.0080 -0.0075 0.0063 1420 ARG 87 CB 0.0079 -0.0019 0.0072 1421 ARG 87 CG 0.0073 0.0003 0.0072 1422 ARG 87 CD 0.0058 0.0024 0.0065 1423 ARG 87 NE 0.0069 0.0038 0.0075 1424 ARG 87 CZ 0.0065 0.0035 0.0072 1425 ARG 87 NH1 0.0051 0.0021 0.0060 1426 ARG 87 NH2 0.0076 0.0048 0.0081 1427 ASN 88 N 0.0128 -0.0070 0.0123 1428 ASN 88 CA 0.0133 -0.0082 0.0122 1429 ASN 88 C 0.0133 -0.0096 0.0115 1430 ASN 88 O 0.0132 -0.0106 0.0111 1431 ASN 88 CB 0.0146 -0.0082 0.0131 1432 ASN 88 CG 0.0157 -0.0087 0.0136 1433 ASN 88 OD1 0.0156 -0.0084 0.0136 1434 ASN 88 ND2 0.0167 -0.0095 0.0139 1435 LEU 89 N 0.0122 -0.0080 0.0123 1436 LEU 89 CA 0.0122 -0.0089 0.0116 1437 LEU 89 C 0.0112 -0.0088 0.0108 1438 LEU 89 O 0.0109 -0.0095 0.0101 1439 LEU 89 CB 0.0129 -0.0093 0.0121 1440 LEU 89 CG 0.0138 -0.0097 0.0127 1441 LEU 89 CD1 0.0145 -0.0099 0.0132 1442 LEU 89 CD2 0.0140 -0.0106 0.0123 1443 LEU 90 N 0.0095 -0.0067 0.0082 1444 LEU 90 CA 0.0081 -0.0064 0.0073 1445 LEU 90 C 0.0073 -0.0067 0.0064 1446 LEU 90 O 0.0065 -0.0072 0.0054 1447 LEU 90 CB 0.0075 -0.0049 0.0079 1448 LEU 90 CG 0.0072 -0.0046 0.0079 1449 LEU 90 CD1 0.0081 -0.0056 0.0079 1450 LEU 90 CD2 0.0072 -0.0031 0.0088 1451 THR 91 N 0.0073 -0.0066 0.0074 1452 THR 91 CA 0.0062 -0.0073 0.0062 1453 THR 91 C 0.0060 -0.0094 0.0058 1454 THR 91 O 0.0049 -0.0100 0.0046 1455 THR 91 CB 0.0065 -0.0065 0.0066 1456 THR 91 OG1 0.0059 -0.0047 0.0060 1457 THR 91 CG2 0.0065 -0.0078 0.0065 1458 GLN 92 N 0.0074 -0.0090 0.0093 1459 GLN 92 CA 0.0080 -0.0101 0.0085 1460 GLN 92 C 0.0074 -0.0109 0.0074 1461 GLN 92 O 0.0074 -0.0117 0.0066 1462 GLN 92 CB 0.0095 -0.0104 0.0088 1463 GLN 92 CG 0.0104 -0.0101 0.0094 1464 GLN 92 CD 0.0119 -0.0107 0.0094 1465 GLN 92 OE1 0.0123 -0.0117 0.0087 1466 GLN 92 NE2 0.0127 -0.0101 0.0103 1467 ILE 93 N 0.0079 -0.0109 0.0068 1468 ILE 93 CA 0.0074 -0.0112 0.0060 1469 ILE 93 C 0.0062 -0.0103 0.0047 1470 ILE 93 O 0.0057 -0.0102 0.0040 1471 ILE 93 CB 0.0080 -0.0107 0.0070 1472 ILE 93 CG1 0.0079 -0.0088 0.0077 1473 ILE 93 CG2 0.0092 -0.0118 0.0082 1474 ILE 93 CD1 0.0084 -0.0083 0.0085 1475 GLY 94 N 0.0050 -0.0096 0.0035 1476 GLY 94 CA 0.0034 -0.0084 0.0020 1477 GLY 94 C 0.0022 -0.0062 0.0022 1478 GLY 94 O 0.0009 -0.0054 0.0006 1479 CYS 95 N 0.0031 -0.0052 0.0029 1480 CYS 95 CA 0.0024 -0.0035 0.0031 1481 CYS 95 C 0.0010 -0.0015 0.0028 1482 CYS 95 O 0.0013 -0.0008 0.0035 1483 CYS 95 CB 0.0039 -0.0030 0.0050 1484 CYS 95 SG 0.0035 -0.0013 0.0056 1485 THR 96 N -0.0005 0.0015 0.0016 1486 THR 96 CA -0.0016 0.0034 0.0014 1487 THR 96 C -0.0018 0.0051 0.0019 1488 THR 96 O -0.0016 0.0048 0.0021 1489 THR 96 CB -0.0031 0.0031 -0.0004 1490 THR 96 OG1 -0.0036 0.0022 -0.0014 1491 THR 96 CG2 -0.0031 0.0019 -0.0010 1492 LEU 97 N -0.0032 0.0083 0.0023 1493 LEU 97 CA -0.0035 0.0093 0.0025 1494 LEU 97 C -0.0044 0.0098 0.0017 1495 LEU 97 O -0.0047 0.0098 0.0013 1496 LEU 97 CB -0.0031 0.0099 0.0034 1497 LEU 97 CG -0.0030 0.0109 0.0040 1498 LEU 97 CD1 -0.0027 0.0107 0.0042 1499 LEU 97 CD2 -0.0024 0.0113 0.0048 1500 ASN 98 N -0.0045 0.0096 0.0021 1501 ASN 98 CA -0.0059 0.0102 0.0008 1502 ASN 98 C -0.0066 0.0117 0.0011 1503 ASN 98 O -0.0064 0.0118 0.0015 1504 ASN 98 CB -0.0065 0.0091 -0.0005 1505 ASN 98 CG -0.0061 0.0074 -0.0013 1506 ASN 98 OD1 -0.0052 0.0066 -0.0008 1507 ASN 98 ND2 -0.0069 0.0069 -0.0026 1508 PHE 99 N -0.0057 0.0127 0.0028 1509 PHE 99 CA -0.0068 0.0135 0.0029 1510 PHE 99 C -0.0079 0.0139 0.0025 1511 PHE 99 O -0.0077 0.0133 0.0021 1512 PHE 99 CB -0.0065 0.0146 0.0040 1513 PHE 99 CG -0.0062 0.0153 0.0048 1514 PHE 99 CD1 -0.0050 0.0150 0.0053 1515 PHE 99 CD2 -0.0071 0.0164 0.0052 1516 PHE 99 CE1 -0.0047 0.0158 0.0061 1517 PHE 99 CE2 -0.0069 0.0172 0.0060 1518 PHE 99 CZ -0.0057 0.0169 0.0064