1 PRO 1 N 0.0113 0.0212 -0.0194 2 PRO 1 CA 0.0128 0.0243 -0.0206 3 PRO 1 C 0.0131 0.0219 -0.0206 4 PRO 1 O 0.0122 0.0178 -0.0197 5 PRO 1 CB 0.0097 0.0283 -0.0190 6 PRO 1 CG 0.0059 0.0259 -0.0164 7 PRO 1 CD 0.0070 0.0219 -0.0168 8 GLN 2 N 0.0148 0.0236 -0.0218 9 GLN 2 CA 0.0146 0.0212 -0.0215 10 GLN 2 C 0.0108 0.0226 -0.0200 11 GLN 2 O 0.0097 0.0263 -0.0201 12 GLN 2 CB 0.0182 0.0220 -0.0231 13 GLN 2 CG 0.0186 0.0192 -0.0229 14 GLN 2 CD 0.0211 0.0212 -0.0241 15 GLN 2 OE1 0.0198 0.0245 -0.0241 16 GLN 2 NE2 0.0245 0.0192 -0.0253 17 ILE 3 N 0.0094 0.0168 -0.0197 18 ILE 3 CA 0.0055 0.0181 -0.0181 19 ILE 3 C 0.0050 0.0162 -0.0175 20 ILE 3 O 0.0059 0.0122 -0.0171 21 ILE 3 CB 0.0017 0.0176 -0.0162 22 ILE 3 CG1 0.0001 0.0130 -0.0145 23 ILE 3 CG2 0.0027 0.0185 -0.0168 24 ILE 3 CD1 -0.0037 0.0126 -0.0125 25 THR 4 N 0.0041 0.0168 -0.0187 26 THR 4 CA 0.0024 0.0158 -0.0174 27 THR 4 C -0.0011 0.0142 -0.0149 28 THR 4 O -0.0024 0.0143 -0.0143 29 THR 4 CB 0.0009 0.0192 -0.0184 30 THR 4 OG1 -0.0013 0.0220 -0.0188 31 THR 4 CG2 0.0042 0.0207 -0.0207 32 LEU 5 N -0.0025 0.0105 -0.0119 33 LEU 5 CA -0.0049 0.0086 -0.0096 34 LEU 5 C -0.0082 0.0100 -0.0088 35 LEU 5 O -0.0102 0.0084 -0.0069 36 LEU 5 CB -0.0036 0.0051 -0.0084 37 LEU 5 CG -0.0008 0.0032 -0.0087 38 LEU 5 CD1 0.0008 0.0000 -0.0078 39 LEU 5 CD2 -0.0019 0.0027 -0.0079 40 TRP 6 N -0.0094 0.0147 -0.0119 41 TRP 6 CA -0.0136 0.0165 -0.0114 42 TRP 6 C -0.0167 0.0168 -0.0104 43 TRP 6 O -0.0204 0.0167 -0.0089 44 TRP 6 CB -0.0136 0.0202 -0.0141 45 TRP 6 CG -0.0106 0.0199 -0.0151 46 TRP 6 CD1 -0.0065 0.0203 -0.0170 47 TRP 6 CD2 -0.0113 0.0190 -0.0141 48 TRP 6 NE1 -0.0047 0.0197 -0.0173 49 TRP 6 CE2 -0.0076 0.0189 -0.0156 50 TRP 6 CE3 -0.0148 0.0182 -0.0122 51 TRP 6 CZ2 -0.0072 0.0181 -0.0152 52 TRP 6 CZ3 -0.0144 0.0174 -0.0118 53 TRP 6 CH2 -0.0106 0.0174 -0.0133 54 GLN 7 N -0.0147 0.0172 -0.0105 55 GLN 7 CA -0.0200 0.0179 -0.0103 56 GLN 7 C -0.0157 0.0130 -0.0077 57 GLN 7 O -0.0081 0.0108 -0.0072 58 GLN 7 CB -0.0205 0.0258 -0.0154 59 GLN 7 CG -0.0240 0.0312 -0.0185 60 GLN 7 CD -0.0337 0.0326 -0.0182 61 GLN 7 OE1 -0.0385 0.0284 -0.0148 62 GLN 7 NE2 -0.0368 0.0388 -0.0219 63 ARG 8 N -0.0162 0.0098 -0.0036 64 ARG 8 CA -0.0146 0.0080 -0.0027 65 ARG 8 C -0.0121 0.0086 -0.0044 66 ARG 8 O -0.0124 0.0105 -0.0060 67 ARG 8 CB -0.0164 0.0076 -0.0016 68 ARG 8 CG -0.0183 0.0062 0.0005 69 ARG 8 CD -0.0206 0.0064 0.0014 70 ARG 8 NE -0.0217 0.0045 0.0036 71 ARG 8 CZ -0.0243 0.0045 0.0048 72 ARG 8 NH1 -0.0261 0.0064 0.0040 73 ARG 8 NH2 -0.0250 0.0026 0.0068 74 PRO 9 N -0.0126 0.0069 -0.0046 75 PRO 9 CA -0.0105 0.0076 -0.0055 76 PRO 9 C -0.0119 0.0075 -0.0050 77 PRO 9 O -0.0113 0.0054 -0.0047 78 PRO 9 CB -0.0081 0.0051 -0.0059 79 PRO 9 CG -0.0095 0.0025 -0.0047 80 PRO 9 CD -0.0120 0.0039 -0.0040 81 LEU 10 N -0.0140 0.0072 -0.0061 82 LEU 10 CA -0.0145 0.0069 -0.0055 83 LEU 10 C -0.0136 0.0073 -0.0065 84 LEU 10 O -0.0131 0.0086 -0.0075 85 LEU 10 CB -0.0161 0.0081 -0.0046 86 LEU 10 CG -0.0173 0.0075 -0.0034 87 LEU 10 CD1 -0.0187 0.0090 -0.0029 88 LEU 10 CD2 -0.0176 0.0058 -0.0024 89 VAL 11 N -0.0134 0.0049 -0.0060 90 VAL 11 CA -0.0127 0.0051 -0.0068 91 VAL 11 C -0.0129 0.0049 -0.0065 92 VAL 11 O -0.0135 0.0044 -0.0056 93 VAL 11 CB -0.0115 0.0043 -0.0072 94 VAL 11 CG1 -0.0112 0.0045 -0.0077 95 VAL 11 CG2 -0.0114 0.0031 -0.0064 96 THR 12 N -0.0134 0.0032 -0.0075 97 THR 12 N -0.0134 0.0032 -0.0074 98 THR 12 CA -0.0129 0.0029 -0.0074 99 THR 12 CA -0.0129 0.0029 -0.0074 100 THR 12 C -0.0119 0.0023 -0.0071 101 THR 12 C -0.0119 0.0023 -0.0072 102 THR 12 O -0.0115 0.0021 -0.0075 103 THR 12 O -0.0114 0.0021 -0.0078 104 THR 12 CB -0.0128 0.0031 -0.0085 105 THR 12 CB -0.0129 0.0032 -0.0085 106 THR 12 OG1 -0.0138 0.0037 -0.0087 107 THR 12 OG1 -0.0125 0.0031 -0.0093 108 THR 12 CG2 -0.0124 0.0029 -0.0085 109 THR 12 CG2 -0.0140 0.0038 -0.0086 110 ILE 13 N -0.0128 0.0003 -0.0060 111 ILE 13 CA -0.0123 -0.0005 -0.0059 112 ILE 13 C -0.0120 -0.0010 -0.0057 113 ILE 13 O -0.0122 -0.0007 -0.0053 114 ILE 13 CB -0.0123 -0.0006 -0.0053 115 ILE 13 CG1 -0.0124 -0.0005 -0.0043 116 ILE 13 CG2 -0.0126 -0.0000 -0.0054 117 ILE 13 CD1 -0.0123 -0.0006 -0.0036 118 LYS 14 N -0.0134 -0.0022 -0.0054 119 LYS 14 CA -0.0120 -0.0038 -0.0050 120 LYS 14 C -0.0110 -0.0042 -0.0040 121 LYS 14 O -0.0114 -0.0043 -0.0047 122 LYS 14 CB -0.0120 -0.0053 -0.0066 123 LYS 14 CG -0.0105 -0.0068 -0.0062 124 LYS 14 CD -0.0105 -0.0084 -0.0078 125 LYS 14 CE -0.0090 -0.0098 -0.0072 126 LYS 14 NZ -0.0090 -0.0113 -0.0088 127 ILE 15 N -0.0105 -0.0066 -0.0048 128 ILE 15 CA -0.0101 -0.0065 -0.0044 129 ILE 15 C -0.0088 -0.0074 -0.0033 130 ILE 15 O -0.0081 -0.0073 -0.0026 131 ILE 15 CB -0.0102 -0.0048 -0.0041 132 ILE 15 CG1 -0.0097 -0.0047 -0.0037 133 ILE 15 CG2 -0.0095 -0.0037 -0.0033 134 ILE 15 CD1 -0.0099 -0.0031 -0.0036 135 GLY 16 N -0.0069 -0.0093 -0.0034 136 GLY 16 CA -0.0045 -0.0106 -0.0026 137 GLY 16 C -0.0036 -0.0128 -0.0027 138 GLY 16 O -0.0015 -0.0131 -0.0017 139 GLY 17 N -0.0058 -0.0123 -0.0032 140 GLY 17 CA -0.0057 -0.0128 -0.0030 141 GLY 17 C -0.0056 -0.0114 -0.0026 142 GLY 17 O -0.0054 -0.0117 -0.0023 143 GLN 18 N -0.0051 -0.0108 -0.0031 144 GLN 18 CA -0.0040 -0.0097 -0.0026 145 GLN 18 C -0.0060 -0.0085 -0.0035 146 GLN 18 O -0.0078 -0.0075 -0.0044 147 GLN 18 CB -0.0023 -0.0075 -0.0017 148 GLN 18 CG -0.0003 -0.0084 -0.0007 149 GLN 18 CD 0.0013 -0.0061 0.0001 150 GLN 18 OE1 0.0023 -0.0048 0.0006 151 GLN 18 NE2 0.0015 -0.0056 0.0002 152 LEU 19 N -0.0079 -0.0047 -0.0036 153 LEU 19 CA -0.0088 -0.0037 -0.0044 154 LEU 19 C -0.0088 -0.0022 -0.0037 155 LEU 19 O -0.0082 -0.0019 -0.0027 156 LEU 19 CB -0.0091 -0.0040 -0.0050 157 LEU 19 CG -0.0090 -0.0055 -0.0057 158 LEU 19 CD1 -0.0092 -0.0056 -0.0060 159 LEU 19 CD2 -0.0096 -0.0059 -0.0068 160 LYS 20 N -0.0088 -0.0026 -0.0053 161 LYS 20 CA -0.0091 -0.0010 -0.0044 162 LYS 20 C -0.0105 -0.0000 -0.0053 163 LYS 20 O -0.0112 -0.0005 -0.0065 164 LYS 20 CB -0.0085 -0.0006 -0.0033 165 LYS 20 CG -0.0070 -0.0014 -0.0023 166 LYS 20 CD -0.0064 -0.0009 -0.0013 167 LYS 20 CE -0.0050 -0.0017 -0.0002 168 LYS 20 NZ -0.0045 -0.0014 0.0006 169 GLU 21 N -0.0140 0.0021 -0.0035 170 GLU 21 CA -0.0141 0.0024 -0.0039 171 GLU 21 C -0.0138 0.0013 -0.0027 172 GLU 21 O -0.0144 0.0006 -0.0014 173 GLU 21 CB -0.0156 0.0037 -0.0038 174 GLU 21 CG -0.0159 0.0050 -0.0050 175 GLU 21 CD -0.0156 0.0058 -0.0063 176 GLU 21 OE1 -0.0146 0.0052 -0.0066 177 GLU 21 OE2 -0.0164 0.0071 -0.0070 178 ALA 22 N -0.0150 0.0014 -0.0027 179 ALA 22 CA -0.0148 0.0008 -0.0022 180 ALA 22 C -0.0147 0.0011 -0.0027 181 ALA 22 O -0.0145 0.0016 -0.0035 182 ALA 22 CB -0.0140 -0.0001 -0.0023 183 LEU 23 N -0.0150 0.0002 -0.0008 184 LEU 23 CA -0.0146 -0.0001 -0.0008 185 LEU 23 C -0.0133 -0.0007 -0.0009 186 LEU 23 O -0.0130 -0.0017 -0.0004 187 LEU 23 CB -0.0155 -0.0008 -0.0001 188 LEU 23 CG -0.0156 -0.0010 0.0000 189 LEU 23 CD1 -0.0161 0.0001 -0.0004 190 LEU 23 CD2 -0.0164 -0.0020 0.0008 191 LEU 24 N -0.0124 0.0014 -0.0024 192 LEU 24 CA -0.0103 -0.0001 -0.0030 193 LEU 24 C -0.0106 -0.0016 -0.0022 194 LEU 24 O -0.0110 -0.0007 -0.0024 195 LEU 24 CB -0.0085 0.0013 -0.0046 196 LEU 24 CG -0.0082 0.0030 -0.0055 197 LEU 24 CD1 -0.0065 0.0043 -0.0071 198 LEU 24 CD2 -0.0075 0.0018 -0.0054 199 ASP 25 N -0.0104 -0.0035 0.0001 200 ASP 25 CA -0.0111 -0.0053 0.0009 201 ASP 25 C -0.0094 -0.0070 0.0012 202 ASP 25 O -0.0092 -0.0083 0.0016 203 ASP 25 CB -0.0131 -0.0060 0.0016 204 ASP 25 CG -0.0141 -0.0077 0.0024 205 ASP 25 OD1 -0.0131 -0.0085 0.0025 206 ASP 25 OD2 -0.0160 -0.0081 0.0030 207 THR 26 N -0.0066 -0.0098 0.0004 208 THR 26 CA -0.0040 -0.0123 0.0003 209 THR 26 C -0.0051 -0.0157 0.0016 210 THR 26 O -0.0032 -0.0181 0.0017 211 THR 26 CB -0.0015 -0.0114 -0.0009 212 THR 26 OG1 -0.0030 -0.0110 -0.0005 213 THR 26 CG2 -0.0001 -0.0082 -0.0023 214 GLY 27 N -0.0080 -0.0152 0.0042 215 GLY 27 CA -0.0094 -0.0184 0.0051 216 GLY 27 C -0.0107 -0.0185 0.0049 217 GLY 27 O -0.0118 -0.0211 0.0057 218 ALA 28 N -0.0125 -0.0126 0.0014 219 ALA 28 CA -0.0142 -0.0124 0.0010 220 ALA 28 C -0.0130 -0.0123 0.0013 221 ALA 28 O -0.0118 -0.0107 0.0017 222 ALA 28 CB -0.0157 -0.0103 0.0009 223 ASP 29 N -0.0153 -0.0168 0.0004 224 ASP 29 CA -0.0125 -0.0151 0.0017 225 ASP 29 C -0.0138 -0.0094 0.0004 226 ASP 29 O -0.0106 -0.0060 0.0017 227 ASP 29 CB -0.0135 -0.0192 0.0016 228 ASP 29 CG -0.0119 -0.0249 0.0031 229 ASP 29 OD1 -0.0089 -0.0255 0.0047 230 ASP 29 OD2 -0.0136 -0.0287 0.0027 231 ASP 30 N -0.0197 0.0019 -0.0042 232 ASP 30 CA -0.0193 0.0014 -0.0042 233 ASP 30 CA -0.0195 0.0013 -0.0040 234 ASP 30 C -0.0179 -0.0009 -0.0039 235 ASP 30 O -0.0165 -0.0018 -0.0043 236 ASP 30 CB -0.0183 0.0032 -0.0056 237 ASP 30 CB -0.0191 0.0033 -0.0051 238 ASP 30 CG -0.0188 0.0054 -0.0063 239 ASP 30 CG -0.0209 0.0054 -0.0051 240 ASP 30 OD1 -0.0207 0.0062 -0.0056 241 ASP 30 OD1 -0.0228 0.0053 -0.0040 242 ASP 30 OD2 -0.0173 0.0065 -0.0076 243 ASP 30 OD2 -0.0204 0.0071 -0.0062 244 THR 31 N -0.0184 0.0004 -0.0027 245 THR 31 CA -0.0181 -0.0003 -0.0028 246 THR 31 C -0.0173 -0.0002 -0.0031 247 THR 31 O -0.0171 0.0003 -0.0032 248 THR 31 CB -0.0183 -0.0007 -0.0027 249 THR 31 OG1 -0.0190 -0.0009 -0.0024 250 THR 31 CG2 -0.0179 -0.0014 -0.0029 251 VAL 32 N -0.0158 0.0015 -0.0019 252 VAL 32 CA -0.0132 0.0019 -0.0015 253 VAL 32 C -0.0122 -0.0002 -0.0019 254 VAL 32 O -0.0131 -0.0006 -0.0021 255 VAL 32 CB -0.0127 0.0042 -0.0010 256 VAL 32 CG1 -0.0100 0.0049 -0.0005 257 VAL 32 CG2 -0.0145 0.0061 -0.0008 258 LEU 33 N -0.0089 0.0016 -0.0021 259 LEU 33 CA -0.0077 -0.0007 -0.0024 260 LEU 33 C -0.0050 -0.0002 -0.0027 261 LEU 33 O -0.0038 0.0015 -0.0026 262 LEU 33 CB -0.0079 -0.0025 -0.0026 263 LEU 33 CG -0.0106 -0.0032 -0.0024 264 LEU 33 CD1 -0.0106 -0.0053 -0.0026 265 LEU 33 CD2 -0.0122 -0.0040 -0.0023 266 GLU 34 N -0.0019 -0.0016 -0.0026 267 GLU 34 CA 0.0006 -0.0014 -0.0028 268 GLU 34 C 0.0028 -0.0021 -0.0032 269 GLU 34 O 0.0023 -0.0030 -0.0034 270 GLU 34 CB 0.0007 -0.0032 -0.0034 271 GLU 34 CG -0.0016 -0.0030 -0.0031 272 GLU 34 CD -0.0017 -0.0051 -0.0039 273 GLU 34 OE1 -0.0012 -0.0073 -0.0047 274 GLU 34 OE2 -0.0023 -0.0046 -0.0037 275 GLU 35 N 0.0076 0.0000 -0.0035 276 GLU 35 CA 0.0103 -0.0004 -0.0040 277 GLU 35 C 0.0097 -0.0040 -0.0045 278 GLU 35 O 0.0095 -0.0070 -0.0049 279 GLU 35 CB 0.0142 -0.0001 -0.0045 280 GLU 35 CG 0.0173 0.0004 -0.0049 281 GLU 35 CD 0.0164 0.0032 -0.0043 282 GLU 35 OE1 0.0156 0.0064 -0.0037 283 GLU 35 OE2 0.0165 0.0022 -0.0045 284 MET 36 N 0.0068 -0.0010 -0.0021 285 MET 36 CA 0.0067 -0.0039 -0.0024 286 MET 36 C 0.0075 -0.0030 -0.0023 287 MET 36 O 0.0073 -0.0003 -0.0020 288 MET 36 CB 0.0034 -0.0055 -0.0025 289 MET 36 CG 0.0007 -0.0036 -0.0022 290 MET 36 SD -0.0030 -0.0056 -0.0023 291 MET 36 CE -0.0020 -0.0092 -0.0027 292 ASN 37 N 0.0079 -0.0049 0.0003 293 ASN 37 CA 0.0087 -0.0059 0.0004 294 ASN 37 C 0.0054 -0.0071 -0.0012 295 ASN 37 O 0.0039 -0.0099 -0.0025 296 ASN 37 CB 0.0118 -0.0091 0.0009 297 ASN 37 CG 0.0132 -0.0095 0.0014 298 ASN 37 OD1 0.0118 -0.0076 0.0013 299 ASN 37 ND2 0.0160 -0.0121 0.0020 300 LEU 38 N 0.0045 -0.0062 -0.0019 301 LEU 38 CA 0.0026 -0.0071 -0.0029 302 LEU 38 C 0.0052 -0.0078 -0.0023 303 LEU 38 O 0.0074 -0.0059 -0.0008 304 LEU 38 CB -0.0003 -0.0045 -0.0026 305 LEU 38 CG -0.0036 -0.0044 -0.0037 306 LEU 38 CD1 -0.0064 -0.0020 -0.0035 307 LEU 38 CD2 -0.0048 -0.0078 -0.0056 308 PRO 39 N 0.0034 -0.0112 -0.0023 309 PRO 39 CA 0.0047 -0.0126 -0.0016 310 PRO 39 C 0.0031 -0.0108 -0.0024 311 PRO 39 O 0.0003 -0.0096 -0.0038 312 PRO 39 CB 0.0041 -0.0166 -0.0022 313 PRO 39 CG 0.0015 -0.0170 -0.0036 314 PRO 39 CD 0.0009 -0.0134 -0.0037 315 GLY 40 N 0.0064 -0.0122 -0.0015 316 GLY 40 CA 0.0040 -0.0098 -0.0024 317 GLY 40 C 0.0054 -0.0045 -0.0020 318 GLY 40 O 0.0090 -0.0026 -0.0007 319 ARG 41 N 0.0028 -0.0023 -0.0025 320 ARG 41 CA 0.0038 0.0041 -0.0030 321 ARG 41 C 0.0023 0.0078 -0.0037 322 ARG 41 O -0.0018 0.0063 -0.0045 323 ARG 41 CB 0.0005 0.0062 -0.0040 324 ARG 41 CG -0.0061 0.0051 -0.0053 325 ARG 41 CD -0.0088 0.0054 -0.0060 326 ARG 41 NE -0.0146 0.0078 -0.0075 327 ARG 41 CZ -0.0180 0.0089 -0.0084 328 ARG 41 NH1 -0.0163 0.0077 -0.0079 329 ARG 41 NH2 -0.0233 0.0111 -0.0099 330 TRP 42 N 0.0055 0.0125 -0.0036 331 TRP 42 CA 0.0041 0.0161 -0.0038 332 TRP 42 C 0.0052 0.0223 -0.0038 333 TRP 42 O 0.0080 0.0238 -0.0035 334 TRP 42 CB 0.0072 0.0142 -0.0034 335 TRP 42 CG 0.0135 0.0140 -0.0027 336 TRP 42 CD1 0.0167 0.0095 -0.0023 337 TRP 42 CD2 0.0174 0.0185 -0.0024 338 TRP 42 NE1 0.0223 0.0109 -0.0017 339 TRP 42 CE2 0.0229 0.0163 -0.0017 340 TRP 42 CE3 0.0168 0.0241 -0.0026 341 TRP 42 CZ2 0.0279 0.0196 -0.0012 342 TRP 42 CZ3 0.0217 0.0273 -0.0021 343 TRP 42 CH2 0.0272 0.0251 -0.0014 344 LYS 43 N 0.0039 0.0248 -0.0036 345 LYS 43 CA 0.0049 0.0315 -0.0038 346 LYS 43 C 0.0070 0.0337 -0.0039 347 LYS 43 O 0.0047 0.0314 -0.0038 348 LYS 43 CB -0.0010 0.0350 -0.0041 349 LYS 43 CG -0.0028 0.0338 -0.0041 350 LYS 43 CD -0.0076 0.0388 -0.0044 351 LYS 43 CE -0.0091 0.0376 -0.0043 352 LYS 43 NZ -0.0037 0.0395 -0.0043 353 PRO 44 N 0.0112 0.0402 -0.0016 354 PRO 44 CA 0.0128 0.0418 -0.0017 355 PRO 44 C 0.0077 0.0449 -0.0011 356 PRO 44 O 0.0044 0.0483 -0.0006 357 PRO 44 CB 0.0180 0.0462 -0.0022 358 PRO 44 CG 0.0201 0.0453 -0.0025 359 PRO 44 CD 0.0147 0.0435 -0.0019 360 LYS 45 N 0.0065 0.0391 0.0007 361 LYS 45 CA 0.0029 0.0416 -0.0000 362 LYS 45 C 0.0042 0.0431 0.0003 363 LYS 45 O 0.0070 0.0412 0.0009 364 LYS 45 CB -0.0012 0.0387 -0.0009 365 LYS 45 CG -0.0054 0.0412 -0.0018 366 LYS 45 CD -0.0090 0.0382 -0.0026 367 LYS 45 CE -0.0125 0.0407 -0.0033 368 LYS 45 NZ -0.0146 0.0444 -0.0038 369 MET 46 N -0.0003 0.0570 0.0052 370 MET 46 CA 0.0006 0.0568 0.0050 371 MET 46 C -0.0081 0.0554 0.0067 372 MET 46 O -0.0141 0.0597 0.0084 373 MET 46 CB 0.0045 0.0652 0.0050 374 MET 46 CG 0.0098 0.0640 0.0037 375 MET 46 SD 0.0190 0.0708 0.0024 376 MET 46 CE 0.0228 0.0684 0.0014 377 ILE 47 N -0.0034 0.0428 0.0095 378 ILE 47 CA -0.0115 0.0423 0.0092 379 ILE 47 C -0.0113 0.0450 0.0098 380 ILE 47 O -0.0053 0.0436 0.0097 381 ILE 47 CB -0.0154 0.0339 0.0071 382 ILE 47 CG1 -0.0102 0.0276 0.0058 383 ILE 47 CG2 -0.0169 0.0317 0.0066 384 ILE 47 CD1 -0.0144 0.0197 0.0039 385 GLY 48 N -0.0239 0.0492 0.0175 386 GLY 48 CA -0.0208 0.0454 0.0156 387 GLY 48 C -0.0256 0.0348 0.0205 388 GLY 48 O -0.0340 0.0335 0.0272 389 GLY 49 N -0.0221 0.0324 0.0190 390 GLY 49 CA -0.0239 0.0248 0.0232 391 GLY 49 C -0.0214 0.0209 0.0206 392 GLY 49 O -0.0198 0.0253 0.0173 393 ILE 50 N -0.0113 0.0090 0.0202 394 ILE 50 CA -0.0081 0.0054 0.0179 395 ILE 50 C -0.0074 0.0056 0.0134 396 ILE 50 O -0.0079 0.0061 0.0140 397 ILE 50 CB -0.0059 0.0017 0.0219 398 ILE 50 CG1 -0.0043 -0.0007 0.0229 399 ILE 50 CG2 -0.0036 -0.0010 0.0204 400 ILE 50 CD1 -0.0025 -0.0039 0.0274 401 GLY 51 N -0.0065 0.0110 0.0135 402 GLY 51 CA -0.0021 0.0111 0.0084 403 GLY 51 C -0.0017 0.0172 0.0056 404 GLY 51 O 0.0019 0.0182 0.0012 405 GLY 52 N -0.0060 0.0234 0.0078 406 GLY 52 CA -0.0032 0.0334 0.0055 407 GLY 52 C -0.0037 0.0363 0.0066 408 GLY 52 O -0.0080 0.0325 0.0115 409 PHE 53 N 0.0046 0.0493 0.0046 410 PHE 53 CA 0.0035 0.0492 0.0051 411 PHE 53 CA 0.0036 0.0493 0.0050 412 PHE 53 C 0.0104 0.0430 0.0018 413 PHE 53 O 0.0177 0.0414 -0.0015 414 PHE 53 CB 0.0038 0.0597 0.0055 415 PHE 53 CB 0.0046 0.0597 0.0051 416 PHE 53 CG -0.0044 0.0654 0.0094 417 PHE 53 CG 0.0140 0.0639 0.0013 418 PHE 53 CD1 -0.0108 0.0675 0.0122 419 PHE 53 CD1 0.0167 0.0689 0.0004 420 PHE 53 CD2 -0.0058 0.0688 0.0101 421 PHE 53 CD2 0.0201 0.0630 -0.0013 422 PHE 53 CE1 -0.0184 0.0728 0.0158 423 PHE 53 CE1 0.0253 0.0728 -0.0031 424 PHE 53 CE2 -0.0134 0.0741 0.0137 425 PHE 53 CE2 0.0287 0.0668 -0.0049 426 PHE 53 CZ -0.0197 0.0761 0.0165 427 PHE 53 CZ 0.0313 0.0718 -0.0057 428 ILE 54 N 0.0053 0.0403 0.0033 429 ILE 54 CA 0.0103 0.0372 0.0007 430 ILE 54 C 0.0105 0.0406 0.0010 431 ILE 54 O 0.0057 0.0430 0.0035 432 ILE 54 CB 0.0093 0.0291 -0.0001 433 ILE 54 CG1 0.0026 0.0269 0.0025 434 ILE 54 CG2 0.0107 0.0255 -0.0012 435 ILE 54 CD1 0.0022 0.0194 0.0016 436 LYS 55 N 0.0165 0.0405 0.0000 437 LYS 55 CA 0.0181 0.0425 -0.0002 438 LYS 55 C 0.0155 0.0328 -0.0007 439 LYS 55 O 0.0182 0.0247 -0.0026 440 LYS 55 CB 0.0286 0.0453 -0.0028 441 LYS 55 CG 0.0321 0.0558 -0.0025 442 LYS 55 CD 0.0428 0.0581 -0.0053 443 LYS 55 CE 0.0491 0.0528 -0.0078 444 LYS 55 NZ 0.0591 0.0559 -0.0103 445 VAL 56 N 0.0114 0.0307 -0.0016 446 VAL 56 CA 0.0094 0.0252 -0.0018 447 VAL 56 C 0.0098 0.0251 -0.0019 448 VAL 56 O 0.0106 0.0297 -0.0016 449 VAL 56 CB 0.0031 0.0238 -0.0013 450 VAL 56 CG1 0.0026 0.0229 -0.0013 451 VAL 56 CG2 -0.0012 0.0284 -0.0005 452 ARG 57 N 0.0075 0.0198 -0.0027 453 ARG 57 CA 0.0074 0.0187 -0.0028 454 ARG 57 C 0.0034 0.0176 -0.0032 455 ARG 57 O 0.0017 0.0155 -0.0036 456 ARG 57 CB 0.0102 0.0154 -0.0031 457 ARG 57 CG 0.0143 0.0165 -0.0026 458 ARG 57 CD 0.0170 0.0132 -0.0029 459 ARG 57 NE 0.0176 0.0110 -0.0031 460 ARG 57 CZ 0.0167 0.0074 -0.0036 461 ARG 57 NH1 0.0150 0.0055 -0.0040 462 ARG 57 NH2 0.0175 0.0058 -0.0038 463 GLN 58 N 0.0002 0.0203 -0.0035 464 GLN 58 CA -0.0047 0.0193 -0.0041 465 GLN 58 C -0.0057 0.0155 -0.0038 466 GLN 58 O -0.0047 0.0161 -0.0038 467 GLN 58 CB -0.0074 0.0236 -0.0050 468 GLN 58 CG -0.0127 0.0227 -0.0056 469 GLN 58 CD -0.0154 0.0270 -0.0064 470 GLN 58 OE1 -0.0145 0.0308 -0.0067 471 GLN 58 NE2 -0.0188 0.0262 -0.0068 472 TYR 59 N -0.0081 0.0111 -0.0051 473 TYR 59 CA -0.0092 0.0074 -0.0052 474 TYR 59 C -0.0141 0.0071 -0.0058 475 TYR 59 O -0.0165 0.0068 -0.0061 476 TYR 59 CB -0.0075 0.0032 -0.0050 477 TYR 59 CG -0.0027 0.0027 -0.0045 478 TYR 59 CD1 -0.0006 0.0006 -0.0042 479 TYR 59 CD2 -0.0002 0.0043 -0.0042 480 TYR 59 CE1 0.0039 0.0001 -0.0037 481 TYR 59 CE2 0.0043 0.0039 -0.0037 482 TYR 59 CZ 0.0063 0.0017 -0.0034 483 TYR 59 OH 0.0106 0.0012 -0.0029 484 ASP 60 N -0.0157 0.0069 -0.0072 485 ASP 60 CA -0.0211 0.0068 -0.0076 486 ASP 60 C -0.0230 0.0015 -0.0072 487 ASP 60 O -0.0203 -0.0016 -0.0067 488 ASP 60 CB -0.0227 0.0105 -0.0081 489 ASP 60 CG -0.0214 0.0158 -0.0086 490 ASP 60 OD1 -0.0215 0.0170 -0.0087 491 ASP 60 OD2 -0.0202 0.0188 -0.0088 492 GLN 61 N -0.0246 0.0000 -0.0109 493 GLN 61 CA -0.0271 -0.0032 -0.0091 494 GLN 61 C -0.0245 -0.0055 -0.0056 495 GLN 61 O -0.0255 -0.0082 -0.0034 496 GLN 61 CB -0.0308 -0.0046 -0.0096 497 GLN 61 CG -0.0331 -0.0021 -0.0131 498 GLN 61 CD -0.0363 -0.0032 -0.0137 499 GLN 61 OE1 -0.0354 -0.0039 -0.0126 500 GLN 61 NE2 -0.0400 -0.0034 -0.0154 501 ILE 62 N -0.0208 -0.0033 -0.0069 502 ILE 62 CA -0.0194 -0.0048 -0.0060 503 ILE 62 C -0.0208 -0.0060 -0.0061 504 ILE 62 O -0.0219 -0.0049 -0.0068 505 ILE 62 CB -0.0172 -0.0036 -0.0056 506 ILE 62 CG1 -0.0156 -0.0028 -0.0052 507 ILE 62 CG2 -0.0161 -0.0051 -0.0047 508 ILE 62 CD1 -0.0149 -0.0048 -0.0044 509 LEU 63 N -0.0206 -0.0044 -0.0059 510 LEU 63 CA -0.0201 -0.0044 -0.0053 511 LEU 63 C -0.0188 -0.0039 -0.0048 512 LEU 63 O -0.0184 -0.0039 -0.0041 513 LEU 63 CB -0.0210 -0.0048 -0.0041 514 LEU 63 CG -0.0205 -0.0048 -0.0033 515 LEU 63 CD1 -0.0207 -0.0047 -0.0041 516 LEU 63 CD2 -0.0211 -0.0052 -0.0020 517 ILE 64 N -0.0170 -0.0035 -0.0051 518 ILE 64 CA -0.0163 -0.0026 -0.0047 519 ILE 64 C -0.0158 -0.0022 -0.0049 520 ILE 64 O -0.0158 -0.0024 -0.0056 521 ILE 64 CB -0.0158 -0.0023 -0.0053 522 ILE 64 CG1 -0.0162 -0.0027 -0.0054 523 ILE 64 CG2 -0.0152 -0.0015 -0.0047 524 ILE 64 CD1 -0.0156 -0.0022 -0.0055 525 GLU 65 N -0.0155 -0.0016 -0.0055 526 GLU 65 CA -0.0143 -0.0009 -0.0052 527 GLU 65 C -0.0126 -0.0001 -0.0055 528 GLU 65 O -0.0123 0.0003 -0.0046 529 GLU 65 CB -0.0147 -0.0005 -0.0033 530 GLU 65 CG -0.0138 0.0001 -0.0032 531 GLU 65 CD -0.0144 0.0003 -0.0016 532 GLU 65 OE1 -0.0159 -0.0002 -0.0008 533 GLU 65 OE2 -0.0135 0.0010 -0.0010 534 ILE 66 N -0.0114 0.0020 -0.0057 535 ILE 66 CA -0.0108 0.0025 -0.0059 536 ILE 66 C -0.0098 0.0037 -0.0061 537 ILE 66 O -0.0090 0.0035 -0.0069 538 ILE 66 CB -0.0104 0.0015 -0.0068 539 ILE 66 CG1 -0.0114 0.0004 -0.0066 540 ILE 66 CG2 -0.0097 0.0021 -0.0070 541 ILE 66 CD1 -0.0110 -0.0008 -0.0075 542 CYS 67 N -0.0086 0.0046 -0.0055 543 CYS 67 CA -0.0065 0.0073 -0.0053 544 CYS 67 C -0.0054 0.0079 -0.0055 545 CYS 67 O -0.0028 0.0087 -0.0063 546 CYS 67 CB -0.0041 0.0070 -0.0065 547 CYS 67 SG -0.0017 0.0103 -0.0061 548 GLY 68 N -0.0073 0.0065 -0.0045 549 GLY 68 CA -0.0075 0.0071 -0.0039 550 GLY 68 C -0.0074 0.0056 -0.0054 551 GLY 68 O -0.0073 0.0060 -0.0050 552 HIS 69 N -0.0070 0.0064 -0.0064 553 HIS 69 CA -0.0061 0.0034 -0.0080 554 HIS 69 C -0.0087 0.0008 -0.0073 555 HIS 69 O -0.0102 0.0000 -0.0066 556 HIS 69 CB -0.0041 0.0023 -0.0098 557 HIS 69 CG -0.0011 0.0043 -0.0110 558 HIS 69 ND1 -0.0006 0.0075 -0.0101 559 HIS 69 CD2 0.0014 0.0036 -0.0130 560 HIS 69 CE1 0.0022 0.0087 -0.0115 561 HIS 69 NE2 0.0035 0.0063 -0.0133 562 LYS 70 N -0.0119 0.0006 -0.0060 563 LYS 70 CA -0.0133 -0.0003 -0.0062 564 LYS 70 C -0.0134 -0.0011 -0.0079 565 LYS 70 O -0.0129 -0.0013 -0.0089 566 LYS 70 CB -0.0146 -0.0006 -0.0054 567 LYS 70 CG -0.0148 0.0002 -0.0037 568 LYS 70 CD -0.0160 -0.0002 -0.0030 569 LYS 70 CE -0.0157 0.0006 -0.0017 570 LYS 70 NZ -0.0157 0.0013 -0.0004 571 ALA 71 N -0.0141 -0.0005 -0.0058 572 ALA 71 CA -0.0143 -0.0018 -0.0073 573 ALA 71 C -0.0162 -0.0028 -0.0071 574 ALA 71 O -0.0171 -0.0023 -0.0058 575 ALA 71 CB -0.0130 -0.0017 -0.0082 576 ILE 72 N -0.0201 -0.0023 -0.0071 577 ILE 72 CA -0.0211 -0.0026 -0.0073 578 ILE 72 C -0.0208 -0.0025 -0.0090 579 ILE 72 O -0.0209 -0.0025 -0.0101 580 ILE 72 CB -0.0228 -0.0032 -0.0071 581 ILE 72 CG1 -0.0231 -0.0033 -0.0053 582 ILE 72 CG2 -0.0237 -0.0035 -0.0077 583 ILE 72 CD1 -0.0247 -0.0039 -0.0050 584 GLY 73 N -0.0219 -0.0013 -0.0079 585 GLY 73 CA -0.0219 -0.0008 -0.0079 586 GLY 73 C -0.0216 -0.0007 -0.0074 587 GLY 73 O -0.0214 -0.0009 -0.0071 588 THR 74 N -0.0254 0.0024 -0.0061 589 THR 74 CA -0.0218 0.0041 -0.0064 590 THR 74 C -0.0194 0.0027 -0.0062 591 THR 74 O -0.0204 0.0027 -0.0062 592 THR 74 CB -0.0221 0.0083 -0.0072 593 THR 74 OG1 -0.0236 0.0094 -0.0074 594 THR 74 CG2 -0.0183 0.0101 -0.0076 595 VAL 75 N -0.0177 0.0034 -0.0054 596 VAL 75 CA -0.0158 0.0028 -0.0052 597 VAL 75 C -0.0132 0.0047 -0.0053 598 VAL 75 O -0.0121 0.0050 -0.0052 599 VAL 75 CB -0.0149 -0.0002 -0.0047 600 VAL 75 CG1 -0.0127 -0.0007 -0.0045 601 VAL 75 CG2 -0.0174 -0.0021 -0.0047 602 LEU 76 N -0.0135 0.0055 -0.0042 603 LEU 76 CA -0.0106 0.0073 -0.0045 604 LEU 76 C -0.0081 0.0052 -0.0045 605 LEU 76 O -0.0088 0.0032 -0.0043 606 LEU 76 CB -0.0113 0.0102 -0.0046 607 LEU 76 CG -0.0142 0.0122 -0.0046 608 LEU 76 CD1 -0.0146 0.0148 -0.0047 609 LEU 76 CD2 -0.0142 0.0135 -0.0047 610 VAL 77 N -0.0012 0.0083 -0.0033 611 VAL 77 CA 0.0018 0.0061 -0.0035 612 VAL 77 C 0.0046 0.0088 -0.0034 613 VAL 77 O 0.0060 0.0114 -0.0033 614 VAL 77 CB 0.0037 0.0036 -0.0036 615 VAL 77 CG1 0.0068 0.0012 -0.0038 616 VAL 77 CG2 0.0008 0.0010 -0.0037 617 GLY 78 N 0.0054 0.0078 -0.0032 618 GLY 78 CA 0.0090 0.0110 -0.0026 619 GLY 78 C 0.0089 0.0100 -0.0028 620 GLY 78 O 0.0064 0.0064 -0.0033 621 PRO 79 N 0.0125 0.0138 -0.0048 622 PRO 79 CA 0.0132 0.0108 -0.0056 623 PRO 79 C 0.0075 0.0107 -0.0041 624 PRO 79 O 0.0079 0.0128 -0.0038 625 PRO 79 CB 0.0184 0.0145 -0.0063 626 PRO 79 CG 0.0182 0.0207 -0.0051 627 PRO 79 CD 0.0153 0.0200 -0.0044 628 THR 80 N 0.0017 0.0066 -0.0009 629 THR 80 CA -0.0018 0.0057 -0.0001 630 THR 80 C -0.0016 0.0022 -0.0014 631 THR 80 O 0.0003 -0.0001 -0.0027 632 THR 80 CB -0.0049 0.0052 0.0006 633 THR 80 OG1 -0.0082 0.0038 0.0011 634 THR 80 CG2 -0.0040 0.0027 -0.0005 635 PRO 81 N -0.0019 0.0033 0.0006 636 PRO 81 CA -0.0025 -0.0001 -0.0014 637 PRO 81 C -0.0036 -0.0018 -0.0011 638 PRO 81 O -0.0037 -0.0043 -0.0032 639 PRO 81 CB -0.0042 -0.0020 -0.0003 640 PRO 81 CG -0.0052 -0.0001 0.0030 641 PRO 81 CD -0.0034 0.0034 0.0033 642 VAL 82 N -0.0095 -0.0006 0.0001 643 VAL 82 CA -0.0116 -0.0028 -0.0006 644 VAL 82 C -0.0123 -0.0029 -0.0007 645 VAL 82 O -0.0124 -0.0007 -0.0000 646 VAL 82 CB -0.0144 -0.0019 -0.0005 647 VAL 82 CG1 -0.0171 -0.0033 -0.0010 648 VAL 82 CG2 -0.0140 -0.0026 -0.0007 649 ASN 83 N -0.0127 -0.0024 -0.0006 650 ASN 83 CA -0.0129 -0.0027 -0.0008 651 ASN 83 C -0.0143 -0.0023 -0.0007 652 ASN 83 O -0.0154 -0.0026 -0.0010 653 ASN 83 CB -0.0127 -0.0040 -0.0015 654 ASN 83 CG -0.0112 -0.0046 -0.0017 655 ASN 83 OD1 -0.0102 -0.0041 -0.0013 656 ASN 83 ND2 -0.0112 -0.0057 -0.0023 657 ILE 84 N -0.0165 -0.0019 -0.0015 658 ILE 84 N -0.0164 -0.0019 -0.0015 659 ILE 84 CA -0.0167 -0.0018 -0.0014 660 ILE 84 CA -0.0167 -0.0018 -0.0014 661 ILE 84 C -0.0165 -0.0019 -0.0015 662 ILE 84 C -0.0165 -0.0019 -0.0015 663 ILE 84 O -0.0162 -0.0019 -0.0013 664 ILE 84 O -0.0161 -0.0019 -0.0014 665 ILE 84 CB -0.0169 -0.0016 -0.0010 666 ILE 84 CB -0.0167 -0.0016 -0.0010 667 ILE 84 CG1 -0.0166 -0.0016 -0.0007 668 ILE 84 CG1 -0.0170 -0.0015 -0.0008 669 ILE 84 CG2 -0.0172 -0.0016 -0.0010 670 ILE 84 CG2 -0.0168 -0.0016 -0.0008 671 ILE 84 CD1 -0.0167 -0.0014 -0.0003 672 ILE 84 CD1 -0.0169 -0.0014 -0.0004 673 ILE 85 N -0.0154 -0.0013 -0.0017 674 ILE 85 CA -0.0144 -0.0015 -0.0019 675 ILE 85 C -0.0140 -0.0020 -0.0016 676 ILE 85 O -0.0142 -0.0019 -0.0017 677 ILE 85 CB -0.0140 -0.0008 -0.0027 678 ILE 85 CG1 -0.0144 -0.0002 -0.0031 679 ILE 85 CG2 -0.0129 -0.0011 -0.0030 680 ILE 85 CD1 -0.0143 -0.0005 -0.0029 681 GLY 86 N -0.0154 -0.0030 -0.0014 682 GLY 86 CA -0.0148 -0.0042 -0.0009 683 GLY 86 C -0.0131 -0.0043 -0.0013 684 GLY 86 O -0.0124 -0.0036 -0.0020 685 ARG 87 N -0.0130 -0.0086 0.0001 686 ARG 87 CA -0.0076 -0.0090 -0.0009 687 ARG 87 C -0.0063 -0.0090 -0.0011 688 ARG 87 O -0.0023 -0.0073 -0.0021 689 ARG 87 CB -0.0053 -0.0136 -0.0006 690 ARG 87 CG -0.0060 -0.0137 -0.0004 691 ARG 87 CD -0.0031 -0.0182 -0.0003 692 ARG 87 NE -0.0052 -0.0229 0.0009 693 ARG 87 CZ -0.0033 -0.0260 0.0010 694 ARG 87 NH1 0.0008 -0.0250 0.0001 695 ARG 87 NH2 -0.0056 -0.0302 0.0022 696 ASN 88 N -0.0127 -0.0064 -0.0051 697 ASN 88 CA -0.0127 -0.0061 -0.0051 698 ASN 88 C -0.0124 -0.0038 -0.0050 699 ASN 88 O -0.0115 -0.0033 -0.0050 700 ASN 88 CB -0.0147 -0.0070 -0.0051 701 ASN 88 CG -0.0166 -0.0055 -0.0049 702 ASN 88 OD1 -0.0172 -0.0051 -0.0049 703 ASN 88 ND2 -0.0176 -0.0049 -0.0048 704 LEU 89 N -0.0117 -0.0057 -0.0077 705 LEU 89 CA -0.0114 -0.0035 -0.0071 706 LEU 89 C -0.0092 -0.0022 -0.0074 707 LEU 89 O -0.0083 -0.0008 -0.0072 708 LEU 89 CB -0.0134 -0.0022 -0.0061 709 LEU 89 CG -0.0156 -0.0031 -0.0057 710 LEU 89 CD1 -0.0175 -0.0016 -0.0046 711 LEU 89 CD2 -0.0155 -0.0035 -0.0058 712 LEU 90 N -0.0052 -0.0056 -0.0064 713 LEU 90 CA -0.0028 -0.0036 -0.0075 714 LEU 90 C 0.0007 -0.0045 -0.0087 715 LEU 90 O 0.0028 -0.0021 -0.0097 716 LEU 90 CB -0.0031 -0.0044 -0.0073 717 LEU 90 CG -0.0064 -0.0031 -0.0061 718 LEU 90 CD1 -0.0063 -0.0043 -0.0061 719 LEU 90 CD2 -0.0070 0.0010 -0.0062 720 THR 91 N 0.0012 -0.0057 -0.0106 721 THR 91 CA 0.0053 -0.0068 -0.0116 722 THR 91 C 0.0065 -0.0041 -0.0123 723 THR 91 O 0.0099 -0.0027 -0.0135 724 THR 91 CB 0.0060 -0.0114 -0.0112 725 THR 91 OG1 0.0031 -0.0127 -0.0101 726 THR 91 CG2 0.0057 -0.0140 -0.0107 727 GLN 92 N -0.0009 -0.0032 -0.0127 728 GLN 92 CA -0.0017 -0.0024 -0.0118 729 GLN 92 C -0.0005 0.0005 -0.0108 730 GLN 92 O -0.0003 0.0013 -0.0104 731 GLN 92 CB -0.0047 -0.0031 -0.0105 732 GLN 92 CG -0.0059 -0.0057 -0.0113 733 GLN 92 CD -0.0086 -0.0070 -0.0105 734 GLN 92 OE1 -0.0094 -0.0095 -0.0115 735 GLN 92 NE2 -0.0101 -0.0055 -0.0088 736 ILE 93 N -0.0006 -0.0036 -0.0138 737 ILE 93 CA 0.0004 -0.0004 -0.0135 738 ILE 93 C 0.0036 0.0000 -0.0147 739 ILE 93 O 0.0048 0.0026 -0.0146 740 ILE 93 CB -0.0016 0.0017 -0.0121 741 ILE 93 CG1 -0.0016 0.0011 -0.0123 742 ILE 93 CG2 -0.0048 0.0012 -0.0109 743 ILE 93 CD1 -0.0034 0.0031 -0.0110 744 GLY 94 N 0.0078 0.0008 -0.0161 745 GLY 94 CA 0.0127 0.0005 -0.0172 746 GLY 94 C 0.0134 0.0011 -0.0172 747 GLY 94 O 0.0171 0.0029 -0.0175 748 CYS 95 N 0.0113 0.0002 -0.0148 749 CYS 95 CA 0.0109 0.0007 -0.0147 750 CYS 95 C 0.0130 -0.0022 -0.0155 751 CYS 95 O 0.0126 -0.0055 -0.0157 752 CYS 95 CB 0.0069 0.0005 -0.0139 753 CYS 95 SG 0.0063 0.0020 -0.0136 754 THR 96 N 0.0164 -0.0021 -0.0174 755 THR 96 CA 0.0183 -0.0045 -0.0176 756 THR 96 C 0.0164 -0.0034 -0.0172 757 THR 96 O 0.0149 0.0001 -0.0173 758 THR 96 CB 0.0230 -0.0040 -0.0191 759 THR 96 OG1 0.0238 0.0003 -0.0201 760 THR 96 CG2 0.0250 -0.0051 -0.0195 761 LEU 97 N 0.0172 -0.0072 -0.0157 762 LEU 97 CA 0.0152 -0.0059 -0.0154 763 LEU 97 C 0.0183 -0.0051 -0.0172 764 LEU 97 O 0.0215 -0.0075 -0.0177 765 LEU 97 CB 0.0130 -0.0091 -0.0129 766 LEU 97 CG 0.0088 -0.0094 -0.0107 767 LEU 97 CD1 0.0078 -0.0132 -0.0085 768 LEU 97 CD2 0.0059 -0.0057 -0.0110 769 ASN 98 N 0.0185 -0.0036 -0.0183 770 ASN 98 CA 0.0216 -0.0027 -0.0196 771 ASN 98 C 0.0196 -0.0021 -0.0193 772 ASN 98 O 0.0165 0.0002 -0.0193 773 ASN 98 CB 0.0234 0.0013 -0.0217 774 ASN 98 CG 0.0244 0.0017 -0.0221 775 ASN 98 OD1 0.0218 0.0033 -0.0221 776 ASN 98 ND2 0.0282 0.0003 -0.0226 777 PHE 99 N 0.0167 -0.0031 -0.0192 778 PHE 99 CA 0.0143 -0.0017 -0.0191 779 PHE 99 C 0.0167 -0.0025 -0.0198 780 PHE 99 O 0.0155 -0.0013 -0.0200 781 PHE 99 CB 0.0107 -0.0030 -0.0161 782 PHE 99 CG 0.0117 -0.0068 -0.0137 783 PHE 99 CD1 0.0128 -0.0092 -0.0123 784 PHE 99 CD2 0.0115 -0.0078 -0.0127 785 PHE 99 CE1 0.0138 -0.0127 -0.0100 786 PHE 99 CE2 0.0125 -0.0113 -0.0104 787 PHE 99 CZ 0.0136 -0.0137 -0.0091 788 PHE 99 OXT 0.0201 -0.0043 -0.0200 789 PRO 1 N 0.0277 -0.0107 -0.0189 790 PRO 1 CA 0.0317 -0.0117 -0.0206 791 PRO 1 C 0.0305 -0.0109 -0.0205 792 PRO 1 O 0.0265 -0.0094 -0.0192 793 PRO 1 CB 0.0339 -0.0164 -0.0184 794 PRO 1 CG 0.0299 -0.0181 -0.0147 795 PRO 1 CD 0.0263 -0.0145 -0.0152 796 GLN 2 N 0.0353 -0.0108 -0.0214 797 GLN 2 CA 0.0333 -0.0098 -0.0211 798 GLN 2 C 0.0328 -0.0141 -0.0192 799 GLN 2 O 0.0358 -0.0172 -0.0189 800 GLN 2 CB 0.0364 -0.0071 -0.0232 801 GLN 2 CG 0.0342 -0.0053 -0.0232 802 GLN 2 CD 0.0377 -0.0044 -0.0248 803 GLN 2 OE1 0.0400 -0.0075 -0.0243 804 GLN 2 NE2 0.0380 -0.0002 -0.0266 805 ILE 3 N 0.0269 -0.0121 -0.0186 806 ILE 3 CA 0.0260 -0.0157 -0.0163 807 ILE 3 C 0.0254 -0.0152 -0.0163 808 ILE 3 O 0.0226 -0.0126 -0.0165 809 ILE 3 CB 0.0220 -0.0168 -0.0140 810 ILE 3 CG1 0.0225 -0.0174 -0.0139 811 ILE 3 CG2 0.0208 -0.0204 -0.0116 812 ILE 3 CD1 0.0185 -0.0171 -0.0125 813 THR 4 N 0.0284 -0.0159 -0.0169 814 THR 4 CA 0.0264 -0.0164 -0.0160 815 THR 4 C 0.0225 -0.0193 -0.0136 816 THR 4 O 0.0217 -0.0213 -0.0128 817 THR 4 CB 0.0296 -0.0188 -0.0168 818 THR 4 OG1 0.0318 -0.0227 -0.0168 819 THR 4 CG2 0.0330 -0.0156 -0.0190 820 LEU 5 N 0.0173 -0.0167 -0.0113 821 LEU 5 CA 0.0132 -0.0185 -0.0098 822 LEU 5 C 0.0126 -0.0220 -0.0091 823 LEU 5 O 0.0091 -0.0230 -0.0078 824 LEU 5 CB 0.0099 -0.0149 -0.0093 825 LEU 5 CG 0.0096 -0.0120 -0.0096 826 LEU 5 CD1 0.0072 -0.0078 -0.0095 827 LEU 5 CD2 0.0076 -0.0144 -0.0087 828 TRP 6 N 0.0180 -0.0262 -0.0116 829 TRP 6 CA 0.0175 -0.0309 -0.0111 830 TRP 6 C 0.0156 -0.0353 -0.0100 831 TRP 6 O 0.0132 -0.0386 -0.0088 832 TRP 6 CB 0.0223 -0.0326 -0.0132 833 TRP 6 CG 0.0240 -0.0284 -0.0142 834 TRP 6 CD1 0.0272 -0.0248 -0.0158 835 TRP 6 CD2 0.0224 -0.0272 -0.0135 836 TRP 6 NE1 0.0278 -0.0215 -0.0163 837 TRP 6 CE2 0.0249 -0.0229 -0.0149 838 TRP 6 CE3 0.0192 -0.0294 -0.0120 839 TRP 6 CZ2 0.0242 -0.0207 -0.0147 840 TRP 6 CZ3 0.0185 -0.0272 -0.0118 841 TRP 6 CH2 0.0210 -0.0229 -0.0132 842 GLN 7 N 0.0170 -0.0372 -0.0089 843 GLN 7 CA 0.0140 -0.0421 -0.0066 844 GLN 7 CA 0.0140 -0.0420 -0.0065 845 GLN 7 C 0.0096 -0.0362 -0.0044 846 GLN 7 O 0.0103 -0.0285 -0.0056 847 GLN 7 CB 0.0200 -0.0472 -0.0097 848 GLN 7 CB 0.0199 -0.0469 -0.0097 849 GLN 7 CG 0.0262 -0.0420 -0.0141 850 GLN 7 CG 0.0239 -0.0536 -0.0115 851 GLN 7 CD 0.0329 -0.0473 -0.0177 852 GLN 7 CD 0.0288 -0.0594 -0.0140 853 GLN 7 OE1 0.0342 -0.0544 -0.0178 854 GLN 7 OE1 0.0327 -0.0557 -0.0167 855 GLN 7 NE2 0.0372 -0.0437 -0.0207 856 GLN 7 NE2 0.0288 -0.0680 -0.0131 857 ARG 8 N 0.0079 -0.0342 -0.0002 858 ARG 8 CA 0.0055 -0.0316 0.0008 859 ARG 8 C 0.0083 -0.0294 -0.0011 860 ARG 8 O 0.0113 -0.0316 -0.0024 861 ARG 8 CB 0.0031 -0.0346 0.0026 862 ARG 8 CG -0.0007 -0.0357 0.0049 863 ARG 8 CD -0.0027 -0.0391 0.0065 864 ARG 8 NE -0.0070 -0.0388 0.0089 865 ARG 8 CZ -0.0090 -0.0419 0.0105 866 ARG 8 NH1 -0.0072 -0.0456 0.0100 867 ARG 8 NH2 -0.0128 -0.0413 0.0125 868 PRO 9 N 0.0073 -0.0267 -0.0023 869 PRO 9 CA 0.0086 -0.0246 -0.0040 870 PRO 9 C 0.0072 -0.0253 -0.0028 871 PRO 9 O 0.0049 -0.0231 -0.0024 872 PRO 9 CB 0.0074 -0.0207 -0.0049 873 PRO 9 CG 0.0042 -0.0207 -0.0029 874 PRO 9 CD 0.0047 -0.0244 -0.0016 875 LEU 10 N 0.0061 -0.0264 -0.0023 876 LEU 10 CA 0.0048 -0.0263 -0.0007 877 LEU 10 C 0.0055 -0.0248 -0.0029 878 LEU 10 O 0.0076 -0.0255 -0.0052 879 LEU 10 CB 0.0056 -0.0294 0.0012 880 LEU 10 CG 0.0046 -0.0310 0.0039 881 LEU 10 CD1 0.0060 -0.0344 0.0052 882 LEU 10 CD2 0.0018 -0.0294 0.0062 883 VAL 11 N 0.0018 -0.0214 0.0007 884 VAL 11 CA 0.0015 -0.0199 -0.0012 885 VAL 11 C 0.0008 -0.0188 -0.0000 886 VAL 11 O 0.0003 -0.0186 0.0022 887 VAL 11 CB 0.0009 -0.0180 -0.0025 888 VAL 11 CG1 0.0017 -0.0191 -0.0039 889 VAL 11 CG2 -0.0001 -0.0165 -0.0006 890 THR 12 N -0.0021 -0.0177 -0.0004 891 THR 12 CA -0.0024 -0.0155 -0.0001 892 THR 12 C -0.0028 -0.0132 0.0003 893 THR 12 O -0.0031 -0.0129 -0.0010 894 THR 12 CB -0.0029 -0.0152 -0.0023 895 THR 12 OG1 -0.0026 -0.0174 -0.0026 896 THR 12 CG2 -0.0033 -0.0130 -0.0020 897 ILE 13 N -0.0046 -0.0116 0.0031 898 ILE 13 CA -0.0054 -0.0097 0.0034 899 ILE 13 C -0.0060 -0.0081 0.0038 900 ILE 13 O -0.0057 -0.0085 0.0046 901 ILE 13 CB -0.0051 -0.0096 0.0051 902 ILE 13 CG1 -0.0047 -0.0097 0.0073 903 ILE 13 CG2 -0.0045 -0.0113 0.0047 904 ILE 13 CD1 -0.0046 -0.0093 0.0092 905 LYS 14 N -0.0071 -0.0073 0.0041 906 LYS 14 CA -0.0078 -0.0044 0.0046 907 LYS 14 C -0.0075 -0.0030 0.0060 908 LYS 14 O -0.0079 -0.0033 0.0052 909 LYS 14 CB -0.0097 -0.0034 0.0022 910 LYS 14 CG -0.0105 -0.0005 0.0027 911 LYS 14 CD -0.0124 0.0006 0.0003 912 LYS 14 CE -0.0131 0.0035 0.0009 913 LYS 14 NZ -0.0149 0.0045 -0.0014 914 ILE 15 N -0.0080 -0.0009 0.0065 915 ILE 15 CA -0.0071 -0.0001 0.0075 916 ILE 15 C -0.0068 0.0020 0.0083 917 ILE 15 O -0.0065 0.0025 0.0087 918 ILE 15 CB -0.0056 -0.0016 0.0086 919 ILE 15 CG1 -0.0047 -0.0009 0.0095 920 ILE 15 CG2 -0.0046 -0.0017 0.0095 921 ILE 15 CD1 -0.0033 -0.0022 0.0106 922 GLY 16 N -0.0067 0.0047 0.0081 923 GLY 16 CA -0.0061 0.0070 0.0080 924 GLY 16 C -0.0077 0.0089 0.0075 925 GLY 16 O -0.0070 0.0109 0.0075 926 GLY 17 N -0.0099 0.0076 0.0073 927 GLY 17 CA -0.0110 0.0085 0.0067 928 GLY 17 C -0.0102 0.0076 0.0071 929 GLY 17 O -0.0110 0.0084 0.0067 930 GLN 18 N -0.0090 0.0056 0.0073 931 GLN 18 CA -0.0079 0.0059 0.0076 932 GLN 18 C -0.0083 0.0035 0.0070 933 GLN 18 O -0.0082 0.0013 0.0065 934 GLN 18 CB -0.0050 0.0064 0.0084 935 GLN 18 CG -0.0044 0.0088 0.0091 936 GLN 18 CD -0.0015 0.0090 0.0099 937 GLN 18 OE1 -0.0001 0.0092 0.0103 938 GLN 18 NE2 -0.0006 0.0089 0.0102 939 LEU 19 N -0.0070 0.0003 0.0066 940 LEU 19 CA -0.0070 -0.0022 0.0056 941 LEU 19 C -0.0053 -0.0037 0.0070 942 LEU 19 O -0.0045 -0.0031 0.0081 943 LEU 19 CB -0.0081 -0.0024 0.0041 944 LEU 19 CG -0.0099 -0.0008 0.0027 945 LEU 19 CD1 -0.0109 -0.0011 0.0013 946 LEU 19 CD2 -0.0107 -0.0011 0.0016 947 LYS 20 N -0.0051 -0.0050 0.0058 948 LYS 20 CA -0.0039 -0.0064 0.0072 949 LYS 20 C -0.0039 -0.0087 0.0062 950 LYS 20 O -0.0047 -0.0090 0.0047 951 LYS 20 CB -0.0031 -0.0059 0.0088 952 LYS 20 CG -0.0030 -0.0037 0.0100 953 LYS 20 CD -0.0022 -0.0032 0.0114 954 LYS 20 CE -0.0020 -0.0012 0.0127 955 LYS 20 NZ -0.0013 -0.0015 0.0138 956 GLU 21 N -0.0027 -0.0144 0.0086 957 GLU 21 CA -0.0018 -0.0160 0.0075 958 GLU 21 C -0.0027 -0.0152 0.0096 959 GLU 21 O -0.0035 -0.0151 0.0125 960 GLU 21 CB -0.0007 -0.0196 0.0080 961 GLU 21 CG 0.0003 -0.0209 0.0058 962 GLU 21 CD 0.0015 -0.0222 0.0029 963 GLU 21 OE1 0.0014 -0.0212 0.0020 964 GLU 21 OE2 0.0026 -0.0242 0.0016 965 ALA 22 N -0.0035 -0.0160 0.0076 966 ALA 22 CA -0.0040 -0.0154 0.0086 967 ALA 22 C -0.0030 -0.0168 0.0069 968 ALA 22 O -0.0023 -0.0173 0.0043 969 ALA 22 CB -0.0056 -0.0125 0.0083 970 LEU 23 N -0.0045 -0.0189 0.0053 971 LEU 23 CA -0.0041 -0.0196 0.0049 972 LEU 23 C -0.0044 -0.0172 0.0042 973 LEU 23 O -0.0055 -0.0155 0.0055 974 LEU 23 CB -0.0049 -0.0212 0.0071 975 LEU 23 CG -0.0047 -0.0224 0.0074 976 LEU 23 CD1 -0.0034 -0.0246 0.0059 977 LEU 23 CD2 -0.0058 -0.0233 0.0100 978 LEU 24 N -0.0010 -0.0191 0.0022 979 LEU 24 CA -0.0016 -0.0163 0.0010 980 LEU 24 C -0.0027 -0.0158 0.0015 981 LEU 24 O -0.0015 -0.0167 0.0011 982 LEU 24 CB 0.0007 -0.0154 -0.0013 983 LEU 24 CG 0.0022 -0.0159 -0.0021 984 LEU 24 CD1 0.0045 -0.0150 -0.0043 985 LEU 24 CD2 0.0007 -0.0144 -0.0019 986 ASP 25 N -0.0047 -0.0145 0.0039 987 ASP 25 CA -0.0058 -0.0145 0.0048 988 ASP 25 C -0.0065 -0.0126 0.0046 989 ASP 25 O -0.0076 -0.0116 0.0052 990 ASP 25 CB -0.0070 -0.0154 0.0063 991 ASP 25 CG -0.0080 -0.0157 0.0073 992 ASP 25 OD1 -0.0079 -0.0151 0.0070 993 ASP 25 OD2 -0.0090 -0.0167 0.0085 994 THR 26 N -0.0055 -0.0100 0.0015 995 THR 26 CA -0.0063 -0.0072 0.0011 996 THR 26 C -0.0090 -0.0067 0.0025 997 THR 26 O -0.0101 -0.0043 0.0024 998 THR 26 CB -0.0045 -0.0062 -0.0003 999 THR 26 OG1 -0.0045 -0.0078 0.0002 1000 THR 26 CG2 -0.0019 -0.0066 -0.0017 1001 GLY 27 N -0.0105 -0.0082 0.0037 1002 GLY 27 CA -0.0123 -0.0081 0.0052 1003 GLY 27 C -0.0138 -0.0077 0.0063 1004 GLY 27 O -0.0154 -0.0075 0.0075 1005 ALA 28 N -0.0098 -0.0093 0.0094 1006 ALA 28 CA -0.0111 -0.0099 0.0099 1007 ALA 28 C -0.0114 -0.0088 0.0094 1008 ALA 28 O -0.0102 -0.0084 0.0091 1009 ALA 28 CB -0.0104 -0.0116 0.0105 1010 ASP 29 N -0.0131 -0.0068 0.0109 1011 ASP 29 CA -0.0127 -0.0049 0.0109 1012 ASP 29 C -0.0111 -0.0068 0.0106 1013 ASP 29 O -0.0090 -0.0056 0.0104 1014 ASP 29 CB -0.0158 -0.0039 0.0113 1015 ASP 29 CG -0.0174 -0.0016 0.0116 1016 ASP 29 OD1 -0.0160 -0.0003 0.0114 1017 ASP 29 OD2 -0.0202 -0.0011 0.0119 1018 ASP 30 N -0.0079 -0.0115 0.0144 1019 ASP 30 N -0.0079 -0.0114 0.0144 1020 ASP 30 CA -0.0080 -0.0099 0.0139 1021 ASP 30 CA -0.0081 -0.0098 0.0138 1022 ASP 30 C -0.0087 -0.0098 0.0129 1023 ASP 30 C -0.0085 -0.0096 0.0131 1024 ASP 30 O -0.0088 -0.0108 0.0129 1025 ASP 30 O -0.0084 -0.0104 0.0135 1026 ASP 30 CB -0.0071 -0.0088 0.0151 1027 ASP 30 CB -0.0073 -0.0086 0.0148 1028 ASP 30 CG -0.0064 -0.0091 0.0163 1029 ASP 30 CG -0.0070 -0.0086 0.0153 1030 ASP 30 OD1 -0.0066 -0.0095 0.0161 1031 ASP 30 OD1 -0.0075 -0.0085 0.0145 1032 ASP 30 OD2 -0.0057 -0.0090 0.0174 1033 ASP 30 OD2 -0.0062 -0.0086 0.0166 1034 THR 31 N -0.0073 -0.0103 0.0144 1035 THR 31 CA -0.0075 -0.0100 0.0140 1036 THR 31 C -0.0071 -0.0093 0.0152 1037 THR 31 O -0.0070 -0.0083 0.0159 1038 THR 31 CB -0.0083 -0.0092 0.0129 1039 THR 31 OG1 -0.0087 -0.0100 0.0118 1040 THR 31 CG2 -0.0086 -0.0086 0.0126 1041 VAL 32 N -0.0059 -0.0076 0.0162 1042 VAL 32 CA -0.0051 -0.0065 0.0168 1043 VAL 32 C -0.0058 -0.0059 0.0161 1044 VAL 32 O -0.0063 -0.0069 0.0157 1045 VAL 32 CB -0.0041 -0.0074 0.0178 1046 VAL 32 CG1 -0.0030 -0.0062 0.0186 1047 VAL 32 CG2 -0.0036 -0.0087 0.0183 1048 LEU 33 N -0.0035 -0.0054 0.0154 1049 LEU 33 CA -0.0045 -0.0043 0.0145 1050 LEU 33 C -0.0034 -0.0031 0.0145 1051 LEU 33 O -0.0020 -0.0026 0.0151 1052 LEU 33 CB -0.0052 -0.0032 0.0137 1053 LEU 33 CG -0.0063 -0.0041 0.0135 1054 LEU 33 CD1 -0.0071 -0.0029 0.0127 1055 LEU 33 CD2 -0.0076 -0.0055 0.0134 1056 GLU 34 N -0.0028 -0.0018 0.0137 1057 GLU 34 CA -0.0018 -0.0003 0.0142 1058 GLU 34 C -0.0019 0.0014 0.0142 1059 GLU 34 O -0.0030 0.0016 0.0138 1060 GLU 34 CB -0.0023 0.0002 0.0140 1061 GLU 34 CG -0.0023 -0.0014 0.0139 1062 GLU 34 CD -0.0029 -0.0009 0.0137 1063 GLU 34 OE1 -0.0021 0.0004 0.0141 1064 GLU 34 OE2 -0.0041 -0.0018 0.0132 1065 GLU 35 N 0.0007 0.0046 0.0097 1066 GLU 35 CA 0.0027 0.0059 0.0084 1067 GLU 35 C 0.0016 0.0066 0.0076 1068 GLU 35 O -0.0008 0.0074 0.0067 1069 GLU 35 CB 0.0037 0.0076 0.0065 1070 GLU 35 CG 0.0066 0.0085 0.0055 1071 GLU 35 CD 0.0091 0.0070 0.0072 1072 GLU 35 OE1 0.0095 0.0059 0.0084 1073 GLU 35 OE2 0.0106 0.0070 0.0073 1074 MET 36 N 0.0032 0.0069 0.0070 1075 MET 36 CA 0.0024 0.0079 0.0060 1076 MET 36 C 0.0051 0.0084 0.0061 1077 MET 36 O 0.0073 0.0074 0.0074 1078 MET 36 CB -0.0000 0.0064 0.0069 1079 MET 36 CG 0.0008 0.0042 0.0091 1080 MET 36 SD -0.0019 0.0027 0.0099 1081 MET 36 CE -0.0021 0.0047 0.0081 1082 ASN 37 N 0.0057 0.0105 0.0051 1083 ASN 37 CA 0.0072 0.0109 0.0051 1084 ASN 37 C 0.0064 0.0094 0.0059 1085 ASN 37 O 0.0045 0.0094 0.0054 1086 ASN 37 CB 0.0070 0.0131 0.0037 1087 ASN 37 CG 0.0088 0.0148 0.0031 1088 ASN 37 OD1 0.0099 0.0144 0.0037 1089 ASN 37 ND2 0.0090 0.0167 0.0020 1090 LEU 38 N 0.0058 0.0107 0.0036 1091 LEU 38 CA 0.0060 0.0092 0.0051 1092 LEU 38 C 0.0096 0.0107 0.0047 1093 LEU 38 O 0.0127 0.0114 0.0051 1094 LEU 38 CB 0.0060 0.0059 0.0081 1095 LEU 38 CG 0.0020 0.0040 0.0087 1096 LEU 38 CD1 0.0023 0.0008 0.0117 1097 LEU 38 CD2 -0.0008 0.0045 0.0074 1098 PRO 39 N 0.0085 0.0133 0.0044 1099 PRO 39 CA 0.0113 0.0142 0.0040 1100 PRO 39 C 0.0138 0.0111 0.0057 1101 PRO 39 O 0.0125 0.0081 0.0073 1102 PRO 39 CB 0.0086 0.0154 0.0034 1103 PRO 39 CG 0.0047 0.0138 0.0041 1104 PRO 39 CD 0.0044 0.0127 0.0047 1105 GLY 40 N 0.0250 0.0125 0.0004 1106 GLY 40 CA 0.0316 0.0041 0.0034 1107 GLY 40 C 0.0375 0.0030 -0.0001 1108 GLY 40 O 0.0382 0.0091 -0.0063 1109 ARG 41 N 0.0549 -0.0091 0.0063 1110 ARG 41 CA 0.0593 -0.0107 0.0038 1111 ARG 41 C 0.0364 -0.0014 0.0138 1112 ARG 41 O 0.0233 0.0004 0.0348 1113 ARG 41 CB 0.0803 -0.0250 0.0203 1114 ARG 41 CG 0.1056 -0.0355 0.0106 1115 ARG 41 CD 0.1184 -0.0371 -0.0115 1116 ARG 41 NE 0.1399 -0.0447 -0.0257 1117 ARG 41 CZ 0.1388 -0.0402 -0.0434 1118 ARG 41 NH1 0.1170 -0.0279 -0.0493 1119 ARG 41 NH2 0.1596 -0.0480 -0.0552 1120 TRP 42 N 0.0377 0.0011 0.0055 1121 TRP 42 CA 0.0337 -0.0008 0.0085 1122 TRP 42 C 0.0368 -0.0015 0.0113 1123 TRP 42 O 0.0417 -0.0004 0.0103 1124 TRP 42 CB 0.0287 0.0001 0.0048 1125 TRP 42 CG 0.0306 0.0024 0.0001 1126 TRP 42 CD1 0.0319 0.0046 -0.0046 1127 TRP 42 CD2 0.0312 0.0027 -0.0005 1128 TRP 42 NE1 0.0334 0.0064 -0.0081 1129 TRP 42 CE2 0.0330 0.0053 -0.0057 1130 TRP 42 CE3 0.0305 0.0012 0.0028 1131 TRP 42 CZ2 0.0341 0.0063 -0.0076 1132 TRP 42 CZ3 0.0315 0.0022 0.0009 1133 TRP 42 CH2 0.0333 0.0047 -0.0043 1134 LYS 43 N 0.0350 -0.0023 0.0137 1135 LYS 43 CA 0.0364 -0.0028 0.0163 1136 LYS 43 C 0.0291 -0.0022 0.0153 1137 LYS 43 O 0.0228 -0.0020 0.0166 1138 LYS 43 CB 0.0387 -0.0046 0.0246 1139 LYS 43 CG 0.0461 -0.0055 0.0265 1140 LYS 43 CD 0.0532 -0.0056 0.0247 1141 LYS 43 CE 0.0606 -0.0064 0.0264 1142 LYS 43 NZ 0.0612 -0.0056 0.0220 1143 PRO 44 N 0.0322 -0.0026 0.0135 1144 PRO 44 CA 0.0291 -0.0022 0.0131 1145 PRO 44 C 0.0273 -0.0042 0.0174 1146 PRO 44 O 0.0298 -0.0058 0.0205 1147 PRO 44 CB 0.0322 -0.0015 0.0112 1148 PRO 44 CG 0.0365 -0.0010 0.0097 1149 PRO 44 CD 0.0371 -0.0023 0.0124 1150 LYS 45 N 0.0204 -0.0036 0.0168 1151 LYS 45 CA 0.0192 -0.0050 0.0189 1152 LYS 45 C 0.0171 -0.0056 0.0186 1153 LYS 45 O 0.0161 -0.0050 0.0167 1154 LYS 45 CB 0.0181 -0.0055 0.0191 1155 LYS 45 CG 0.0182 -0.0068 0.0216 1156 LYS 45 CD 0.0161 -0.0076 0.0218 1157 LYS 45 CE 0.0157 -0.0090 0.0243 1158 LYS 45 NZ 0.0133 -0.0098 0.0244 1159 MET 46 N 0.0180 -0.0095 0.0164 1160 MET 46 CA 0.0159 -0.0080 0.0159 1161 MET 46 C 0.0133 -0.0092 0.0186 1162 MET 46 O 0.0141 -0.0116 0.0207 1163 MET 46 CB 0.0180 -0.0076 0.0144 1164 MET 46 CG 0.0198 -0.0057 0.0114 1165 MET 46 SD 0.0213 -0.0045 0.0093 1166 MET 46 CE 0.0258 -0.0062 0.0087 1167 ILE 47 N 0.0085 -0.0091 0.0183 1168 ILE 47 CA 0.0066 -0.0099 0.0198 1169 ILE 47 C 0.0059 -0.0085 0.0193 1170 ILE 47 O 0.0058 -0.0065 0.0179 1171 ILE 47 CB 0.0042 -0.0097 0.0209 1172 ILE 47 CG1 0.0031 -0.0072 0.0198 1173 ILE 47 CG2 0.0048 -0.0114 0.0218 1174 ILE 47 CD1 0.0005 -0.0067 0.0208 1175 GLY 48 N 0.0049 -0.0103 0.0173 1176 GLY 48 CA 0.0044 -0.0085 0.0166 1177 GLY 48 C -0.0008 -0.0083 0.0185 1178 GLY 48 O -0.0035 -0.0113 0.0211 1179 GLY 49 N -0.0030 -0.0068 0.0150 1180 GLY 49 CA -0.0072 -0.0045 0.0180 1181 GLY 49 C -0.0067 -0.0009 0.0156 1182 GLY 49 O -0.0030 -0.0018 0.0123 1183 ILE 50 N -0.0107 0.0055 0.0116 1184 ILE 50 CA -0.0075 0.0088 0.0102 1185 ILE 50 C -0.0050 0.0131 0.0094 1186 ILE 50 O -0.0072 0.0157 0.0115 1187 ILE 50 CB -0.0102 0.0112 0.0126 1188 ILE 50 CG1 -0.0087 0.0096 0.0112 1189 ILE 50 CG2 -0.0101 0.0173 0.0140 1190 ILE 50 CD1 -0.0120 0.0107 0.0137 1191 GLY 51 N 0.0011 0.0140 0.0052 1192 GLY 51 CA 0.0040 0.0189 0.0033 1193 GLY 51 C 0.0065 0.0158 0.0010 1194 GLY 51 O 0.0097 0.0192 -0.0013 1195 GLY 52 N 0.0037 0.0095 0.0067 1196 GLY 52 CA 0.0068 0.0059 0.0044 1197 GLY 52 C 0.0052 0.0027 0.0069 1198 GLY 52 O 0.0019 0.0013 0.0108 1199 PHE 53 N 0.0093 0.0022 0.0088 1200 PHE 53 CA 0.0097 0.0004 0.0096 1201 PHE 53 CA 0.0096 0.0004 0.0096 1202 PHE 53 C 0.0091 0.0029 0.0086 1203 PHE 53 O 0.0097 0.0058 0.0065 1204 PHE 53 CB 0.0132 -0.0021 0.0085 1205 PHE 53 CB 0.0130 -0.0024 0.0089 1206 PHE 53 CG 0.0158 -0.0003 0.0057 1207 PHE 53 CG 0.0133 -0.0057 0.0105 1208 PHE 53 CD1 0.0176 0.0009 0.0038 1209 PHE 53 CD1 0.0131 -0.0089 0.0124 1210 PHE 53 CD2 0.0166 0.0002 0.0049 1211 PHE 53 CD2 0.0136 -0.0056 0.0102 1212 PHE 53 CE1 0.0200 0.0025 0.0012 1213 PHE 53 CE1 0.0134 -0.0120 0.0140 1214 PHE 53 CE2 0.0190 0.0019 0.0022 1215 PHE 53 CE2 0.0139 -0.0087 0.0118 1216 PHE 53 CZ 0.0207 0.0031 0.0004 1217 PHE 53 CZ 0.0137 -0.0118 0.0136 1218 ILE 54 N 0.0063 -0.0013 0.0130 1219 ILE 54 CA 0.0068 -0.0008 0.0117 1220 ILE 54 C 0.0088 -0.0027 0.0120 1221 ILE 54 O 0.0092 -0.0044 0.0137 1222 ILE 54 CB 0.0048 0.0004 0.0124 1223 ILE 54 CG1 0.0039 -0.0008 0.0150 1224 ILE 54 CG2 0.0030 0.0026 0.0116 1225 ILE 54 CD1 0.0025 -0.0001 0.0157 1226 LYS 55 N 0.0105 -0.0005 0.0117 1227 LYS 55 CA 0.0125 -0.0019 0.0117 1228 LYS 55 C 0.0104 -0.0015 0.0126 1229 LYS 55 O 0.0084 0.0008 0.0118 1230 LYS 55 CB 0.0150 -0.0007 0.0091 1231 LYS 55 CG 0.0177 -0.0015 0.0082 1232 LYS 55 CD 0.0202 -0.0003 0.0056 1233 LYS 55 CE 0.0189 0.0028 0.0038 1234 LYS 55 NZ 0.0213 0.0040 0.0013 1235 VAL 56 N 0.0115 -0.0017 0.0135 1236 VAL 56 CA 0.0102 -0.0015 0.0132 1237 VAL 56 C 0.0127 -0.0014 0.0130 1238 VAL 56 O 0.0153 -0.0019 0.0136 1239 VAL 56 CB 0.0080 -0.0030 0.0153 1240 VAL 56 CG1 0.0051 -0.0029 0.0154 1241 VAL 56 CG2 0.0095 -0.0049 0.0178 1242 ARG 57 N 0.0137 0.0023 0.0106 1243 ARG 57 CA 0.0162 0.0009 0.0110 1244 ARG 57 C 0.0149 -0.0010 0.0143 1245 ARG 57 O 0.0119 -0.0003 0.0154 1246 ARG 57 CB 0.0165 0.0025 0.0086 1247 ARG 57 CG 0.0181 0.0042 0.0053 1248 ARG 57 CD 0.0179 0.0061 0.0029 1249 ARG 57 NE 0.0144 0.0073 0.0035 1250 ARG 57 CZ 0.0136 0.0086 0.0022 1251 ARG 57 NH1 0.0161 0.0089 0.0002 1252 ARG 57 NH2 0.0104 0.0097 0.0029 1253 GLN 58 N 0.0180 -0.0018 0.0167 1254 GLN 58 CA 0.0171 -0.0036 0.0189 1255 GLN 58 C 0.0177 -0.0036 0.0188 1256 GLN 58 O 0.0203 -0.0039 0.0182 1257 GLN 58 CB 0.0186 -0.0056 0.0207 1258 GLN 58 CG 0.0176 -0.0075 0.0232 1259 GLN 58 CD 0.0193 -0.0095 0.0250 1260 GLN 58 OE1 0.0197 -0.0098 0.0252 1261 GLN 58 NE2 0.0202 -0.0110 0.0263 1262 TYR 59 N 0.0137 -0.0035 0.0182 1263 TYR 59 CA 0.0138 -0.0028 0.0176 1264 TYR 59 C 0.0127 -0.0052 0.0202 1265 TYR 59 O 0.0095 -0.0065 0.0212 1266 TYR 59 CB 0.0110 -0.0008 0.0149 1267 TYR 59 CG 0.0121 0.0018 0.0121 1268 TYR 59 CD1 0.0143 0.0037 0.0101 1269 TYR 59 CD2 0.0109 0.0025 0.0112 1270 TYR 59 CE1 0.0153 0.0061 0.0075 1271 TYR 59 CE2 0.0119 0.0049 0.0086 1272 TYR 59 CZ 0.0141 0.0067 0.0067 1273 TYR 59 OH 0.0150 0.0091 0.0041 1274 ASP 60 N 0.0187 -0.0031 0.0184 1275 ASP 60 CA 0.0173 -0.0066 0.0209 1276 ASP 60 C 0.0142 -0.0053 0.0187 1277 ASP 60 O 0.0147 -0.0013 0.0155 1278 ASP 60 CB 0.0225 -0.0081 0.0240 1279 ASP 60 CG 0.0254 -0.0099 0.0265 1280 ASP 60 OD1 0.0226 -0.0122 0.0275 1281 ASP 60 OD2 0.0305 -0.0089 0.0274 1282 GLN 61 N 0.0048 -0.0067 0.0146 1283 GLN 61 CA 0.0015 -0.0057 0.0124 1284 GLN 61 C -0.0008 -0.0026 0.0098 1285 GLN 61 O -0.0015 0.0007 0.0081 1286 GLN 61 CB 0.0032 -0.0040 0.0127 1287 GLN 61 CG 0.0060 -0.0068 0.0154 1288 GLN 61 CD 0.0090 -0.0043 0.0161 1289 GLN 61 OE1 0.0127 -0.0032 0.0178 1290 GLN 61 NE2 0.0076 -0.0033 0.0149 1291 ILE 62 N -0.0010 -0.0047 0.0109 1292 ILE 62 CA -0.0026 -0.0031 0.0097 1293 ILE 62 C -0.0054 -0.0048 0.0082 1294 ILE 62 O -0.0057 -0.0076 0.0085 1295 ILE 62 CB -0.0012 -0.0032 0.0105 1296 ILE 62 CG1 0.0015 -0.0012 0.0118 1297 ILE 62 CG2 -0.0031 -0.0022 0.0092 1298 ILE 62 CD1 0.0013 0.0023 0.0111 1299 LEU 63 N -0.0084 -0.0032 0.0068 1300 LEU 63 CA -0.0096 -0.0039 0.0059 1301 LEU 63 C -0.0089 -0.0041 0.0061 1302 LEU 63 O -0.0085 -0.0029 0.0070 1303 LEU 63 CB -0.0114 -0.0028 0.0055 1304 LEU 63 CG -0.0127 -0.0032 0.0046 1305 LEU 63 CD1 -0.0131 -0.0050 0.0035 1306 LEU 63 CD2 -0.0143 -0.0018 0.0044 1307 ILE 64 N -0.0091 -0.0056 0.0057 1308 ILE 64 CA -0.0085 -0.0066 0.0058 1309 ILE 64 C -0.0087 -0.0072 0.0044 1310 ILE 64 O -0.0090 -0.0073 0.0035 1311 ILE 64 CB -0.0076 -0.0077 0.0064 1312 ILE 64 CG1 -0.0073 -0.0073 0.0077 1313 ILE 64 CG2 -0.0070 -0.0086 0.0066 1314 ILE 64 CD1 -0.0064 -0.0084 0.0084 1315 GLU 65 N -0.0081 -0.0079 0.0037 1316 GLU 65 CA -0.0078 -0.0082 0.0026 1317 GLU 65 C -0.0060 -0.0088 0.0026 1318 GLU 65 O -0.0052 -0.0088 0.0039 1319 GLU 65 CB -0.0084 -0.0079 0.0032 1320 GLU 65 CG -0.0086 -0.0081 0.0019 1321 GLU 65 CD -0.0094 -0.0077 0.0025 1322 GLU 65 OE1 -0.0094 -0.0073 0.0039 1323 GLU 65 OE2 -0.0101 -0.0076 0.0015 1324 ILE 66 N -0.0039 -0.0102 0.0011 1325 ILE 66 CA -0.0023 -0.0115 0.0012 1326 ILE 66 C -0.0009 -0.0121 -0.0006 1327 ILE 66 O -0.0010 -0.0113 -0.0025 1328 ILE 66 CB -0.0026 -0.0112 0.0008 1329 ILE 66 CG1 -0.0040 -0.0106 0.0027 1330 ILE 66 CG2 -0.0009 -0.0125 0.0006 1331 ILE 66 CD1 -0.0050 -0.0096 0.0020 1332 CYS 67 N 0.0007 -0.0133 0.0005 1333 CYS 67 CA 0.0044 -0.0135 -0.0007 1334 CYS 67 C 0.0044 -0.0120 -0.0024 1335 CYS 67 O 0.0066 -0.0108 -0.0048 1336 CYS 67 CB 0.0065 -0.0125 -0.0027 1337 CYS 67 SG 0.0114 -0.0135 -0.0035 1338 GLY 68 N 0.0006 -0.0106 -0.0013 1339 GLY 68 CA -0.0003 -0.0100 -0.0023 1340 GLY 68 C -0.0015 -0.0092 -0.0037 1341 GLY 68 O -0.0023 -0.0087 -0.0047 1342 HIS 69 N 0.0002 -0.0098 -0.0032 1343 HIS 69 CA -0.0021 -0.0074 -0.0050 1344 HIS 69 C -0.0054 -0.0072 -0.0030 1345 HIS 69 O -0.0059 -0.0083 -0.0010 1346 HIS 69 CB -0.0012 -0.0067 -0.0068 1347 HIS 69 CG 0.0017 -0.0064 -0.0093 1348 HIS 69 ND1 0.0048 -0.0082 -0.0089 1349 HIS 69 CD2 0.0021 -0.0046 -0.0124 1350 HIS 69 CE1 0.0070 -0.0074 -0.0115 1351 HIS 69 NE2 0.0053 -0.0052 -0.0137 1352 LYS 70 N -0.0080 -0.0082 -0.0025 1353 LYS 70 CA -0.0090 -0.0074 -0.0013 1354 LYS 70 C -0.0089 -0.0077 -0.0020 1355 LYS 70 O -0.0091 -0.0081 -0.0039 1356 LYS 70 CB -0.0112 -0.0064 -0.0013 1357 LYS 70 CG -0.0114 -0.0060 -0.0003 1358 LYS 70 CD -0.0135 -0.0050 -0.0004 1359 LYS 70 CE -0.0138 -0.0048 -0.0002 1360 LYS 70 NZ -0.0127 -0.0048 0.0017 1361 ALA 71 N -0.0081 -0.0079 0.0019 1362 ALA 71 CA -0.0085 -0.0076 0.0015 1363 ALA 71 C -0.0095 -0.0073 0.0026 1364 ALA 71 O -0.0095 -0.0074 0.0038 1365 ALA 71 CB -0.0075 -0.0081 0.0015 1366 ILE 72 N -0.0094 -0.0101 0.0043 1367 ILE 72 CA -0.0088 -0.0090 0.0051 1368 ILE 72 C -0.0076 -0.0098 0.0057 1369 ILE 72 O -0.0076 -0.0109 0.0054 1370 ILE 72 CB -0.0095 -0.0081 0.0048 1371 ILE 72 CG1 -0.0105 -0.0070 0.0044 1372 ILE 72 CG2 -0.0087 -0.0073 0.0057 1373 ILE 72 CD1 -0.0113 -0.0061 0.0041 1374 GLY 73 N -0.0063 -0.0102 0.0095 1375 GLY 73 CA -0.0051 -0.0113 0.0116 1376 GLY 73 C -0.0041 -0.0106 0.0133 1377 GLY 73 O -0.0042 -0.0090 0.0128 1378 THR 74 N -0.0027 -0.0113 0.0163 1379 THR 74 CA -0.0003 -0.0096 0.0161 1380 THR 74 C -0.0026 -0.0089 0.0147 1381 THR 74 O -0.0050 -0.0110 0.0152 1382 THR 74 CB 0.0025 -0.0117 0.0186 1383 THR 74 OG1 0.0050 -0.0118 0.0196 1384 THR 74 CG2 0.0047 -0.0103 0.0184 1385 VAL 75 N -0.0013 -0.0078 0.0156 1386 VAL 75 CA -0.0019 -0.0072 0.0151 1387 VAL 75 C 0.0003 -0.0063 0.0157 1388 VAL 75 O 0.0018 -0.0047 0.0158 1389 VAL 75 CB -0.0036 -0.0054 0.0137 1390 VAL 75 CG1 -0.0040 -0.0047 0.0132 1391 VAL 75 CG2 -0.0058 -0.0064 0.0131 1392 LEU 76 N -0.0007 -0.0050 0.0167 1393 LEU 76 CA 0.0001 -0.0044 0.0164 1394 LEU 76 C -0.0008 -0.0034 0.0150 1395 LEU 76 O -0.0025 -0.0035 0.0147 1396 LEU 76 CB -0.0000 -0.0055 0.0175 1397 LEU 76 CG 0.0013 -0.0064 0.0188 1398 LEU 76 CD1 0.0024 -0.0066 0.0193 1399 LEU 76 CD2 0.0005 -0.0076 0.0200 1400 VAL 77 N 0.0044 -0.0007 0.0143 1401 VAL 77 CA 0.0035 0.0008 0.0127 1402 VAL 77 C 0.0046 0.0013 0.0126 1403 VAL 77 O 0.0067 0.0014 0.0128 1404 VAL 77 CB 0.0041 0.0024 0.0114 1405 VAL 77 CG1 0.0031 0.0040 0.0098 1406 VAL 77 CG2 0.0032 0.0020 0.0116 1407 GLY 78 N 0.0035 0.0004 0.0136 1408 GLY 78 CA 0.0047 0.0005 0.0142 1409 GLY 78 C 0.0043 0.0001 0.0141 1410 GLY 78 O 0.0031 -0.0002 0.0135 1411 PRO 79 N 0.0055 -0.0000 0.0139 1412 PRO 79 CA 0.0040 0.0004 0.0133 1413 PRO 79 C 0.0025 -0.0010 0.0145 1414 PRO 79 O 0.0023 -0.0013 0.0148 1415 PRO 79 CB 0.0053 0.0010 0.0128 1416 PRO 79 CG 0.0074 0.0003 0.0137 1417 PRO 79 CD 0.0077 -0.0000 0.0141 1418 THR 80 N 0.0012 -0.0031 0.0167 1419 THR 80 CA 0.0003 -0.0039 0.0171 1420 THR 80 C -0.0008 -0.0033 0.0166 1421 THR 80 O -0.0010 -0.0025 0.0161 1422 THR 80 CB -0.0002 -0.0046 0.0176 1423 THR 80 OG1 -0.0012 -0.0052 0.0179 1424 THR 80 CG2 -0.0006 -0.0040 0.0172 1425 PRO 81 N 0.0024 -0.0021 0.0177 1426 PRO 81 CA 0.0006 -0.0016 0.0164 1427 PRO 81 C 0.0028 -0.0014 0.0196 1428 PRO 81 O 0.0020 -0.0014 0.0185 1429 PRO 81 CB -0.0041 0.0015 0.0167 1430 PRO 81 CG -0.0040 0.0031 0.0198 1431 PRO 81 CD -0.0006 0.0007 0.0194 1432 VAL 82 N 0.0002 -0.0066 0.0182 1433 VAL 82 CA -0.0039 -0.0078 0.0166 1434 VAL 82 C -0.0061 -0.0084 0.0158 1435 VAL 82 O -0.0043 -0.0101 0.0158 1436 VAL 82 CB -0.0033 -0.0119 0.0155 1437 VAL 82 CG1 -0.0072 -0.0140 0.0137 1438 VAL 82 CG2 -0.0016 -0.0112 0.0163 1439 ASN 83 N -0.0058 -0.0108 0.0161 1440 ASN 83 CA -0.0065 -0.0099 0.0153 1441 ASN 83 C -0.0067 -0.0114 0.0145 1442 ASN 83 O -0.0070 -0.0126 0.0135 1443 ASN 83 CB -0.0076 -0.0089 0.0140 1444 ASN 83 CG -0.0076 -0.0073 0.0146 1445 ASN 83 OD1 -0.0071 -0.0063 0.0158 1446 ASN 83 ND2 -0.0082 -0.0071 0.0137 1447 ILE 84 N -0.0077 -0.0121 0.0137 1448 ILE 84 N -0.0077 -0.0120 0.0136 1449 ILE 84 CA -0.0075 -0.0122 0.0129 1450 ILE 84 CA -0.0076 -0.0121 0.0130 1451 ILE 84 C -0.0080 -0.0112 0.0122 1452 ILE 84 C -0.0081 -0.0112 0.0122 1453 ILE 84 O -0.0085 -0.0105 0.0127 1454 ILE 84 O -0.0086 -0.0103 0.0126 1455 ILE 84 CB -0.0073 -0.0127 0.0135 1456 ILE 84 CB -0.0076 -0.0122 0.0138 1457 ILE 84 CG1 -0.0078 -0.0120 0.0144 1458 ILE 84 CG1 -0.0071 -0.0131 0.0144 1459 ILE 84 CG2 -0.0068 -0.0137 0.0140 1460 ILE 84 CG2 -0.0077 -0.0120 0.0131 1461 ILE 84 CD1 -0.0076 -0.0124 0.0149 1462 ILE 84 CD1 -0.0072 -0.0132 0.0155 1463 ILE 85 N -0.0068 -0.0131 0.0090 1464 ILE 85 CA -0.0073 -0.0117 0.0078 1465 ILE 85 C -0.0073 -0.0116 0.0075 1466 ILE 85 O -0.0065 -0.0126 0.0067 1467 ILE 85 CB -0.0069 -0.0118 0.0060 1468 ILE 85 CG1 -0.0067 -0.0120 0.0063 1469 ILE 85 CG2 -0.0074 -0.0102 0.0047 1470 ILE 85 CD1 -0.0077 -0.0109 0.0072 1471 GLY 86 N -0.0082 -0.0118 0.0080 1472 GLY 86 CA -0.0085 -0.0113 0.0081 1473 GLY 86 C -0.0085 -0.0099 0.0068 1474 GLY 86 O -0.0083 -0.0092 0.0058 1475 ARG 87 N -0.0090 -0.0088 0.0064 1476 ARG 87 CA -0.0081 -0.0055 0.0042 1477 ARG 87 C -0.0094 -0.0042 0.0039 1478 ARG 87 O -0.0076 -0.0025 0.0022 1479 ARG 87 CB -0.0095 -0.0029 0.0032 1480 ARG 87 CG -0.0077 -0.0036 0.0029 1481 ARG 87 CD -0.0091 -0.0008 0.0018 1482 ARG 87 NE -0.0130 -0.0003 0.0031 1483 ARG 87 CZ -0.0155 0.0021 0.0027 1484 ARG 87 NH1 -0.0146 0.0043 0.0011 1485 ARG 87 NH2 -0.0189 0.0022 0.0040 1486 ASN 88 N -0.0078 -0.0065 0.0073 1487 ASN 88 CA -0.0089 -0.0053 0.0072 1488 ASN 88 C -0.0081 -0.0055 0.0064 1489 ASN 88 O -0.0086 -0.0042 0.0055 1490 ASN 88 CB -0.0104 -0.0053 0.0090 1491 ASN 88 CG -0.0101 -0.0067 0.0102 1492 ASN 88 OD1 -0.0091 -0.0081 0.0107 1493 ASN 88 ND2 -0.0110 -0.0062 0.0108 1494 LEU 89 N -0.0084 -0.0068 0.0053 1495 LEU 89 CA -0.0073 -0.0072 0.0044 1496 LEU 89 C -0.0053 -0.0075 0.0026 1497 LEU 89 O -0.0045 -0.0070 0.0012 1498 LEU 89 CB -0.0071 -0.0088 0.0061 1499 LEU 89 CG -0.0090 -0.0085 0.0079 1500 LEU 89 CD1 -0.0086 -0.0102 0.0095 1501 LEU 89 CD2 -0.0102 -0.0067 0.0070 1502 LEU 90 N -0.0057 -0.0057 -0.0005 1503 LEU 90 CA -0.0031 -0.0053 -0.0021 1504 LEU 90 C -0.0026 -0.0023 -0.0040 1505 LEU 90 O -0.0002 -0.0020 -0.0056 1506 LEU 90 CB -0.0032 -0.0060 -0.0017 1507 LEU 90 CG -0.0031 -0.0092 -0.0001 1508 LEU 90 CD1 -0.0034 -0.0094 0.0002 1509 LEU 90 CD2 -0.0004 -0.0115 -0.0004 1510 THR 91 N -0.0036 -0.0012 -0.0055 1511 THR 91 CA -0.0036 0.0021 -0.0079 1512 THR 91 C -0.0027 0.0026 -0.0087 1513 THR 91 O -0.0008 0.0043 -0.0110 1514 THR 91 CB -0.0071 0.0047 -0.0077 1515 THR 91 OG1 -0.0099 0.0039 -0.0055 1516 THR 91 CG2 -0.0077 0.0048 -0.0074 1517 GLN 92 N -0.0048 -0.0016 -0.0057 1518 GLN 92 CA -0.0051 -0.0009 -0.0062 1519 GLN 92 C -0.0031 -0.0019 -0.0072 1520 GLN 92 O -0.0030 -0.0011 -0.0083 1521 GLN 92 CB -0.0066 -0.0011 -0.0043 1522 GLN 92 CG -0.0084 -0.0006 -0.0028 1523 GLN 92 CD -0.0099 0.0014 -0.0038 1524 GLN 92 OE1 -0.0098 0.0021 -0.0046 1525 GLN 92 NE2 -0.0112 0.0025 -0.0036 1526 ILE 93 N -0.0040 -0.0017 -0.0094 1527 ILE 93 CA -0.0011 -0.0028 -0.0100 1528 ILE 93 C 0.0010 -0.0019 -0.0125 1529 ILE 93 O 0.0037 -0.0027 -0.0132 1530 ILE 93 CB 0.0001 -0.0056 -0.0078 1531 ILE 93 CG1 0.0009 -0.0065 -0.0072 1532 ILE 93 CG2 -0.0021 -0.0064 -0.0054 1533 ILE 93 CD1 0.0022 -0.0092 -0.0051 1534 GLY 94 N 0.0032 0.0001 -0.0139 1535 GLY 94 CA 0.0057 0.0030 -0.0166 1536 GLY 94 C 0.0081 0.0020 -0.0164 1537 GLY 94 O 0.0118 0.0031 -0.0181 1538 CYS 95 N 0.0071 0.0006 -0.0135 1539 CYS 95 CA 0.0083 -0.0006 -0.0131 1540 CYS 95 C 0.0076 0.0016 -0.0142 1541 CYS 95 O 0.0048 0.0029 -0.0143 1542 CYS 95 CB 0.0069 -0.0034 -0.0110 1543 CYS 95 SG 0.0087 -0.0052 -0.0105 1544 THR 96 N 0.0111 0.0028 -0.0170 1545 THR 96 CA 0.0103 0.0054 -0.0177 1546 THR 96 C 0.0111 0.0035 -0.0173 1547 THR 96 O 0.0135 0.0008 -0.0170 1548 THR 96 CB 0.0128 0.0089 -0.0196 1549 THR 96 OG1 0.0168 0.0077 -0.0203 1550 THR 96 CG2 0.0123 0.0108 -0.0201 1551 LEU 97 N 0.0084 0.0068 -0.0160 1552 LEU 97 CA 0.0090 0.0047 -0.0157 1553 LEU 97 C 0.0112 0.0073 -0.0177 1554 LEU 97 O 0.0105 0.0110 -0.0183 1555 LEU 97 CB 0.0053 0.0045 -0.0137 1556 LEU 97 CG 0.0029 0.0013 -0.0115 1557 LEU 97 CD1 -0.0009 0.0024 -0.0097 1558 LEU 97 CD2 0.0047 -0.0029 -0.0113 1559 ASN 98 N 0.0133 0.0071 -0.0184 1560 ASN 98 CA 0.0155 0.0097 -0.0197 1561 ASN 98 C 0.0157 0.0077 -0.0195 1562 ASN 98 O 0.0162 0.0039 -0.0192 1563 ASN 98 CB 0.0198 0.0104 -0.0215 1564 ASN 98 CG 0.0221 0.0138 -0.0228 1565 ASN 98 OD1 0.0219 0.0139 -0.0228 1566 ASN 98 ND2 0.0243 0.0164 -0.0241 1567 PHE 99 N 0.0134 0.0080 -0.0189 1568 PHE 99 CA 0.0131 0.0065 -0.0188 1569 PHE 99 C 0.0137 0.0098 -0.0190 1570 PHE 99 O 0.0138 0.0093 -0.0191 1571 PHE 99 CB 0.0096 0.0044 -0.0171 1572 PHE 99 CG 0.0066 0.0071 -0.0154 1573 PHE 99 CD1 0.0051 0.0083 -0.0146 1574 PHE 99 CD2 0.0052 0.0085 -0.0147 1575 PHE 99 CE1 0.0024 0.0108 -0.0131 1576 PHE 99 CE2 0.0024 0.0110 -0.0131 1577 PHE 99 CZ 0.0010 0.0122 -0.0124 1578 PHE 99 OXT 0.0141 0.0132 -0.0191