1 SER 1 N -0.0223 0.0170 -0.0073 2 SER 1 CA -0.0220 0.0169 -0.0072 3 SER 1 C -0.0198 0.0156 -0.0069 4 SER 1 O -0.0186 0.0146 -0.0083 5 SER 1 CB -0.0232 0.0170 -0.0093 6 SER 1 OG -0.0231 0.0171 -0.0090 7 ASN 2 N -0.0191 0.0157 -0.0052 8 ASN 2 CA -0.0171 0.0146 -0.0050 9 ASN 2 C -0.0173 0.0143 -0.0064 10 ASN 2 O -0.0185 0.0151 -0.0059 11 ASN 2 CB -0.0162 0.0147 -0.0025 12 ASN 2 CG -0.0158 0.0148 -0.0011 13 ASN 2 OD1 -0.0156 0.0144 -0.0020 14 ASN 2 ND2 -0.0155 0.0152 0.0012 15 VAL 3 N -0.0159 0.0135 -0.0071 16 VAL 3 CA -0.0159 0.0130 -0.0087 17 VAL 3 C -0.0141 0.0115 -0.0086 18 VAL 3 O -0.0131 0.0105 -0.0089 19 VAL 3 CB -0.0165 0.0131 -0.0110 20 VAL 3 CG1 -0.0165 0.0126 -0.0127 21 VAL 3 CG2 -0.0182 0.0146 -0.0111 22 PRO 4 N -0.0139 0.0113 -0.0083 23 PRO 4 CA -0.0122 0.0099 -0.0080 24 PRO 4 C -0.0114 0.0087 -0.0100 25 PRO 4 O -0.0123 0.0090 -0.0118 26 PRO 4 CB -0.0124 0.0102 -0.0077 27 PRO 4 CG -0.0139 0.0117 -0.0068 28 PRO 4 CD -0.0150 0.0125 -0.0077 29 HIS 5 N -0.0095 0.0068 -0.0088 30 HIS 5 CA -0.0092 0.0053 -0.0100 31 HIS 5 C -0.0089 0.0045 -0.0104 32 HIS 5 O -0.0081 0.0043 -0.0093 33 HIS 5 CB -0.0080 0.0041 -0.0094 34 HIS 5 CG -0.0077 0.0025 -0.0106 35 HIS 5 ND1 -0.0071 0.0012 -0.0110 36 HIS 5 CD2 -0.0079 0.0020 -0.0116 37 HIS 5 CE1 -0.0069 -0.0000 -0.0122 38 HIS 5 NE2 -0.0074 0.0004 -0.0125 39 LYS 6 N -0.0096 0.0041 -0.0120 40 LYS 6 CA -0.0095 0.0035 -0.0125 41 LYS 6 C -0.0091 0.0018 -0.0137 42 LYS 6 O -0.0096 0.0014 -0.0150 43 LYS 6 CB -0.0108 0.0047 -0.0134 44 LYS 6 CG -0.0112 0.0064 -0.0122 45 LYS 6 CD -0.0124 0.0075 -0.0131 46 LYS 6 CE -0.0129 0.0093 -0.0120 47 LYS 6 NZ -0.0140 0.0103 -0.0126 48 SER 7 N -0.0072 0.0014 -0.0125 49 SER 7 CA -0.0066 -0.0004 -0.0137 50 SER 7 C -0.0067 -0.0007 -0.0142 51 SER 7 O -0.0060 -0.0008 -0.0131 52 SER 7 CB -0.0052 -0.0017 -0.0127 53 SER 7 OG -0.0050 -0.0014 -0.0121 54 SER 8 N -0.0075 -0.0008 -0.0160 55 SER 8 CA -0.0077 -0.0012 -0.0167 56 SER 8 C -0.0065 -0.0031 -0.0169 57 SER 8 O -0.0060 -0.0042 -0.0175 58 SER 8 CB -0.0089 -0.0008 -0.0186 59 SER 8 OG -0.0100 0.0010 -0.0184 60 LEU 9 N -0.0057 -0.0027 -0.0157 61 LEU 9 CA -0.0045 -0.0044 -0.0158 62 LEU 9 C -0.0048 -0.0047 -0.0169 63 LEU 9 O -0.0043 -0.0048 -0.0160 64 LEU 9 CB -0.0033 -0.0046 -0.0138 65 LEU 9 CG -0.0028 -0.0045 -0.0127 66 LEU 9 CD1 -0.0018 -0.0044 -0.0107 67 LEU 9 CD2 -0.0022 -0.0060 -0.0136 68 PRO 10 N -0.0055 -0.0051 -0.0187 69 PRO 10 CA -0.0060 -0.0050 -0.0197 70 PRO 10 C -0.0050 -0.0066 -0.0199 71 PRO 10 O -0.0052 -0.0065 -0.0202 72 PRO 10 CB -0.0072 -0.0049 -0.0217 73 PRO 10 CG -0.0071 -0.0051 -0.0218 74 PRO 10 CD -0.0059 -0.0054 -0.0200 75 GLU 11 N -0.0041 -0.0075 -0.0192 76 GLU 11 CA -0.0027 -0.0090 -0.0189 77 GLU 11 C -0.0013 -0.0088 -0.0166 78 GLU 11 O 0.0000 -0.0101 -0.0160 79 GLU 11 CB -0.0020 -0.0111 -0.0203 80 GLU 11 CG -0.0033 -0.0114 -0.0226 81 GLU 11 CD -0.0027 -0.0135 -0.0241 82 GLU 11 OE1 -0.0012 -0.0148 -0.0234 83 GLU 11 OE2 -0.0036 -0.0139 -0.0260 84 GLY 12 N -0.0017 -0.0071 -0.0152 85 GLY 12 CA -0.0005 -0.0068 -0.0130 86 GLY 12 C 0.0010 -0.0080 -0.0122 87 GLY 12 O 0.0010 -0.0089 -0.0132 88 ILE 13 N 0.0045 -0.0093 -0.0076 89 ILE 13 CA 0.0044 -0.0091 -0.0079 90 ILE 13 C 0.0054 -0.0096 -0.0074 91 ILE 13 O 0.0056 -0.0103 -0.0065 92 ILE 13 CB 0.0031 -0.0090 -0.0077 93 ILE 13 CG1 0.0026 -0.0097 -0.0067 94 ILE 13 CG2 0.0023 -0.0083 -0.0085 95 ILE 13 CD1 0.0012 -0.0096 -0.0065 96 ARG 14 N 0.0060 -0.0093 -0.0080 97 ARG 14 CA 0.0069 -0.0097 -0.0076 98 ARG 14 C 0.0064 -0.0097 -0.0074 99 ARG 14 O 0.0055 -0.0093 -0.0078 100 ARG 14 CB 0.0080 -0.0093 -0.0084 101 ARG 14 CG 0.0086 -0.0092 -0.0086 102 ARG 14 CD 0.0100 -0.0094 -0.0087 103 ARG 14 NE 0.0105 -0.0087 -0.0097 104 ARG 14 CZ 0.0116 -0.0087 -0.0099 105 ARG 14 NH1 0.0122 -0.0094 -0.0091 106 ARG 14 NH2 0.0119 -0.0081 -0.0108 107 PRO 15 N 0.0074 -0.0110 -0.0060 108 PRO 15 CA 0.0072 -0.0111 -0.0058 109 PRO 15 C 0.0072 -0.0110 -0.0056 110 PRO 15 O 0.0072 -0.0109 -0.0057 111 PRO 15 CB 0.0071 -0.0114 -0.0059 112 PRO 15 CG 0.0073 -0.0115 -0.0062 113 PRO 15 CD 0.0075 -0.0112 -0.0063 114 GLY 16 N 0.0071 -0.0108 -0.0053 115 GLY 16 CA 0.0070 -0.0107 -0.0051 116 GLY 16 C 0.0072 -0.0104 -0.0051 117 GLY 16 O 0.0072 -0.0102 -0.0051 118 THR 17 N 0.0069 -0.0111 -0.0054 119 THR 17 CA 0.0065 -0.0108 -0.0056 120 THR 17 C 0.0064 -0.0106 -0.0053 121 THR 17 O 0.0064 -0.0105 -0.0048 122 THR 17 CB 0.0062 -0.0105 -0.0057 123 THR 17 OG1 0.0062 -0.0107 -0.0061 124 THR 17 CG2 0.0057 -0.0102 -0.0059 125 VAL 18 N 0.0062 -0.0105 -0.0055 126 VAL 18 CA 0.0061 -0.0103 -0.0052 127 VAL 18 C 0.0056 -0.0099 -0.0054 128 VAL 18 O 0.0055 -0.0099 -0.0058 129 VAL 18 CB 0.0063 -0.0105 -0.0053 130 VAL 18 CG1 0.0062 -0.0103 -0.0051 131 VAL 18 CG2 0.0068 -0.0109 -0.0051 132 LEU 19 N 0.0039 -0.0096 -0.0052 133 LEU 19 CA 0.0035 -0.0089 -0.0053 134 LEU 19 C 0.0039 -0.0088 -0.0046 135 LEU 19 O 0.0044 -0.0087 -0.0038 136 LEU 19 CB 0.0031 -0.0079 -0.0051 137 LEU 19 CG 0.0028 -0.0070 -0.0049 138 LEU 19 CD1 0.0022 -0.0069 -0.0057 139 LEU 19 CD2 0.0025 -0.0062 -0.0047 140 ARG 20 N 0.0038 -0.0090 -0.0050 141 ARG 20 CA 0.0041 -0.0090 -0.0044 142 ARG 20 C 0.0037 -0.0082 -0.0044 143 ARG 20 O 0.0032 -0.0081 -0.0051 144 ARG 20 CB 0.0043 -0.0100 -0.0048 145 ARG 20 CG 0.0048 -0.0101 -0.0043 146 ARG 20 CD 0.0049 -0.0110 -0.0047 147 ARG 20 NE 0.0044 -0.0107 -0.0054 148 ARG 20 CZ 0.0043 -0.0114 -0.0059 149 ARG 20 NH1 0.0047 -0.0123 -0.0060 150 ARG 20 NH2 0.0037 -0.0111 -0.0065 151 ILE 21 N 0.0024 -0.0076 -0.0048 152 ILE 21 CA 0.0014 -0.0062 -0.0046 153 ILE 21 C 0.0017 -0.0060 -0.0038 154 ILE 21 O 0.0025 -0.0062 -0.0025 155 ILE 21 CB 0.0010 -0.0050 -0.0037 156 ILE 21 CG1 0.0008 -0.0052 -0.0045 157 ILE 21 CG2 -0.0001 -0.0035 -0.0036 158 ILE 21 CD1 0.0004 -0.0042 -0.0037 159 ARG 22 N 0.0011 -0.0057 -0.0046 160 ARG 22 CA 0.0013 -0.0055 -0.0039 161 ARG 22 C 0.0002 -0.0040 -0.0038 162 ARG 22 O -0.0007 -0.0035 -0.0050 163 ARG 22 CB 0.0016 -0.0066 -0.0049 164 ARG 22 CG 0.0028 -0.0081 -0.0048 165 ARG 22 CD 0.0029 -0.0092 -0.0061 166 ARG 22 NE 0.0041 -0.0107 -0.0059 167 ARG 22 CZ 0.0045 -0.0118 -0.0069 168 ARG 22 NH1 0.0038 -0.0118 -0.0082 169 ARG 22 NH2 0.0056 -0.0131 -0.0065 170 GLY 23 N -0.0009 -0.0029 -0.0038 171 GLY 23 CA -0.0024 -0.0012 -0.0038 172 GLY 23 C -0.0022 -0.0005 -0.0019 173 GLY 23 O -0.0010 -0.0013 -0.0008 174 LEU 24 N -0.0035 0.0012 -0.0016 175 LEU 24 CA -0.0035 0.0021 0.0001 176 LEU 24 C -0.0041 0.0035 0.0014 177 LEU 24 O -0.0053 0.0044 0.0007 178 LEU 24 CB -0.0046 0.0029 -0.0007 179 LEU 24 CG -0.0050 0.0041 0.0008 180 LEU 24 CD1 -0.0036 0.0032 0.0022 181 LEU 24 CD2 -0.0062 0.0051 -0.0001 182 VAL 25 N -0.0038 0.0043 0.0030 183 VAL 25 CA -0.0044 0.0060 0.0042 184 VAL 25 C -0.0052 0.0072 0.0045 185 VAL 25 O -0.0045 0.0069 0.0054 186 VAL 25 CB -0.0032 0.0058 0.0061 187 VAL 25 CG1 -0.0039 0.0075 0.0073 188 VAL 25 CG2 -0.0025 0.0045 0.0057 189 PRO 26 N -0.0066 0.0085 0.0038 190 PRO 26 CA -0.0074 0.0096 0.0039 191 PRO 26 C -0.0072 0.0108 0.0059 192 PRO 26 O -0.0066 0.0110 0.0072 193 PRO 26 CB -0.0089 0.0106 0.0024 194 PRO 26 CG -0.0089 0.0107 0.0025 195 PRO 26 CD -0.0075 0.0090 0.0027 196 PRO 27 N -0.0078 0.0119 0.0063 197 PRO 27 CA -0.0074 0.0129 0.0086 198 PRO 27 C -0.0080 0.0145 0.0098 199 PRO 27 O -0.0072 0.0148 0.0118 200 PRO 27 CB -0.0083 0.0139 0.0084 201 PRO 27 CG -0.0085 0.0128 0.0063 202 PRO 27 CD -0.0085 0.0118 0.0048 203 ASN 28 N -0.0093 0.0155 0.0085 204 ASN 28 CA -0.0099 0.0172 0.0097 205 ASN 28 C -0.0097 0.0167 0.0093 206 ASN 28 O -0.0105 0.0180 0.0097 207 ASN 28 CB -0.0115 0.0192 0.0091 208 ASN 28 CG -0.0116 0.0200 0.0103 209 ASN 28 OD1 -0.0109 0.0205 0.0123 210 ASN 28 ND2 -0.0123 0.0202 0.0089 211 ALA 29 N -0.0085 0.0147 0.0088 212 ALA 29 CA -0.0083 0.0141 0.0083 213 ALA 29 C -0.0080 0.0147 0.0098 214 ALA 29 O -0.0071 0.0146 0.0114 215 ALA 29 CB -0.0074 0.0121 0.0076 216 SER 30 N -0.0086 0.0153 0.0093 217 SER 30 CA -0.0082 0.0156 0.0105 218 SER 30 C -0.0074 0.0141 0.0102 219 SER 30 O -0.0064 0.0135 0.0115 220 SER 30 CB -0.0094 0.0173 0.0104 221 SER 30 OG -0.0099 0.0187 0.0111 222 ARG 31 N -0.0076 0.0132 0.0085 223 ARG 31 CA -0.0068 0.0118 0.0081 224 ARG 31 C -0.0073 0.0111 0.0060 225 ARG 31 O -0.0085 0.0120 0.0050 226 ARG 31 CB -0.0068 0.0124 0.0089 227 ARG 31 CG -0.0081 0.0140 0.0086 228 ARG 31 CD -0.0080 0.0145 0.0096 229 ARG 31 NE -0.0073 0.0149 0.0115 230 ARG 31 CZ -0.0070 0.0153 0.0128 231 ARG 31 NH1 -0.0073 0.0154 0.0123 232 ARG 31 NH2 -0.0065 0.0157 0.0145 233 PHE 32 N -0.0065 0.0096 0.0054 234 PHE 32 CA -0.0070 0.0089 0.0035 235 PHE 32 C -0.0062 0.0078 0.0033 236 PHE 32 O -0.0053 0.0075 0.0047 237 PHE 32 CB -0.0068 0.0080 0.0025 238 PHE 32 CG -0.0054 0.0064 0.0029 239 PHE 32 CD1 -0.0046 0.0063 0.0043 240 PHE 32 CD2 -0.0049 0.0050 0.0017 241 PHE 32 CE1 -0.0033 0.0048 0.0046 242 PHE 32 CE2 -0.0036 0.0034 0.0020 243 PHE 32 CZ -0.0029 0.0034 0.0034 244 HIS 33 N -0.0059 0.0071 0.0023 245 HIS 33 CA -0.0052 0.0062 0.0021 246 HIS 33 C -0.0050 0.0049 0.0004 247 HIS 33 O -0.0057 0.0051 -0.0010 248 HIS 33 CB -0.0060 0.0071 0.0021 249 HIS 33 CG -0.0073 0.0081 0.0009 250 HIS 33 ND1 -0.0083 0.0095 0.0013 251 HIS 33 CD2 -0.0078 0.0077 -0.0009 252 HIS 33 CE1 -0.0093 0.0101 -0.0001 253 HIS 33 NE2 -0.0091 0.0090 -0.0015 254 VAL 34 N -0.0040 0.0037 0.0005 255 VAL 34 CA -0.0038 0.0026 -0.0011 256 VAL 34 C -0.0037 0.0025 -0.0011 257 VAL 34 O -0.0029 0.0022 0.0002 258 VAL 34 CB -0.0025 0.0010 -0.0011 259 VAL 34 CG1 -0.0023 -0.0002 -0.0027 260 VAL 34 CG2 -0.0026 0.0011 -0.0009 261 ASN 35 N -0.0044 0.0029 -0.0023 262 ASN 35 CA -0.0044 0.0029 -0.0023 263 ASN 35 C -0.0041 0.0017 -0.0038 264 ASN 35 O -0.0046 0.0016 -0.0053 265 ASN 35 CB -0.0057 0.0044 -0.0025 266 ASN 35 CG -0.0060 0.0056 -0.0010 267 ASN 35 OD1 -0.0052 0.0053 0.0004 268 ASN 35 ND2 -0.0072 0.0069 -0.0013 269 LEU 36 N -0.0033 0.0009 -0.0035 270 LEU 36 CA -0.0031 -0.0001 -0.0049 271 LEU 36 C -0.0037 0.0006 -0.0051 272 LEU 36 O -0.0034 0.0008 -0.0038 273 LEU 36 CB -0.0017 -0.0016 -0.0045 274 LEU 36 CG -0.0010 -0.0026 -0.0047 275 LEU 36 CD1 -0.0012 -0.0019 -0.0038 276 LEU 36 CD2 0.0004 -0.0040 -0.0042 277 LEU 37 N -0.0047 0.0012 -0.0062 278 LEU 37 CA -0.0055 0.0022 -0.0065 279 LEU 37 C -0.0054 0.0014 -0.0080 280 LEU 37 O -0.0050 0.0004 -0.0091 281 LEU 37 CB -0.0067 0.0036 -0.0070 282 LEU 37 CG -0.0069 0.0045 -0.0057 283 LEU 37 CD1 -0.0080 0.0057 -0.0064 284 LEU 37 CD2 -0.0068 0.0051 -0.0040 285 GLY 39 N -0.0084 0.0037 -0.0109 286 GLY 39 CA -0.0096 0.0044 -0.0126 287 GLY 39 C -0.0105 0.0057 -0.0124 288 GLY 39 O -0.0102 0.0061 -0.0110 289 GLU 40 N -0.0116 0.0063 -0.0140 290 GLU 40 CA -0.0125 0.0074 -0.0141 291 GLU 40 C -0.0134 0.0092 -0.0131 292 GLU 40 O -0.0141 0.0103 -0.0130 293 GLU 40 CB -0.0133 0.0073 -0.0161 294 GLU 40 CG -0.0125 0.0058 -0.0172 295 GLU 40 CD -0.0133 0.0056 -0.0193 296 GLU 40 OE1 -0.0145 0.0069 -0.0199 297 GLU 40 OE2 -0.0127 0.0042 -0.0203 298 GLU 41 N -0.0133 0.0100 -0.0137 299 GLU 41 CA -0.0142 0.0117 -0.0129 300 GLU 41 C -0.0140 0.0124 -0.0108 301 GLU 41 O -0.0130 0.0114 -0.0096 302 GLU 41 CB -0.0140 0.0114 -0.0128 303 GLU 41 CG -0.0128 0.0103 -0.0113 304 GLU 41 CD -0.0118 0.0083 -0.0120 305 GLU 41 OE1 -0.0119 0.0077 -0.0137 306 GLU 41 OE2 -0.0109 0.0073 -0.0109 307 GLN 42 N -0.0150 0.0142 -0.0104 308 GLN 42 CA -0.0149 0.0150 -0.0084 309 GLN 42 C -0.0142 0.0146 -0.0068 310 GLN 42 O -0.0144 0.0148 -0.0073 311 GLN 42 CB -0.0161 0.0170 -0.0083 312 GLN 42 CG -0.0165 0.0173 -0.0089 313 GLN 42 CD -0.0156 0.0166 -0.0075 314 GLN 42 OE1 -0.0151 0.0155 -0.0082 315 GLN 42 NE2 -0.0154 0.0172 -0.0056 316 GLY 43 N -0.0133 0.0139 -0.0053 317 GLY 43 CA -0.0127 0.0134 -0.0038 318 GLY 43 C -0.0116 0.0116 -0.0043 319 GLY 43 O -0.0111 0.0112 -0.0033 320 SER 44 N -0.0112 0.0105 -0.0057 321 SER 44 CA -0.0101 0.0088 -0.0063 322 SER 44 C -0.0090 0.0078 -0.0044 323 SER 44 O -0.0089 0.0080 -0.0030 324 SER 44 CB -0.0098 0.0079 -0.0077 325 SER 44 OG -0.0088 0.0062 -0.0084 326 ASP 45 N -0.0082 0.0063 -0.0044 327 ASP 45 CA -0.0069 0.0054 -0.0032 328 ASP 45 C -0.0062 0.0044 -0.0034 329 ASP 45 O -0.0065 0.0041 -0.0048 330 ASP 45 CB -0.0062 0.0044 -0.0035 331 ASP 45 CG -0.0066 0.0052 -0.0027 332 ASP 45 OD1 -0.0073 0.0065 -0.0019 333 ASP 45 OD2 -0.0060 0.0045 -0.0027 334 ALA 46 N -0.0053 0.0041 -0.0020 335 ALA 46 CA -0.0046 0.0033 -0.0020 336 ALA 46 C -0.0032 0.0021 -0.0012 337 ALA 46 O -0.0028 0.0023 0.0004 338 ALA 46 CB -0.0051 0.0043 -0.0009 339 ALA 47 N -0.0025 0.0003 -0.0023 340 ALA 47 CA -0.0012 -0.0008 -0.0016 341 ALA 47 C -0.0007 -0.0008 -0.0003 342 ALA 47 O 0.0002 -0.0013 0.0009 343 ALA 47 CB -0.0006 -0.0021 -0.0029 344 LEU 48 N -0.0014 -0.0002 -0.0006 345 LEU 48 CA -0.0011 -0.0000 0.0005 346 LEU 48 C -0.0023 0.0012 0.0004 347 LEU 48 O -0.0030 0.0014 -0.0009 348 LEU 48 CB -0.0002 -0.0012 -0.0000 349 LEU 48 CG 0.0001 -0.0011 0.0009 350 LEU 48 CD1 0.0008 -0.0011 0.0028 351 LEU 48 CD2 0.0009 -0.0023 0.0001 352 HIS 49 N -0.0026 0.0021 0.0019 353 HIS 49 CA -0.0035 0.0033 0.0022 354 HIS 49 C -0.0026 0.0029 0.0034 355 HIS 49 O -0.0018 0.0029 0.0048 356 HIS 49 CB -0.0043 0.0047 0.0030 357 HIS 49 CG -0.0050 0.0059 0.0037 358 HIS 49 ND1 -0.0059 0.0065 0.0028 359 HIS 49 CD2 -0.0049 0.0068 0.0053 360 HIS 49 CE1 -0.0064 0.0076 0.0038 361 HIS 49 NE2 -0.0058 0.0078 0.0053 362 PHE 50 N -0.0025 0.0025 0.0028 363 PHE 50 CA -0.0017 0.0021 0.0038 364 PHE 50 C -0.0025 0.0033 0.0041 365 PHE 50 O -0.0034 0.0036 0.0030 366 PHE 50 CB -0.0011 0.0007 0.0027 367 PHE 50 CG -0.0003 0.0003 0.0033 368 PHE 50 CD1 0.0008 -0.0003 0.0047 369 PHE 50 CD2 -0.0008 0.0004 0.0026 370 PHE 50 CE1 0.0015 -0.0008 0.0052 371 PHE 50 CE2 -0.0001 -0.0001 0.0032 372 PHE 50 CZ 0.0010 -0.0006 0.0045 373 ASN 51 N -0.0024 0.0042 0.0060 374 ASN 51 CA -0.0033 0.0058 0.0065 375 ASN 51 C -0.0028 0.0059 0.0080 376 ASN 51 O -0.0025 0.0064 0.0095 377 ASN 51 CB -0.0040 0.0069 0.0070 378 ASN 51 CG -0.0051 0.0086 0.0075 379 ASN 51 OD1 -0.0054 0.0096 0.0086 380 ASN 51 ND2 -0.0058 0.0090 0.0066 381 PRO 52 N -0.0026 0.0054 0.0075 382 PRO 52 CA -0.0023 0.0058 0.0088 383 PRO 52 C -0.0034 0.0075 0.0094 384 PRO 52 O -0.0044 0.0083 0.0084 385 PRO 52 CB -0.0021 0.0049 0.0078 386 PRO 52 CG -0.0017 0.0036 0.0064 387 PRO 52 CD -0.0026 0.0044 0.0058 388 ARG 53 N -0.0029 0.0084 0.0114 389 ARG 53 CA -0.0038 0.0102 0.0122 390 ARG 53 C -0.0033 0.0104 0.0134 391 ARG 53 O -0.0025 0.0101 0.0150 392 ARG 53 CB -0.0038 0.0109 0.0133 393 ARG 53 CG -0.0042 0.0108 0.0121 394 ARG 53 CD -0.0041 0.0114 0.0133 395 ARG 53 NE -0.0045 0.0113 0.0123 396 ARG 53 CZ -0.0045 0.0117 0.0130 397 ARG 53 NH1 -0.0041 0.0123 0.0148 398 ARG 53 NH2 -0.0048 0.0115 0.0120 399 LEU 54 N -0.0040 0.0108 0.0127 400 LEU 54 CA -0.0036 0.0110 0.0138 401 LEU 54 C -0.0040 0.0126 0.0153 402 LEU 54 O -0.0034 0.0126 0.0168 403 LEU 54 CB -0.0043 0.0111 0.0125 404 LEU 54 CG -0.0038 0.0096 0.0112 405 LEU 54 CD1 -0.0024 0.0082 0.0121 406 LEU 54 CD2 -0.0042 0.0091 0.0096 407 ASP 55 N -0.0051 0.0140 0.0151 408 ASP 55 CA -0.0055 0.0155 0.0164 409 ASP 55 C -0.0047 0.0154 0.0180 410 ASP 55 O -0.0046 0.0162 0.0195 411 ASP 55 CB -0.0067 0.0168 0.0155 412 ASP 55 CG -0.0069 0.0164 0.0145 413 ASP 55 OD1 -0.0061 0.0151 0.0145 414 ASP 55 OD2 -0.0079 0.0174 0.0136 415 THR 56 N -0.0041 0.0143 0.0179 416 THR 56 CA -0.0033 0.0142 0.0193 417 THR 56 C -0.0021 0.0126 0.0198 418 THR 56 O -0.0013 0.0122 0.0210 419 THR 56 CB -0.0036 0.0143 0.0189 420 THR 56 OG1 -0.0036 0.0132 0.0174 421 THR 56 CG2 -0.0048 0.0160 0.0186 422 SER 57 N -0.0022 0.0116 0.0185 423 SER 57 CA -0.0009 0.0099 0.0188 424 SER 57 C -0.0001 0.0088 0.0187 425 SER 57 O 0.0010 0.0080 0.0199 426 SER 57 CB -0.0002 0.0101 0.0207 427 SER 57 OG -0.0008 0.0110 0.0206 428 GLU 58 N -0.0006 0.0086 0.0172 429 GLU 58 CA 0.0000 0.0074 0.0168 430 GLU 58 C -0.0003 0.0066 0.0147 431 GLU 58 O -0.0012 0.0072 0.0136 432 GLU 58 CB -0.0004 0.0084 0.0174 433 GLU 58 CG -0.0002 0.0094 0.0194 434 GLU 58 CD -0.0002 0.0097 0.0200 435 GLU 58 OE1 -0.0012 0.0108 0.0194 436 GLU 58 OE2 0.0009 0.0088 0.0210 437 VAL 59 N 0.0003 0.0050 0.0138 438 VAL 59 CA 0.0001 0.0043 0.0120 439 VAL 59 C 0.0003 0.0042 0.0121 440 VAL 59 O 0.0014 0.0034 0.0130 441 VAL 59 CB 0.0010 0.0028 0.0111 442 VAL 59 CG1 0.0007 0.0022 0.0092 443 VAL 59 CG2 0.0009 0.0030 0.0111 444 VAL 60 N -0.0008 0.0049 0.0113 445 VAL 60 CA -0.0007 0.0049 0.0114 446 VAL 60 C -0.0006 0.0040 0.0096 447 VAL 60 O -0.0012 0.0039 0.0082 448 VAL 60 CB -0.0020 0.0065 0.0117 449 VAL 60 CG1 -0.0023 0.0066 0.0112 450 VAL 60 CG2 -0.0019 0.0074 0.0136 451 PHE 61 N -0.0001 0.0032 0.0097 452 PHE 61 CA 0.0001 0.0023 0.0082 453 PHE 61 C -0.0004 0.0029 0.0085 454 PHE 61 O 0.0001 0.0032 0.0100 455 PHE 61 CB 0.0015 0.0008 0.0083 456 PHE 61 CG 0.0021 0.0001 0.0080 457 PHE 61 CD1 0.0024 0.0003 0.0094 458 PHE 61 CD2 0.0023 -0.0010 0.0065 459 PHE 61 CE1 0.0030 -0.0004 0.0091 460 PHE 61 CE2 0.0030 -0.0017 0.0062 461 PHE 61 CZ 0.0032 -0.0014 0.0075 462 ASN 62 N -0.0011 0.0031 0.0072 463 ASN 62 CA -0.0015 0.0036 0.0073 464 ASN 62 C -0.0018 0.0031 0.0056 465 ASN 62 O -0.0018 0.0025 0.0042 466 ASN 62 CB -0.0026 0.0052 0.0081 467 ASN 62 CG -0.0026 0.0056 0.0092 468 ASN 62 OD1 -0.0018 0.0048 0.0091 469 ASN 62 ND2 -0.0034 0.0070 0.0101 470 SER 63 N -0.0019 0.0035 0.0060 471 SER 63 CA -0.0023 0.0032 0.0043 472 SER 63 C -0.0034 0.0045 0.0045 473 SER 63 O -0.0037 0.0053 0.0060 474 SER 63 CB -0.0011 0.0020 0.0043 475 SER 63 OG -0.0007 0.0022 0.0060 476 LYS 64 N -0.0041 0.0046 0.0030 477 LYS 64 CA -0.0052 0.0058 0.0030 478 LYS 64 C -0.0050 0.0051 0.0019 479 LYS 64 O -0.0049 0.0044 0.0003 480 LYS 64 CB -0.0066 0.0069 0.0022 481 LYS 64 CG -0.0078 0.0082 0.0023 482 LYS 64 CD -0.0092 0.0092 0.0013 483 LYS 64 CE -0.0103 0.0106 0.0019 484 LYS 64 NZ -0.0117 0.0115 0.0006 485 GLU 65 N -0.0049 0.0053 0.0028 486 GLU 65 CA -0.0045 0.0046 0.0017 487 GLU 65 C -0.0053 0.0056 0.0020 488 GLU 65 O -0.0055 0.0063 0.0036 489 GLU 65 CB -0.0030 0.0031 0.0023 490 GLU 65 CG -0.0025 0.0021 0.0010 491 GLU 65 CD -0.0010 0.0007 0.0016 492 GLU 65 OE1 -0.0006 0.0007 0.0034 493 GLU 65 OE2 -0.0003 -0.0005 0.0004 494 GLN 66 N -0.0058 0.0056 0.0004 495 GLN 66 CA -0.0067 0.0067 0.0005 496 GLN 66 C -0.0079 0.0083 0.0014 497 GLN 66 O -0.0084 0.0091 0.0024 498 GLN 66 CB -0.0059 0.0062 0.0018 499 GLN 66 CG -0.0046 0.0046 0.0013 500 GLN 66 CD -0.0047 0.0040 -0.0008 501 GLN 66 OE1 -0.0058 0.0049 -0.0019 502 GLN 66 NE2 -0.0036 0.0026 -0.0014 503 GLY 67 N -0.0084 0.0087 0.0010 504 GLY 67 CA -0.0096 0.0101 0.0017 505 GLY 67 C -0.0093 0.0105 0.0038 506 GLY 67 O -0.0103 0.0117 0.0044 507 SER 68 N -0.0080 0.0095 0.0048 508 SER 68 CA -0.0077 0.0098 0.0068 509 SER 68 C -0.0066 0.0089 0.0071 510 SER 68 O -0.0056 0.0076 0.0063 511 SER 68 CB -0.0069 0.0095 0.0080 512 SER 68 OG -0.0079 0.0105 0.0081 513 TRP 69 N -0.0067 0.0095 0.0078 514 TRP 69 CA -0.0057 0.0086 0.0082 515 TRP 69 C -0.0045 0.0077 0.0094 516 TRP 69 O -0.0045 0.0082 0.0105 517 TRP 69 CB -0.0062 0.0094 0.0091 518 TRP 69 CG -0.0073 0.0101 0.0079 519 TRP 69 CD1 -0.0086 0.0114 0.0076 520 TRP 69 CD2 -0.0072 0.0094 0.0066 521 TRP 69 NE1 -0.0093 0.0115 0.0063 522 TRP 69 CE2 -0.0084 0.0104 0.0057 523 TRP 69 CE3 -0.0061 0.0081 0.0063 524 TRP 69 CZ2 -0.0086 0.0100 0.0044 525 TRP 69 CZ3 -0.0063 0.0078 0.0050 526 TRP 69 CH2 -0.0076 0.0088 0.0041 527 GLY 70 N -0.0034 0.0065 0.0092 528 GLY 70 CA -0.0021 0.0057 0.0104 529 GLY 70 C -0.0018 0.0061 0.0121 530 GLY 70 O -0.0027 0.0072 0.0125 531 ARG 71 N -0.0008 0.0055 0.0127 532 ARG 71 CA -0.0002 0.0058 0.0144 533 ARG 71 C 0.0002 0.0051 0.0139 534 ARG 71 O 0.0008 0.0037 0.0128 535 ARG 71 CB 0.0012 0.0050 0.0158 536 ARG 71 CG 0.0018 0.0054 0.0177 537 ARG 71 CD 0.0031 0.0048 0.0191 538 ARG 71 NE 0.0036 0.0052 0.0208 539 ARG 71 CZ 0.0030 0.0066 0.0221 540 ARG 71 NH1 0.0020 0.0077 0.0220 541 ARG 71 NH2 0.0034 0.0069 0.0235 542 GLU 72 N -0.0004 0.0060 0.0145 543 GLU 72 CA -0.0001 0.0054 0.0141 544 GLU 72 C 0.0016 0.0042 0.0150 545 GLU 72 O 0.0023 0.0043 0.0166 546 GLU 72 CB -0.0009 0.0068 0.0148 547 GLU 72 CG -0.0025 0.0080 0.0137 548 GLU 72 CD -0.0034 0.0094 0.0146 549 GLU 72 OE1 -0.0028 0.0097 0.0162 550 GLU 72 OE2 -0.0047 0.0102 0.0135 551 GLU 73 N 0.0018 0.0033 0.0135 552 GLU 73 CA 0.0029 0.0022 0.0143 553 GLU 73 C 0.0026 0.0027 0.0143 554 GLU 73 O 0.0016 0.0033 0.0133 555 GLU 73 CB 0.0037 0.0007 0.0132 556 GLU 73 CG 0.0041 0.0001 0.0129 557 GLU 73 CD 0.0048 -0.0014 0.0117 558 GLU 73 OE1 0.0054 -0.0023 0.0114 559 GLU 73 OE2 0.0049 -0.0018 0.0111 560 ARG 74 N 0.0033 0.0023 0.0156 561 ARG 74 CA 0.0031 0.0026 0.0157 562 ARG 74 C 0.0042 0.0013 0.0156 563 ARG 74 O 0.0052 0.0003 0.0164 564 ARG 74 CB 0.0029 0.0038 0.0174 565 ARG 74 CG 0.0016 0.0053 0.0172 566 ARG 74 CD 0.0015 0.0063 0.0190 567 ARG 74 NE 0.0002 0.0078 0.0189 568 ARG 74 CZ -0.0006 0.0085 0.0182 569 ARG 74 NH1 -0.0003 0.0079 0.0177 570 ARG 74 NH2 -0.0018 0.0099 0.0180 571 GLY 75 N 0.0036 0.0014 0.0142 572 GLY 75 CA 0.0047 0.0002 0.0142 573 GLY 75 C 0.0051 0.0006 0.0159 574 GLY 75 O 0.0044 0.0019 0.0168 575 PRO 76 N 0.0062 -0.0004 0.0162 576 PRO 76 CA 0.0066 -0.0000 0.0177 577 PRO 76 C 0.0057 0.0008 0.0174 578 PRO 76 O 0.0053 0.0003 0.0159 579 PRO 76 CB 0.0080 -0.0015 0.0180 580 PRO 76 CG 0.0081 -0.0027 0.0162 581 PRO 76 CD 0.0072 -0.0021 0.0154 582 GLY 77 N 0.0061 0.0023 0.0187 583 GLY 77 CA 0.0055 0.0031 0.0187 584 GLY 77 C 0.0044 0.0034 0.0170 585 GLY 77 O 0.0036 0.0039 0.0162 586 VAL 78 N 0.0043 0.0032 0.0165 587 VAL 78 CA 0.0032 0.0035 0.0149 588 VAL 78 C 0.0035 0.0025 0.0142 589 VAL 78 O 0.0035 0.0029 0.0147 590 VAL 78 CB 0.0021 0.0053 0.0151 591 VAL 78 CG1 0.0023 0.0060 0.0165 592 VAL 78 CG2 0.0009 0.0056 0.0135 593 PRO 79 N 0.0036 0.0004 0.0119 594 PRO 79 CA 0.0039 -0.0006 0.0115 595 PRO 79 C 0.0030 0.0000 0.0103 596 PRO 79 O 0.0029 -0.0008 0.0091 597 PRO 79 CB 0.0043 -0.0022 0.0107 598 PRO 79 CG 0.0038 -0.0019 0.0100 599 PRO 79 CD 0.0036 -0.0004 0.0111 600 PHE 80 N 0.0024 0.0016 0.0105 601 PHE 80 CA 0.0016 0.0024 0.0095 602 PHE 80 C 0.0014 0.0037 0.0106 603 PHE 80 O 0.0017 0.0043 0.0119 604 PHE 80 CB 0.0007 0.0032 0.0083 605 PHE 80 CG 0.0007 0.0021 0.0071 606 PHE 80 CD1 0.0004 0.0013 0.0057 607 PHE 80 CD2 0.0011 0.0016 0.0075 608 PHE 80 CE1 0.0005 0.0002 0.0046 609 PHE 80 CE2 0.0011 0.0006 0.0064 610 PHE 80 CZ 0.0008 -0.0002 0.0050 611 GLN 81 N 0.0017 0.0037 0.0117 612 GLN 81 CA 0.0012 0.0051 0.0127 613 GLN 81 C -0.0004 0.0060 0.0112 614 GLN 81 O -0.0006 0.0051 0.0095 615 GLN 81 CB 0.0023 0.0042 0.0134 616 GLN 81 CG 0.0039 0.0031 0.0146 617 GLN 81 CD 0.0048 0.0025 0.0155 618 GLN 81 OE1 0.0061 0.0010 0.0156 619 GLN 81 NE2 0.0041 0.0037 0.0158 620 ARG 82 N -0.0014 0.0078 0.0120 621 ARG 82 CA -0.0028 0.0087 0.0108 622 ARG 82 C -0.0024 0.0079 0.0103 623 ARG 82 O -0.0014 0.0075 0.0115 624 ARG 82 CB -0.0036 0.0107 0.0121 625 ARG 82 CG -0.0042 0.0117 0.0125 626 ARG 82 CD -0.0048 0.0135 0.0140 627 ARG 82 NE -0.0054 0.0145 0.0143 628 ARG 82 CZ -0.0052 0.0155 0.0161 629 ARG 82 NH1 -0.0043 0.0154 0.0177 630 ARG 82 NH2 -0.0059 0.0164 0.0161 631 GLY 83 N -0.0031 0.0075 0.0087 632 GLY 83 CA -0.0029 0.0068 0.0080 633 GLY 83 C -0.0017 0.0048 0.0075 634 GLY 83 O -0.0013 0.0040 0.0072 635 GLN 84 N -0.0011 0.0039 0.0074 636 GLN 84 CA 0.0001 0.0019 0.0068 637 GLN 84 C -0.0002 0.0010 0.0051 638 GLN 84 O -0.0008 0.0017 0.0050 639 GLN 84 CB 0.0016 0.0012 0.0085 640 GLN 84 CG 0.0021 0.0018 0.0103 641 GLN 84 CD 0.0023 0.0012 0.0099 642 GLN 84 OE1 0.0027 -0.0002 0.0087 643 GLN 84 NE2 0.0020 0.0023 0.0109 644 PRO 85 N 0.0003 -0.0007 0.0032 645 PRO 85 CA 0.0003 -0.0016 0.0017 646 PRO 85 C 0.0014 -0.0026 0.0024 647 PRO 85 O 0.0024 -0.0030 0.0038 648 PRO 85 CB 0.0005 -0.0027 0.0004 649 PRO 85 CG 0.0013 -0.0029 0.0016 650 PRO 85 CD 0.0008 -0.0014 0.0031 651 PHE 86 N 0.0012 -0.0030 0.0013 652 PHE 86 CA 0.0022 -0.0040 0.0018 653 PHE 86 C 0.0022 -0.0052 0.0002 654 PHE 86 O 0.0013 -0.0050 -0.0014 655 PHE 86 CB 0.0018 -0.0029 0.0028 656 PHE 86 CG 0.0005 -0.0020 0.0016 657 PHE 86 CD1 0.0005 -0.0027 0.0005 658 PHE 86 CD2 -0.0006 -0.0005 0.0015 659 PHE 86 CE1 -0.0007 -0.0019 -0.0007 660 PHE 86 CE2 -0.0018 0.0003 0.0003 661 PHE 86 CZ -0.0018 -0.0004 -0.0007 662 GLU 87 N 0.0032 -0.0068 -0.0014 663 GLU 87 CA 0.0033 -0.0075 -0.0023 664 GLU 87 C 0.0037 -0.0075 -0.0015 665 GLU 87 O 0.0045 -0.0077 -0.0005 666 GLU 87 CB 0.0040 -0.0087 -0.0029 667 GLU 87 CG 0.0041 -0.0094 -0.0038 668 GLU 87 CD 0.0049 -0.0105 -0.0045 669 GLU 87 OE1 0.0057 -0.0110 -0.0038 670 GLU 87 OE2 0.0046 -0.0110 -0.0057 671 VAL 88 N 0.0031 -0.0072 -0.0020 672 VAL 88 CA 0.0035 -0.0073 -0.0015 673 VAL 88 C 0.0037 -0.0081 -0.0025 674 VAL 88 O 0.0030 -0.0081 -0.0036 675 VAL 88 CB 0.0027 -0.0062 -0.0010 676 VAL 88 CG1 0.0029 -0.0062 -0.0007 677 VAL 88 CG2 0.0026 -0.0053 0.0001 678 LEU 89 N 0.0044 -0.0083 -0.0026 679 LEU 89 N 0.0044 -0.0083 -0.0026 680 LEU 89 CA 0.0046 -0.0088 -0.0031 681 LEU 89 CA 0.0046 -0.0088 -0.0032 682 LEU 89 C 0.0045 -0.0083 -0.0024 683 LEU 89 C 0.0046 -0.0085 -0.0025 684 LEU 89 O 0.0049 -0.0081 -0.0014 685 LEU 89 O 0.0052 -0.0085 -0.0015 686 LEU 89 CB 0.0056 -0.0096 -0.0032 687 LEU 89 CB 0.0055 -0.0097 -0.0035 688 LEU 89 CG 0.0059 -0.0101 -0.0038 689 LEU 89 CG 0.0056 -0.0101 -0.0040 690 LEU 89 CD1 0.0069 -0.0111 -0.0040 691 LEU 89 CD1 0.0067 -0.0107 -0.0036 692 LEU 89 CD2 0.0051 -0.0100 -0.0048 693 LEU 89 CD2 0.0054 -0.0105 -0.0053 694 ILE 90 N 0.0041 -0.0083 -0.0030 695 ILE 90 CA 0.0042 -0.0081 -0.0025 696 ILE 90 C 0.0047 -0.0088 -0.0032 697 ILE 90 O 0.0043 -0.0090 -0.0041 698 ILE 90 CB 0.0032 -0.0073 -0.0025 699 ILE 90 CG1 0.0027 -0.0066 -0.0019 700 ILE 90 CG2 0.0033 -0.0072 -0.0021 701 ILE 90 CD1 0.0031 -0.0063 -0.0007 702 ILE 91 N 0.0052 -0.0094 -0.0037 703 ILE 91 CA 0.0056 -0.0100 -0.0041 704 ILE 91 C 0.0057 -0.0100 -0.0039 705 ILE 91 O 0.0060 -0.0099 -0.0032 706 ILE 91 CB 0.0063 -0.0105 -0.0039 707 ILE 91 CG1 0.0062 -0.0105 -0.0041 708 ILE 91 CG2 0.0068 -0.0110 -0.0044 709 ILE 91 CD1 0.0069 -0.0109 -0.0038 710 ALA 92 N 0.0056 -0.0101 -0.0045 711 ALA 92 CA 0.0057 -0.0101 -0.0043 712 ALA 92 C 0.0064 -0.0107 -0.0043 713 ALA 92 O 0.0067 -0.0111 -0.0049 714 ALA 92 CB 0.0052 -0.0099 -0.0049 715 SER 93 N 0.0063 -0.0113 -0.0039 716 SER 93 CA 0.0068 -0.0118 -0.0039 717 SER 93 C 0.0070 -0.0120 -0.0039 718 SER 93 O 0.0067 -0.0117 -0.0039 719 SER 93 CB 0.0070 -0.0120 -0.0034 720 SER 93 OG 0.0069 -0.0120 -0.0028 721 ASP 94 N 0.0074 -0.0124 -0.0038 722 ASP 94 CA 0.0075 -0.0125 -0.0037 723 ASP 94 C 0.0073 -0.0124 -0.0030 724 ASP 94 O 0.0073 -0.0124 -0.0029 725 ASP 94 CB 0.0081 -0.0130 -0.0037 726 ASP 94 CG 0.0083 -0.0132 -0.0044 727 ASP 94 OD1 0.0082 -0.0131 -0.0048 728 ASP 94 OD2 0.0086 -0.0135 -0.0045 729 ASP 95 N 0.0077 -0.0127 -0.0014 730 ASP 95 CA 0.0077 -0.0124 -0.0003 731 ASP 95 C 0.0072 -0.0111 0.0001 732 ASP 95 O 0.0071 -0.0106 0.0007 733 ASP 95 CB 0.0081 -0.0131 0.0008 734 ASP 95 CG 0.0085 -0.0144 0.0005 735 ASP 95 OD1 0.0087 -0.0148 -0.0001 736 ASP 95 OD2 0.0088 -0.0150 0.0007 737 GLY 96 N 0.0070 -0.0105 -0.0001 738 GLY 96 CA 0.0065 -0.0092 0.0003 739 GLY 96 C 0.0063 -0.0087 0.0001 740 GLY 96 O 0.0064 -0.0092 -0.0008 741 PHE 97 N 0.0055 -0.0079 -0.0000 742 PHE 97 CA 0.0052 -0.0079 -0.0006 743 PHE 97 C 0.0057 -0.0080 0.0000 744 PHE 97 O 0.0057 -0.0076 0.0010 745 PHE 97 CB 0.0041 -0.0071 -0.0007 746 PHE 97 CG 0.0035 -0.0069 -0.0013 747 PHE 97 CD1 0.0033 -0.0073 -0.0024 748 PHE 97 CD2 0.0031 -0.0064 -0.0007 749 PHE 97 CE1 0.0027 -0.0071 -0.0030 750 PHE 97 CE2 0.0026 -0.0062 -0.0013 751 PHE 97 CZ 0.0024 -0.0066 -0.0024 752 LYS 98 N 0.0060 -0.0085 -0.0005 753 LYS 98 CA 0.0064 -0.0086 -0.0000 754 LYS 98 C 0.0057 -0.0082 -0.0004 755 LYS 98 O 0.0053 -0.0083 -0.0014 756 LYS 98 CB 0.0073 -0.0095 -0.0004 757 LYS 98 CG 0.0081 -0.0099 0.0001 758 LYS 98 CD 0.0089 -0.0108 -0.0005 759 LYS 98 CE 0.0086 -0.0111 -0.0017 760 LYS 98 NZ 0.0094 -0.0120 -0.0023 761 ALA 99 N 0.0058 -0.0074 0.0019 762 ALA 99 CA 0.0049 -0.0072 0.0014 763 ALA 99 C 0.0057 -0.0076 0.0012 764 ALA 99 O 0.0065 -0.0076 0.0021 765 ALA 99 CB 0.0040 -0.0064 0.0024 766 VAL 100 N 0.0055 -0.0080 0.0000 767 VAL 100 CA 0.0061 -0.0084 -0.0003 768 VAL 100 C 0.0050 -0.0081 -0.0006 769 VAL 100 O 0.0040 -0.0080 -0.0013 770 VAL 100 CB 0.0068 -0.0092 -0.0015 771 VAL 100 CG1 0.0074 -0.0096 -0.0019 772 VAL 100 CG2 0.0078 -0.0095 -0.0012 773 VAL 101 N 0.0057 -0.0081 0.0015 774 VAL 101 CA 0.0044 -0.0077 0.0011 775 VAL 101 C 0.0051 -0.0081 0.0004 776 VAL 101 O 0.0063 -0.0084 0.0012 777 VAL 101 CB 0.0034 -0.0068 0.0026 778 VAL 101 CG1 0.0020 -0.0064 0.0021 779 VAL 101 CG2 0.0029 -0.0064 0.0034 780 GLY 102 N 0.0044 -0.0083 -0.0010 781 GLY 102 CA 0.0051 -0.0088 -0.0019 782 GLY 102 C 0.0068 -0.0096 -0.0022 783 GLY 102 O 0.0072 -0.0099 -0.0029 784 ASP 103 N 0.0052 -0.0096 -0.0051 785 ASP 103 CA 0.0070 -0.0097 -0.0055 786 ASP 103 C 0.0081 -0.0093 -0.0039 787 ASP 103 O 0.0096 -0.0092 -0.0040 788 ASP 103 CB 0.0077 -0.0100 -0.0069 789 ASP 103 CG 0.0086 -0.0103 -0.0083 790 ASP 103 OD1 0.0084 -0.0103 -0.0084 791 ASP 103 OD2 0.0095 -0.0105 -0.0094 792 ALA 104 N 0.0072 -0.0090 -0.0024 793 ALA 104 CA 0.0082 -0.0086 -0.0009 794 ALA 104 C 0.0080 -0.0083 0.0004 795 ALA 104 O 0.0065 -0.0082 0.0008 796 ALA 104 CB 0.0078 -0.0084 -0.0001 797 GLN 105 N 0.0100 -0.0097 0.0037 798 GLN 105 CA 0.0098 -0.0094 0.0040 799 GLN 105 C 0.0092 -0.0082 0.0055 800 GLN 105 O 0.0097 -0.0081 0.0068 801 GLN 105 CB 0.0111 -0.0105 0.0043 802 GLN 105 CG 0.0111 -0.0101 0.0051 803 GLN 105 CD 0.0101 -0.0097 0.0039 804 GLN 105 OE1 0.0098 -0.0101 0.0024 805 GLN 105 NE2 0.0096 -0.0089 0.0047 806 TYR 106 N 0.0081 -0.0073 0.0053 807 TYR 106 CA 0.0073 -0.0061 0.0065 808 TYR 106 C 0.0073 -0.0057 0.0075 809 TYR 106 O 0.0074 -0.0052 0.0090 810 TYR 106 CB 0.0058 -0.0051 0.0057 811 TYR 106 CG 0.0049 -0.0038 0.0069 812 TYR 106 CD1 0.0051 -0.0035 0.0083 813 TYR 106 CD2 0.0038 -0.0029 0.0067 814 TYR 106 CE1 0.0043 -0.0023 0.0094 815 TYR 106 CE2 0.0030 -0.0017 0.0079 816 TYR 106 CZ 0.0033 -0.0014 0.0092 817 TYR 106 OH 0.0025 -0.0002 0.0104 818 HIS 107 N 0.0075 -0.0062 0.0079 819 HIS 107 CA 0.0073 -0.0057 0.0086 820 HIS 107 C 0.0075 -0.0066 0.0073 821 HIS 107 O 0.0070 -0.0070 0.0057 822 HIS 107 CB 0.0060 -0.0041 0.0088 823 HIS 107 CG 0.0058 -0.0034 0.0098 824 HIS 107 ND1 0.0064 -0.0030 0.0116 825 HIS 107 CD2 0.0051 -0.0030 0.0092 826 HIS 107 CE1 0.0061 -0.0024 0.0121 827 HIS 107 NE2 0.0053 -0.0024 0.0107 828 HIS 108 N 0.0080 -0.0068 0.0079 829 HIS 108 CA 0.0080 -0.0074 0.0068 830 HIS 108 C 0.0071 -0.0062 0.0072 831 HIS 108 O 0.0074 -0.0057 0.0087 832 HIS 108 CB 0.0094 -0.0087 0.0072 833 HIS 108 CG 0.0094 -0.0094 0.0059 834 HIS 108 ND1 0.0095 -0.0092 0.0065 835 HIS 108 CD2 0.0091 -0.0100 0.0042 836 HIS 108 CE1 0.0094 -0.0099 0.0051 837 HIS 108 NE2 0.0091 -0.0104 0.0037 838 PHE 109 N 0.0063 -0.0062 0.0063 839 PHE 109 CA 0.0056 -0.0052 0.0063 840 PHE 109 C 0.0057 -0.0060 0.0053 841 PHE 109 O 0.0054 -0.0065 0.0039 842 PHE 109 CB 0.0044 -0.0040 0.0055 843 PHE 109 CG 0.0035 -0.0028 0.0055 844 PHE 109 CD1 0.0033 -0.0017 0.0068 845 PHE 109 CD2 0.0029 -0.0028 0.0042 846 PHE 109 CE1 0.0025 -0.0006 0.0068 847 PHE 109 CE2 0.0021 -0.0017 0.0042 848 PHE 109 CZ 0.0019 -0.0006 0.0055 849 ARG 110 N 0.0062 -0.0061 0.0061 850 ARG 110 N 0.0062 -0.0062 0.0061 851 ARG 110 CA 0.0064 -0.0069 0.0053 852 ARG 110 CA 0.0064 -0.0069 0.0052 853 ARG 110 C 0.0053 -0.0061 0.0041 854 ARG 110 C 0.0053 -0.0062 0.0041 855 ARG 110 O 0.0045 -0.0049 0.0044 856 ARG 110 O 0.0045 -0.0049 0.0044 857 ARG 110 CB 0.0070 -0.0070 0.0065 858 ARG 110 CB 0.0071 -0.0072 0.0064 859 ARG 110 CG 0.0073 -0.0078 0.0059 860 ARG 110 CG 0.0078 -0.0086 0.0058 861 ARG 110 CD 0.0083 -0.0083 0.0071 862 ARG 110 CD 0.0072 -0.0086 0.0044 863 ARG 110 NE 0.0087 -0.0093 0.0065 864 ARG 110 NE 0.0078 -0.0100 0.0034 865 ARG 110 CZ 0.0095 -0.0107 0.0062 866 ARG 110 CZ 0.0074 -0.0102 0.0021 867 ARG 110 NH1 0.0101 -0.0113 0.0065 868 ARG 110 NH1 0.0064 -0.0092 0.0016 869 ARG 110 NH2 0.0098 -0.0115 0.0056 870 ARG 110 NH2 0.0079 -0.0115 0.0013 871 HIS 111 N 0.0057 -0.0071 0.0031 872 HIS 111 CA 0.0048 -0.0064 0.0019 873 HIS 111 C 0.0044 -0.0056 0.0028 874 HIS 111 O 0.0052 -0.0062 0.0037 875 HIS 111 CB 0.0051 -0.0075 0.0003 876 HIS 111 CG 0.0052 -0.0082 -0.0009 877 HIS 111 ND1 0.0044 -0.0074 -0.0015 878 HIS 111 CD2 0.0061 -0.0096 -0.0016 879 HIS 111 CE1 0.0048 -0.0083 -0.0025 880 HIS 111 NE2 0.0058 -0.0096 -0.0026 881 ARG 112 N 0.0033 -0.0043 0.0025 882 ARG 112 CA 0.0028 -0.0035 0.0030 883 ARG 112 C 0.0022 -0.0034 0.0013 884 ARG 112 O 0.0023 -0.0036 0.0013 885 ARG 112 CB 0.0020 -0.0020 0.0041 886 ARG 112 CG 0.0026 -0.0021 0.0057 887 ARG 112 CD 0.0017 -0.0007 0.0065 888 ARG 112 NE 0.0022 -0.0006 0.0082 889 ARG 112 CZ 0.0016 0.0006 0.0092 890 ARG 112 NH1 0.0005 0.0018 0.0087 891 ARG 112 NH2 0.0021 0.0006 0.0107 892 LEU 113 N 0.0020 -0.0032 0.0009 893 LEU 113 CA 0.0015 -0.0033 -0.0007 894 LEU 113 C 0.0024 -0.0047 -0.0017 895 LEU 113 O 0.0029 -0.0052 -0.0015 896 LEU 113 CB 0.0003 -0.0022 -0.0016 897 LEU 113 CG -0.0007 -0.0007 -0.0009 898 LEU 113 CD1 -0.0005 -0.0003 0.0008 899 LEU 113 CD2 -0.0018 0.0001 -0.0021 900 PRO 114 N 0.0024 -0.0052 -0.0029 901 PRO 114 CA 0.0031 -0.0064 -0.0041 902 PRO 114 C 0.0026 -0.0062 -0.0051 903 PRO 114 O 0.0015 -0.0052 -0.0058 904 PRO 114 CB 0.0030 -0.0067 -0.0052 905 PRO 114 CG 0.0026 -0.0059 -0.0042 906 PRO 114 CD 0.0019 -0.0047 -0.0033 907 LEU 115 N 0.0039 -0.0073 -0.0046 908 LEU 115 CA 0.0037 -0.0074 -0.0053 909 LEU 115 C 0.0029 -0.0073 -0.0070 910 LEU 115 O 0.0023 -0.0067 -0.0076 911 LEU 115 CB 0.0046 -0.0087 -0.0052 912 LEU 115 CG 0.0045 -0.0091 -0.0059 913 LEU 115 CD1 0.0042 -0.0080 -0.0051 914 LEU 115 CD2 0.0056 -0.0105 -0.0057 915 ALA 116 N 0.0029 -0.0078 -0.0078 916 ALA 116 CA 0.0022 -0.0078 -0.0094 917 ALA 116 C 0.0011 -0.0064 -0.0098 918 ALA 116 O 0.0004 -0.0062 -0.0111 919 ALA 116 CB 0.0025 -0.0087 -0.0101 920 ARG 117 N 0.0001 -0.0052 -0.0088 921 ARG 117 N 0.0002 -0.0052 -0.0087 922 ARG 117 CA -0.0010 -0.0038 -0.0091 923 ARG 117 CA -0.0009 -0.0037 -0.0089 924 ARG 117 C -0.0015 -0.0030 -0.0092 925 ARG 117 C -0.0015 -0.0031 -0.0092 926 ARG 117 O -0.0024 -0.0020 -0.0098 927 ARG 117 O -0.0024 -0.0020 -0.0099 928 ARG 117 CB -0.0012 -0.0028 -0.0078 929 ARG 117 CB -0.0010 -0.0028 -0.0074 930 ARG 117 CG -0.0008 -0.0032 -0.0077 931 ARG 117 CG -0.0008 -0.0030 -0.0071 932 ARG 117 CD -0.0013 -0.0020 -0.0066 933 ARG 117 CD -0.0013 -0.0016 -0.0060 934 ARG 117 NE -0.0007 -0.0025 -0.0061 935 ARG 117 NE -0.0024 -0.0004 -0.0068 936 ARG 117 CZ -0.0006 -0.0019 -0.0047 937 ARG 117 CZ -0.0031 0.0010 -0.0062 938 ARG 117 NH1 -0.0010 -0.0008 -0.0037 939 ARG 117 NH1 -0.0029 0.0015 -0.0045 940 ARG 117 NH2 -0.0000 -0.0026 -0.0043 941 ARG 117 NH2 -0.0041 0.0019 -0.0072 942 VAL 118 N -0.0009 -0.0036 -0.0087 943 VAL 118 CA -0.0014 -0.0029 -0.0087 944 VAL 118 C -0.0020 -0.0029 -0.0105 945 VAL 118 O -0.0016 -0.0041 -0.0115 946 VAL 118 CB -0.0006 -0.0036 -0.0078 947 VAL 118 CG1 -0.0011 -0.0029 -0.0079 948 VAL 118 CG2 -0.0000 -0.0035 -0.0060 949 ARG 119 N -0.0037 -0.0019 -0.0110 950 ARG 119 CA -0.0046 -0.0019 -0.0128 951 ARG 119 C -0.0053 -0.0012 -0.0130 952 ARG 119 O -0.0060 -0.0012 -0.0145 953 ARG 119 CB -0.0057 -0.0011 -0.0137 954 ARG 119 CG -0.0058 -0.0021 -0.0156 955 ARG 119 CD -0.0071 -0.0012 -0.0164 956 ARG 119 NE -0.0073 -0.0020 -0.0183 957 ARG 119 CZ -0.0080 -0.0021 -0.0198 958 ARG 119 NH1 -0.0086 -0.0013 -0.0198 959 ARG 119 NH2 -0.0081 -0.0029 -0.0214 960 LEU 120 N -0.0051 -0.0005 -0.0115 961 LEU 120 CA -0.0058 0.0003 -0.0115 962 LEU 120 C -0.0050 0.0004 -0.0098 963 LEU 120 O -0.0044 0.0005 -0.0083 964 LEU 120 CB -0.0072 0.0020 -0.0114 965 LEU 120 CG -0.0082 0.0032 -0.0113 966 LEU 120 CD1 -0.0086 0.0027 -0.0130 967 LEU 120 CD2 -0.0094 0.0048 -0.0110 968 VAL 121 N -0.0050 -0.0000 -0.0099 969 VAL 121 CA -0.0044 0.0003 -0.0085 970 VAL 121 C -0.0055 0.0016 -0.0084 971 VAL 121 O -0.0063 0.0017 -0.0097 972 VAL 121 CB -0.0033 -0.0011 -0.0086 973 VAL 121 CG1 -0.0029 -0.0008 -0.0072 974 VAL 121 CG2 -0.0022 -0.0025 -0.0084 975 GLU 122 N -0.0057 0.0027 -0.0069 976 GLU 122 CA -0.0067 0.0041 -0.0067 977 GLU 122 C -0.0060 0.0043 -0.0052 978 GLU 122 O -0.0053 0.0042 -0.0037 979 GLU 122 CB -0.0077 0.0055 -0.0064 980 GLU 122 CG -0.0089 0.0070 -0.0063 981 GLU 122 CD -0.0100 0.0084 -0.0062 982 GLU 122 OE1 -0.0100 0.0082 -0.0066 983 GLU 122 OE2 -0.0108 0.0096 -0.0057 984 VAL 123 N -0.0068 0.0043 -0.0058 985 VAL 123 CA -0.0064 0.0045 -0.0044 986 VAL 123 C -0.0076 0.0060 -0.0043 987 VAL 123 O -0.0085 0.0063 -0.0056 988 VAL 123 CB -0.0056 0.0033 -0.0050 989 VAL 123 CG1 -0.0051 0.0035 -0.0035 990 VAL 123 CG2 -0.0044 0.0018 -0.0054 991 GLY 124 N -0.0077 0.0070 -0.0027 992 GLY 124 CA -0.0090 0.0085 -0.0024 993 GLY 124 C -0.0088 0.0093 -0.0005 994 GLY 124 O -0.0076 0.0085 0.0006 995 GLY 125 N -0.0110 0.0112 -0.0010 996 GLY 125 CA -0.0109 0.0121 0.0008 997 GLY 125 C -0.0107 0.0119 0.0007 998 GLY 125 O -0.0112 0.0116 -0.0007 999 ASP 126 N -0.0100 0.0121 0.0024 1000 ASP 126 CA -0.0099 0.0122 0.0026 1001 ASP 126 C -0.0087 0.0105 0.0022 1002 ASP 126 O -0.0075 0.0100 0.0034 1003 ASP 126 CB -0.0097 0.0132 0.0045 1004 ASP 126 CG -0.0109 0.0148 0.0050 1005 ASP 126 OD1 -0.0121 0.0155 0.0038 1006 ASP 126 OD2 -0.0106 0.0155 0.0067 1007 VAL 127 N -0.0087 0.0092 0.0008 1008 VAL 127 CA -0.0076 0.0074 0.0002 1009 VAL 127 C -0.0085 0.0071 -0.0017 1010 VAL 127 O -0.0097 0.0078 -0.0029 1011 VAL 127 CB -0.0067 0.0061 -0.0001 1012 VAL 127 CG1 -0.0078 0.0063 -0.0016 1013 VAL 127 CG2 -0.0055 0.0042 -0.0006 1014 GLN 128 N -0.0078 0.0060 -0.0020 1015 GLN 128 CA -0.0085 0.0054 -0.0039 1016 GLN 128 C -0.0075 0.0035 -0.0049 1017 GLN 128 O -0.0063 0.0023 -0.0044 1018 GLN 128 CB -0.0087 0.0059 -0.0036 1019 GLN 128 CG -0.0098 0.0079 -0.0028 1020 GLN 128 CD -0.0102 0.0084 -0.0028 1021 GLN 128 OE1 -0.0092 0.0080 -0.0017 1022 GLN 128 NE2 -0.0115 0.0090 -0.0042 1023 LEU 129 N -0.0066 0.0031 -0.0049 1024 LEU 129 CA -0.0057 0.0015 -0.0056 1025 LEU 129 C -0.0055 0.0003 -0.0069 1026 LEU 129 O -0.0066 0.0007 -0.0080 1027 LEU 129 CB -0.0063 0.0014 -0.0066 1028 LEU 129 CG -0.0061 0.0022 -0.0054 1029 LEU 129 CD1 -0.0070 0.0023 -0.0065 1030 LEU 129 CD2 -0.0045 0.0011 -0.0043 1031 ASP 130 N -0.0042 -0.0011 -0.0066 1032 ASP 130 CA -0.0038 -0.0024 -0.0079 1033 ASP 130 C -0.0040 -0.0034 -0.0094 1034 ASP 130 O -0.0049 -0.0035 -0.0109 1035 ASP 130 CB -0.0023 -0.0034 -0.0069 1036 ASP 130 CG -0.0018 -0.0049 -0.0080 1037 ASP 130 OD1 -0.0024 -0.0054 -0.0096 1038 ASP 130 OD2 -0.0007 -0.0055 -0.0072 1039 SER 131 N -0.0007 -0.0051 -0.0072 1040 SER 131 CA -0.0007 -0.0056 -0.0080 1041 SER 131 C -0.0003 -0.0056 -0.0073 1042 SER 131 O 0.0003 -0.0055 -0.0063 1043 SER 131 CB -0.0000 -0.0067 -0.0086 1044 SER 131 OG 0.0010 -0.0072 -0.0079 1045 VAL 132 N -0.0006 -0.0056 -0.0080 1046 VAL 132 CA -0.0002 -0.0058 -0.0076 1047 VAL 132 C 0.0000 -0.0066 -0.0085 1048 VAL 132 O -0.0006 -0.0067 -0.0095 1049 VAL 132 CB -0.0010 -0.0048 -0.0074 1050 VAL 132 CG1 -0.0006 -0.0050 -0.0070 1051 VAL 132 CG2 -0.0013 -0.0040 -0.0064 1052 ARG 133 N 0.0027 -0.0076 -0.0060 1053 ARG 133 CA 0.0028 -0.0081 -0.0065 1054 ARG 133 C 0.0030 -0.0086 -0.0065 1055 ARG 133 O 0.0030 -0.0087 -0.0059 1056 ARG 133 CB 0.0029 -0.0085 -0.0064 1057 ARG 133 CG 0.0028 -0.0081 -0.0066 1058 ARG 133 CD 0.0027 -0.0080 -0.0073 1059 ARG 133 NE 0.0026 -0.0078 -0.0075 1060 ARG 133 CZ 0.0024 -0.0071 -0.0074 1061 ARG 133 NH1 0.0023 -0.0067 -0.0072 1062 ARG 133 NH2 0.0023 -0.0069 -0.0075 1063 ILE 134 N 0.0030 -0.0089 -0.0071 1064 ILE 134 CA 0.0032 -0.0094 -0.0071 1065 ILE 134 C 0.0033 -0.0100 -0.0074 1066 ILE 134 O 0.0033 -0.0100 -0.0080 1067 ILE 134 CB 0.0031 -0.0091 -0.0074 1068 ILE 134 CG1 0.0029 -0.0086 -0.0070 1069 ILE 134 CG2 0.0032 -0.0097 -0.0074 1070 ILE 134 CD1 0.0027 -0.0080 -0.0074 1071 PHE 135 N 0.0067 -0.0114 -0.0046 1072 PHE 135 CA 0.0067 -0.0115 -0.0046 1073 PHE 135 C 0.0066 -0.0115 -0.0046 1074 PHE 135 O 0.0066 -0.0115 -0.0047 1075 PHE 135 CB 0.0067 -0.0115 -0.0045 1076 PHE 135 CG 0.0067 -0.0115 -0.0044 1077 PHE 135 CD1 0.0067 -0.0114 -0.0045 1078 PHE 135 CD2 0.0067 -0.0114 -0.0044 1079 PHE 135 CE1 0.0067 -0.0114 -0.0044 1080 PHE 135 CE2 0.0067 -0.0114 -0.0043 1081 PHE 135 CZ 0.0067 -0.0114 -0.0044 1082 PHE 135 OXT 0.0066 -0.0115 -0.0046 1083 PRO -2 N 0.0428 -0.0377 0.0483 1084 PRO -2 CA 0.0306 -0.0239 -0.0111 1085 PRO -2 C 0.0052 0.0112 0.0303 1086 PRO -2 O 0.0299 -0.0206 0.0509 1087 PRO -2 CB 0.0823 -0.0933 -0.0435 1088 PRO -2 CG 0.1219 -0.1433 0.0142 1089 PRO -2 CD 0.0940 -0.1039 0.0842 1090 ALA -1 N -0.0441 0.0765 0.0409 1091 ALA -1 CA -0.0710 0.1140 0.0955 1092 ALA -1 C -0.0910 0.1386 0.0484 1093 ALA -1 O -0.1363 0.1982 0.0454 1094 ALA -1 CB -0.1142 0.1724 0.1357 1095 MET 0 N -0.0585 0.1070 -0.0111 1096 MET 0 CA -0.0651 0.1085 -0.0410 1097 MET 0 C -0.0375 0.0671 -0.0264 1098 MET 0 O -0.0138 0.0304 -0.0181 1099 MET 0 CB -0.0733 0.1025 -0.1013 1100 MET 0 CG -0.0849 0.1103 -0.1368 1101 MET 0 SD -0.1224 0.1714 -0.1413 1102 MET 0 CE -0.1375 0.1949 -0.1463 1103 SER 1 N -0.0402 0.0730 -0.0224 1104 SER 1 CA -0.0152 0.0329 -0.0178 1105 SER 1 C -0.0237 0.0342 -0.0572 1106 SER 1 O -0.0493 0.0688 -0.0817 1107 SER 1 CB -0.0033 0.0318 0.0399 1108 SER 1 OG -0.0258 0.0758 0.0604 1109 ASN 2 N -0.0182 0.0185 -0.0238 1110 ASN 2 CA -0.0194 0.0142 -0.0269 1111 ASN 2 C -0.0172 0.0176 -0.0228 1112 ASN 2 O -0.0128 0.0204 -0.0163 1113 ASN 2 CB -0.0173 0.0041 -0.0280 1114 ASN 2 CG -0.0114 0.0009 -0.0218 1115 ASN 2 OD1 -0.0072 0.0035 -0.0156 1116 ASN 2 ND2 -0.0109 -0.0055 -0.0234 1117 VAL 3 N -0.0204 0.0180 -0.0267 1118 VAL 3 CA -0.0182 0.0190 -0.0235 1119 VAL 3 C -0.0126 0.0116 -0.0194 1120 VAL 3 O -0.0124 0.0041 -0.0218 1121 VAL 3 CB -0.0228 0.0190 -0.0292 1122 VAL 3 CG1 -0.0207 0.0212 -0.0258 1123 VAL 3 CG2 -0.0286 0.0254 -0.0341 1124 PRO 4 N -0.0069 0.0105 -0.0129 1125 PRO 4 CA -0.0054 0.0087 -0.0117 1126 PRO 4 C -0.0056 0.0067 -0.0128 1127 PRO 4 O -0.0066 0.0072 -0.0138 1128 PRO 4 CB -0.0045 0.0101 -0.0099 1129 PRO 4 CG -0.0052 0.0127 -0.0097 1130 PRO 4 CD -0.0068 0.0130 -0.0118 1131 HIS 5 N -0.0048 0.0045 -0.0125 1132 HIS 5 CA -0.0049 0.0024 -0.0135 1133 HIS 5 C -0.0043 0.0025 -0.0127 1134 HIS 5 O -0.0031 0.0030 -0.0108 1135 HIS 5 CB -0.0039 0.0001 -0.0131 1136 HIS 5 CG -0.0037 -0.0021 -0.0138 1137 HIS 5 ND1 -0.0048 -0.0033 -0.0158 1138 HIS 5 CD2 -0.0027 -0.0032 -0.0129 1139 HIS 5 CE1 -0.0045 -0.0051 -0.0160 1140 HIS 5 NE2 -0.0032 -0.0051 -0.0143 1141 LYS 6 N -0.0046 0.0023 -0.0132 1142 LYS 6 CA -0.0047 0.0024 -0.0131 1143 LYS 6 C -0.0045 0.0012 -0.0143 1144 LYS 6 O -0.0049 0.0009 -0.0157 1145 LYS 6 CB -0.0056 0.0041 -0.0134 1146 LYS 6 CG -0.0059 0.0054 -0.0121 1147 LYS 6 CD -0.0068 0.0070 -0.0124 1148 LYS 6 CE -0.0076 0.0077 -0.0134 1149 LYS 6 NZ -0.0084 0.0095 -0.0131 1150 SER 7 N -0.0039 0.0004 -0.0137 1151 SER 7 CA -0.0037 -0.0007 -0.0147 1152 SER 7 C -0.0037 -0.0002 -0.0143 1153 SER 7 O -0.0033 -0.0000 -0.0128 1154 SER 7 CB -0.0026 -0.0023 -0.0143 1155 SER 7 OG -0.0026 -0.0031 -0.0152 1156 SER 8 N -0.0042 -0.0000 -0.0161 1157 SER 8 CA -0.0041 0.0001 -0.0158 1158 SER 8 C -0.0032 -0.0015 -0.0156 1159 SER 8 O -0.0029 -0.0027 -0.0164 1160 SER 8 CB -0.0050 0.0007 -0.0172 1161 SER 8 OG -0.0058 0.0023 -0.0173 1162 LEU 9 N -0.0029 -0.0014 -0.0146 1163 LEU 9 CA -0.0021 -0.0028 -0.0145 1164 LEU 9 C -0.0025 -0.0031 -0.0158 1165 LEU 9 O -0.0030 -0.0020 -0.0158 1166 LEU 9 CB -0.0014 -0.0027 -0.0128 1167 LEU 9 CG -0.0007 -0.0029 -0.0113 1168 LEU 9 CD1 -0.0013 -0.0018 -0.0113 1169 LEU 9 CD2 -0.0002 -0.0026 -0.0096 1170 PRO 10 N -0.0021 -0.0043 -0.0150 1171 PRO 10 CA -0.0025 -0.0048 -0.0156 1172 PRO 10 C -0.0019 -0.0055 -0.0149 1173 PRO 10 O -0.0021 -0.0054 -0.0152 1174 PRO 10 CB -0.0029 -0.0059 -0.0165 1175 PRO 10 CG -0.0025 -0.0065 -0.0159 1176 PRO 10 CD -0.0020 -0.0053 -0.0150 1177 GLU 11 N -0.0013 -0.0061 -0.0140 1178 GLU 11 CA -0.0007 -0.0068 -0.0132 1179 GLU 11 C -0.0001 -0.0059 -0.0121 1180 GLU 11 O 0.0004 -0.0063 -0.0114 1181 GLU 11 CB -0.0004 -0.0082 -0.0129 1182 GLU 11 CG -0.0010 -0.0091 -0.0140 1183 GLU 11 CD -0.0007 -0.0105 -0.0137 1184 GLU 11 OE1 0.0000 -0.0107 -0.0126 1185 GLU 11 OE2 -0.0011 -0.0113 -0.0145 1186 GLY 12 N -0.0010 -0.0048 -0.0146 1187 GLY 12 CA -0.0010 -0.0041 -0.0133 1188 GLY 12 C 0.0001 -0.0048 -0.0122 1189 GLY 12 O 0.0007 -0.0055 -0.0122 1190 ILE 13 N 0.0004 -0.0046 -0.0112 1191 ILE 13 CA 0.0014 -0.0050 -0.0099 1192 ILE 13 C 0.0020 -0.0054 -0.0093 1193 ILE 13 O 0.0016 -0.0049 -0.0093 1194 ILE 13 CB 0.0011 -0.0040 -0.0087 1195 ILE 13 CG1 0.0021 -0.0046 -0.0077 1196 ILE 13 CG2 0.0007 -0.0030 -0.0081 1197 ILE 13 CD1 0.0019 -0.0038 -0.0068 1198 ARG 14 N 0.0043 -0.0082 -0.0069 1199 ARG 14 CA 0.0047 -0.0085 -0.0065 1200 ARG 14 C 0.0051 -0.0088 -0.0061 1201 ARG 14 O 0.0049 -0.0088 -0.0063 1202 ARG 14 CB 0.0047 -0.0091 -0.0068 1203 ARG 14 CG 0.0043 -0.0089 -0.0071 1204 ARG 14 CD 0.0043 -0.0096 -0.0074 1205 ARG 14 NE 0.0040 -0.0094 -0.0077 1206 ARG 14 CZ 0.0041 -0.0090 -0.0075 1207 ARG 14 NH1 0.0045 -0.0088 -0.0069 1208 ARG 14 NH2 0.0038 -0.0089 -0.0078 1209 PRO 15 N 0.0055 -0.0090 -0.0056 1210 PRO 15 CA 0.0058 -0.0093 -0.0053 1211 PRO 15 C 0.0057 -0.0100 -0.0057 1212 PRO 15 O 0.0056 -0.0104 -0.0060 1213 PRO 15 CB 0.0062 -0.0095 -0.0048 1214 PRO 15 CG 0.0062 -0.0090 -0.0047 1215 PRO 15 CD 0.0057 -0.0089 -0.0053 1216 GLY 16 N 0.0070 -0.0100 -0.0049 1217 GLY 16 CA 0.0072 -0.0105 -0.0055 1218 GLY 16 C 0.0069 -0.0104 -0.0060 1219 GLY 16 O 0.0071 -0.0108 -0.0064 1220 THR 17 N 0.0065 -0.0097 -0.0060 1221 THR 17 CA 0.0062 -0.0095 -0.0064 1222 THR 17 C 0.0065 -0.0096 -0.0059 1223 THR 17 O 0.0066 -0.0094 -0.0052 1224 THR 17 CB 0.0057 -0.0087 -0.0065 1225 THR 17 OG1 0.0055 -0.0086 -0.0069 1226 THR 17 CG2 0.0054 -0.0085 -0.0068 1227 VAL 18 N 0.0070 -0.0094 -0.0060 1228 VAL 18 N 0.0070 -0.0094 -0.0060 1229 VAL 18 CA 0.0071 -0.0097 -0.0057 1230 VAL 18 CA 0.0071 -0.0097 -0.0057 1231 VAL 18 C 0.0069 -0.0094 -0.0062 1232 VAL 18 C 0.0069 -0.0095 -0.0062 1233 VAL 18 O 0.0068 -0.0094 -0.0070 1234 VAL 18 O 0.0069 -0.0096 -0.0069 1235 VAL 18 CB 0.0075 -0.0106 -0.0059 1236 VAL 18 CB 0.0075 -0.0105 -0.0056 1237 VAL 18 CG1 0.0077 -0.0109 -0.0056 1238 VAL 18 CG1 0.0077 -0.0107 -0.0052 1239 VAL 18 CG2 0.0077 -0.0109 -0.0054 1240 VAL 18 CG2 0.0075 -0.0109 -0.0064 1241 LEU 19 N 0.0068 -0.0091 -0.0058 1242 LEU 19 CA 0.0067 -0.0089 -0.0062 1243 LEU 19 C 0.0069 -0.0094 -0.0060 1244 LEU 19 O 0.0071 -0.0095 -0.0053 1245 LEU 19 CB 0.0064 -0.0081 -0.0060 1246 LEU 19 CG 0.0061 -0.0075 -0.0062 1247 LEU 19 CD1 0.0061 -0.0073 -0.0054 1248 LEU 19 CD2 0.0057 -0.0068 -0.0064 1249 ARG 20 N 0.0073 -0.0094 -0.0063 1250 ARG 20 CA 0.0073 -0.0098 -0.0063 1251 ARG 20 C 0.0073 -0.0097 -0.0066 1252 ARG 20 O 0.0073 -0.0095 -0.0070 1253 ARG 20 CB 0.0074 -0.0102 -0.0065 1254 ARG 20 CG 0.0075 -0.0106 -0.0065 1255 ARG 20 CD 0.0076 -0.0111 -0.0065 1256 ARG 20 NE 0.0076 -0.0111 -0.0070 1257 ARG 20 CZ 0.0077 -0.0115 -0.0071 1258 ARG 20 NH1 0.0077 -0.0117 -0.0067 1259 ARG 20 NH2 0.0077 -0.0114 -0.0075 1260 ILE 21 N 0.0073 -0.0097 -0.0064 1261 ILE 21 CA 0.0073 -0.0096 -0.0066 1262 ILE 21 C 0.0074 -0.0100 -0.0066 1263 ILE 21 O 0.0074 -0.0102 -0.0062 1264 ILE 21 CB 0.0072 -0.0092 -0.0063 1265 ILE 21 CG1 0.0072 -0.0088 -0.0063 1266 ILE 21 CG2 0.0072 -0.0091 -0.0066 1267 ILE 21 CD1 0.0071 -0.0085 -0.0059 1268 ARG 22 N 0.0079 -0.0110 -0.0077 1269 ARG 22 CA 0.0080 -0.0114 -0.0078 1270 ARG 22 C 0.0079 -0.0112 -0.0080 1271 ARG 22 O 0.0078 -0.0109 -0.0083 1272 ARG 22 CB 0.0081 -0.0119 -0.0082 1273 ARG 22 CG 0.0081 -0.0122 -0.0080 1274 ARG 22 CD 0.0082 -0.0125 -0.0084 1275 ARG 22 NE 0.0083 -0.0128 -0.0083 1276 ARG 22 CZ 0.0083 -0.0131 -0.0086 1277 ARG 22 NH1 0.0083 -0.0131 -0.0091 1278 ARG 22 NH2 0.0084 -0.0134 -0.0084 1279 GLY 23 N 0.0080 -0.0114 -0.0078 1280 GLY 23 CA 0.0079 -0.0111 -0.0079 1281 GLY 23 C 0.0080 -0.0115 -0.0077 1282 GLY 23 O 0.0081 -0.0119 -0.0075 1283 LEU 24 N 0.0081 -0.0108 -0.0066 1284 LEU 24 CA 0.0086 -0.0114 -0.0053 1285 LEU 24 C 0.0078 -0.0098 -0.0038 1286 LEU 24 O 0.0067 -0.0083 -0.0044 1287 LEU 24 CB 0.0089 -0.0120 -0.0067 1288 LEU 24 CG 0.0092 -0.0123 -0.0057 1289 LEU 24 CD1 0.0105 -0.0138 -0.0043 1290 LEU 24 CD2 0.0093 -0.0127 -0.0074 1291 VAL 25 N 0.0083 -0.0101 -0.0017 1292 VAL 25 CA 0.0075 -0.0087 -0.0002 1293 VAL 25 C 0.0076 -0.0088 -0.0001 1294 VAL 25 O 0.0086 -0.0102 0.0002 1295 VAL 25 CB 0.0080 -0.0089 0.0021 1296 VAL 25 CG1 0.0073 -0.0075 0.0037 1297 VAL 25 CG2 0.0080 -0.0089 0.0021 1298 PRO 26 N 0.0067 -0.0072 -0.0004 1299 PRO 26 CA 0.0068 -0.0073 -0.0004 1300 PRO 26 C 0.0073 -0.0076 0.0018 1301 PRO 26 O 0.0072 -0.0072 0.0035 1302 PRO 26 CB 0.0054 -0.0055 -0.0012 1303 PRO 26 CG 0.0047 -0.0043 -0.0008 1304 PRO 26 CD 0.0054 -0.0055 -0.0009 1305 PRO 27 N 0.0079 -0.0085 0.0019 1306 PRO 27 CA 0.0085 -0.0089 0.0039 1307 PRO 27 C 0.0076 -0.0073 0.0055 1308 PRO 27 O 0.0080 -0.0075 0.0075 1309 PRO 27 CB 0.0089 -0.0096 0.0032 1310 PRO 27 CG 0.0087 -0.0099 0.0008 1311 PRO 27 CD 0.0080 -0.0090 -0.0001 1312 ASN 28 N 0.0064 -0.0056 0.0048 1313 ASN 28 CA 0.0054 -0.0041 0.0062 1314 ASN 28 C 0.0046 -0.0028 0.0066 1315 ASN 28 O 0.0036 -0.0013 0.0075 1316 ASN 28 CB 0.0047 -0.0031 0.0054 1317 ASN 28 CG 0.0038 -0.0020 0.0034 1318 ASN 28 OD1 0.0039 -0.0023 0.0024 1319 ASN 28 ND2 0.0030 -0.0008 0.0028 1320 ALA 29 N 0.0049 -0.0033 0.0061 1321 ALA 29 CA 0.0041 -0.0021 0.0062 1322 ALA 29 C 0.0038 -0.0014 0.0084 1323 ALA 29 O 0.0045 -0.0023 0.0100 1324 ALA 29 CB 0.0047 -0.0031 0.0052 1325 SER 30 N 0.0027 0.0003 0.0084 1326 SER 30 CA 0.0023 0.0010 0.0100 1327 SER 30 C 0.0023 0.0010 0.0097 1328 SER 30 O 0.0028 0.0005 0.0109 1329 SER 30 CB 0.0009 0.0026 0.0104 1330 SER 30 OG 0.0003 0.0035 0.0114 1331 ARG 31 N 0.0018 0.0015 0.0080 1332 ARG 31 CA 0.0017 0.0015 0.0076 1333 ARG 31 C 0.0013 0.0017 0.0054 1334 ARG 31 O 0.0009 0.0022 0.0044 1335 ARG 31 CB 0.0007 0.0027 0.0087 1336 ARG 31 CG -0.0006 0.0042 0.0082 1337 ARG 31 CD -0.0014 0.0054 0.0096 1338 ARG 31 NE -0.0012 0.0052 0.0114 1339 ARG 31 CZ -0.0018 0.0061 0.0130 1340 ARG 31 NH1 -0.0028 0.0072 0.0129 1341 ARG 31 NH2 -0.0015 0.0059 0.0145 1342 PHE 32 N 0.0023 0.0011 0.0045 1343 PHE 32 CA 0.0017 0.0012 0.0027 1344 PHE 32 C 0.0017 0.0014 0.0028 1345 PHE 32 O 0.0021 0.0013 0.0044 1346 PHE 32 CB 0.0023 -0.0002 0.0012 1347 PHE 32 CG 0.0035 -0.0017 0.0014 1348 PHE 32 CD1 0.0045 -0.0028 0.0025 1349 PHE 32 CD2 0.0036 -0.0023 0.0003 1350 PHE 32 CE1 0.0055 -0.0043 0.0027 1351 PHE 32 CE2 0.0046 -0.0038 0.0005 1352 PHE 32 CZ 0.0056 -0.0048 0.0017 1353 HIS 33 N 0.0011 0.0017 0.0013 1354 HIS 33 CA 0.0009 0.0020 0.0014 1355 HIS 33 C 0.0009 0.0014 -0.0004 1356 HIS 33 O 0.0006 0.0013 -0.0020 1357 HIS 33 CB -0.0002 0.0038 0.0021 1358 HIS 33 CG -0.0012 0.0048 0.0006 1359 HIS 33 ND1 -0.0018 0.0056 0.0005 1360 HIS 33 CD2 -0.0019 0.0052 -0.0010 1361 HIS 33 CE1 -0.0027 0.0064 -0.0009 1362 HIS 33 NE2 -0.0028 0.0062 -0.0019 1363 VAL 34 N 0.0013 0.0005 -0.0003 1364 VAL 34 CA 0.0012 0.0002 -0.0018 1365 VAL 34 C 0.0005 0.0011 -0.0014 1366 VAL 34 O 0.0009 0.0012 -0.0000 1367 VAL 34 CB 0.0024 -0.0014 -0.0021 1368 VAL 34 CG1 0.0021 -0.0017 -0.0037 1369 VAL 34 CG2 0.0031 -0.0024 -0.0023 1370 ASN 35 N -0.0006 0.0020 -0.0026 1371 ASN 35 CA -0.0013 0.0029 -0.0024 1372 ASN 35 C -0.0014 0.0025 -0.0039 1373 ASN 35 O -0.0015 0.0021 -0.0054 1374 ASN 35 CB -0.0025 0.0045 -0.0023 1375 ASN 35 CG -0.0026 0.0051 -0.0007 1376 ASN 35 OD1 -0.0017 0.0046 0.0006 1377 ASN 35 ND2 -0.0035 0.0062 -0.0009 1378 LEU 36 N -0.0013 0.0020 -0.0033 1379 LEU 36 CA -0.0016 0.0019 -0.0046 1380 LEU 36 C -0.0028 0.0035 -0.0045 1381 LEU 36 O -0.0028 0.0042 -0.0031 1382 LEU 36 CB -0.0006 0.0008 -0.0042 1383 LEU 36 CG 0.0006 -0.0008 -0.0042 1384 LEU 36 CD1 0.0015 -0.0018 -0.0037 1385 LEU 36 CD2 0.0005 -0.0016 -0.0060 1386 LEU 37 N -0.0037 0.0040 -0.0060 1387 LEU 37 CA -0.0050 0.0055 -0.0061 1388 LEU 37 C -0.0054 0.0056 -0.0073 1389 LEU 37 O -0.0051 0.0045 -0.0084 1390 LEU 37 CB -0.0058 0.0063 -0.0069 1391 LEU 37 CG -0.0055 0.0063 -0.0059 1392 LEU 37 CD1 -0.0064 0.0071 -0.0068 1393 LEU 37 CD2 -0.0053 0.0071 -0.0040 1394 GLY 39 N -0.0090 0.0091 -0.0099 1395 GLY 39 CA -0.0100 0.0097 -0.0116 1396 GLY 39 C -0.0103 0.0100 -0.0118 1397 GLY 39 O -0.0097 0.0098 -0.0107 1398 GLU 40 N -0.0113 0.0107 -0.0132 1399 GLU 40 CA -0.0115 0.0107 -0.0139 1400 GLU 40 C -0.0123 0.0121 -0.0129 1401 GLU 40 O -0.0123 0.0122 -0.0129 1402 GLU 40 CB -0.0122 0.0108 -0.0159 1403 GLU 40 CG -0.0115 0.0093 -0.0171 1404 GLU 40 CD -0.0109 0.0082 -0.0178 1405 GLU 40 OE1 -0.0107 0.0084 -0.0170 1406 GLU 40 OE2 -0.0106 0.0073 -0.0192 1407 GLU 41 N -0.0136 0.0132 -0.0123 1408 GLU 41 CA -0.0144 0.0147 -0.0114 1409 GLU 41 C -0.0137 0.0145 -0.0096 1410 GLU 41 O -0.0126 0.0136 -0.0086 1411 GLU 41 CB -0.0153 0.0160 -0.0108 1412 GLU 41 CG -0.0163 0.0165 -0.0126 1413 GLU 41 CD -0.0167 0.0171 -0.0122 1414 GLU 41 OE1 -0.0158 0.0164 -0.0113 1415 GLU 41 OE2 -0.0179 0.0183 -0.0129 1416 GLN 42 N -0.0142 0.0152 -0.0094 1417 GLN 42 CA -0.0137 0.0153 -0.0076 1418 GLN 42 C -0.0137 0.0160 -0.0058 1419 GLN 42 O -0.0147 0.0172 -0.0058 1420 GLN 42 CB -0.0145 0.0163 -0.0076 1421 GLN 42 CG -0.0140 0.0163 -0.0058 1422 GLN 42 CD -0.0133 0.0154 -0.0063 1423 GLN 42 OE1 -0.0140 0.0159 -0.0069 1424 GLN 42 NE2 -0.0120 0.0139 -0.0060 1425 GLY 43 N -0.0130 0.0150 -0.0049 1426 GLY 43 CA -0.0127 0.0156 -0.0034 1427 GLY 43 C -0.0123 0.0150 -0.0036 1428 GLY 43 O -0.0122 0.0155 -0.0025 1429 SER 44 N -0.0121 0.0139 -0.0049 1430 SER 44 CA -0.0116 0.0131 -0.0051 1431 SER 44 C -0.0104 0.0125 -0.0036 1432 SER 44 O -0.0098 0.0121 -0.0028 1433 SER 44 CB -0.0114 0.0119 -0.0068 1434 SER 44 OG -0.0105 0.0107 -0.0067 1435 ASP 45 N -0.0101 0.0121 -0.0039 1436 ASP 45 CA -0.0092 0.0114 -0.0024 1437 ASP 45 C -0.0079 0.0097 -0.0027 1438 ASP 45 O -0.0077 0.0090 -0.0042 1439 ASP 45 CB -0.0092 0.0115 -0.0023 1440 ASP 45 CG -0.0103 0.0130 -0.0016 1441 ASP 45 OD1 -0.0110 0.0140 -0.0011 1442 ASP 45 OD2 -0.0104 0.0132 -0.0015 1443 ALA 46 N -0.0071 0.0092 -0.0011 1444 ALA 46 CA -0.0058 0.0076 -0.0011 1445 ALA 46 C -0.0050 0.0069 -0.0001 1446 ALA 46 O -0.0049 0.0072 0.0015 1447 ALA 46 CB -0.0055 0.0074 -0.0001 1448 ALA 47 N -0.0042 0.0049 -0.0016 1449 ALA 47 CA -0.0032 0.0040 -0.0009 1450 ALA 47 C -0.0022 0.0033 0.0002 1451 ALA 47 O -0.0015 0.0029 0.0013 1452 ALA 47 CB -0.0029 0.0030 -0.0023 1453 LEU 48 N -0.0021 0.0029 -0.0003 1454 LEU 48 CA -0.0011 0.0022 0.0006 1455 LEU 48 C -0.0015 0.0027 0.0006 1456 LEU 48 O -0.0021 0.0028 -0.0007 1457 LEU 48 CB -0.0001 0.0007 -0.0001 1458 LEU 48 CG 0.0009 -0.0002 0.0007 1459 LEU 48 CD1 0.0015 -0.0002 0.0024 1460 LEU 48 CD2 0.0017 -0.0016 -0.0004 1461 HIS 49 N -0.0014 0.0035 0.0022 1462 HIS 49 CA -0.0014 0.0036 0.0024 1463 HIS 49 C -0.0002 0.0025 0.0035 1464 HIS 49 O 0.0002 0.0025 0.0050 1465 HIS 49 CB -0.0024 0.0051 0.0035 1466 HIS 49 CG -0.0024 0.0053 0.0041 1467 HIS 49 ND1 -0.0028 0.0054 0.0029 1468 HIS 49 CD2 -0.0023 0.0057 0.0057 1469 HIS 49 CE1 -0.0028 0.0057 0.0039 1470 HIS 49 NE2 -0.0025 0.0060 0.0056 1471 PHE 50 N 0.0004 0.0014 0.0026 1472 PHE 50 CA 0.0016 0.0002 0.0034 1473 PHE 50 C 0.0016 0.0003 0.0037 1474 PHE 50 O 0.0013 0.0002 0.0024 1475 PHE 50 CB 0.0024 -0.0012 0.0021 1476 PHE 50 CG 0.0036 -0.0025 0.0025 1477 PHE 50 CD1 0.0045 -0.0032 0.0039 1478 PHE 50 CD2 0.0039 -0.0032 0.0015 1479 PHE 50 CE1 0.0057 -0.0045 0.0042 1480 PHE 50 CE2 0.0050 -0.0045 0.0019 1481 PHE 50 CZ 0.0059 -0.0052 0.0032 1482 ASN 51 N 0.0017 0.0007 0.0057 1483 ASN 51 CA 0.0014 0.0012 0.0062 1484 ASN 51 C 0.0024 0.0003 0.0076 1485 ASN 51 O 0.0025 0.0007 0.0093 1486 ASN 51 CB 0.0002 0.0028 0.0071 1487 ASN 51 CG -0.0003 0.0036 0.0075 1488 ASN 51 OD1 -0.0009 0.0047 0.0087 1489 ASN 51 ND2 -0.0002 0.0031 0.0063 1490 PRO 52 N 0.0033 -0.0010 0.0068 1491 PRO 52 CA 0.0043 -0.0019 0.0079 1492 PRO 52 C 0.0038 -0.0011 0.0088 1493 PRO 52 O 0.0030 -0.0004 0.0078 1494 PRO 52 CB 0.0051 -0.0032 0.0065 1495 PRO 52 CG 0.0048 -0.0033 0.0050 1496 PRO 52 CD 0.0035 -0.0017 0.0048 1497 ARG 53 N 0.0040 -0.0014 0.0112 1498 ARG 53 CA 0.0036 -0.0007 0.0122 1499 ARG 53 C 0.0048 -0.0020 0.0129 1500 ARG 53 O 0.0056 -0.0026 0.0143 1501 ARG 53 CB 0.0030 0.0003 0.0140 1502 ARG 53 CG 0.0020 0.0014 0.0135 1503 ARG 53 CD 0.0008 0.0027 0.0125 1504 ARG 53 NE -0.0003 0.0040 0.0124 1505 ARG 53 CZ -0.0010 0.0051 0.0138 1506 ARG 53 NH1 -0.0007 0.0051 0.0155 1507 ARG 53 NH2 -0.0020 0.0062 0.0135 1508 LEU 54 N 0.0048 -0.0022 0.0119 1509 LEU 54 CA 0.0059 -0.0034 0.0125 1510 LEU 54 C 0.0057 -0.0028 0.0143 1511 LEU 54 O 0.0066 -0.0037 0.0155 1512 LEU 54 CB 0.0060 -0.0038 0.0109 1513 LEU 54 CG 0.0065 -0.0048 0.0090 1514 LEU 54 CD1 0.0065 -0.0051 0.0077 1515 LEU 54 CD2 0.0078 -0.0063 0.0095 1516 ASP 55 N 0.0045 -0.0011 0.0150 1517 ASP 55 CA 0.0042 -0.0005 0.0167 1518 ASP 55 C 0.0045 -0.0005 0.0185 1519 ASP 55 O 0.0050 -0.0007 0.0201 1520 ASP 55 CB 0.0028 0.0010 0.0164 1521 ASP 55 CG 0.0017 0.0020 0.0159 1522 ASP 55 OD1 0.0020 0.0016 0.0157 1523 ASP 55 OD2 0.0005 0.0032 0.0157 1524 THR 56 N 0.0044 -0.0004 0.0184 1525 THR 56 CA 0.0047 -0.0004 0.0201 1526 THR 56 C 0.0059 -0.0017 0.0200 1527 THR 56 O 0.0062 -0.0018 0.0213 1528 THR 56 CB 0.0035 0.0010 0.0205 1529 THR 56 OG1 0.0030 0.0011 0.0189 1530 THR 56 CG2 0.0024 0.0022 0.0209 1531 SER 57 N 0.0063 -0.0026 0.0181 1532 SER 57 CA 0.0075 -0.0040 0.0178 1533 SER 57 C 0.0073 -0.0037 0.0179 1534 SER 57 O 0.0082 -0.0044 0.0188 1535 SER 57 CB 0.0088 -0.0050 0.0193 1536 SER 57 OG 0.0092 -0.0055 0.0188 1537 GLU 58 N 0.0063 -0.0029 0.0167 1538 GLU 58 CA 0.0059 -0.0026 0.0165 1539 GLU 58 C 0.0055 -0.0026 0.0143 1540 GLU 58 O 0.0052 -0.0026 0.0132 1541 GLU 58 CB 0.0048 -0.0011 0.0175 1542 GLU 58 CG 0.0050 -0.0008 0.0197 1543 GLU 58 CD 0.0038 0.0007 0.0205 1544 GLU 58 OE1 0.0028 0.0017 0.0200 1545 GLU 58 OE2 0.0038 0.0010 0.0217 1546 VAL 59 N 0.0054 -0.0025 0.0134 1547 VAL 59 CA 0.0047 -0.0021 0.0117 1548 VAL 59 C 0.0038 -0.0008 0.0122 1549 VAL 59 O 0.0041 -0.0010 0.0132 1550 VAL 59 CB 0.0054 -0.0033 0.0106 1551 VAL 59 CG1 0.0046 -0.0028 0.0088 1552 VAL 59 CG2 0.0063 -0.0047 0.0102 1553 VAL 60 N 0.0027 0.0004 0.0115 1554 VAL 60 CA 0.0018 0.0017 0.0118 1555 VAL 60 C 0.0014 0.0018 0.0102 1556 VAL 60 O 0.0013 0.0014 0.0086 1557 VAL 60 CB 0.0008 0.0032 0.0121 1558 VAL 60 CG1 -0.0003 0.0045 0.0121 1559 VAL 60 CG2 0.0011 0.0032 0.0138 1560 PHE 61 N 0.0016 0.0020 0.0103 1561 PHE 61 CA 0.0011 0.0021 0.0089 1562 PHE 61 C 0.0000 0.0036 0.0093 1563 PHE 61 O -0.0000 0.0042 0.0108 1564 PHE 61 CB 0.0020 0.0010 0.0090 1565 PHE 61 CG 0.0032 -0.0006 0.0084 1566 PHE 61 CD1 0.0041 -0.0014 0.0095 1567 PHE 61 CD2 0.0033 -0.0014 0.0067 1568 PHE 61 CE1 0.0052 -0.0029 0.0090 1569 PHE 61 CE2 0.0044 -0.0028 0.0062 1570 PHE 61 CZ 0.0053 -0.0036 0.0073 1571 ASN 62 N -0.0009 0.0042 0.0079 1572 ASN 62 CA -0.0020 0.0056 0.0081 1573 ASN 62 C -0.0026 0.0059 0.0064 1574 ASN 62 O -0.0023 0.0050 0.0050 1575 ASN 62 CB -0.0028 0.0069 0.0088 1576 ASN 62 CG -0.0034 0.0081 0.0101 1577 ASN 62 OD1 -0.0035 0.0083 0.0103 1578 ASN 62 ND2 -0.0040 0.0091 0.0111 1579 SER 63 N -0.0032 0.0072 0.0069 1580 SER 63 CA -0.0040 0.0076 0.0054 1581 SER 63 C -0.0052 0.0093 0.0055 1582 SER 63 O -0.0053 0.0101 0.0070 1583 SER 63 CB -0.0037 0.0072 0.0054 1584 SER 63 OG -0.0037 0.0079 0.0070 1585 LYS 64 N -0.0061 0.0098 0.0040 1586 LYS 64 CA -0.0073 0.0114 0.0040 1587 LYS 64 C -0.0080 0.0119 0.0031 1588 LYS 64 O -0.0080 0.0112 0.0016 1589 LYS 64 CB -0.0079 0.0117 0.0031 1590 LYS 64 CG -0.0091 0.0133 0.0029 1591 LYS 64 CD -0.0095 0.0135 0.0022 1592 LYS 64 CE -0.0108 0.0151 0.0020 1593 LYS 64 NZ -0.0115 0.0152 0.0001 1594 GLU 65 N -0.0085 0.0131 0.0043 1595 GLU 65 CA -0.0092 0.0137 0.0034 1596 GLU 65 C -0.0108 0.0152 0.0024 1597 GLU 65 O -0.0112 0.0151 0.0005 1598 GLU 65 CB -0.0090 0.0139 0.0049 1599 GLU 65 CG -0.0076 0.0124 0.0049 1600 GLU 65 CD -0.0074 0.0126 0.0064 1601 GLU 65 OE1 -0.0085 0.0139 0.0067 1602 GLU 65 OE2 -0.0062 0.0114 0.0072 1603 GLN 66 N -0.0116 0.0166 0.0036 1604 GLN 66 CA -0.0131 0.0181 0.0028 1605 GLN 66 C -0.0136 0.0188 0.0030 1606 GLN 66 O -0.0148 0.0203 0.0032 1607 GLN 66 CB -0.0139 0.0194 0.0038 1608 GLN 66 CG -0.0136 0.0189 0.0035 1609 GLN 66 CD -0.0145 0.0203 0.0045 1610 GLN 66 OE1 -0.0148 0.0212 0.0061 1611 GLN 66 NE2 -0.0148 0.0204 0.0036 1612 GLY 67 N -0.0127 0.0179 0.0028 1613 GLY 67 CA -0.0129 0.0184 0.0033 1614 GLY 67 C -0.0121 0.0182 0.0053 1615 GLY 67 O -0.0121 0.0185 0.0060 1616 SER 68 N -0.0115 0.0178 0.0062 1617 SER 68 CA -0.0107 0.0175 0.0082 1618 SER 68 C -0.0094 0.0158 0.0083 1619 SER 68 O -0.0089 0.0150 0.0078 1620 SER 68 CB -0.0110 0.0184 0.0094 1621 SER 68 OG -0.0122 0.0200 0.0095 1622 TRP 69 N -0.0090 0.0151 0.0089 1623 TRP 69 CA -0.0077 0.0136 0.0094 1624 TRP 69 C -0.0072 0.0135 0.0109 1625 TRP 69 O -0.0078 0.0145 0.0121 1626 TRP 69 CB -0.0071 0.0131 0.0099 1627 TRP 69 CG -0.0073 0.0128 0.0083 1628 TRP 69 CD1 -0.0081 0.0137 0.0078 1629 TRP 69 CD2 -0.0066 0.0115 0.0069 1630 TRP 69 NE1 -0.0080 0.0131 0.0062 1631 TRP 69 CE2 -0.0071 0.0117 0.0056 1632 TRP 69 CE3 -0.0056 0.0102 0.0065 1633 TRP 69 CZ2 -0.0066 0.0107 0.0040 1634 TRP 69 CZ3 -0.0052 0.0092 0.0049 1635 TRP 69 CH2 -0.0057 0.0094 0.0037 1636 GLY 70 N -0.0062 0.0122 0.0108 1637 GLY 70 CA -0.0056 0.0118 0.0122 1638 GLY 70 C -0.0048 0.0112 0.0138 1639 GLY 70 O -0.0048 0.0114 0.0140 1640 ARG 71 N -0.0043 0.0107 0.0146 1641 ARG 71 N -0.0043 0.0107 0.0146 1642 ARG 71 CA -0.0033 0.0101 0.0163 1643 ARG 71 CA -0.0033 0.0100 0.0163 1644 ARG 71 C -0.0022 0.0084 0.0156 1645 ARG 71 C -0.0022 0.0084 0.0155 1646 ARG 71 O -0.0015 0.0073 0.0147 1647 ARG 71 O -0.0015 0.0073 0.0145 1648 ARG 71 CB -0.0028 0.0101 0.0180 1649 ARG 71 CB -0.0027 0.0098 0.0178 1650 ARG 71 CG -0.0037 0.0117 0.0195 1651 ARG 71 CG -0.0022 0.0089 0.0168 1652 ARG 71 CD -0.0040 0.0124 0.0202 1653 ARG 71 CD -0.0008 0.0071 0.0166 1654 ARG 71 NE -0.0028 0.0115 0.0217 1655 ARG 71 NE 0.0001 0.0067 0.0185 1656 ARG 71 CZ -0.0029 0.0121 0.0231 1657 ARG 71 CZ 0.0014 0.0052 0.0187 1658 ARG 71 NH1 -0.0042 0.0137 0.0232 1659 ARG 71 NH1 0.0020 0.0039 0.0172 1660 ARG 71 NH2 -0.0018 0.0112 0.0243 1661 ARG 71 NH2 0.0022 0.0049 0.0204 1662 GLU 72 N -0.0019 0.0083 0.0161 1663 GLU 72 CA -0.0008 0.0068 0.0156 1664 GLU 72 C 0.0005 0.0054 0.0164 1665 GLU 72 O 0.0008 0.0057 0.0181 1666 GLU 72 CB -0.0008 0.0070 0.0164 1667 GLU 72 CG -0.0018 0.0079 0.0151 1668 GLU 72 CD -0.0019 0.0083 0.0161 1669 GLU 72 OE1 -0.0010 0.0078 0.0178 1670 GLU 72 OE2 -0.0028 0.0090 0.0153 1671 GLU 73 N 0.0007 0.0039 0.0149 1672 GLU 73 CA 0.0022 0.0026 0.0156 1673 GLU 73 C 0.0029 0.0019 0.0157 1674 GLU 73 O 0.0028 0.0016 0.0143 1675 GLU 73 CB 0.0027 0.0016 0.0143 1676 GLU 73 CG 0.0022 0.0022 0.0143 1677 GLU 73 CD 0.0025 0.0014 0.0128 1678 GLU 73 OE1 0.0036 0.0001 0.0124 1679 GLU 73 OE2 0.0017 0.0020 0.0122 1680 ARG 74 N 0.0033 0.0019 0.0173 1681 ARG 74 CA 0.0039 0.0014 0.0177 1682 ARG 74 C 0.0054 -0.0000 0.0180 1683 ARG 74 O 0.0061 -0.0003 0.0194 1684 ARG 74 CB 0.0035 0.0024 0.0193 1685 ARG 74 CG 0.0038 0.0021 0.0195 1686 ARG 74 CD 0.0030 0.0034 0.0207 1687 ARG 74 NE 0.0016 0.0046 0.0199 1688 ARG 74 CZ 0.0009 0.0051 0.0194 1689 ARG 74 NH1 0.0015 0.0045 0.0196 1690 ARG 74 NH2 -0.0004 0.0063 0.0188 1691 GLY 75 N 0.0047 -0.0009 0.0164 1692 GLY 75 CA 0.0060 -0.0026 0.0166 1693 GLY 75 C 0.0066 -0.0031 0.0175 1694 GLY 75 O 0.0063 -0.0029 0.0168 1695 PRO 76 N 0.0076 -0.0039 0.0191 1696 PRO 76 CA 0.0082 -0.0045 0.0199 1697 PRO 76 C 0.0091 -0.0060 0.0186 1698 PRO 76 O 0.0097 -0.0069 0.0177 1699 PRO 76 CB 0.0090 -0.0050 0.0218 1700 PRO 76 CG 0.0082 -0.0039 0.0223 1701 PRO 76 CD 0.0077 -0.0037 0.0204 1702 GLY 77 N 0.0093 -0.0065 0.0191 1703 GLY 77 CA 0.0101 -0.0076 0.0179 1704 GLY 77 C 0.0093 -0.0072 0.0160 1705 GLY 77 O 0.0084 -0.0064 0.0152 1706 VAL 78 N 0.0096 -0.0077 0.0152 1707 VAL 78 CA 0.0090 -0.0075 0.0132 1708 VAL 78 C 0.0102 -0.0089 0.0121 1709 VAL 78 O 0.0110 -0.0097 0.0126 1710 VAL 78 CB 0.0080 -0.0065 0.0131 1711 VAL 78 CG1 0.0087 -0.0071 0.0138 1712 VAL 78 CG2 0.0073 -0.0061 0.0111 1713 PRO 79 N 0.0091 -0.0100 0.0096 1714 PRO 79 CA 0.0105 -0.0112 0.0086 1715 PRO 79 C 0.0105 -0.0112 0.0073 1716 PRO 79 O 0.0111 -0.0117 0.0057 1717 PRO 79 CB 0.0105 -0.0112 0.0075 1718 PRO 79 CG 0.0089 -0.0099 0.0071 1719 PRO 79 CD 0.0081 -0.0092 0.0088 1720 PHE 80 N 0.0099 -0.0107 0.0079 1721 PHE 80 CA 0.0099 -0.0107 0.0068 1722 PHE 80 C 0.0103 -0.0110 0.0082 1723 PHE 80 O 0.0101 -0.0108 0.0099 1724 PHE 80 CB 0.0084 -0.0094 0.0061 1725 PHE 80 CG 0.0078 -0.0090 0.0047 1726 PHE 80 CD1 0.0082 -0.0093 0.0028 1727 PHE 80 CD2 0.0070 -0.0083 0.0053 1728 PHE 80 CE1 0.0077 -0.0089 0.0015 1729 PHE 80 CE2 0.0065 -0.0079 0.0041 1730 PHE 80 CZ 0.0069 -0.0082 0.0022 1731 GLN 81 N 0.0117 -0.0122 0.0073 1732 GLN 81 CA 0.0120 -0.0124 0.0083 1733 GLN 81 C 0.0112 -0.0116 0.0069 1734 GLN 81 O 0.0111 -0.0119 0.0050 1735 GLN 81 CB 0.0135 -0.0142 0.0085 1736 GLN 81 CG 0.0144 -0.0150 0.0099 1737 GLN 81 CD 0.0148 -0.0157 0.0088 1738 GLN 81 OE1 0.0153 -0.0167 0.0071 1739 GLN 81 NE2 0.0148 -0.0155 0.0097 1740 ARG 82 N 0.0106 -0.0107 0.0079 1741 ARG 82 CA 0.0100 -0.0103 0.0067 1742 ARG 82 C 0.0110 -0.0118 0.0054 1743 ARG 82 O 0.0122 -0.0131 0.0062 1744 ARG 82 CB 0.0096 -0.0094 0.0082 1745 ARG 82 CG 0.0084 -0.0077 0.0092 1746 ARG 82 CD 0.0080 -0.0069 0.0108 1747 ARG 82 NE 0.0069 -0.0054 0.0117 1748 ARG 82 CZ 0.0066 -0.0046 0.0135 1749 ARG 82 NH1 0.0072 -0.0052 0.0145 1750 ARG 82 NH2 0.0056 -0.0032 0.0142 1751 GLY 83 N 0.0103 -0.0118 0.0035 1752 GLY 83 CA 0.0111 -0.0131 0.0020 1753 GLY 83 C 0.0120 -0.0145 0.0011 1754 GLY 83 O 0.0128 -0.0157 -0.0000 1755 GLN 84 N 0.0119 -0.0143 0.0015 1756 GLN 84 CA 0.0128 -0.0156 0.0008 1757 GLN 84 C 0.0121 -0.0148 -0.0007 1758 GLN 84 O 0.0110 -0.0133 -0.0005 1759 GLN 84 CB 0.0136 -0.0164 0.0026 1760 GLN 84 CG 0.0145 -0.0173 0.0041 1761 GLN 84 CD 0.0157 -0.0190 0.0031 1762 GLN 84 OE1 0.0159 -0.0195 0.0013 1763 GLN 84 NE2 0.0163 -0.0197 0.0042 1764 PRO 85 N 0.0123 -0.0162 -0.0024 1765 PRO 85 CA 0.0119 -0.0154 -0.0036 1766 PRO 85 C 0.0116 -0.0151 -0.0027 1767 PRO 85 O 0.0120 -0.0159 -0.0013 1768 PRO 85 CB 0.0129 -0.0163 -0.0051 1769 PRO 85 CG 0.0139 -0.0178 -0.0043 1770 PRO 85 CD 0.0135 -0.0176 -0.0029 1771 PHE 86 N 0.0110 -0.0141 -0.0034 1772 PHE 86 CA 0.0106 -0.0139 -0.0027 1773 PHE 86 C 0.0105 -0.0134 -0.0042 1774 PHE 86 O 0.0104 -0.0129 -0.0057 1775 PHE 86 CB 0.0095 -0.0127 -0.0015 1776 PHE 86 CG 0.0086 -0.0113 -0.0024 1777 PHE 86 CD1 0.0080 -0.0103 -0.0033 1778 PHE 86 CD2 0.0083 -0.0109 -0.0022 1779 PHE 86 CE1 0.0071 -0.0090 -0.0041 1780 PHE 86 CE2 0.0074 -0.0096 -0.0030 1781 PHE 86 CZ 0.0068 -0.0086 -0.0039 1782 GLU 87 N 0.0084 -0.0123 -0.0047 1783 GLU 87 CA 0.0084 -0.0120 -0.0050 1784 GLU 87 C 0.0082 -0.0116 -0.0043 1785 GLU 87 O 0.0083 -0.0119 -0.0037 1786 GLU 87 CB 0.0086 -0.0127 -0.0053 1787 GLU 87 CG 0.0085 -0.0124 -0.0056 1788 GLU 87 CD 0.0088 -0.0131 -0.0060 1789 GLU 87 OE1 0.0089 -0.0134 -0.0066 1790 GLU 87 OE2 0.0088 -0.0133 -0.0057 1791 VAL 88 N 0.0079 -0.0109 -0.0045 1792 VAL 88 CA 0.0077 -0.0104 -0.0039 1793 VAL 88 C 0.0077 -0.0103 -0.0042 1794 VAL 88 O 0.0076 -0.0101 -0.0049 1795 VAL 88 CB 0.0074 -0.0096 -0.0038 1796 VAL 88 CG1 0.0072 -0.0090 -0.0033 1797 VAL 88 CG2 0.0075 -0.0097 -0.0034 1798 LEU 89 N 0.0073 -0.0101 -0.0040 1799 LEU 89 CA 0.0072 -0.0100 -0.0043 1800 LEU 89 C 0.0070 -0.0093 -0.0038 1801 LEU 89 O 0.0071 -0.0093 -0.0030 1802 LEU 89 CB 0.0076 -0.0106 -0.0042 1803 LEU 89 CG 0.0079 -0.0114 -0.0046 1804 LEU 89 CD1 0.0083 -0.0120 -0.0044 1805 LEU 89 CD2 0.0077 -0.0114 -0.0055 1806 ILE 90 N 0.0066 -0.0088 -0.0042 1807 ILE 90 CA 0.0064 -0.0083 -0.0038 1808 ILE 90 C 0.0064 -0.0084 -0.0041 1809 ILE 90 O 0.0063 -0.0084 -0.0048 1810 ILE 90 CB 0.0059 -0.0075 -0.0039 1811 ILE 90 CG1 0.0059 -0.0073 -0.0037 1812 ILE 90 CG2 0.0057 -0.0069 -0.0035 1813 ILE 90 CD1 0.0061 -0.0073 -0.0028 1814 ILE 91 N 0.0061 -0.0090 -0.0042 1815 ILE 91 CA 0.0062 -0.0093 -0.0045 1816 ILE 91 C 0.0060 -0.0088 -0.0043 1817 ILE 91 O 0.0061 -0.0087 -0.0036 1818 ILE 91 CB 0.0068 -0.0099 -0.0043 1819 ILE 91 CG1 0.0071 -0.0104 -0.0044 1820 ILE 91 CG2 0.0070 -0.0103 -0.0046 1821 ILE 91 CD1 0.0077 -0.0109 -0.0040 1822 ALA 92 N 0.0056 -0.0086 -0.0048 1823 ALA 92 CA 0.0054 -0.0082 -0.0046 1824 ALA 92 C 0.0057 -0.0086 -0.0045 1825 ALA 92 O 0.0060 -0.0091 -0.0049 1826 ALA 92 CB 0.0049 -0.0078 -0.0053 1827 SER 93 N 0.0052 -0.0084 -0.0041 1828 SER 93 CA 0.0060 -0.0090 -0.0043 1829 SER 93 C 0.0055 -0.0088 -0.0044 1830 SER 93 O 0.0045 -0.0081 -0.0043 1831 SER 93 CB 0.0073 -0.0090 -0.0034 1832 SER 93 OG 0.0072 -0.0082 -0.0025 1833 ASP 94 N 0.0061 -0.0093 -0.0046 1834 ASP 94 CA 0.0057 -0.0091 -0.0047 1835 ASP 94 C 0.0055 -0.0082 -0.0036 1836 ASP 94 O 0.0047 -0.0077 -0.0035 1837 ASP 94 CB 0.0065 -0.0098 -0.0050 1838 ASP 94 CG 0.0065 -0.0107 -0.0062 1839 ASP 94 OD1 0.0055 -0.0108 -0.0069 1840 ASP 94 OD2 0.0075 -0.0114 -0.0064 1841 ASP 95 N 0.0056 -0.0075 -0.0024 1842 ASP 95 N 0.0056 -0.0075 -0.0024 1843 ASP 95 CA 0.0055 -0.0068 -0.0010 1844 ASP 95 CA 0.0053 -0.0067 -0.0011 1845 ASP 95 C 0.0047 -0.0061 -0.0001 1846 ASP 95 C 0.0048 -0.0060 -0.0001 1847 ASP 95 O 0.0041 -0.0054 0.0008 1848 ASP 95 O 0.0043 -0.0054 0.0010 1849 ASP 95 CB 0.0070 -0.0071 -0.0002 1850 ASP 95 CB 0.0067 -0.0069 -0.0003 1851 ASP 95 CG 0.0077 -0.0077 -0.0009 1852 ASP 95 CG 0.0080 -0.0073 0.0000 1853 ASP 95 OD1 0.0069 -0.0077 -0.0017 1854 ASP 95 OD1 0.0080 -0.0077 -0.0007 1855 ASP 95 OD2 0.0090 -0.0081 -0.0006 1856 ASP 95 OD2 0.0090 -0.0073 0.0010 1857 GLY 96 N 0.0049 -0.0062 -0.0004 1858 GLY 96 CA 0.0043 -0.0056 0.0005 1859 GLY 96 C 0.0046 -0.0059 0.0001 1860 GLY 96 O 0.0049 -0.0066 -0.0011 1861 PHE 97 N 0.0038 -0.0052 -0.0005 1862 PHE 97 CA 0.0044 -0.0057 -0.0010 1863 PHE 97 C 0.0053 -0.0065 -0.0002 1864 PHE 97 O 0.0051 -0.0065 0.0010 1865 PHE 97 CB 0.0039 -0.0053 -0.0011 1866 PHE 97 CG 0.0031 -0.0045 -0.0019 1867 PHE 97 CD1 0.0032 -0.0045 -0.0032 1868 PHE 97 CD2 0.0022 -0.0037 -0.0014 1869 PHE 97 CE1 0.0024 -0.0038 -0.0040 1870 PHE 97 CE2 0.0014 -0.0030 -0.0021 1871 PHE 97 CZ 0.0015 -0.0030 -0.0034 1872 LYS 98 N 0.0061 -0.0072 -0.0008 1873 LYS 98 CA 0.0070 -0.0080 -0.0001 1874 LYS 98 C 0.0072 -0.0082 -0.0002 1875 LYS 98 O 0.0072 -0.0081 -0.0013 1876 LYS 98 CB 0.0079 -0.0087 -0.0007 1877 LYS 98 CG 0.0077 -0.0086 -0.0006 1878 LYS 98 CD 0.0085 -0.0092 -0.0014 1879 LYS 98 CE 0.0085 -0.0092 -0.0013 1880 LYS 98 NZ 0.0092 -0.0098 -0.0022 1881 ALA 99 N 0.0072 -0.0076 0.0002 1882 ALA 99 CA 0.0071 -0.0077 -0.0004 1883 ALA 99 C 0.0075 -0.0088 -0.0003 1884 ALA 99 O 0.0077 -0.0091 0.0007 1885 ALA 99 CB 0.0069 -0.0068 -0.0001 1886 VAL 100 N 0.0076 -0.0095 -0.0012 1887 VAL 100 CA 0.0079 -0.0106 -0.0011 1888 VAL 100 C 0.0078 -0.0107 -0.0018 1889 VAL 100 O 0.0075 -0.0103 -0.0027 1890 VAL 100 CB 0.0081 -0.0115 -0.0018 1891 VAL 100 CG1 0.0085 -0.0126 -0.0018 1892 VAL 100 CG2 0.0082 -0.0114 -0.0012 1893 VAL 101 N 0.0086 -0.0110 -0.0010 1894 VAL 101 CA 0.0088 -0.0113 -0.0016 1895 VAL 101 C 0.0087 -0.0121 -0.0015 1896 VAL 101 O 0.0086 -0.0124 -0.0009 1897 VAL 101 CB 0.0088 -0.0112 -0.0015 1898 VAL 101 CG1 0.0089 -0.0114 -0.0021 1899 VAL 101 CG2 0.0087 -0.0104 -0.0014 1900 GLY 102 N 0.0089 -0.0125 -0.0021 1901 GLY 102 CA 0.0089 -0.0133 -0.0021 1902 GLY 102 C 0.0088 -0.0135 -0.0017 1903 GLY 102 O 0.0088 -0.0132 -0.0019 1904 ASP 103 N 0.0054 -0.0122 -0.0032 1905 ASP 103 CA 0.0049 -0.0123 -0.0023 1906 ASP 103 C 0.0052 -0.0121 -0.0017 1907 ASP 103 O 0.0048 -0.0123 -0.0010 1908 ASP 103 CB 0.0040 -0.0128 -0.0025 1909 ASP 103 CG 0.0037 -0.0131 -0.0031 1910 ASP 103 OD1 0.0040 -0.0129 -0.0030 1911 ASP 103 OD2 0.0033 -0.0134 -0.0037 1912 ALA 104 N 0.0059 -0.0118 -0.0019 1913 ALA 104 CA 0.0062 -0.0116 -0.0014 1914 ALA 104 C 0.0071 -0.0111 -0.0013 1915 ALA 104 O 0.0076 -0.0109 -0.0019 1916 ALA 104 CB 0.0059 -0.0118 -0.0018 1917 GLN 105 N 0.0125 -0.0115 0.0020 1918 GLN 105 CA 0.0111 -0.0104 0.0022 1919 GLN 105 C 0.0106 -0.0099 0.0039 1920 GLN 105 O 0.0113 -0.0103 0.0052 1921 GLN 105 CB 0.0108 -0.0102 0.0018 1922 GLN 105 CG 0.0094 -0.0091 0.0019 1923 GLN 105 CD 0.0091 -0.0089 0.0012 1924 GLN 105 OE1 0.0094 -0.0093 -0.0002 1925 GLN 105 NE2 0.0087 -0.0085 0.0023 1926 TYR 106 N 0.0096 -0.0091 0.0040 1927 TYR 106 CA 0.0091 -0.0086 0.0056 1928 TYR 106 C 0.0081 -0.0077 0.0063 1929 TYR 106 O 0.0081 -0.0076 0.0078 1930 TYR 106 CB 0.0085 -0.0081 0.0054 1931 TYR 106 CG 0.0079 -0.0075 0.0069 1932 TYR 106 CD1 0.0086 -0.0080 0.0082 1933 TYR 106 CD2 0.0066 -0.0064 0.0072 1934 TYR 106 CE1 0.0081 -0.0074 0.0097 1935 TYR 106 CE2 0.0060 -0.0059 0.0086 1936 TYR 106 CZ 0.0067 -0.0063 0.0099 1937 TYR 106 OH 0.0061 -0.0058 0.0113 1938 HIS 107 N 0.0095 -0.0071 0.0065 1939 HIS 107 CA 0.0089 -0.0061 0.0072 1940 HIS 107 C 0.0084 -0.0063 0.0058 1941 HIS 107 O 0.0081 -0.0069 0.0042 1942 HIS 107 CB 0.0077 -0.0045 0.0078 1943 HIS 107 CG 0.0072 -0.0034 0.0087 1944 HIS 107 ND1 0.0080 -0.0034 0.0103 1945 HIS 107 CD2 0.0058 -0.0023 0.0083 1946 HIS 107 CE1 0.0072 -0.0023 0.0108 1947 HIS 107 NE2 0.0059 -0.0016 0.0096 1948 HIS 108 N 0.0084 -0.0060 0.0064 1949 HIS 108 CA 0.0077 -0.0058 0.0053 1950 HIS 108 C 0.0064 -0.0042 0.0058 1951 HIS 108 O 0.0066 -0.0036 0.0073 1952 HIS 108 CB 0.0087 -0.0068 0.0055 1953 HIS 108 CG 0.0080 -0.0066 0.0046 1954 HIS 108 ND1 0.0079 -0.0074 0.0029 1955 HIS 108 CD2 0.0073 -0.0056 0.0051 1956 HIS 108 CE1 0.0073 -0.0070 0.0025 1957 HIS 108 NE2 0.0069 -0.0059 0.0038 1958 PHE 109 N 0.0060 -0.0040 0.0056 1959 PHE 109 CA 0.0047 -0.0025 0.0059 1960 PHE 109 C 0.0041 -0.0023 0.0051 1961 PHE 109 O 0.0037 -0.0027 0.0035 1962 PHE 109 CB 0.0037 -0.0019 0.0052 1963 PHE 109 CG 0.0023 -0.0004 0.0056 1964 PHE 109 CD1 0.0022 0.0005 0.0072 1965 PHE 109 CD2 0.0011 0.0002 0.0043 1966 PHE 109 CE1 0.0009 0.0019 0.0076 1967 PHE 109 CE2 -0.0001 0.0016 0.0047 1968 PHE 109 CZ -0.0002 0.0024 0.0063 1969 ARG 110 N 0.0042 -0.0019 0.0061 1970 ARG 110 CA 0.0037 -0.0017 0.0055 1971 ARG 110 C 0.0022 -0.0007 0.0045 1972 ARG 110 O 0.0013 0.0003 0.0050 1973 ARG 110 CB 0.0039 -0.0012 0.0071 1974 ARG 110 CG 0.0033 -0.0008 0.0068 1975 ARG 110 CD 0.0037 -0.0004 0.0085 1976 ARG 110 NE 0.0033 -0.0001 0.0082 1977 ARG 110 CZ 0.0021 0.0011 0.0083 1978 ARG 110 NH1 0.0012 0.0022 0.0087 1979 ARG 110 NH2 0.0017 0.0013 0.0080 1980 HIS 111 N 0.0024 -0.0015 0.0037 1981 HIS 111 CA 0.0008 -0.0005 0.0026 1982 HIS 111 C -0.0000 0.0011 0.0037 1983 HIS 111 O 0.0004 0.0012 0.0047 1984 HIS 111 CB 0.0005 -0.0012 0.0009 1985 HIS 111 CG 0.0011 -0.0026 -0.0004 1986 HIS 111 ND1 0.0008 -0.0028 -0.0013 1987 HIS 111 CD2 0.0020 -0.0041 -0.0012 1988 HIS 111 CE1 0.0014 -0.0042 -0.0025 1989 HIS 111 NE2 0.0022 -0.0050 -0.0024 1990 ARG 112 N -0.0013 0.0023 0.0035 1991 ARG 112 CA -0.0023 0.0039 0.0043 1992 ARG 112 C -0.0037 0.0045 0.0028 1993 ARG 112 O -0.0043 0.0054 0.0031 1994 ARG 112 CB -0.0027 0.0050 0.0054 1995 ARG 112 CG -0.0013 0.0045 0.0070 1996 ARG 112 CD -0.0018 0.0056 0.0080 1997 ARG 112 NE -0.0005 0.0051 0.0095 1998 ARG 112 CZ -0.0007 0.0059 0.0105 1999 ARG 112 NH1 -0.0020 0.0072 0.0102 2000 ARG 112 NH2 0.0005 0.0054 0.0118 2001 LEU 113 N -0.0022 0.0047 0.0023 2002 LEU 113 CA -0.0032 0.0050 0.0009 2003 LEU 113 C -0.0026 0.0036 -0.0001 2004 LEU 113 O -0.0017 0.0024 -0.0002 2005 LEU 113 CB -0.0041 0.0055 -0.0002 2006 LEU 113 CG -0.0048 0.0070 0.0006 2007 LEU 113 CD1 -0.0057 0.0074 -0.0006 2008 LEU 113 CD2 -0.0054 0.0082 0.0012 2009 PRO 114 N -0.0033 0.0038 -0.0012 2010 PRO 114 CA -0.0029 0.0025 -0.0023 2011 PRO 114 C -0.0028 0.0015 -0.0035 2012 PRO 114 O -0.0036 0.0022 -0.0043 2013 PRO 114 CB -0.0038 0.0031 -0.0033 2014 PRO 114 CG -0.0044 0.0046 -0.0022 2015 PRO 114 CD -0.0044 0.0052 -0.0013 2016 LEU 115 N -0.0002 -0.0001 -0.0026 2017 LEU 115 CA 0.0002 -0.0012 -0.0038 2018 LEU 115 C -0.0006 -0.0010 -0.0057 2019 LEU 115 O -0.0008 -0.0011 -0.0066 2020 LEU 115 CB 0.0012 -0.0029 -0.0036 2021 LEU 115 CG 0.0017 -0.0042 -0.0048 2022 LEU 115 CD1 0.0019 -0.0042 -0.0045 2023 LEU 115 CD2 0.0028 -0.0057 -0.0046 2024 ALA 116 N -0.0011 -0.0005 -0.0063 2025 ALA 116 CA -0.0018 -0.0003 -0.0081 2026 ALA 116 C -0.0028 0.0010 -0.0086 2027 ALA 116 O -0.0034 0.0012 -0.0101 2028 ALA 116 CB -0.0020 -0.0001 -0.0084 2029 ARG 117 N -0.0041 0.0027 -0.0076 2030 ARG 117 CA -0.0052 0.0038 -0.0077 2031 ARG 117 C -0.0048 0.0033 -0.0080 2032 ARG 117 O -0.0056 0.0041 -0.0085 2033 ARG 117 CB -0.0058 0.0050 -0.0062 2034 ARG 117 CG -0.0068 0.0059 -0.0063 2035 ARG 117 CD -0.0081 0.0073 -0.0063 2036 ARG 117 NE -0.0081 0.0079 -0.0044 2037 ARG 117 CZ -0.0087 0.0088 -0.0037 2038 ARG 117 NH1 -0.0095 0.0093 -0.0047 2039 ARG 117 NH2 -0.0084 0.0091 -0.0020 2040 VAL 118 N -0.0036 0.0021 -0.0078 2041 VAL 118 CA -0.0032 0.0017 -0.0079 2042 VAL 118 C -0.0035 0.0014 -0.0098 2043 VAL 118 O -0.0031 0.0006 -0.0110 2044 VAL 118 CB -0.0018 0.0005 -0.0071 2045 VAL 118 CG1 -0.0014 -0.0001 -0.0075 2046 VAL 118 CG2 -0.0015 0.0008 -0.0051 2047 ARG 119 N -0.0036 0.0023 -0.0097 2048 ARG 119 CA -0.0043 0.0021 -0.0116 2049 ARG 119 C -0.0042 0.0016 -0.0120 2050 ARG 119 O -0.0045 0.0011 -0.0136 2051 ARG 119 CB -0.0057 0.0035 -0.0123 2052 ARG 119 CG -0.0058 0.0040 -0.0118 2053 ARG 119 CD -0.0066 0.0040 -0.0134 2054 ARG 119 NE -0.0069 0.0047 -0.0130 2055 ARG 119 CZ -0.0063 0.0039 -0.0128 2056 ARG 119 NH1 -0.0052 0.0024 -0.0130 2057 ARG 119 NH2 -0.0067 0.0047 -0.0125 2058 LEU 120 N -0.0039 0.0020 -0.0107 2059 LEU 120 CA -0.0040 0.0019 -0.0111 2060 LEU 120 C -0.0029 0.0014 -0.0096 2061 LEU 120 O -0.0025 0.0019 -0.0080 2062 LEU 120 CB -0.0052 0.0036 -0.0112 2063 LEU 120 CG -0.0057 0.0039 -0.0116 2064 LEU 120 CD1 -0.0071 0.0051 -0.0127 2065 LEU 120 CD2 -0.0054 0.0045 -0.0100 2066 VAL 121 N -0.0018 0.0008 -0.0091 2067 VAL 121 CA -0.0012 0.0004 -0.0080 2068 VAL 121 C -0.0018 0.0012 -0.0084 2069 VAL 121 O -0.0024 0.0012 -0.0100 2070 VAL 121 CB -0.0002 -0.0016 -0.0080 2071 VAL 121 CG1 -0.0005 -0.0025 -0.0099 2072 VAL 121 CG2 0.0005 -0.0019 -0.0068 2073 GLU 122 N -0.0016 0.0021 -0.0071 2074 GLU 122 CA -0.0021 0.0029 -0.0073 2075 GLU 122 C -0.0013 0.0021 -0.0062 2076 GLU 122 O -0.0005 0.0018 -0.0047 2077 GLU 122 CB -0.0028 0.0048 -0.0066 2078 GLU 122 CG -0.0034 0.0059 -0.0066 2079 GLU 122 CD -0.0040 0.0078 -0.0057 2080 GLU 122 OE1 -0.0035 0.0080 -0.0041 2081 GLU 122 OE2 -0.0050 0.0089 -0.0067 2082 VAL 123 N -0.0009 0.0017 -0.0069 2083 VAL 123 CA -0.0001 0.0010 -0.0058 2084 VAL 123 C -0.0008 0.0022 -0.0058 2085 VAL 123 O -0.0015 0.0024 -0.0073 2086 VAL 123 CB 0.0008 -0.0009 -0.0067 2087 VAL 123 CG1 0.0018 -0.0016 -0.0054 2088 VAL 123 CG2 0.0014 -0.0021 -0.0070 2089 GLY 124 N -0.0006 0.0030 -0.0040 2090 GLY 124 CA -0.0013 0.0042 -0.0038 2091 GLY 124 C -0.0005 0.0042 -0.0020 2092 GLY 124 O 0.0006 0.0031 -0.0010 2093 GLY 125 N -0.0006 0.0094 -0.0009 2094 GLY 125 CA -0.0003 0.0082 0.0010 2095 GLY 125 C 0.0007 0.0059 -0.0001 2096 GLY 125 O 0.0010 0.0056 -0.0024 2097 ASP 126 N 0.0011 0.0044 0.0017 2098 ASP 126 CA 0.0019 0.0022 0.0011 2099 ASP 126 C 0.0028 0.0001 0.0005 2100 ASP 126 O 0.0032 -0.0014 0.0022 2101 ASP 126 CB 0.0020 0.0015 0.0033 2102 ASP 126 CG 0.0012 0.0034 0.0040 2103 ASP 126 OD1 0.0008 0.0049 0.0022 2104 ASP 126 OD2 0.0008 0.0036 0.0063 2105 VAL 127 N 0.0030 -0.0019 -0.0029 2106 VAL 127 CA 0.0039 -0.0037 -0.0038 2107 VAL 127 C 0.0037 -0.0039 -0.0062 2108 VAL 127 O 0.0027 -0.0025 -0.0074 2109 VAL 127 CB 0.0040 -0.0036 -0.0034 2110 VAL 127 CG1 0.0028 -0.0020 -0.0044 2111 VAL 127 CG2 0.0050 -0.0055 -0.0041 2112 GLN 128 N 0.0047 -0.0057 -0.0071 2113 GLN 128 CA 0.0047 -0.0063 -0.0094 2114 GLN 128 C 0.0051 -0.0071 -0.0101 2115 GLN 128 O 0.0061 -0.0086 -0.0093 2116 GLN 128 CB 0.0054 -0.0077 -0.0099 2117 GLN 128 CG 0.0058 -0.0088 -0.0121 2118 GLN 128 CD 0.0069 -0.0107 -0.0121 2119 GLN 128 OE1 0.0078 -0.0122 -0.0127 2120 GLN 128 NE2 0.0069 -0.0104 -0.0115 2121 LEU 129 N 0.0047 -0.0071 -0.0101 2122 LEU 129 CA 0.0048 -0.0073 -0.0105 2123 LEU 129 C 0.0055 -0.0083 -0.0120 2124 LEU 129 O 0.0053 -0.0081 -0.0132 2125 LEU 129 CB 0.0040 -0.0059 -0.0110 2126 LEU 129 CG 0.0040 -0.0059 -0.0116 2127 LEU 129 CD1 0.0043 -0.0065 -0.0103 2128 LEU 129 CD2 0.0031 -0.0045 -0.0122 2129 ASP 130 N 0.0061 -0.0094 -0.0118 2130 ASP 130 CA 0.0068 -0.0105 -0.0131 2131 ASP 130 C 0.0065 -0.0101 -0.0142 2132 ASP 130 O 0.0066 -0.0101 -0.0156 2133 ASP 130 CB 0.0077 -0.0120 -0.0124 2134 ASP 130 CG 0.0079 -0.0124 -0.0115 2135 ASP 130 OD1 0.0076 -0.0118 -0.0118 2136 ASP 130 OD2 0.0085 -0.0134 -0.0105 2137 SER 131 N 0.0073 -0.0104 -0.0108 2138 SER 131 CA 0.0072 -0.0101 -0.0112 2139 SER 131 C 0.0069 -0.0097 -0.0107 2140 SER 131 O 0.0070 -0.0099 -0.0099 2141 SER 131 CB 0.0076 -0.0106 -0.0117 2142 SER 131 OG 0.0078 -0.0112 -0.0111 2143 VAL 132 N 0.0067 -0.0092 -0.0110 2144 VAL 132 CA 0.0065 -0.0088 -0.0106 2145 VAL 132 C 0.0065 -0.0089 -0.0111 2146 VAL 132 O 0.0065 -0.0087 -0.0119 2147 VAL 132 CB 0.0060 -0.0080 -0.0105 2148 VAL 132 CG1 0.0058 -0.0077 -0.0102 2149 VAL 132 CG2 0.0059 -0.0079 -0.0099 2150 ARG 133 N 0.0071 -0.0096 -0.0078 2151 ARG 133 N 0.0072 -0.0096 -0.0078 2152 ARG 133 CA 0.0072 -0.0093 -0.0082 2153 ARG 133 CA 0.0072 -0.0093 -0.0082 2154 ARG 133 C 0.0068 -0.0091 -0.0082 2155 ARG 133 C 0.0068 -0.0091 -0.0083 2156 ARG 133 O 0.0066 -0.0092 -0.0079 2157 ARG 133 O 0.0067 -0.0093 -0.0079 2158 ARG 133 CB 0.0076 -0.0095 -0.0083 2159 ARG 133 CB 0.0077 -0.0095 -0.0084 2160 ARG 133 CG 0.0081 -0.0096 -0.0084 2161 ARG 133 CG 0.0081 -0.0097 -0.0083 2162 ARG 133 CD 0.0081 -0.0095 -0.0086 2163 ARG 133 CD 0.0084 -0.0095 -0.0088 2164 ARG 133 NE 0.0085 -0.0096 -0.0087 2165 ARG 133 NE 0.0088 -0.0097 -0.0088 2166 ARG 133 CZ 0.0088 -0.0096 -0.0091 2167 ARG 133 CZ 0.0088 -0.0097 -0.0087 2168 ARG 133 NH1 0.0087 -0.0094 -0.0093 2169 ARG 133 NH1 0.0084 -0.0096 -0.0087 2170 ARG 133 NH2 0.0093 -0.0097 -0.0092 2171 ARG 133 NH2 0.0091 -0.0099 -0.0086 2172 ILE 134 N 0.0067 -0.0088 -0.0086 2173 ILE 134 CA 0.0063 -0.0086 -0.0087 2174 ILE 134 C 0.0065 -0.0085 -0.0091 2175 ILE 134 O 0.0067 -0.0084 -0.0095 2176 ILE 134 CB 0.0058 -0.0084 -0.0088 2177 ILE 134 CG1 0.0057 -0.0086 -0.0084 2178 ILE 134 CG2 0.0055 -0.0082 -0.0089 2179 ILE 134 CD1 0.0053 -0.0084 -0.0085 2180 PHE 135 N 0.0087 -0.0104 -0.0053 2181 PHE 135 CA 0.0085 -0.0103 -0.0051 2182 PHE 135 C 0.0084 -0.0101 -0.0050 2183 PHE 135 O 0.0084 -0.0102 -0.0051 2184 PHE 135 CB 0.0083 -0.0103 -0.0052 2185 PHE 135 CG 0.0083 -0.0104 -0.0053 2186 PHE 135 CD1 0.0085 -0.0103 -0.0052 2187 PHE 135 CD2 0.0083 -0.0106 -0.0055 2188 PHE 135 CE1 0.0086 -0.0104 -0.0052 2189 PHE 135 CE2 0.0083 -0.0107 -0.0055 2190 PHE 135 CZ 0.0085 -0.0106 -0.0054 2191 PHE 135 OXT 0.0084 -0.0100 -0.0049