1 ASN 3 N -0.0006 0.0002 -0.0037 2 ASN 3 HN -0.0011 0.0003 -0.0030 3 ASN 3 CA 0.0001 -0.0012 -0.0038 4 ASN 3 HA 0.0003 -0.0012 -0.0041 5 ASN 3 CB -0.0001 -0.0021 -0.0024 6 ASN 3 HB1 0.0005 -0.0032 -0.0024 7 ASN 3 HB2 -0.0003 -0.0021 -0.0019 8 ASN 3 CG -0.0008 -0.0017 -0.0014 9 ASN 3 OD1 -0.0007 -0.0021 -0.0013 10 ASN 3 ND2 -0.0017 -0.0010 -0.0006 11 ASN 3 HD21 -0.0022 -0.0006 0.0000 12 ASN 3 HD22 -0.0018 -0.0005 -0.0008 13 ASN 3 C 0.0010 -0.0018 -0.0048 14 ASN 3 O 0.0010 -0.0012 -0.0054 15 ARG 4 N 0.0058 -0.0005 -0.0041 16 ARG 4 HN 0.0061 -0.0040 -0.0121 17 ARG 4 CA 0.0002 -0.0014 -0.0012 18 ARG 4 HA 0.0019 0.0030 0.0071 19 ARG 4 CB 0.0049 -0.0037 -0.0104 20 ARG 4 HB1 0.0015 -0.0037 -0.0073 21 ARG 4 HB2 0.0014 -0.0089 -0.0187 22 ARG 4 CG 0.0183 0.0003 -0.0135 23 ARG 4 HG1 0.0203 -0.0018 -0.0200 24 ARG 4 HG2 0.0217 -0.0002 -0.0179 25 ARG 4 CD 0.0247 0.0076 -0.0033 26 ARG 4 HD1 0.0232 0.0099 0.0031 27 ARG 4 HD2 0.0217 0.0084 0.0011 28 ARG 4 NE 0.0375 0.0106 -0.0082 29 ARG 4 HE 0.0395 0.0076 -0.0166 30 ARG 4 CZ 0.0463 0.0167 -0.0026 31 ARG 4 NH1 0.0448 0.0211 0.0083 32 ARG 4 HH11 0.0368 0.0194 0.0119 33 ARG 4 HH12 0.0515 0.0254 0.0118 34 ARG 4 NH2 0.0571 0.0186 -0.0081 35 ARG 4 HH21 0.0638 0.0233 -0.0040 36 ARG 4 HH22 0.0585 0.0154 -0.0164 37 ARG 4 C -0.0132 -0.0066 -0.0006 38 ARG 4 O -0.0194 -0.0069 0.0043 39 ALA 5 N 0.0006 -0.0019 -0.0008 40 ALA 5 HN 0.0009 -0.0014 -0.0009 41 ALA 5 CA 0.0018 -0.0009 -0.0011 42 ALA 5 HA 0.0012 -0.0012 -0.0009 43 ALA 5 CB 0.0019 0.0015 -0.0007 44 ALA 5 HB1 0.0030 0.0023 -0.0009 45 ALA 5 HB2 0.0004 0.0021 -0.0001 46 ALA 5 HB3 0.0025 0.0020 -0.0008 47 ALA 5 C 0.0039 -0.0017 -0.0019 48 ALA 5 O 0.0046 -0.0023 -0.0022 49 PHE 6 N 0.0051 -0.0019 0.0030 50 PHE 6 HN 0.0048 -0.0015 0.0032 51 PHE 6 CA 0.0071 -0.0031 0.0022 52 PHE 6 HA 0.0075 -0.0032 0.0020 53 PHE 6 CB 0.0067 -0.0054 0.0015 54 PHE 6 HB1 0.0083 -0.0062 0.0010 55 PHE 6 HB2 0.0058 -0.0054 0.0017 56 PHE 6 CG 0.0053 -0.0068 0.0014 57 PHE 6 CD1 0.0031 -0.0067 0.0019 58 PHE 6 HD1 0.0022 -0.0057 0.0024 59 PHE 6 CE1 0.0018 -0.0078 0.0018 60 PHE 6 HE1 0.0001 -0.0077 0.0023 61 PHE 6 CZ 0.0029 -0.0090 0.0012 62 PHE 6 HZ 0.0020 -0.0098 0.0012 63 PHE 6 CD2 0.0064 -0.0081 0.0008 64 PHE 6 HD2 0.0082 -0.0082 0.0004 65 PHE 6 CE2 0.0052 -0.0092 0.0007 66 PHE 6 HE2 0.0060 -0.0101 0.0002 67 PHE 6 C 0.0092 -0.0020 0.0021 68 PHE 6 O 0.0091 -0.0008 0.0024 69 LYS 7 N 0.0105 -0.0066 0.0048 70 LYS 7 HN 0.0106 -0.0087 0.0042 71 LYS 7 CA 0.0117 -0.0046 0.0027 72 LYS 7 HA 0.0115 -0.0025 0.0035 73 LYS 7 CB 0.0123 -0.0049 0.0012 74 LYS 7 HB1 0.0117 -0.0042 0.0026 75 LYS 7 HB2 0.0131 -0.0033 -0.0004 76 LYS 7 CG 0.0125 -0.0079 0.0001 77 LYS 7 HG1 0.0129 -0.0088 -0.0009 78 LYS 7 HG2 0.0117 -0.0093 0.0017 79 LYS 7 CD 0.0134 -0.0078 -0.0020 80 LYS 7 HD1 0.0131 -0.0073 -0.0011 81 LYS 7 HD2 0.0142 -0.0060 -0.0034 82 LYS 7 CE 0.0140 -0.0105 -0.0038 83 LYS 7 HE1 0.0147 -0.0101 -0.0055 84 LYS 7 HE2 0.0142 -0.0112 -0.0046 85 LYS 7 NZ 0.0131 -0.0130 -0.0025 86 LYS 7 HZ1 0.0131 -0.0128 -0.0023 87 LYS 7 HZ2 0.0123 -0.0131 -0.0006 88 LYS 7 HZ3 0.0134 -0.0149 -0.0035 89 LYS 7 C 0.0125 -0.0049 0.0007 90 LYS 7 O 0.0124 -0.0071 0.0004 91 SER 8 N 0.0133 -0.0011 0.0051 92 SER 8 HN 0.0124 -0.0008 0.0038 93 SER 8 CA 0.0118 0.0004 0.0056 94 SER 8 HA 0.0129 -0.0003 0.0064 95 SER 8 CB 0.0102 0.0027 0.0079 96 SER 8 HB1 0.0114 0.0024 0.0102 97 SER 8 HB2 0.0092 0.0038 0.0084 98 SER 8 OG 0.0086 0.0038 0.0069 99 SER 8 HG1 0.0096 0.0029 0.0068 100 SER 8 C 0.0102 0.0008 0.0026 101 SER 8 O 0.0098 0.0003 0.0003 102 HIS 9 N 0.0131 -0.0005 0.0117 103 HIS 9 HN 0.0137 0.0008 0.0156 104 HIS 9 CA 0.0093 -0.0002 0.0077 105 HIS 9 HA 0.0087 0.0009 0.0096 106 HIS 9 CB 0.0038 0.0021 0.0067 107 HIS 9 HB1 0.0008 0.0024 0.0036 108 HIS 9 HB2 0.0041 0.0013 0.0052 109 HIS 9 CD2 0.0008 0.0072 0.0154 110 HIS 9 HD2 0.0016 0.0067 0.0150 111 HIS 9 CG 0.0015 0.0054 0.0120 112 HIS 9 NE2 -0.0010 0.0100 0.0199 113 HIS 9 HE2 -0.0017 0.0118 0.0234 114 HIS 9 ND1 0.0001 0.0070 0.0141 115 HIS 9 HD1 0.0002 0.0063 0.0124 116 HIS 9 CE1 -0.0014 0.0098 0.0189 117 HIS 9 HE1 -0.0026 0.0116 0.0219 118 HIS 9 C 0.0113 -0.0034 0.0023 119 HIS 9 O 0.0149 -0.0053 0.0023 120 HIS 10 N 0.0164 -0.0082 -0.0094 121 HIS 10 HN -0.0001 -0.0075 -0.0111 122 HIS 10 CA 0.0262 -0.0102 -0.0314 123 HIS 10 HA 0.0409 -0.0106 -0.0265 124 HIS 10 CB 0.0053 -0.0100 -0.0460 125 HIS 10 HB1 0.0134 -0.0115 -0.0622 126 HIS 10 HB2 -0.0086 -0.0098 -0.0532 127 HIS 10 CD2 -0.0333 -0.0067 -0.0250 128 HIS 10 HD2 -0.0480 -0.0061 -0.0281 129 HIS 10 CG -0.0088 -0.0083 -0.0310 130 HIS 10 NE2 -0.0372 -0.0058 -0.0146 131 HIS 10 HE2 -0.0534 -0.0046 -0.0089 132 HIS 10 ND1 0.0027 -0.0085 -0.0248 133 HIS 10 HD1 0.0207 -0.0096 -0.0274 134 HIS 10 CE1 -0.0148 -0.0070 -0.0150 135 HIS 10 HE1 -0.0121 -0.0067 -0.0083 136 HIS 10 C 0.0368 -0.0119 -0.0496 137 HIS 10 O 0.0426 -0.0136 -0.0709 138 GLY 11 N 0.0166 -0.0060 -0.0097 139 GLY 11 HN 0.0153 -0.0075 -0.0065 140 GLY 11 CA 0.0154 -0.0057 -0.0082 141 GLY 11 HA1 0.0171 -0.0041 -0.0119 142 GLY 11 HA2 0.0165 -0.0102 -0.0058 143 GLY 11 C 0.0105 -0.0019 -0.0045 144 GLY 11 O 0.0092 -0.0018 -0.0028 145 HIS 12 N 0.0066 -0.0021 -0.0027 146 HIS 12 HN 0.0044 -0.0013 -0.0016 147 HIS 12 CA 0.0052 -0.0017 -0.0023 148 HIS 12 HA 0.0053 -0.0030 -0.0055 149 HIS 12 CB 0.0002 -0.0003 -0.0006 150 HIS 12 HB1 -0.0005 0.0001 0.0003 151 HIS 12 HB2 -0.0001 0.0009 0.0025 152 HIS 12 CD2 -0.0080 -0.0008 -0.0046 153 HIS 12 HD2 -0.0094 0.0000 -0.0031 154 HIS 12 CG -0.0038 -0.0010 -0.0038 155 HIS 12 NE2 -0.0103 -0.0017 -0.0079 156 HIS 12 HE2 -0.0135 -0.0018 -0.0093 157 HIS 12 ND1 -0.0035 -0.0021 -0.0065 158 HIS 12 HD1 -0.0008 -0.0025 -0.0065 159 HIS 12 CE1 -0.0075 -0.0025 -0.0089 160 HIS 12 HE1 -0.0083 -0.0034 -0.0116 161 HIS 12 C 0.0086 -0.0010 0.0008 162 HIS 12 O 0.0107 -0.0000 0.0041 163 PHE 13 N 0.0047 0.0057 0.0022 164 PHE 13 HN 0.0046 0.0058 0.0020 165 PHE 13 CA 0.0047 0.0056 0.0022 166 PHE 13 HA 0.0049 0.0056 0.0023 167 PHE 13 CB 0.0046 0.0058 0.0020 168 PHE 13 HB1 0.0046 0.0057 0.0021 169 PHE 13 HB2 0.0044 0.0058 0.0020 170 PHE 13 CG 0.0048 0.0059 0.0019 171 PHE 13 CD1 0.0050 0.0059 0.0019 172 PHE 13 HD1 0.0051 0.0058 0.0020 173 PHE 13 CE1 0.0052 0.0061 0.0017 174 PHE 13 HE1 0.0054 0.0061 0.0018 175 PHE 13 CZ 0.0051 0.0062 0.0015 176 PHE 13 HZ 0.0053 0.0063 0.0014 177 PHE 13 CD2 0.0047 0.0061 0.0017 178 PHE 13 HD2 0.0045 0.0061 0.0017 179 PHE 13 CE2 0.0049 0.0062 0.0015 180 PHE 13 HE2 0.0048 0.0064 0.0014 181 PHE 13 C 0.0045 0.0055 0.0024 182 PHE 13 O 0.0043 0.0055 0.0024 183 LEU 14 N 0.0087 0.0078 0.0026 184 LEU 14 HN 0.0097 0.0082 0.0026 185 LEU 14 CA 0.0081 0.0076 0.0032 186 LEU 14 HA 0.0071 0.0072 0.0035 187 LEU 14 CB 0.0088 0.0078 0.0045 188 LEU 14 HB1 0.0083 0.0076 0.0050 189 LEU 14 HB2 0.0098 0.0082 0.0042 190 LEU 14 CG 0.0090 0.0078 0.0056 191 LEU 14 HG 0.0096 0.0081 0.0052 192 LEU 14 CD1 0.0097 0.0080 0.0069 193 LEU 14 HD11 0.0091 0.0078 0.0074 194 LEU 14 HD12 0.0098 0.0081 0.0077 195 LEU 14 HD13 0.0106 0.0084 0.0066 196 LEU 14 CD2 0.0077 0.0073 0.0061 197 LEU 14 HD21 0.0072 0.0072 0.0052 198 LEU 14 HD22 0.0079 0.0073 0.0069 199 LEU 14 HD23 0.0070 0.0070 0.0064 200 LEU 14 C 0.0079 0.0075 0.0021 201 LEU 14 O 0.0088 0.0079 0.0014 202 SER 15 N 0.0095 0.0114 -0.0026 203 SER 15 HN 0.0094 0.0104 -0.0021 204 SER 15 CA 0.0099 0.0109 -0.0042 205 SER 15 HA 0.0100 0.0121 -0.0050 206 SER 15 CB 0.0098 0.0098 -0.0038 207 SER 15 HB1 0.0101 0.0092 -0.0050 208 SER 15 HB2 0.0097 0.0086 -0.0028 209 SER 15 OG 0.0096 0.0110 -0.0030 210 SER 15 HG1 0.0094 0.0119 -0.0023 211 SER 15 C 0.0102 0.0097 -0.0055 212 SER 15 O 0.0101 0.0087 -0.0049 213 ALA 16 N 0.0117 0.0133 -0.0072 214 ALA 16 HN 0.0113 0.0141 -0.0073 215 ALA 16 CA 0.0115 0.0124 -0.0081 216 ALA 16 HA 0.0119 0.0116 -0.0080 217 ALA 16 CB 0.0108 0.0127 -0.0090 218 ALA 16 HB1 0.0109 0.0129 -0.0088 219 ALA 16 HB2 0.0103 0.0135 -0.0092 220 ALA 16 HB3 0.0106 0.0120 -0.0098 221 ALA 16 C 0.0114 0.0122 -0.0084 222 ALA 16 O 0.0110 0.0130 -0.0085 223 GLU 17 N 0.0134 0.0016 -0.0146 224 GLU 17 HN 0.0114 0.0034 -0.0109 225 GLU 17 CA 0.0120 -0.0025 -0.0187 226 GLU 17 HA 0.0155 -0.0034 -0.0224 227 GLU 17 CB 0.0061 -0.0065 -0.0195 228 GLU 17 HB1 0.0045 -0.0091 -0.0214 229 GLU 17 HB2 0.0029 -0.0053 -0.0155 230 GLU 17 CG 0.0063 -0.0092 -0.0230 231 GLU 17 HG1 0.0077 -0.0069 -0.0212 232 GLU 17 HG2 0.0094 -0.0106 -0.0270 233 GLU 17 CD 0.0003 -0.0131 -0.0234 234 GLU 17 OE1 -0.0016 -0.0141 -0.0232 235 GLU 17 OE2 -0.0031 -0.0149 -0.0231 236 GLU 17 C 0.0112 -0.0018 -0.0172 237 GLU 17 O 0.0078 -0.0003 -0.0130 238 GLY 18 N 0.0098 0.0032 -0.0093 239 GLY 18 HN 0.0096 0.0026 -0.0087 240 GLY 18 CA 0.0112 0.0036 -0.0101 241 GLY 18 HA1 0.0119 0.0034 -0.0099 242 GLY 18 HA2 0.0118 0.0034 -0.0099 243 GLY 18 C 0.0110 0.0048 -0.0114 244 GLY 18 O 0.0106 0.0052 -0.0119 245 GLU 19 N 0.0088 0.0041 -0.0115 246 GLU 19 HN 0.0097 0.0016 -0.0095 247 GLU 19 CA 0.0087 0.0048 -0.0133 248 GLU 19 HA 0.0080 0.0070 -0.0160 249 GLU 19 CB 0.0108 0.0008 -0.0151 250 GLU 19 HB1 0.0107 0.0014 -0.0164 251 GLU 19 HB2 0.0115 -0.0015 -0.0124 252 GLU 19 CG 0.0120 -0.0008 -0.0189 253 GLU 19 HG1 0.0122 -0.0016 -0.0178 254 GLU 19 HG2 0.0113 0.0014 -0.0217 255 GLU 19 CD 0.0140 -0.0047 -0.0205 256 GLU 19 OE1 0.0141 -0.0048 -0.0208 257 GLU 19 OE2 0.0154 -0.0074 -0.0215 258 GLU 19 C 0.0076 0.0062 -0.0100 259 GLU 19 O 0.0076 0.0064 -0.0109 260 ALA 20 N 0.0086 0.0030 -0.0137 261 ALA 20 HN 0.0088 0.0026 -0.0146 262 ALA 20 CA 0.0078 0.0038 -0.0106 263 ALA 20 HA 0.0080 0.0051 -0.0100 264 ALA 20 CB 0.0065 0.0009 -0.0088 265 ALA 20 HB1 0.0059 0.0015 -0.0065 266 ALA 20 HB2 0.0064 -0.0004 -0.0096 267 ALA 20 HB3 0.0063 -0.0004 -0.0093 268 ALA 20 C 0.0080 0.0057 -0.0096 269 ALA 20 O 0.0086 0.0061 -0.0111 270 VAL 21 N 0.0087 0.0071 -0.0069 271 VAL 21 HN 0.0086 0.0064 -0.0062 272 VAL 21 CA 0.0088 0.0088 -0.0056 273 VAL 21 HA 0.0089 0.0094 -0.0065 274 VAL 21 CB 0.0090 0.0110 -0.0050 275 VAL 21 HB 0.0088 0.0105 -0.0038 276 VAL 21 CG1 0.0091 0.0129 -0.0038 277 VAL 21 HG11 0.0089 0.0123 -0.0020 278 VAL 21 HG12 0.0092 0.0135 -0.0049 279 VAL 21 HG13 0.0092 0.0145 -0.0034 280 VAL 21 CG2 0.0092 0.0120 -0.0073 281 VAL 21 HG21 0.0093 0.0136 -0.0070 282 VAL 21 HG22 0.0093 0.0124 -0.0086 283 VAL 21 HG23 0.0091 0.0107 -0.0082 284 VAL 21 C 0.0085 0.0076 -0.0033 285 VAL 21 O 0.0083 0.0064 -0.0022 286 LYS 22 N 0.0082 0.0041 -0.0023 287 LYS 22 HN 0.0105 0.0056 -0.0052 288 LYS 22 CA 0.0044 0.0007 0.0019 289 LYS 22 HA 0.0024 0.0007 0.0057 290 LYS 22 CB 0.0028 -0.0060 -0.0016 291 LYS 22 HB1 0.0029 -0.0079 -0.0035 292 LYS 22 HB2 -0.0003 -0.0088 0.0018 293 LYS 22 CG 0.0053 -0.0064 -0.0067 294 LYS 22 HG1 0.0041 -0.0069 -0.0049 295 LYS 22 HG2 0.0083 -0.0021 -0.0085 296 LYS 22 CD 0.0055 -0.0117 -0.0123 297 LYS 22 HD1 0.0077 -0.0108 -0.0158 298 LYS 22 HD2 0.0067 -0.0111 -0.0141 299 LYS 22 CE 0.0017 -0.0182 -0.0111 300 LYS 22 HE1 -0.0004 -0.0194 -0.0083 301 LYS 22 HE2 0.0004 -0.0185 -0.0089 302 LYS 22 NZ 0.0025 -0.0227 -0.0170 303 LYS 22 HZ1 0.0002 -0.0271 -0.0168 304 LYS 22 HZ2 0.0037 -0.0227 -0.0195 305 LYS 22 HZ3 0.0048 -0.0210 -0.0200 306 LYS 22 C 0.0047 0.0039 0.0044 307 LYS 22 O 0.0078 0.0074 0.0018 308 THR 23 N 0.0031 0.0008 0.0043 309 THR 23 HN 0.0005 0.0002 0.0059 310 THR 23 CA 0.0026 0.0006 0.0046 311 THR 23 HA 0.0054 0.0026 0.0041 312 THR 23 CB -0.0009 0.0017 0.0084 313 THR 23 HB -0.0039 -0.0004 0.0090 314 THR 23 OG1 -0.0001 0.0055 0.0113 315 THR 23 HG1 -0.0025 0.0058 0.0136 316 THR 23 CG2 -0.0013 0.0016 0.0086 317 THR 23 HG21 -0.0035 0.0026 0.0115 318 THR 23 HG22 -0.0024 -0.0015 0.0067 319 THR 23 HG23 0.0017 0.0034 0.0079 320 THR 23 C 0.0016 -0.0035 0.0016 321 THR 23 O -0.0007 -0.0063 0.0008 322 HIS 24 N -0.0004 -0.0013 0.0005 323 HIS 24 HN -0.0002 -0.0001 0.0006 324 HIS 24 CA -0.0004 -0.0020 0.0002 325 HIS 24 HA -0.0006 -0.0032 0.0005 326 HIS 24 CB -0.0001 -0.0018 -0.0016 327 HIS 24 HB1 0.0001 -0.0005 -0.0020 328 HIS 24 HB2 -0.0000 -0.0025 -0.0023 329 HIS 24 CD2 0.0002 -0.0019 -0.0034 330 HIS 24 HD2 0.0004 -0.0009 -0.0042 331 HIS 24 CG -0.0001 -0.0025 -0.0022 332 HIS 24 NE2 0.0001 -0.0031 -0.0035 333 HIS 24 HE2 0.0002 -0.0031 -0.0044 334 HIS 24 ND1 -0.0003 -0.0039 -0.0016 335 HIS 24 HD1 -0.0006 -0.0045 -0.0007 336 HIS 24 CE1 -0.0003 -0.0042 -0.0024 337 HIS 24 HE1 -0.0004 -0.0052 -0.0022 338 HIS 24 C -0.0004 -0.0011 0.0012 339 HIS 24 O -0.0003 0.0003 0.0015 340 HIS 25 N -0.0057 -0.0046 -0.0005 341 HIS 25 HN -0.0064 -0.0066 -0.0011 342 HIS 25 CA -0.0045 -0.0024 0.0011 343 HIS 25 HA -0.0035 -0.0015 0.0028 344 HIS 25 CB -0.0042 -0.0040 0.0025 345 HIS 25 HB1 -0.0038 -0.0059 0.0043 346 HIS 25 HB2 -0.0033 -0.0022 0.0036 347 HIS 25 CD2 -0.0060 -0.0048 -0.0011 348 HIS 25 HD2 -0.0055 -0.0025 -0.0011 349 HIS 25 CG -0.0055 -0.0057 0.0004 350 HIS 25 NE2 -0.0072 -0.0073 -0.0026 351 HIS 25 HE2 -0.0079 -0.0074 -0.0040 352 HIS 25 ND1 -0.0065 -0.0088 -0.0002 353 HIS 25 HD1 -0.0064 -0.0101 0.0006 354 HIS 25 CE1 -0.0075 -0.0097 -0.0020 355 HIS 25 HE1 -0.0084 -0.0120 -0.0029 356 HIS 25 C -0.0048 0.0006 -0.0009 357 HIS 25 O -0.0037 0.0031 0.0002 358 GLY 26 N -0.0040 0.0034 -0.0002 359 GLY 26 HN -0.0031 0.0029 -0.0010 360 GLY 26 CA -0.0040 0.0036 -0.0004 361 GLY 26 HA1 -0.0048 0.0048 -0.0005 362 GLY 26 HA2 -0.0031 0.0032 -0.0014 363 GLY 26 C -0.0042 0.0026 0.0011 364 GLY 26 O -0.0039 0.0013 0.0020 365 HIS 27 N -0.0071 0.0006 0.0047 366 HIS 27 HN -0.0067 0.0018 0.0042 367 HIS 27 CA -0.0072 -0.0005 0.0050 368 HIS 27 HA -0.0074 0.0006 0.0052 369 HIS 27 CB -0.0081 -0.0019 0.0064 370 HIS 27 HB1 -0.0081 -0.0025 0.0066 371 HIS 27 HB2 -0.0079 -0.0030 0.0064 372 HIS 27 CD2 -0.0101 -0.0011 0.0088 373 HIS 27 HD2 -0.0100 -0.0020 0.0088 374 HIS 27 CG -0.0093 -0.0009 0.0078 375 HIS 27 NE2 -0.0110 0.0003 0.0098 376 HIS 27 HE2 -0.0117 0.0006 0.0106 377 HIS 27 ND1 -0.0098 0.0005 0.0082 378 HIS 27 HD1 -0.0094 0.0010 0.0076 379 HIS 27 CE1 -0.0108 0.0012 0.0094 380 HIS 27 HE1 -0.0114 0.0023 0.0099 381 HIS 27 C -0.0059 -0.0014 0.0037 382 HIS 27 O -0.0054 -0.0022 0.0030 383 HIS 28 N -0.0059 -0.0065 0.0036 384 HIS 28 HN -0.0050 -0.0110 0.0009 385 HIS 28 CA -0.0007 -0.0080 0.0073 386 HIS 28 HA 0.0031 -0.0140 0.0061 387 HIS 28 CB -0.0038 -0.0079 0.0045 388 HIS 28 HB1 -0.0056 -0.0125 -0.0009 389 HIS 28 HB2 0.0006 -0.0093 0.0075 390 HIS 28 CD2 -0.0167 0.0004 -0.0011 391 HIS 28 HD2 -0.0190 -0.0039 -0.0066 392 HIS 28 CG -0.0100 -0.0006 0.0044 393 HIS 28 NE2 -0.0208 0.0078 0.0010 394 HIS 28 HE2 -0.0258 0.0100 -0.0021 395 HIS 28 ND1 -0.0100 0.0066 0.0102 396 HIS 28 HD1 -0.0059 0.0079 0.0151 397 HIS 28 CE1 -0.0165 0.0113 0.0078 398 HIS 28 HE1 -0.0180 0.0174 0.0112 399 HIS 28 C 0.0042 -0.0038 0.0153 400 HIS 28 O 0.0102 -0.0070 0.0185 401 ASP 29 N -0.0002 0.0028 0.0091 402 ASP 29 HN -0.0027 0.0030 0.0100 403 ASP 29 CA 0.0017 0.0047 0.0104 404 ASP 29 HA 0.0026 0.0036 0.0090 405 ASP 29 CB -0.0008 0.0064 0.0126 406 ASP 29 HB1 0.0005 0.0079 0.0136 407 ASP 29 HB2 -0.0021 0.0075 0.0139 408 ASP 29 CG -0.0038 0.0046 0.0117 409 ASP 29 OD1 -0.0065 0.0056 0.0134 410 ASP 29 OD2 -0.0034 0.0023 0.0095 411 ASP 29 C 0.0049 0.0065 0.0111 412 ASP 29 O 0.0049 0.0074 0.0120 413 HIS 30 N 0.0099 0.0123 0.0132 414 HIS 30 HN 0.0077 0.0099 0.0105 415 HIS 30 CA 0.0187 0.0168 0.0154 416 HIS 30 HA 0.0216 0.0180 0.0155 417 HIS 30 CB 0.0250 0.0159 0.0092 418 HIS 30 HB1 0.0318 0.0194 0.0109 419 HIS 30 HB2 0.0224 0.0150 0.0094 420 HIS 30 CD2 0.0235 0.0067 -0.0064 421 HIS 30 HD2 0.0203 0.0052 -0.0071 422 HIS 30 CG 0.0260 0.0114 0.0004 423 HIS 30 NE2 0.0260 0.0041 -0.0130 424 HIS 30 HE2 0.0250 0.0005 -0.0188 425 HIS 30 ND1 0.0301 0.0118 -0.0018 426 HIS 30 HD1 0.0326 0.0149 0.0020 427 HIS 30 CE1 0.0300 0.0074 -0.0098 428 HIS 30 HE1 0.0325 0.0063 -0.0135 429 HIS 30 C 0.0180 0.0213 0.0241 430 HIS 30 O 0.0128 0.0207 0.0266 431 HIS 31 N 0.0050 0.0149 0.0057 432 HIS 31 HN 0.0041 0.0142 0.0061 433 HIS 31 CA 0.0050 0.0154 0.0040 434 HIS 31 HA 0.0058 0.0160 0.0036 435 HIS 31 CB 0.0035 0.0148 0.0031 436 HIS 31 HB1 0.0033 0.0151 0.0018 437 HIS 31 HB2 0.0026 0.0141 0.0037 438 HIS 31 CD2 0.0027 0.0140 0.0042 439 HIS 31 HD2 0.0024 0.0134 0.0053 440 HIS 31 CG 0.0033 0.0146 0.0031 441 HIS 31 NE2 0.0027 0.0141 0.0035 442 HIS 31 HE2 0.0024 0.0138 0.0040 443 HIS 31 ND1 0.0035 0.0152 0.0018 444 HIS 31 HD1 0.0039 0.0157 0.0008 445 HIS 31 CE1 0.0031 0.0149 0.0021 446 HIS 31 HE1 0.0032 0.0152 0.0013 447 HIS 31 C 0.0052 0.0157 0.0036 448 HIS 31 O 0.0049 0.0153 0.0044 449 THR 32 N 0.0039 0.0166 0.0003 450 THR 32 HN 0.0061 0.0174 -0.0015 451 THR 32 CA 0.0023 0.0141 -0.0005 452 THR 32 HA 0.0009 0.0146 0.0019 453 THR 32 CB 0.0046 0.0143 -0.0032 454 THR 32 HB 0.0061 0.0139 -0.0057 455 THR 32 OG1 0.0065 0.0176 -0.0018 456 THR 32 HG1 0.0067 0.0190 -0.0003 457 THR 32 CG2 0.0029 0.0119 -0.0038 458 THR 32 HG21 0.0047 0.0123 -0.0057 459 THR 32 HG22 0.0015 0.0093 -0.0050 460 THR 32 HG23 0.0014 0.0124 -0.0013 461 THR 32 C 0.0003 0.0107 -0.0020 462 THR 32 O 0.0013 0.0096 -0.0045 463 HIS 33 N -0.0039 0.0058 -0.0021 464 HIS 33 HN -0.0056 0.0065 -0.0011 465 HIS 33 CA -0.0040 0.0034 -0.0023 466 HIS 33 HA -0.0021 0.0031 -0.0034 467 HIS 33 CB -0.0057 0.0036 -0.0013 468 HIS 33 HB1 -0.0058 0.0016 -0.0015 469 HIS 33 HB2 -0.0076 0.0039 -0.0002 470 HIS 33 CD2 -0.0031 0.0079 -0.0024 471 HIS 33 HD2 -0.0015 0.0081 -0.0033 472 HIS 33 CG -0.0051 0.0060 -0.0015 473 HIS 33 NE2 -0.0035 0.0097 -0.0020 474 HIS 33 HE2 -0.0025 0.0114 -0.0024 475 HIS 33 ND1 -0.0066 0.0065 -0.0005 476 HIS 33 HD1 -0.0082 0.0055 0.0003 477 HIS 33 CE1 -0.0057 0.0088 -0.0009 478 HIS 33 HE1 -0.0065 0.0099 -0.0003 479 HIS 33 C -0.0046 0.0009 -0.0022 480 HIS 33 O -0.0065 0.0008 -0.0011 481 PHE 34 N -0.0047 0.0003 -0.0005 482 PHE 34 HN -0.0038 0.0000 -0.0017 483 PHE 34 CA -0.0049 -0.0018 -0.0021 484 PHE 34 HA -0.0050 -0.0007 -0.0011 485 PHE 34 CB -0.0023 -0.0025 -0.0057 486 PHE 34 HB1 -0.0026 -0.0044 -0.0070 487 PHE 34 HB2 -0.0020 -0.0034 -0.0068 488 PHE 34 CG 0.0005 0.0006 -0.0060 489 PHE 34 CD1 0.0010 0.0019 -0.0054 490 PHE 34 HD1 -0.0007 0.0006 -0.0046 491 PHE 34 CE1 0.0036 0.0047 -0.0059 492 PHE 34 HE1 0.0040 0.0056 -0.0054 493 PHE 34 CZ 0.0059 0.0063 -0.0069 494 PHE 34 HZ 0.0080 0.0084 -0.0073 495 PHE 34 CD2 0.0028 0.0023 -0.0071 496 PHE 34 HD2 0.0025 0.0014 -0.0075 497 PHE 34 CE2 0.0055 0.0051 -0.0075 498 PHE 34 HE2 0.0072 0.0064 -0.0083 499 PHE 34 C -0.0078 -0.0051 -0.0019 500 PHE 34 O -0.0085 -0.0068 -0.0026 501 HIS 35 N -0.0094 -0.0096 -0.0026 502 HIS 35 HN -0.0098 -0.0088 -0.0022 503 HIS 35 CA -0.0123 -0.0125 -0.0021 504 HIS 35 HA -0.0117 -0.0129 -0.0025 505 HIS 35 CB -0.0164 -0.0110 0.0002 506 HIS 35 HB1 -0.0187 -0.0135 0.0006 507 HIS 35 HB2 -0.0168 -0.0102 0.0006 508 HIS 35 CD2 -0.0157 -0.0032 0.0020 509 HIS 35 HD2 -0.0145 -0.0018 0.0018 510 HIS 35 CG -0.0167 -0.0073 0.0013 511 HIS 35 NE2 -0.0166 -0.0008 0.0030 512 HIS 35 HE2 -0.0162 0.0023 0.0037 513 HIS 35 ND1 -0.0183 -0.0074 0.0020 514 HIS 35 HD1 -0.0194 -0.0099 0.0018 515 HIS 35 CE1 -0.0182 -0.0034 0.0030 516 HIS 35 HE1 -0.0193 -0.0025 0.0038 517 HIS 35 C -0.0122 -0.0167 -0.0032 518 HIS 35 O -0.0126 -0.0171 -0.0032 519 VAL 36 N -0.0060 -0.0137 -0.0031 520 VAL 36 HN -0.0065 -0.0145 -0.0031 521 VAL 36 CA -0.0061 -0.0141 -0.0042 522 VAL 36 HA -0.0054 -0.0132 -0.0046 523 VAL 36 CB -0.0065 -0.0152 -0.0057 524 VAL 36 HB -0.0072 -0.0162 -0.0052 525 VAL 36 CG1 -0.0066 -0.0157 -0.0068 526 VAL 36 HG11 -0.0071 -0.0163 -0.0061 527 VAL 36 HG12 -0.0059 -0.0147 -0.0072 528 VAL 36 HG13 -0.0068 -0.0163 -0.0079 529 VAL 36 CG2 -0.0058 -0.0145 -0.0067 530 VAL 36 HG21 -0.0051 -0.0135 -0.0072 531 VAL 36 HG22 -0.0057 -0.0141 -0.0060 532 VAL 36 HG23 -0.0061 -0.0152 -0.0078 533 VAL 36 C -0.0067 -0.0148 -0.0031 534 VAL 36 O -0.0075 -0.0158 -0.0023 535 GLU 37 N -0.0094 -0.0118 -0.0058 536 GLU 37 HN -0.0099 -0.0106 -0.0061 537 GLU 37 CA -0.0083 -0.0118 -0.0043 538 GLU 37 HA -0.0078 -0.0132 -0.0041 539 GLU 37 CB -0.0078 -0.0109 -0.0033 540 GLU 37 HB1 -0.0082 -0.0095 -0.0034 541 GLU 37 HB2 -0.0079 -0.0115 -0.0036 542 GLU 37 CG -0.0065 -0.0111 -0.0016 543 GLU 37 HG1 -0.0061 -0.0125 -0.0015 544 GLU 37 HG2 -0.0064 -0.0104 -0.0012 545 GLU 37 CD -0.0060 -0.0104 -0.0007 546 GLU 37 OE1 -0.0062 -0.0087 -0.0004 547 GLU 37 OE2 -0.0055 -0.0115 -0.0004 548 GLU 37 C -0.0084 -0.0110 -0.0041 549 GLU 37 O -0.0090 -0.0096 -0.0046 550 ASN 38 N -0.0012 -0.0147 0.0000 551 ASN 38 HN 0.0020 -0.0224 0.0041 552 ASN 38 CA -0.0020 -0.0050 -0.0031 553 ASN 38 HA -0.0089 -0.0002 -0.0089 554 ASN 38 CB -0.0053 -0.0107 -0.0037 555 ASN 38 HB1 -0.0142 -0.0149 -0.0084 556 ASN 38 HB2 -0.0045 -0.0033 -0.0052 557 ASN 38 CG 0.0017 -0.0210 0.0036 558 ASN 38 OD1 0.0116 -0.0185 0.0093 559 ASN 38 ND2 -0.0037 -0.0330 0.0033 560 ASN 38 HD21 0.0010 -0.0396 0.0080 561 ASN 38 HD22 -0.0118 -0.0349 -0.0015 562 ASN 38 C 0.0079 0.0056 0.0005 563 ASN 38 O 0.0173 0.0036 0.0072 564 HIS 39 N 0.0018 0.0112 -0.0047 565 HIS 39 HN 0.0001 0.0123 -0.0030 566 HIS 39 CA 0.0028 0.0115 -0.0054 567 HIS 39 HA 0.0051 0.0119 -0.0073 568 HIS 39 CB 0.0018 0.0081 -0.0052 569 HIS 39 HB1 0.0021 0.0087 -0.0054 570 HIS 39 HB2 -0.0005 0.0074 -0.0035 571 HIS 39 CD2 0.0026 0.0021 -0.0071 572 HIS 39 HD2 0.0008 0.0016 -0.0057 573 HIS 39 CG 0.0033 0.0050 -0.0071 574 HIS 39 NE2 0.0046 -0.0000 -0.0093 575 HIS 39 HE2 0.0049 -0.0022 -0.0099 576 HIS 39 ND1 0.0057 0.0046 -0.0092 577 HIS 39 HD1 0.0067 0.0063 -0.0097 578 HIS 39 CE1 0.0064 0.0016 -0.0105 579 HIS 39 HE1 0.0083 0.0005 -0.0123 580 HIS 39 C 0.0019 0.0148 -0.0040 581 HIS 39 O 0.0011 0.0149 -0.0033 582 GLY 40 N -0.0045 0.0657 -0.0418 583 GLY 40 HN -0.0110 0.0729 -0.0375 584 GLY 40 CA -0.0112 0.0787 -0.0471 585 GLY 40 HA1 -0.0021 0.0718 -0.0586 586 GLY 40 HA2 -0.0187 0.0946 -0.0553 587 GLY 40 C -0.0212 0.0804 -0.0246 588 GLY 40 O -0.0298 0.0827 -0.0066 589 GLY 41 N 0.0342 0.0094 0.0408 590 GLY 41 HN 0.0231 0.0037 0.0544 591 GLY 41 CA 0.0405 0.0095 0.0557 592 GLY 41 HA1 0.0339 0.0036 0.0809 593 GLY 41 HA2 0.0653 0.0181 0.0539 594 GLY 41 C 0.0235 0.0058 0.0405 595 GLY 41 O 0.0337 0.0086 0.0453 596 LYS 42 N 0.0059 -0.0005 0.0262 597 LYS 42 HN 0.0041 -0.0006 0.0269 598 LYS 42 CA 0.0027 0.0006 0.0218 599 LYS 42 HA 0.0057 0.0009 0.0204 600 LYS 42 CB -0.0034 0.0002 0.0242 601 LYS 42 HB1 -0.0063 0.0012 0.0204 602 LYS 42 HB2 -0.0060 -0.0003 0.0268 603 LYS 42 CG -0.0023 -0.0007 0.0282 604 LYS 42 HG1 0.0007 -0.0018 0.0321 605 LYS 42 HG2 0.0006 -0.0002 0.0254 606 LYS 42 CD -0.0082 -0.0010 0.0301 607 LYS 42 HD1 -0.0069 -0.0015 0.0320 608 LYS 42 HD2 -0.0109 0.0001 0.0260 609 LYS 42 CE -0.0124 -0.0020 0.0347 610 LYS 42 HE1 -0.0166 -0.0020 0.0356 611 LYS 42 HE2 -0.0138 -0.0015 0.0330 612 LYS 42 NZ -0.0091 -0.0034 0.0405 613 LYS 42 HZ1 -0.0122 -0.0041 0.0437 614 LYS 42 HZ2 -0.0075 -0.0038 0.0420 615 LYS 42 HZ3 -0.0054 -0.0034 0.0398 616 LYS 42 C 0.0019 0.0020 0.0161 617 LYS 42 O 0.0006 0.0019 0.0164 618 VAL 43 N -0.0063 -0.0013 0.0034 619 VAL 43 HN -0.0080 -0.0013 0.0031 620 VAL 43 CA -0.0052 -0.0034 0.0017 621 VAL 43 HA -0.0029 -0.0034 0.0022 622 VAL 43 CB -0.0054 -0.0054 -0.0001 623 VAL 43 HB -0.0042 -0.0069 -0.0012 624 VAL 43 CG1 -0.0038 -0.0051 0.0005 625 VAL 43 HG11 -0.0037 -0.0066 -0.0008 626 VAL 43 HG12 -0.0015 -0.0047 0.0013 627 VAL 43 HG13 -0.0049 -0.0037 0.0015 628 VAL 43 CG2 -0.0085 -0.0058 -0.0011 629 VAL 43 HG21 -0.0086 -0.0071 -0.0023 630 VAL 43 HG22 -0.0098 -0.0043 0.0000 631 VAL 43 HG23 -0.0096 -0.0062 -0.0016 632 VAL 43 C -0.0067 -0.0037 0.0012 633 VAL 43 O -0.0090 -0.0026 0.0017 634 ALA 44 N -0.0075 -0.0026 -0.0040 635 ALA 44 HN -0.0063 -0.0031 -0.0043 636 ALA 44 CA -0.0083 -0.0029 -0.0045 637 ALA 44 HA -0.0095 -0.0023 -0.0042 638 ALA 44 CB -0.0071 -0.0027 -0.0041 639 ALA 44 HB1 -0.0068 -0.0017 -0.0031 640 ALA 44 HB2 -0.0059 -0.0034 -0.0044 641 ALA 44 HB3 -0.0078 -0.0029 -0.0044 642 ALA 44 C -0.0086 -0.0044 -0.0058 643 ALA 44 O -0.0075 -0.0052 -0.0063 644 LEU 45 N -0.0079 -0.0029 -0.0067 645 LEU 45 HN -0.0079 -0.0027 -0.0067 646 LEU 45 CA -0.0078 -0.0027 -0.0070 647 LEU 45 HA -0.0077 -0.0030 -0.0070 648 LEU 45 CB -0.0075 -0.0025 -0.0075 649 LEU 45 HB1 -0.0074 -0.0023 -0.0077 650 LEU 45 HB2 -0.0076 -0.0022 -0.0074 651 LEU 45 CG -0.0073 -0.0029 -0.0078 652 LEU 45 HG -0.0073 -0.0031 -0.0076 653 LEU 45 CD1 -0.0071 -0.0027 -0.0082 654 LEU 45 HD11 -0.0069 -0.0030 -0.0084 655 LEU 45 HD12 -0.0072 -0.0024 -0.0081 656 LEU 45 HD13 -0.0070 -0.0024 -0.0084 657 LEU 45 CD2 -0.0071 -0.0033 -0.0079 658 LEU 45 HD21 -0.0072 -0.0031 -0.0079 659 LEU 45 HD22 -0.0072 -0.0036 -0.0076 660 LEU 45 HD23 -0.0069 -0.0035 -0.0082 661 LEU 45 C -0.0080 -0.0022 -0.0067 662 LEU 45 O -0.0081 -0.0019 -0.0066 663 LYS 46 N -0.0116 -0.0054 -0.0093 664 LYS 46 HN -0.0129 -0.0069 -0.0093 665 LYS 46 CA -0.0112 -0.0033 -0.0065 666 LYS 46 HA -0.0095 -0.0017 -0.0069 667 LYS 46 CB -0.0131 -0.0041 -0.0041 668 LYS 46 HB1 -0.0132 -0.0049 -0.0054 669 LYS 46 HB2 -0.0124 -0.0023 -0.0023 670 LYS 46 CG -0.0156 -0.0060 -0.0026 671 LYS 46 HG1 -0.0155 -0.0052 -0.0011 672 LYS 46 HG2 -0.0162 -0.0078 -0.0044 673 LYS 46 CD -0.0172 -0.0068 -0.0007 674 LYS 46 HD1 -0.0174 -0.0079 -0.0023 675 LYS 46 HD2 -0.0164 -0.0050 0.0008 676 LYS 46 CE -0.0197 -0.0084 0.0013 677 LYS 46 HE1 -0.0196 -0.0073 0.0031 678 LYS 46 HE2 -0.0205 -0.0102 -0.0001 679 LYS 46 NZ -0.0211 -0.0092 0.0029 680 LYS 46 HZ1 -0.0217 -0.0108 0.0013 681 LYS 46 HZ2 -0.0226 -0.0097 0.0048 682 LYS 46 HZ3 -0.0201 -0.0077 0.0035 683 LYS 46 C -0.0111 -0.0024 -0.0051 684 LYS 46 O -0.0121 -0.0038 -0.0056 685 THR 47 N -0.0106 -0.0007 -0.0047 686 THR 47 HN -0.0093 0.0006 -0.0045 687 THR 47 CA -0.0102 0.0022 -0.0013 688 THR 47 HA -0.0094 0.0014 -0.0033 689 THR 47 CB -0.0063 0.0069 0.0004 690 THR 47 HB -0.0057 0.0089 0.0023 691 THR 47 OG1 -0.0072 0.0086 0.0036 692 THR 47 HG1 -0.0043 0.0114 0.0039 693 THR 47 CG2 -0.0018 0.0075 -0.0041 694 THR 47 HG21 -0.0021 0.0058 -0.0060 695 THR 47 HG22 0.0012 0.0110 -0.0030 696 THR 47 HG23 -0.0009 0.0062 -0.0068 697 THR 47 C -0.0148 0.0016 0.0032 698 THR 47 O -0.0182 -0.0006 0.0042 699 HIS 48 N -0.0158 0.0048 0.0077 700 HIS 48 HN -0.0122 0.0071 0.0055 701 HIS 48 CA -0.0202 0.0058 0.0138 702 HIS 48 HA -0.0237 0.0010 0.0138 703 HIS 48 CB -0.0179 0.0100 0.0149 704 HIS 48 HB1 -0.0167 0.0074 0.0111 705 HIS 48 HB2 -0.0212 0.0106 0.0194 706 HIS 48 CD2 -0.0120 0.0227 0.0193 707 HIS 48 HD2 -0.0150 0.0241 0.0241 708 HIS 48 CG -0.0127 0.0166 0.0146 709 HIS 48 NE2 -0.0064 0.0271 0.0165 710 HIS 48 HE2 -0.0045 0.0320 0.0186 711 HIS 48 ND1 -0.0076 0.0172 0.0090 712 HIS 48 HD1 -0.0069 0.0136 0.0049 713 HIS 48 CE1 -0.0039 0.0235 0.0104 714 HIS 48 HE1 0.0005 0.0258 0.0071 715 HIS 48 C -0.0222 0.0091 0.0192 716 HIS 48 O -0.0270 0.0081 0.0241 717 CYS 49 N -0.0263 0.0140 0.0289 718 CYS 49 HN -0.0185 0.0159 0.0201 719 CYS 49 CA -0.0270 0.0208 0.0388 720 CYS 49 HA -0.0342 0.0210 0.0494 721 CYS 49 CB -0.0146 0.0348 0.0394 722 CYS 49 HB1 -0.0075 0.0346 0.0289 723 CYS 49 HB2 -0.0123 0.0389 0.0414 724 CYS 49 SG -0.0147 0.0455 0.0535 725 CYS 49 HG1 -0.0209 0.0367 0.0509 726 CYS 49 C -0.0299 0.0139 0.0339 727 CYS 49 O -0.0308 0.0180 0.0406 728 GLY 50 N -0.0182 0.0041 0.0127 729 GLY 50 HN -0.0186 0.0033 0.0116 730 GLY 50 CA -0.0209 0.0001 0.0074 731 GLY 50 HA1 -0.0244 0.0001 0.0105 732 GLY 50 HA2 -0.0242 -0.0031 0.0042 733 GLY 50 C -0.0147 0.0002 0.0019 734 GLY 50 O -0.0160 -0.0021 -0.0014 735 LYS 51 N -0.0078 0.0025 -0.0027 736 LYS 51 HN -0.0094 0.0012 0.0008 737 LYS 51 CA -0.0037 0.0034 -0.0061 738 LYS 51 HA -0.0011 0.0042 -0.0087 739 LYS 51 CB 0.0004 0.0016 -0.0026 740 LYS 51 HB1 0.0037 0.0024 -0.0054 741 LYS 51 HB2 -0.0023 0.0010 -0.0004 742 LYS 51 CG 0.0038 -0.0005 0.0017 743 LYS 51 HG1 0.0059 -0.0018 0.0045 744 LYS 51 HG2 0.0007 -0.0012 0.0043 745 LYS 51 CD 0.0086 0.0000 -0.0009 746 LYS 51 HD1 0.0066 0.0015 -0.0039 747 LYS 51 HD2 0.0118 0.0007 -0.0032 748 LYS 51 CE 0.0117 -0.0020 0.0034 749 LYS 51 HE1 0.0131 -0.0036 0.0069 750 LYS 51 HE2 0.0087 -0.0024 0.0051 751 LYS 51 NZ 0.0172 -0.0016 0.0011 752 LYS 51 HZ1 0.0190 -0.0030 0.0040 753 LYS 51 HZ2 0.0203 -0.0015 -0.0001 754 LYS 51 HZ3 0.0163 -0.0001 -0.0024 755 LYS 51 C -0.0073 0.0053 -0.0098 756 LYS 51 O -0.0116 0.0050 -0.0080 757 TYR 52 N -0.0064 0.0059 -0.0106 758 TYR 52 HN -0.0062 0.0068 -0.0097 759 TYR 52 CA -0.0065 0.0047 -0.0124 760 TYR 52 HA -0.0070 0.0034 -0.0129 761 TYR 52 CB -0.0069 0.0040 -0.0118 762 TYR 52 HB1 -0.0069 0.0035 -0.0133 763 TYR 52 HB2 -0.0065 0.0053 -0.0109 764 TYR 52 CG -0.0079 0.0023 -0.0103 765 TYR 52 CD1 -0.0082 0.0026 -0.0081 766 TYR 52 HD1 -0.0077 0.0041 -0.0074 767 TYR 52 CE1 -0.0091 0.0009 -0.0068 768 TYR 52 HE1 -0.0093 0.0012 -0.0050 769 TYR 52 CZ -0.0098 -0.0011 -0.0076 770 TYR 52 OH -0.0107 -0.0027 -0.0062 771 TYR 52 HH -0.0111 -0.0040 -0.0071 772 TYR 52 CD2 -0.0086 0.0003 -0.0112 773 TYR 52 HD2 -0.0084 -0.0000 -0.0129 774 TYR 52 CE2 -0.0095 -0.0014 -0.0098 775 TYR 52 HE2 -0.0100 -0.0029 -0.0105 776 TYR 52 C -0.0057 0.0060 -0.0144 777 TYR 52 O -0.0049 0.0078 -0.0142 778 LEU 53 N -0.0025 0.0074 -0.0093 779 LEU 53 HN -0.0026 0.0074 -0.0093 780 LEU 53 CA -0.0017 0.0072 -0.0094 781 LEU 53 HA -0.0015 0.0075 -0.0093 782 LEU 53 CB -0.0011 0.0073 -0.0094 783 LEU 53 HB1 -0.0006 0.0070 -0.0095 784 LEU 53 HB2 -0.0013 0.0071 -0.0095 785 LEU 53 CG -0.0009 0.0081 -0.0092 786 LEU 53 HG -0.0007 0.0083 -0.0091 787 LEU 53 CD1 -0.0015 0.0086 -0.0090 788 LEU 53 HD11 -0.0012 0.0091 -0.0088 789 LEU 53 HD12 -0.0020 0.0086 -0.0089 790 LEU 53 HD13 -0.0016 0.0084 -0.0090 791 LEU 53 CD2 -0.0001 0.0081 -0.0092 792 LEU 53 HD21 0.0003 0.0078 -0.0093 793 LEU 53 HD22 0.0001 0.0087 -0.0090 794 LEU 53 HD23 -0.0002 0.0079 -0.0092 795 LEU 53 C -0.0017 0.0064 -0.0097 796 LEU 53 O -0.0021 0.0059 -0.0098 797 SER 54 N 0.0005 0.0130 -0.0093 798 SER 54 HN 0.0002 0.0139 -0.0100 799 SER 54 CA -0.0002 0.0111 -0.0078 800 SER 54 HA 0.0007 0.0102 -0.0071 801 SER 54 CB -0.0028 0.0108 -0.0078 802 SER 54 HB1 -0.0037 0.0117 -0.0086 803 SER 54 HB2 -0.0034 0.0112 -0.0082 804 SER 54 OG -0.0036 0.0089 -0.0064 805 SER 54 HG1 -0.0032 0.0083 -0.0059 806 SER 54 C 0.0006 0.0107 -0.0075 807 SER 54 O 0.0008 0.0119 -0.0084 808 ILE 55 N 0.0035 0.0067 -0.0032 809 ILE 55 HN 0.0030 0.0069 -0.0040 810 ILE 55 CA 0.0043 0.0054 -0.0019 811 ILE 55 HA 0.0047 0.0056 -0.0010 812 ILE 55 CB 0.0047 0.0057 -0.0009 813 ILE 55 HB 0.0045 0.0053 -0.0017 814 ILE 55 CG2 0.0044 0.0078 -0.0003 815 ILE 55 HG21 0.0046 0.0083 0.0005 816 ILE 55 HG22 0.0037 0.0086 -0.0014 817 ILE 55 HG23 0.0047 0.0081 0.0006 818 ILE 55 CG1 0.0057 0.0047 0.0008 819 ILE 55 HG11 0.0059 0.0032 0.0003 820 ILE 55 HG12 0.0059 0.0052 0.0016 821 ILE 55 CD 0.0062 0.0047 0.0019 822 ILE 55 HD1 0.0060 0.0039 0.0011 823 ILE 55 HD2 0.0060 0.0061 0.0022 824 ILE 55 HD3 0.0069 0.0040 0.0031 825 ILE 55 C 0.0045 0.0035 -0.0028 826 ILE 55 O 0.0052 0.0021 -0.0020 827 GLY 56 N 0.0025 0.0083 -0.0029 828 GLY 56 HN 0.0013 0.0094 -0.0031 829 GLY 56 CA 0.0009 0.0071 -0.0033 830 GLY 56 HA1 0.0009 0.0089 -0.0032 831 GLY 56 HA2 -0.0013 0.0066 -0.0038 832 GLY 56 C 0.0020 0.0043 -0.0031 833 GLY 56 O 0.0030 0.0021 -0.0030 834 ASP 57 N 0.0101 -0.0073 0.0030 835 ASP 57 HN 0.0113 -0.0050 0.0094 836 ASP 57 CA 0.0170 -0.0050 -0.0038 837 ASP 57 HA 0.0148 -0.0078 -0.0098 838 ASP 57 CB 0.0226 -0.0006 0.0006 839 ASP 57 HB1 0.0279 0.0013 -0.0043 840 ASP 57 HB2 0.0248 0.0023 0.0067 841 ASP 57 CG 0.0182 -0.0023 0.0038 842 ASP 57 OD1 0.0114 -0.0070 0.0013 843 ASP 57 OD2 0.0221 0.0011 0.0086 844 ASP 57 C 0.0223 -0.0026 -0.0071 845 ASP 57 O 0.0291 0.0003 -0.0114 846 HIS 58 N 0.0041 -0.0153 -0.0023 847 HIS 58 HN 0.0078 -0.0101 -0.0046 848 HIS 58 CA -0.0014 -0.0211 0.0035 849 HIS 58 HA -0.0047 -0.0225 0.0092 850 HIS 58 CB -0.0034 -0.0307 -0.0029 851 HIS 58 HB1 0.0003 -0.0293 -0.0096 852 HIS 58 HB2 -0.0045 -0.0348 -0.0053 853 HIS 58 CD2 -0.0093 -0.0413 -0.0020 854 HIS 58 HD2 -0.0061 -0.0409 -0.0086 855 HIS 58 CG -0.0087 -0.0372 0.0015 856 HIS 58 NE2 -0.0150 -0.0467 0.0047 857 HIS 58 HE2 -0.0170 -0.0510 0.0042 858 HIS 58 ND1 -0.0139 -0.0397 0.0102 859 HIS 58 HD1 -0.0147 -0.0377 0.0144 860 HIS 58 CE1 -0.0176 -0.0454 0.0119 861 HIS 58 HE1 -0.0222 -0.0490 0.0181 862 HIS 58 C -0.0011 -0.0160 0.0086 863 HIS 58 O 0.0035 -0.0084 0.0071 864 LYS 59 N -0.0041 -0.0205 0.0067 865 LYS 59 HN -0.0036 -0.0236 0.0070 866 LYS 59 CA -0.0006 -0.0169 0.0104 867 LYS 59 HA -0.0004 -0.0169 0.0107 868 LYS 59 CB 0.0034 -0.0196 0.0144 869 LYS 59 HB1 0.0060 -0.0165 0.0171 870 LYS 59 HB2 0.0031 -0.0198 0.0141 871 LYS 59 CG 0.0047 -0.0256 0.0155 872 LYS 59 HG1 0.0078 -0.0269 0.0185 873 LYS 59 HG2 0.0026 -0.0289 0.0131 874 LYS 59 CD 0.0048 -0.0262 0.0155 875 LYS 59 HD1 0.0061 -0.0306 0.0165 876 LYS 59 HD2 0.0015 -0.0260 0.0122 877 LYS 59 CE 0.0071 -0.0215 0.0180 878 LYS 59 HE1 0.0070 -0.0226 0.0179 879 LYS 59 HE2 0.0056 -0.0171 0.0167 880 LYS 59 NZ 0.0114 -0.0212 0.0224 881 LYS 59 HZ1 0.0128 -0.0252 0.0237 882 LYS 59 HZ2 0.0115 -0.0197 0.0226 883 LYS 59 HZ3 0.0129 -0.0182 0.0241 884 LYS 59 C -0.0010 -0.0105 0.0104 885 LYS 59 O 0.0006 -0.0068 0.0122 886 GLN 60 N 0.0030 -0.0069 0.0072 887 GLN 60 HN 0.0017 -0.0105 0.0053 888 GLN 60 CA 0.0037 -0.0035 0.0049 889 GLN 60 HA 0.0051 -0.0006 0.0081 890 GLN 60 CB 0.0023 -0.0072 0.0031 891 GLN 60 HB1 0.0030 -0.0043 0.0017 892 GLN 60 HB2 0.0010 -0.0097 -0.0008 893 GLN 60 CG 0.0018 -0.0114 0.0080 894 GLN 60 HG1 0.0010 -0.0132 0.0067 895 GLN 60 HG2 0.0007 -0.0151 0.0084 896 GLN 60 CD 0.0034 -0.0090 0.0141 897 GLN 60 OE1 0.0036 -0.0102 0.0178 898 GLN 60 NE2 0.0045 -0.0058 0.0152 899 GLN 60 HE21 0.0044 -0.0046 0.0121 900 GLN 60 HE22 0.0055 -0.0045 0.0193 901 GLN 60 C 0.0040 0.0000 -0.0005 902 GLN 60 O 0.0029 -0.0019 -0.0041 903 VAL 61 N 0.0050 0.0050 -0.0006 904 VAL 61 HN 0.0053 0.0057 0.0012 905 VAL 61 CA 0.0049 0.0073 -0.0029 906 VAL 61 HA 0.0049 0.0074 -0.0032 907 VAL 61 CB 0.0053 0.0104 -0.0019 908 VAL 61 HB 0.0053 0.0103 -0.0011 909 VAL 61 CG1 0.0051 0.0129 -0.0043 910 VAL 61 HG11 0.0050 0.0130 -0.0052 911 VAL 61 HG12 0.0054 0.0151 -0.0034 912 VAL 61 HG13 0.0049 0.0124 -0.0063 913 VAL 61 CG2 0.0057 0.0114 0.0009 914 VAL 61 HG21 0.0059 0.0137 0.0016 915 VAL 61 HG22 0.0056 0.0115 0.0003 916 VAL 61 HG23 0.0058 0.0098 0.0028 917 VAL 61 C 0.0045 0.0066 -0.0059 918 VAL 61 O 0.0044 0.0056 -0.0062 919 TYR 62 N 0.0045 0.0084 -0.0085 920 TYR 62 HN 0.0041 0.0085 -0.0091 921 TYR 62 CA 0.0039 0.0081 -0.0098 922 TYR 62 HA 0.0046 0.0076 -0.0091 923 TYR 62 CB 0.0038 0.0065 -0.0117 924 TYR 62 HB1 0.0030 0.0071 -0.0127 925 TYR 62 HB2 0.0048 0.0053 -0.0113 926 TYR 62 CG 0.0037 0.0058 -0.0128 927 TYR 62 CD1 0.0024 0.0063 -0.0146 928 TYR 62 HD1 0.0015 0.0073 -0.0151 929 TYR 62 CE1 0.0023 0.0056 -0.0155 930 TYR 62 HE1 0.0014 0.0061 -0.0168 931 TYR 62 CZ 0.0035 0.0044 -0.0148 932 TYR 62 OH 0.0033 0.0037 -0.0157 933 TYR 62 HH 0.0040 0.0034 -0.0148 934 TYR 62 CD2 0.0048 0.0044 -0.0121 935 TYR 62 HD2 0.0058 0.0040 -0.0108 936 TYR 62 CE2 0.0047 0.0038 -0.0131 937 TYR 62 HE2 0.0056 0.0028 -0.0125 938 TYR 62 C 0.0026 0.0100 -0.0103 939 TYR 62 O 0.0018 0.0113 -0.0103 940 LEU 63 N 0.0069 0.0099 -0.0135 941 LEU 63 HN 0.0078 0.0099 -0.0133 942 LEU 63 CA 0.0059 0.0100 -0.0129 943 LEU 63 HA 0.0050 0.0099 -0.0133 944 LEU 63 CB 0.0059 0.0101 -0.0115 945 LEU 63 HB1 0.0066 0.0102 -0.0110 946 LEU 63 HB2 0.0062 0.0101 -0.0114 947 LEU 63 CG 0.0046 0.0102 -0.0109 948 LEU 63 HG 0.0042 0.0102 -0.0112 949 LEU 63 CD1 0.0037 0.0102 -0.0113 950 LEU 63 HD11 0.0041 0.0102 -0.0111 951 LEU 63 HD12 0.0028 0.0102 -0.0108 952 LEU 63 HD13 0.0035 0.0101 -0.0123 953 LEU 63 CD2 0.0048 0.0104 -0.0095 954 LEU 63 HD21 0.0038 0.0104 -0.0090 955 LEU 63 HD22 0.0053 0.0104 -0.0092 956 LEU 63 HD23 0.0053 0.0104 -0.0092 957 LEU 63 C 0.0061 0.0099 -0.0131 958 LEU 63 O 0.0070 0.0100 -0.0128 959 SER 64 N -0.0052 0.0111 -0.0152 960 SER 64 HN -0.0059 0.0106 -0.0155 961 SER 64 CA -0.0042 0.0116 -0.0146 962 SER 64 HA -0.0036 0.0123 -0.0145 963 SER 64 CB -0.0044 0.0122 -0.0153 964 SER 64 HB1 -0.0052 0.0116 -0.0155 965 SER 64 HB2 -0.0046 0.0130 -0.0161 966 SER 64 OG -0.0036 0.0127 -0.0148 967 SER 64 HG1 -0.0036 0.0121 -0.0143 968 SER 64 C -0.0038 0.0107 -0.0135 969 SER 64 O -0.0045 0.0096 -0.0133 970 HIS 65 N 0.0032 0.0124 -0.0118 971 HIS 65 HN 0.0046 0.0177 -0.0120 972 HIS 65 CA 0.0101 0.0077 -0.0086 973 HIS 65 HA 0.0078 0.0013 -0.0086 974 HIS 65 CB 0.0170 0.0062 -0.0059 975 HIS 65 HB1 0.0196 0.0127 -0.0058 976 HIS 65 HB2 0.0142 0.0026 -0.0064 977 HIS 65 CD2 0.0319 0.0037 -0.0000 978 HIS 65 HD2 0.0351 0.0101 0.0003 979 HIS 65 CG 0.0239 0.0011 -0.0027 980 HIS 65 NE2 0.0356 -0.0035 0.0023 981 HIS 65 HE2 0.0414 -0.0037 0.0044 982 HIS 65 ND1 0.0225 -0.0078 -0.0020 983 HIS 65 HD1 0.0172 -0.0114 -0.0035 984 HIS 65 CE1 0.0297 -0.0102 0.0009 985 HIS 65 HE1 0.0308 -0.0167 0.0022 986 HIS 65 C 0.0137 0.0128 -0.0080 987 HIS 65 O 0.0169 0.0202 -0.0078 988 HIS 66 N 0.0073 0.0028 -0.0075 989 HIS 66 HN 0.0039 -0.0062 -0.0051 990 HIS 66 CA 0.0063 0.0081 -0.0103 991 HIS 66 HA 0.0016 0.0003 -0.0089 992 HIS 66 CB 0.0191 0.0125 -0.0065 993 HIS 66 HB1 0.0176 0.0157 -0.0086 994 HIS 66 HB2 0.0244 0.0203 -0.0076 995 HIS 66 CD2 0.0394 0.0029 0.0067 996 HIS 66 HD2 0.0466 0.0109 0.0063 997 HIS 66 CG 0.0268 0.0023 0.0014 998 HIS 66 NE2 0.0415 -0.0092 0.0129 999 HIS 66 HE2 0.0498 -0.0118 0.0178 1000 HIS 66 ND1 0.0211 -0.0099 0.0042 1001 HIS 66 HD1 0.0119 -0.0131 0.0015 1002 HIS 66 CE1 0.0303 -0.0164 0.0111 1003 HIS 66 HE1 0.0290 -0.0265 0.0150 1004 HIS 66 C -0.0025 0.0177 -0.0184 1005 HIS 66 O -0.0075 0.0210 -0.0221 1006 LEU 67 N -0.0057 0.0044 -0.0111 1007 LEU 67 HN -0.0044 0.0044 -0.0111 1008 LEU 67 CA -0.0059 0.0048 -0.0094 1009 LEU 67 HA -0.0065 0.0047 -0.0100 1010 LEU 67 CB -0.0037 0.0050 -0.0085 1011 LEU 67 HB1 -0.0029 0.0052 -0.0078 1012 LEU 67 HB2 -0.0027 0.0047 -0.0098 1013 LEU 67 CG -0.0036 0.0054 -0.0069 1014 LEU 67 HG -0.0042 0.0057 -0.0053 1015 LEU 67 CD1 -0.0050 0.0053 -0.0074 1016 LEU 67 HD11 -0.0067 0.0053 -0.0073 1017 LEU 67 HD12 -0.0046 0.0049 -0.0090 1018 LEU 67 HD13 -0.0047 0.0055 -0.0063 1019 LEU 67 CD2 -0.0013 0.0055 -0.0066 1020 LEU 67 HD21 -0.0012 0.0057 -0.0053 1021 LEU 67 HD22 -0.0007 0.0052 -0.0080 1022 LEU 67 HD23 -0.0002 0.0056 -0.0061 1023 LEU 67 C -0.0075 0.0052 -0.0077 1024 LEU 67 O -0.0071 0.0054 -0.0065 1025 HIS 68 N -0.0102 0.0099 -0.0066 1026 HIS 68 HN -0.0066 0.0138 -0.0138 1027 HIS 68 CA -0.0180 0.0058 0.0024 1028 HIS 68 HA -0.0272 0.0059 0.0052 1029 HIS 68 CB -0.0222 0.0099 -0.0027 1030 HIS 68 HB1 -0.0132 0.0100 -0.0057 1031 HIS 68 HB2 -0.0280 0.0161 -0.0103 1032 HIS 68 CD2 -0.0314 0.0048 0.0083 1033 HIS 68 HD2 -0.0243 0.0054 0.0050 1034 HIS 68 CG -0.0316 0.0066 0.0057 1035 HIS 68 NE2 -0.0424 0.0018 0.0166 1036 HIS 68 HE2 -0.0445 -0.0009 0.0216 1037 HIS 68 ND1 -0.0424 0.0047 0.0122 1038 HIS 68 HD1 -0.0450 0.0053 0.0121 1039 HIS 68 CE1 -0.0486 0.0018 0.0187 1040 HIS 68 HE1 -0.0575 -0.0004 0.0251 1041 HIS 68 C -0.0106 -0.0027 0.0131 1042 HIS 68 O 0.0018 -0.0049 0.0124 1043 GLY 69 N -0.0386 -0.0031 0.0286 1044 GLY 69 HN -0.0453 0.0011 0.0303 1045 GLY 69 CA -0.0352 -0.0108 0.0351 1046 GLY 69 HA1 -0.0408 -0.0112 0.0416 1047 GLY 69 HA2 -0.0301 -0.0155 0.0357 1048 GLY 69 C -0.0309 -0.0121 0.0322 1049 GLY 69 O -0.0238 -0.0186 0.0328 1050 ASP 70 N -0.0315 -0.0124 0.0311 1051 ASP 70 HN -0.0427 -0.0049 0.0297 1052 ASP 70 CA -0.0221 -0.0149 0.0288 1053 ASP 70 HA -0.0170 -0.0261 0.0365 1054 ASP 70 CB -0.0336 -0.0093 0.0293 1055 ASP 70 HB1 -0.0270 -0.0129 0.0293 1056 ASP 70 HB2 -0.0381 0.0022 0.0210 1057 ASP 70 CG -0.0487 -0.0149 0.0417 1058 ASP 70 OD1 -0.0461 -0.0277 0.0521 1059 ASP 70 OD2 -0.0630 -0.0063 0.0408 1060 ASP 70 C -0.0075 -0.0086 0.0160 1061 ASP 70 O -0.0079 0.0017 0.0069 1062 HIS 71 N 0.0015 -0.0018 0.0050 1063 HIS 71 HN 0.0020 -0.0031 0.0034 1064 HIS 71 CA 0.0032 -0.0016 0.0032 1065 HIS 71 HA 0.0030 -0.0045 0.0012 1066 HIS 71 CB 0.0069 0.0012 0.0009 1067 HIS 71 HB1 0.0082 0.0011 -0.0008 1068 HIS 71 HB2 0.0073 0.0043 0.0027 1069 HIS 71 CD2 0.0095 0.0018 -0.0017 1070 HIS 71 HD2 0.0100 0.0048 -0.0001 1071 HIS 71 CG 0.0082 -0.0001 -0.0016 1072 HIS 71 NE2 0.0103 -0.0008 -0.0045 1073 HIS 71 HE2 0.0113 -0.0002 -0.0053 1074 HIS 71 ND1 0.0081 -0.0039 -0.0043 1075 HIS 71 HD1 0.0072 -0.0059 -0.0048 1076 HIS 71 CE1 0.0093 -0.0041 -0.0060 1077 HIS 71 HE1 0.0096 -0.0067 -0.0082 1078 HIS 71 C 0.0020 -0.0006 0.0053 1079 HIS 71 O 0.0037 0.0023 0.0056 1080 SER 72 N -0.0047 -0.0003 0.0043 1081 SER 72 HN -0.0050 -0.0015 0.0052 1082 SER 72 CA -0.0043 0.0013 0.0031 1083 SER 72 HA -0.0035 0.0023 0.0023 1084 SER 72 CB -0.0065 0.0022 0.0028 1085 SER 72 HB1 -0.0062 0.0035 0.0018 1086 SER 72 HB2 -0.0073 0.0012 0.0036 1087 SER 72 OG -0.0082 0.0026 0.0026 1088 SER 72 HG1 -0.0089 0.0015 0.0036 1089 SER 72 C -0.0027 0.0008 0.0033 1090 SER 72 O -0.0024 0.0020 0.0024 1091 LEU 73 N -0.0120 -0.0016 0.0082 1092 LEU 73 HN -0.0134 -0.0026 0.0105 1093 LEU 73 CA -0.0076 -0.0009 0.0088 1094 LEU 73 HA -0.0064 0.0001 0.0061 1095 LEU 73 CB -0.0063 -0.0016 0.0122 1096 LEU 73 HB1 -0.0031 -0.0009 0.0121 1097 LEU 73 HB2 -0.0069 -0.0025 0.0150 1098 LEU 73 CG -0.0084 -0.0021 0.0123 1099 LEU 73 HG -0.0117 -0.0028 0.0125 1100 LEU 73 CD1 -0.0070 -0.0028 0.0160 1101 LEU 73 HD11 -0.0086 -0.0032 0.0161 1102 LEU 73 HD12 -0.0075 -0.0037 0.0187 1103 LEU 73 HD13 -0.0038 -0.0021 0.0159 1104 LEU 73 CD2 -0.0078 -0.0009 0.0086 1105 LEU 73 HD21 -0.0089 -0.0004 0.0059 1106 LEU 73 HD22 -0.0093 -0.0013 0.0088 1107 LEU 73 HD23 -0.0045 -0.0002 0.0084 1108 LEU 73 C -0.0058 -0.0008 0.0096 1109 LEU 73 O -0.0073 -0.0018 0.0120 1110 PHE 74 N -0.0079 -0.0018 0.0012 1111 PHE 74 HN -0.0084 -0.0021 0.0019 1112 PHE 74 CA -0.0071 -0.0018 -0.0002 1113 PHE 74 HA -0.0066 -0.0014 -0.0009 1114 PHE 74 CB -0.0069 -0.0006 -0.0001 1115 PHE 74 HB1 -0.0063 -0.0007 -0.0011 1116 PHE 74 HB2 -0.0074 -0.0009 0.0007 1117 PHE 74 CG -0.0067 0.0011 0.0002 1118 PHE 74 CD1 -0.0073 0.0018 0.0015 1119 PHE 74 HD1 -0.0080 0.0011 0.0024 1120 PHE 74 CE1 -0.0072 0.0033 0.0018 1121 PHE 74 HE1 -0.0077 0.0039 0.0029 1122 PHE 74 CZ -0.0063 0.0042 0.0007 1123 PHE 74 HZ -0.0062 0.0054 0.0009 1124 PHE 74 CD2 -0.0058 0.0019 -0.0009 1125 PHE 74 HD2 -0.0053 0.0014 -0.0020 1126 PHE 74 CE2 -0.0057 0.0035 -0.0007 1127 PHE 74 HE2 -0.0050 0.0042 -0.0015 1128 PHE 74 C -0.0071 -0.0034 -0.0008 1129 PHE 74 O -0.0077 -0.0045 -0.0001 1130 HIS 75 N -0.0099 -0.0048 0.0030 1131 HIS 75 HN -0.0083 -0.0014 0.0008 1132 HIS 75 CA -0.0118 -0.0099 -0.0005 1133 HIS 75 HA -0.0135 -0.0134 0.0024 1134 HIS 75 CB -0.0115 -0.0102 -0.0055 1135 HIS 75 HB1 -0.0098 -0.0067 -0.0084 1136 HIS 75 HB2 -0.0115 -0.0098 -0.0033 1137 HIS 75 CD2 -0.0154 -0.0201 -0.0096 1138 HIS 75 HD2 -0.0162 -0.0216 -0.0068 1139 HIS 75 CG -0.0134 -0.0154 -0.0094 1140 HIS 75 NE2 -0.0163 -0.0233 -0.0143 1141 HIS 75 HE2 -0.0178 -0.0270 -0.0157 1142 HIS 75 ND1 -0.0131 -0.0155 -0.0139 1143 HIS 75 HD1 -0.0118 -0.0126 -0.0148 1144 HIS 75 CE1 -0.0149 -0.0203 -0.0167 1145 HIS 75 HE1 -0.0152 -0.0218 -0.0205 1146 HIS 75 C -0.0119 -0.0105 -0.0031 1147 HIS 75 O -0.0101 -0.0069 -0.0062 1148 LEU 76 N -0.0104 -0.0107 -0.0087 1149 LEU 76 HN -0.0110 -0.0114 -0.0082 1150 LEU 76 CA -0.0099 -0.0104 -0.0091 1151 LEU 76 HA -0.0094 -0.0095 -0.0093 1152 LEU 76 CB -0.0107 -0.0104 -0.0082 1153 LEU 76 HB1 -0.0103 -0.0101 -0.0085 1154 LEU 76 HB2 -0.0111 -0.0115 -0.0081 1155 LEU 76 CG -0.0113 -0.0096 -0.0070 1156 LEU 76 HG -0.0116 -0.0099 -0.0067 1157 LEU 76 CD1 -0.0120 -0.0098 -0.0062 1158 LEU 76 HD11 -0.0117 -0.0096 -0.0065 1159 LEU 76 HD12 -0.0125 -0.0092 -0.0053 1160 LEU 76 HD13 -0.0125 -0.0109 -0.0061 1161 LEU 76 CD2 -0.0107 -0.0081 -0.0070 1162 LEU 76 HD21 -0.0102 -0.0079 -0.0076 1163 LEU 76 HD22 -0.0112 -0.0075 -0.0062 1164 LEU 76 HD23 -0.0104 -0.0077 -0.0073 1165 LEU 76 C -0.0095 -0.0115 -0.0101 1166 LEU 76 O -0.0100 -0.0126 -0.0101 1167 GLU 77 N -0.0097 -0.0103 -0.0121 1168 GLU 77 HN -0.0083 -0.0100 -0.0115 1169 GLU 77 CA -0.0096 -0.0107 -0.0127 1170 GLU 77 HA -0.0110 -0.0111 -0.0136 1171 GLU 77 CB -0.0075 -0.0117 -0.0136 1172 GLU 77 HB1 -0.0075 -0.0119 -0.0139 1173 GLU 77 HB2 -0.0059 -0.0112 -0.0127 1174 GLU 77 CG -0.0074 -0.0130 -0.0155 1175 GLU 77 HG1 -0.0068 -0.0129 -0.0152 1176 GLU 77 HG2 -0.0092 -0.0132 -0.0161 1177 GLU 77 CD -0.0060 -0.0141 -0.0168 1178 GLU 77 OE1 -0.0039 -0.0142 -0.0165 1179 GLU 77 OE2 -0.0070 -0.0151 -0.0184 1180 GLU 77 C -0.0097 -0.0094 -0.0109 1181 GLU 77 O -0.0082 -0.0087 -0.0096 1182 HIS 78 N -0.0045 0.0008 -0.0092 1183 HIS 78 HN -0.0036 0.0030 -0.0096 1184 HIS 78 CA -0.0048 0.0003 -0.0091 1185 HIS 78 HA -0.0054 -0.0024 -0.0092 1186 HIS 78 CB -0.0027 0.0017 -0.0112 1187 HIS 78 HB1 -0.0030 0.0020 -0.0107 1188 HIS 78 HB2 -0.0019 0.0042 -0.0114 1189 HIS 78 CD2 0.0007 -0.0003 -0.0162 1190 HIS 78 HD2 0.0014 0.0015 -0.0165 1191 HIS 78 CG -0.0011 -0.0005 -0.0139 1192 HIS 78 NE2 0.0017 -0.0028 -0.0183 1193 HIS 78 HE2 0.0031 -0.0032 -0.0201 1194 HIS 78 ND1 -0.0012 -0.0031 -0.0147 1195 HIS 78 HD1 -0.0024 -0.0039 -0.0135 1196 HIS 78 CE1 0.0005 -0.0044 -0.0173 1197 HIS 78 HE1 0.0008 -0.0066 -0.0184 1198 HIS 78 C -0.0065 0.0019 -0.0064 1199 HIS 78 O -0.0064 0.0048 -0.0055 1200 HIS 79 N 0.0040 0.0077 -0.0067 1201 HIS 79 HN 0.0031 -0.0044 -0.0113 1202 HIS 79 CA -0.0028 0.0153 0.0047 1203 HIS 79 HA 0.0017 0.0286 0.0058 1204 HIS 79 CB -0.0161 0.0118 0.0185 1205 HIS 79 HB1 -0.0214 0.0158 0.0265 1206 HIS 79 HB2 -0.0204 -0.0018 0.0171 1207 HIS 79 CD2 -0.0226 0.0145 0.0273 1208 HIS 79 HD2 -0.0258 0.0016 0.0251 1209 HIS 79 CG -0.0176 0.0207 0.0244 1210 HIS 79 NE2 -0.0234 0.0280 0.0346 1211 HIS 79 HE2 -0.0267 0.0278 0.0383 1212 HIS 79 ND1 -0.0154 0.0378 0.0299 1213 HIS 79 HD1 -0.0120 0.0456 0.0296 1214 HIS 79 CE1 -0.0190 0.0417 0.0358 1215 HIS 79 HE1 -0.0183 0.0544 0.0410 1216 HIS 79 C -0.0039 0.0076 0.0024 1217 HIS 79 O -0.0092 -0.0074 0.0015 1218 GLY 80 N 0.0021 0.0657 0.0193 1219 GLY 80 HN 0.0117 0.0875 0.0242 1220 GLY 80 CA 0.0037 0.0497 0.0083 1221 GLY 80 HA1 -0.0161 0.0391 0.0189 1222 GLY 80 HA2 0.0164 0.0655 0.0069 1223 GLY 80 C 0.0160 0.0255 -0.0167 1224 GLY 80 O 0.0376 0.0313 -0.0316 1225 GLY 81 N -0.0036 -0.0282 -0.0162 1226 GLY 81 HN -0.0130 -0.0301 -0.0204 1227 GLY 81 CA 0.0019 -0.0349 -0.0175 1228 GLY 81 HA1 -0.0027 -0.0441 -0.0237 1229 GLY 81 HA2 0.0133 -0.0369 -0.0145 1230 GLY 81 C -0.0019 -0.0268 -0.0149 1231 GLY 81 O 0.0036 -0.0301 -0.0146 1232 LYS 82 N -0.0107 -0.0218 -0.0077 1233 LYS 82 HN -0.0147 -0.0185 -0.0079 1234 LYS 82 CA -0.0085 -0.0201 -0.0083 1235 LYS 82 HA -0.0064 -0.0251 -0.0075 1236 LYS 82 CB -0.0151 -0.0171 -0.0082 1237 LYS 82 HB1 -0.0133 -0.0157 -0.0087 1238 LYS 82 HB2 -0.0172 -0.0120 -0.0090 1239 LYS 82 CG -0.0214 -0.0225 -0.0064 1240 LYS 82 HG1 -0.0230 -0.0244 -0.0059 1241 LYS 82 HG2 -0.0194 -0.0274 -0.0057 1242 LYS 82 CD -0.0284 -0.0192 -0.0063 1243 LYS 82 HD1 -0.0272 -0.0178 -0.0067 1244 LYS 82 HD2 -0.0298 -0.0140 -0.0072 1245 LYS 82 CE -0.0351 -0.0242 -0.0046 1246 LYS 82 HE1 -0.0400 -0.0214 -0.0046 1247 LYS 82 HE2 -0.0364 -0.0254 -0.0042 1248 LYS 82 NZ -0.0338 -0.0312 -0.0034 1249 LYS 82 HZ1 -0.0323 -0.0304 -0.0037 1250 LYS 82 HZ2 -0.0295 -0.0344 -0.0032 1251 LYS 82 HZ3 -0.0385 -0.0344 -0.0022 1252 LYS 82 C -0.0022 -0.0147 -0.0101 1253 LYS 82 O -0.0018 -0.0095 -0.0111 1254 VAL 83 N -0.0024 -0.0115 -0.0049 1255 VAL 83 HN -0.0016 -0.0118 -0.0040 1256 VAL 83 CA -0.0015 -0.0111 -0.0062 1257 VAL 83 HA -0.0023 -0.0106 -0.0073 1258 VAL 83 CB -0.0012 -0.0113 -0.0056 1259 VAL 83 HB -0.0026 -0.0114 -0.0053 1260 VAL 83 CG1 0.0000 -0.0118 -0.0041 1261 VAL 83 HG11 0.0001 -0.0120 -0.0037 1262 VAL 83 HG12 -0.0005 -0.0122 -0.0030 1263 VAL 83 HG13 0.0014 -0.0117 -0.0044 1264 VAL 83 CG2 -0.0005 -0.0107 -0.0071 1265 VAL 83 HG21 -0.0005 -0.0109 -0.0068 1266 VAL 83 HG22 0.0009 -0.0106 -0.0075 1267 VAL 83 HG23 -0.0014 -0.0103 -0.0083 1268 VAL 83 C 0.0003 -0.0109 -0.0067 1269 VAL 83 O 0.0013 -0.0113 -0.0057 1270 SER 84 N -0.0026 -0.0084 -0.0039 1271 SER 84 HN -0.0034 -0.0090 -0.0044 1272 SER 84 CA -0.0014 -0.0090 -0.0045 1273 SER 84 HA -0.0006 -0.0082 -0.0039 1274 SER 84 CB -0.0002 -0.0100 -0.0054 1275 SER 84 HB1 -0.0009 -0.0109 -0.0061 1276 SER 84 HB2 0.0005 -0.0094 -0.0050 1277 SER 84 OG 0.0011 -0.0104 -0.0059 1278 SER 84 HG1 0.0019 -0.0110 -0.0064 1279 SER 84 C -0.0025 -0.0096 -0.0050 1280 SER 84 O -0.0039 -0.0102 -0.0054 1281 ILE 85 N -0.0010 -0.0044 -0.0030 1282 ILE 85 HN -0.0005 -0.0035 -0.0035 1283 ILE 85 CA -0.0015 -0.0041 -0.0019 1284 ILE 85 HA -0.0021 -0.0051 -0.0014 1285 ILE 85 CB -0.0016 -0.0028 -0.0009 1286 ILE 85 HB -0.0011 -0.0018 -0.0014 1287 ILE 85 CG2 -0.0022 -0.0027 0.0004 1288 ILE 85 HG21 -0.0023 -0.0018 0.0011 1289 ILE 85 HG22 -0.0021 -0.0025 0.0002 1290 ILE 85 HG23 -0.0028 -0.0037 0.0009 1291 ILE 85 CG1 -0.0017 -0.0029 -0.0007 1292 ILE 85 HG11 -0.0018 -0.0019 -0.0001 1293 ILE 85 HG12 -0.0012 -0.0029 -0.0017 1294 ILE 85 CD -0.0024 -0.0042 -0.0001 1295 ILE 85 HD1 -0.0025 -0.0043 -0.0001 1296 ILE 85 HD2 -0.0029 -0.0042 0.0009 1297 ILE 85 HD3 -0.0024 -0.0052 -0.0007 1298 ILE 85 C -0.0012 -0.0038 -0.0023 1299 ILE 85 O -0.0006 -0.0028 -0.0029 1300 LYS 86 N -0.0060 -0.0034 -0.0016 1301 LYS 86 HN -0.0087 -0.0057 -0.0006 1302 LYS 86 CA -0.0035 -0.0019 -0.0047 1303 LYS 86 HA -0.0006 0.0009 -0.0046 1304 LYS 86 CB -0.0041 -0.0039 -0.0102 1305 LYS 86 HB1 -0.0038 -0.0040 -0.0115 1306 LYS 86 HB2 -0.0018 -0.0023 -0.0126 1307 LYS 86 CG -0.0079 -0.0077 -0.0112 1308 LYS 86 HG1 -0.0080 -0.0076 -0.0103 1309 LYS 86 HG2 -0.0102 -0.0093 -0.0087 1310 LYS 86 CD -0.0082 -0.0094 -0.0167 1311 LYS 86 HD1 -0.0082 -0.0096 -0.0172 1312 LYS 86 HD2 -0.0056 -0.0076 -0.0191 1313 LYS 86 CE -0.0117 -0.0131 -0.0182 1314 LYS 86 HE1 -0.0117 -0.0130 -0.0180 1315 LYS 86 HE2 -0.0143 -0.0148 -0.0155 1316 LYS 86 NZ -0.0121 -0.0148 -0.0233 1317 LYS 86 HZ1 -0.0095 -0.0129 -0.0252 1318 LYS 86 HZ2 -0.0139 -0.0164 -0.0228 1319 LYS 86 HZ3 -0.0134 -0.0165 -0.0251 1320 LYS 86 C -0.0039 -0.0017 -0.0025 1321 LYS 86 O -0.0067 -0.0036 0.0006 1322 GLY 87 N -0.0033 0.0028 -0.0010 1323 GLY 87 HN -0.0033 0.0044 -0.0032 1324 GLY 87 CA -0.0020 0.0041 0.0017 1325 GLY 87 HA1 -0.0009 0.0064 0.0028 1326 GLY 87 HA2 -0.0021 0.0021 0.0039 1327 GLY 87 C -0.0020 0.0055 0.0001 1328 GLY 87 O -0.0031 0.0049 -0.0029 1329 HIS 88 N -0.0002 0.0068 0.0066 1330 HIS 88 HN 0.0031 0.0065 0.0107 1331 HIS 88 CA -0.0001 0.0146 0.0077 1332 HIS 88 HA -0.0006 0.0108 0.0066 1333 HIS 88 CB 0.0062 0.0193 0.0163 1334 HIS 88 HB1 0.0068 0.0240 0.0176 1335 HIS 88 HB2 0.0101 0.0131 0.0204 1336 HIS 88 CD2 0.0091 0.0345 0.0219 1337 HIS 88 HD2 0.0108 0.0395 0.0247 1338 HIS 88 CG 0.0071 0.0254 0.0182 1339 HIS 88 NE2 0.0085 0.0366 0.0215 1340 HIS 88 HE2 0.0094 0.0430 0.0235 1341 HIS 88 ND1 0.0053 0.0216 0.0155 1342 HIS 88 HD1 0.0037 0.0149 0.0125 1343 HIS 88 CE1 0.0062 0.0287 0.0175 1344 HIS 88 HE1 0.0051 0.0284 0.0161 1345 HIS 88 C -0.0057 0.0226 0.0017 1346 HIS 88 O -0.0085 0.0247 -0.0015 1347 HIS 89 N 0.0138 0.0223 -0.0095 1348 HIS 89 HN 0.0172 0.0192 -0.0044 1349 HIS 89 CA 0.0082 0.0302 -0.0171 1350 HIS 89 HA 0.0091 0.0319 -0.0145 1351 HIS 89 CB 0.0055 0.0426 -0.0167 1352 HIS 89 HB1 0.0014 0.0483 -0.0220 1353 HIS 89 HB2 0.0042 0.0417 -0.0197 1354 HIS 89 CD2 0.0121 0.0529 0.0011 1355 HIS 89 HD2 0.0115 0.0521 -0.0005 1356 HIS 89 CG 0.0098 0.0489 -0.0054 1357 HIS 89 NE2 0.0154 0.0588 0.0103 1358 HIS 89 HE2 0.0176 0.0634 0.0166 1359 HIS 89 ND1 0.0116 0.0520 -0.0003 1360 HIS 89 HD1 0.0106 0.0502 -0.0031 1361 HIS 89 CE1 0.0150 0.0580 0.0091 1362 HIS 89 HE1 0.0171 0.0621 0.0151 1363 HIS 89 C 0.0037 0.0240 -0.0286 1364 HIS 89 O -0.0015 0.0295 -0.0363 1365 HIS 90 N 0.0032 0.0123 -0.0205 1366 HIS 90 HN 0.0014 0.0114 -0.0160 1367 HIS 90 CA -0.0005 0.0100 -0.0214 1368 HIS 90 HA -0.0051 0.0073 -0.0175 1369 HIS 90 CB -0.0034 0.0079 -0.0301 1370 HIS 90 HB1 -0.0055 0.0067 -0.0306 1371 HIS 90 HB2 0.0008 0.0104 -0.0348 1372 HIS 90 CD2 -0.0092 0.0043 -0.0329 1373 HIS 90 HD2 -0.0049 0.0070 -0.0327 1374 HIS 90 CG -0.0093 0.0043 -0.0319 1375 HIS 90 NE2 -0.0159 0.0001 -0.0343 1376 HIS 90 HE2 -0.0174 -0.0008 -0.0352 1377 HIS 90 ND1 -0.0161 0.0000 -0.0330 1378 HIS 90 HD1 -0.0178 -0.0010 -0.0335 1379 HIS 90 CE1 -0.0199 -0.0023 -0.0344 1380 HIS 90 HE1 -0.0254 -0.0058 -0.0355 1381 HIS 90 C 0.0030 0.0123 -0.0177 1382 HIS 90 O 0.0010 0.0110 -0.0192 1383 HIS 91 N -0.0012 0.0056 -0.0075 1384 HIS 91 HN -0.0006 0.0057 -0.0079 1385 HIS 91 CA -0.0014 0.0048 -0.0070 1386 HIS 91 HA -0.0019 0.0049 -0.0067 1387 HIS 91 CB -0.0006 0.0043 -0.0071 1388 HIS 91 HB1 -0.0008 0.0037 -0.0067 1389 HIS 91 HB2 -0.0000 0.0042 -0.0074 1390 HIS 91 CD2 0.0001 0.0051 -0.0080 1391 HIS 91 HD2 0.0007 0.0050 -0.0083 1392 HIS 91 CG -0.0006 0.0048 -0.0074 1393 HIS 91 NE2 -0.0003 0.0056 -0.0081 1394 HIS 91 HE2 0.0000 0.0060 -0.0084 1395 HIS 91 ND1 -0.0013 0.0051 -0.0072 1396 HIS 91 HD1 -0.0019 0.0050 -0.0068 1397 HIS 91 CE1 -0.0011 0.0056 -0.0076 1398 HIS 91 HE1 -0.0015 0.0060 -0.0075 1399 HIS 91 C -0.0014 0.0042 -0.0066 1400 HIS 91 O -0.0010 0.0042 -0.0069 1401 TYR 92 N 0.0036 0.0012 -0.0015 1402 TYR 92 HN 0.0046 0.0023 -0.0031 1403 TYR 92 CA 0.0031 0.0006 -0.0007 1404 TYR 92 HA 0.0020 -0.0010 0.0006 1405 TYR 92 CB 0.0036 -0.0004 -0.0034 1406 TYR 92 HB1 0.0034 -0.0004 -0.0029 1407 TYR 92 HB2 0.0047 0.0010 -0.0050 1408 TYR 92 CG 0.0028 -0.0032 -0.0046 1409 TYR 92 CD1 0.0032 -0.0037 -0.0064 1410 TYR 92 HD1 0.0041 -0.0020 -0.0069 1411 TYR 92 CE1 0.0025 -0.0063 -0.0075 1412 TYR 92 HE1 0.0028 -0.0067 -0.0088 1413 TYR 92 CZ 0.0014 -0.0085 -0.0069 1414 TYR 92 OH 0.0006 -0.0112 -0.0078 1415 TYR 92 HH -0.0002 -0.0125 -0.0070 1416 TYR 92 CD2 0.0017 -0.0054 -0.0041 1417 TYR 92 HD2 0.0014 -0.0051 -0.0028 1418 TYR 92 CE2 0.0010 -0.0081 -0.0052 1419 TYR 92 HE2 0.0002 -0.0098 -0.0047 1420 TYR 92 C 0.0036 0.0031 0.0009 1421 TYR 92 O 0.0048 0.0054 0.0001 1422 ILE 93 N 0.0045 0.0065 0.0036 1423 ILE 93 HN 0.0037 0.0066 0.0035 1424 ILE 93 CA 0.0045 0.0072 0.0042 1425 ILE 93 HA 0.0049 0.0068 0.0039 1426 ILE 93 CB 0.0031 0.0078 0.0043 1427 ILE 93 HB 0.0027 0.0083 0.0046 1428 ILE 93 CG2 0.0022 0.0069 0.0034 1429 ILE 93 HG21 0.0012 0.0073 0.0034 1430 ILE 93 HG22 0.0026 0.0064 0.0030 1431 ILE 93 HG23 0.0021 0.0064 0.0029 1432 ILE 93 CG1 0.0031 0.0086 0.0050 1433 ILE 93 HG11 0.0034 0.0081 0.0046 1434 ILE 93 HG12 0.0039 0.0091 0.0056 1435 ILE 93 CD 0.0018 0.0093 0.0052 1436 ILE 93 HD1 0.0015 0.0098 0.0056 1437 ILE 93 HD2 0.0018 0.0099 0.0057 1438 ILE 93 HD3 0.0009 0.0089 0.0046 1439 ILE 93 C 0.0055 0.0080 0.0051 1440 ILE 93 O 0.0053 0.0086 0.0055 1441 SER 94 N 0.0037 0.0124 0.0104 1442 SER 94 HN 0.0040 0.0131 0.0108 1443 SER 94 CA 0.0043 0.0129 0.0097 1444 SER 94 HA 0.0039 0.0121 0.0092 1445 SER 94 CB 0.0053 0.0137 0.0083 1446 SER 94 HB1 0.0058 0.0146 0.0087 1447 SER 94 HB2 0.0050 0.0129 0.0075 1448 SER 94 OG 0.0058 0.0139 0.0072 1449 SER 94 HG1 0.0062 0.0147 0.0078 1450 SER 94 C 0.0047 0.0140 0.0108 1451 SER 94 O 0.0050 0.0149 0.0117 1452 ALA 95 N 0.0045 0.0175 0.0160 1453 ALA 95 HN 0.0040 0.0177 0.0161 1454 ALA 95 CA 0.0045 0.0157 0.0153 1455 ALA 95 HA 0.0053 0.0156 0.0153 1456 ALA 95 CB 0.0052 0.0144 0.0148 1457 ALA 95 HB1 0.0044 0.0145 0.0149 1458 ALA 95 HB2 0.0052 0.0131 0.0143 1459 ALA 95 HB3 0.0067 0.0148 0.0149 1460 ALA 95 C 0.0025 0.0153 0.0152 1461 ALA 95 O 0.0012 0.0155 0.0153 1462 ASP 96 N -0.0059 0.0124 0.0163 1463 ASP 96 HN -0.0036 0.0113 0.0141 1464 ASP 96 CA -0.0104 0.0087 0.0182 1465 ASP 96 HA -0.0131 0.0109 0.0212 1466 ASP 96 CB -0.0112 0.0051 0.0173 1467 ASP 96 HB1 -0.0146 0.0020 0.0186 1468 ASP 96 HB2 -0.0084 0.0029 0.0141 1469 ASP 96 CG -0.0113 0.0084 0.0188 1470 ASP 96 OD1 -0.0113 0.0059 0.0177 1471 ASP 96 OD2 -0.0114 0.0133 0.0210 1472 ASP 96 C -0.0104 0.0053 0.0167 1473 ASP 96 O -0.0068 0.0055 0.0140 1474 HIS 97 N -0.0263 0.0026 0.0214 1475 HIS 97 HN -0.0341 0.0062 0.0234 1476 HIS 97 CA -0.0265 -0.0082 0.0151 1477 HIS 97 HA -0.0210 -0.0092 0.0145 1478 HIS 97 CB -0.0391 -0.0122 0.0127 1479 HIS 97 HB1 -0.0389 -0.0205 0.0080 1480 HIS 97 HB2 -0.0449 -0.0115 0.0132 1481 HIS 97 CD2 -0.0438 -0.0078 0.0153 1482 HIS 97 HD2 -0.0383 -0.0130 0.0123 1483 HIS 97 CG -0.0449 -0.0065 0.0161 1484 HIS 97 NE2 -0.0512 -0.0005 0.0195 1485 HIS 97 HE2 -0.0512 0.0016 0.0208 1486 HIS 97 ND1 -0.0530 0.0012 0.0205 1487 HIS 97 HD1 -0.0556 0.0036 0.0219 1488 HIS 97 CE1 -0.0565 0.0046 0.0225 1489 HIS 97 HE1 -0.0628 0.0109 0.0261 1490 HIS 97 C -0.0213 -0.0152 0.0111 1491 HIS 97 O -0.0172 -0.0236 0.0061 1492 HIS 98 N -0.0270 -0.0093 0.0280 1493 HIS 98 HN -0.0278 -0.0081 0.0296 1494 HIS 98 CA -0.0226 -0.0192 0.0191 1495 HIS 98 HA -0.0197 -0.0155 0.0138 1496 HIS 98 CB -0.0259 -0.0326 0.0243 1497 HIS 98 HB1 -0.0290 -0.0364 0.0298 1498 HIS 98 HB2 -0.0288 -0.0310 0.0300 1499 HIS 98 CD2 -0.0210 -0.0555 0.0135 1500 HIS 98 HD2 -0.0237 -0.0608 0.0182 1501 HIS 98 CG -0.0215 -0.0431 0.0153 1502 HIS 98 NE2 -0.0162 -0.0605 0.0040 1503 HIS 98 HE2 -0.0146 -0.0696 0.0005 1504 HIS 98 ND1 -0.0171 -0.0402 0.0071 1505 HIS 98 HD1 -0.0163 -0.0317 0.0063 1506 HIS 98 CE1 -0.0140 -0.0510 0.0005 1507 HIS 98 HE1 -0.0102 -0.0520 -0.0067 1508 HIS 98 C -0.0184 -0.0214 0.0109 1509 HIS 98 O -0.0200 -0.0188 0.0141 1510 GLY 99 N -0.0092 -0.0185 0.0109 1511 GLY 99 HN -0.0079 -0.0217 0.0082 1512 GLY 99 CA -0.0057 -0.0176 0.0078 1513 GLY 99 HA1 -0.0092 -0.0188 0.0108 1514 GLY 99 HA2 -0.0029 -0.0221 0.0030 1515 GLY 99 C -0.0008 -0.0090 0.0069 1516 GLY 99 O 0.0010 -0.0037 0.0075 1517 HIS 100 N 0.0012 -0.0056 0.0086 1518 HIS 100 HN 0.0002 -0.0093 0.0082 1519 HIS 100 CA 0.0026 -0.0021 0.0071 1520 HIS 100 HA 0.0040 -0.0001 0.0039 1521 HIS 100 CB 0.0022 -0.0052 0.0051 1522 HIS 100 HB1 0.0033 -0.0025 0.0038 1523 HIS 100 HB2 0.0008 -0.0073 0.0083 1524 HIS 100 CD2 0.0034 -0.0082 -0.0042 1525 HIS 100 HD2 0.0047 -0.0048 -0.0056 1526 HIS 100 CG 0.0021 -0.0089 0.0005 1527 HIS 100 NE2 0.0026 -0.0128 -0.0071 1528 HIS 100 HE2 0.0033 -0.0136 -0.0108 1529 HIS 100 ND1 0.0006 -0.0138 0.0006 1530 HIS 100 HD1 -0.0006 -0.0154 0.0036 1531 HIS 100 CE1 0.0010 -0.0160 -0.0040 1532 HIS 100 HE1 0.0001 -0.0200 -0.0053 1533 HIS 100 C 0.0029 0.0019 0.0112 1534 HIS 100 O 0.0016 0.0008 0.0155 1535 VAL 101 N 0.0050 0.0084 0.0093 1536 VAL 101 HN 0.0058 0.0085 0.0076 1537 VAL 101 CA 0.0052 0.0107 0.0106 1538 VAL 101 HA 0.0045 0.0109 0.0124 1539 VAL 101 CB 0.0065 0.0129 0.0093 1540 VAL 101 HB 0.0072 0.0125 0.0073 1541 VAL 101 CG1 0.0069 0.0155 0.0103 1542 VAL 101 HG11 0.0070 0.0156 0.0102 1543 VAL 101 HG12 0.0063 0.0160 0.0122 1544 VAL 101 HG13 0.0078 0.0169 0.0092 1545 VAL 101 CG2 0.0064 0.0129 0.0094 1546 VAL 101 HG21 0.0057 0.0132 0.0113 1547 VAL 101 HG22 0.0062 0.0111 0.0086 1548 VAL 101 HG23 0.0073 0.0144 0.0084 1549 VAL 101 C 0.0051 0.0108 0.0109 1550 VAL 101 O 0.0054 0.0097 0.0094 1551 SER 102 N 0.0058 0.0121 0.0134 1552 SER 102 HN 0.0065 0.0136 0.0149 1553 SER 102 CA 0.0057 0.0098 0.0131 1554 SER 102 HA 0.0047 0.0088 0.0112 1555 SER 102 CB 0.0068 0.0072 0.0152 1556 SER 102 HB1 0.0066 0.0065 0.0149 1557 SER 102 HB2 0.0065 0.0052 0.0147 1558 SER 102 OG 0.0081 0.0080 0.0179 1559 SER 102 HG1 0.0085 0.0088 0.0186 1560 SER 102 C 0.0059 0.0109 0.0135 1561 SER 102 O 0.0054 0.0134 0.0127 1562 THR 103 N 0.0052 0.0066 0.0122 1563 THR 103 HN 0.0062 0.0051 0.0128 1564 THR 103 CA 0.0047 0.0070 0.0116 1565 THR 103 HA 0.0043 0.0089 0.0123 1566 THR 103 CB 0.0036 0.0064 0.0091 1567 THR 103 HB 0.0027 0.0075 0.0082 1568 THR 103 OG1 0.0031 0.0070 0.0085 1569 THR 103 HG1 0.0022 0.0070 0.0069 1570 THR 103 CG2 0.0042 0.0037 0.0081 1571 THR 103 HG21 0.0034 0.0034 0.0062 1572 THR 103 HG22 0.0047 0.0032 0.0084 1573 THR 103 HG23 0.0051 0.0026 0.0088 1574 THR 103 C 0.0061 0.0055 0.0129 1575 THR 103 O 0.0071 0.0036 0.0133 1576 LYS 104 N -0.0017 0.0043 0.0071 1577 LYS 104 HN -0.0007 0.0025 0.0074 1578 LYS 104 CA 0.0002 0.0031 0.0063 1579 LYS 104 HA -0.0018 0.0036 0.0076 1580 LYS 104 CB 0.0028 0.0055 0.0025 1581 LYS 104 HB1 0.0010 0.0087 0.0020 1582 LYS 104 HB2 0.0038 0.0048 0.0021 1583 LYS 104 CG 0.0060 0.0050 0.0001 1584 LYS 104 HG1 0.0081 0.0020 0.0002 1585 LYS 104 HG2 0.0050 0.0052 0.0007 1586 LYS 104 CD 0.0078 0.0083 -0.0036 1587 LYS 104 HD1 0.0058 0.0113 -0.0038 1588 LYS 104 HD2 0.0084 0.0083 -0.0041 1589 LYS 104 CE 0.0113 0.0075 -0.0061 1590 LYS 104 HE1 0.0133 0.0044 -0.0058 1591 LYS 104 HE2 0.0107 0.0076 -0.0057 1592 LYS 104 NZ 0.0132 0.0104 -0.0096 1593 LYS 104 HZ1 0.0160 0.0089 -0.0110 1594 LYS 104 HZ2 0.0129 0.0114 -0.0100 1595 LYS 104 HZ3 0.0125 0.0129 -0.0106 1596 LYS 104 C 0.0023 -0.0015 0.0074 1597 LYS 104 O 0.0031 -0.0035 0.0081 1598 GLU 105 N -0.0077 -0.0063 0.0004 1599 GLU 105 HN -0.0139 -0.0094 0.0022 1600 GLU 105 CA 0.0001 -0.0065 0.0099 1601 GLU 105 HA 0.0036 -0.0046 0.0087 1602 GLU 105 CB -0.0052 -0.0124 0.0210 1603 GLU 105 HB1 -0.0088 -0.0144 0.0225 1604 GLU 105 HB2 -0.0120 -0.0148 0.0199 1605 GLU 105 CG 0.0029 -0.0127 0.0313 1606 GLU 105 HG1 0.0068 -0.0106 0.0297 1607 GLU 105 HG2 0.0094 -0.0107 0.0332 1608 GLU 105 CD -0.0029 -0.0186 0.0417 1609 GLU 105 OE1 -0.0062 -0.0207 0.0440 1610 GLU 105 OE2 -0.0041 -0.0210 0.0474 1611 GLU 105 C 0.0093 -0.0030 0.0107 1612 GLU 105 O 0.0073 -0.0034 0.0095 1613 HIS 106 N 0.0061 -0.0102 0.0062 1614 HIS 106 HN 0.0058 -0.0116 0.0087 1615 HIS 106 CA 0.0188 -0.0071 0.0055 1616 HIS 106 HA 0.0249 -0.0087 0.0107 1617 HIS 106 CB 0.0216 -0.0094 0.0107 1618 HIS 106 HB1 0.0318 -0.0071 0.0104 1619 HIS 106 HB2 0.0159 -0.0080 0.0060 1620 HIS 106 CD2 0.0106 -0.0213 0.0282 1621 HIS 106 HD2 0.0036 -0.0209 0.0247 1622 HIS 106 CG 0.0192 -0.0166 0.0229 1623 HIS 106 NE2 0.0118 -0.0272 0.0393 1624 HIS 106 HE2 0.0053 -0.0316 0.0449 1625 HIS 106 ND1 0.0261 -0.0194 0.0306 1626 HIS 106 HD1 0.0330 -0.0172 0.0291 1627 HIS 106 CE1 0.0212 -0.0258 0.0403 1628 HIS 106 HE1 0.0241 -0.0295 0.0482 1629 HIS 106 C 0.0237 0.0003 -0.0061 1630 HIS 106 O 0.0170 0.0037 -0.0149 1631 HIS 107 N 0.0168 -0.0095 -0.0068 1632 HIS 107 HN 0.0167 -0.0122 -0.0081 1633 HIS 107 CA 0.0161 -0.0093 -0.0056 1634 HIS 107 HA 0.0147 -0.0080 -0.0028 1635 HIS 107 CB 0.0147 -0.0136 -0.0061 1636 HIS 107 HB1 0.0160 -0.0153 -0.0088 1637 HIS 107 HB2 0.0128 -0.0153 -0.0042 1638 HIS 107 CD2 0.0156 -0.0143 -0.0077 1639 HIS 107 HD2 0.0173 -0.0148 -0.0106 1640 HIS 107 CG 0.0142 -0.0137 -0.0053 1641 HIS 107 NE2 0.0144 -0.0138 -0.0056 1642 HIS 107 HE2 0.0150 -0.0138 -0.0065 1643 HIS 107 ND1 0.0121 -0.0130 -0.0018 1644 HIS 107 HD1 0.0108 -0.0125 0.0004 1645 HIS 107 CE1 0.0123 -0.0131 -0.0022 1646 HIS 107 HE1 0.0110 -0.0125 0.0000 1647 HIS 107 C 0.0183 -0.0068 -0.0074 1648 HIS 107 O 0.0204 -0.0068 -0.0107 1649 ASP 108 N 0.0145 -0.0081 -0.0100 1650 ASP 108 HN 0.0125 -0.0083 -0.0067 1651 ASP 108 CA 0.0165 -0.0044 -0.0136 1652 ASP 108 HA 0.0188 -0.0062 -0.0172 1653 ASP 108 CB 0.0161 0.0014 -0.0134 1654 ASP 108 HB1 0.0139 0.0036 -0.0101 1655 ASP 108 HB2 0.0161 0.0005 -0.0133 1656 ASP 108 CG 0.0185 0.0054 -0.0178 1657 ASP 108 OD1 0.0204 0.0043 -0.0209 1658 ASP 108 OD2 0.0183 0.0099 -0.0179 1659 ASP 108 C 0.0159 -0.0039 -0.0126 1660 ASP 108 O 0.0136 -0.0055 -0.0088 1661 HIS 109 N 0.0164 -0.0058 -0.0220 1662 HIS 109 HN 0.0216 -0.0024 -0.0284 1663 HIS 109 CA 0.0145 -0.0017 -0.0181 1664 HIS 109 HA 0.0101 -0.0088 -0.0138 1665 HIS 109 CB 0.0209 0.0000 -0.0268 1666 HIS 109 HB1 0.0199 0.0057 -0.0237 1667 HIS 109 HB2 0.0261 0.0048 -0.0329 1668 HIS 109 CD2 0.0271 -0.0185 -0.0409 1669 HIS 109 HD2 0.0324 -0.0158 -0.0478 1670 HIS 109 CG 0.0215 -0.0124 -0.0312 1671 HIS 109 NE2 0.0250 -0.0298 -0.0411 1672 HIS 109 HE2 0.0281 -0.0361 -0.0472 1673 HIS 109 ND1 0.0160 -0.0200 -0.0254 1674 HIS 109 HD1 0.0111 -0.0181 -0.0178 1675 HIS 109 CE1 0.0184 -0.0303 -0.0317 1676 HIS 109 HE1 0.0151 -0.0381 -0.0292 1677 HIS 109 C 0.0112 0.0097 -0.0102 1678 HIS 109 O 0.0070 0.0117 -0.0036 1679 ASP 110 N 0.0064 0.0080 -0.0039 1680 ASP 110 HN 0.0055 0.0093 -0.0049 1681 ASP 110 CA 0.0056 0.0103 -0.0018 1682 ASP 110 HA 0.0054 0.0101 -0.0034 1683 ASP 110 CB 0.0036 0.0143 -0.0012 1684 ASP 110 HB1 0.0031 0.0160 0.0008 1685 ASP 110 HB2 0.0038 0.0144 0.0001 1686 ASP 110 CG 0.0019 0.0163 -0.0050 1687 ASP 110 OD1 0.0020 0.0148 -0.0082 1688 ASP 110 OD2 0.0003 0.0195 -0.0045 1689 ASP 110 C 0.0069 0.0094 0.0025 1690 ASP 110 O 0.0068 0.0103 0.0043 1691 THR 111 N 0.0079 0.0055 -0.0020 1692 THR 111 HN 0.0088 0.0041 -0.0040 1693 THR 111 CA 0.0061 0.0038 0.0006 1694 THR 111 HA 0.0052 0.0056 0.0025 1695 THR 111 CB 0.0060 0.0022 0.0004 1696 THR 111 HB 0.0046 0.0015 0.0027 1697 THR 111 OG1 0.0067 -0.0008 -0.0016 1698 THR 111 HG1 0.0059 -0.0025 -0.0006 1699 THR 111 CG2 0.0070 0.0048 -0.0007 1700 THR 111 HG21 0.0084 0.0055 -0.0029 1701 THR 111 HG22 0.0069 0.0036 -0.0008 1702 THR 111 HG23 0.0064 0.0071 0.0008 1703 THR 111 C 0.0053 0.0011 0.0012 1704 THR 111 O 0.0040 -0.0010 0.0031 1705 THR 112 N 0.0073 -0.0023 -0.0016 1706 THR 112 HN 0.0088 -0.0001 -0.0027 1707 THR 112 CA 0.0049 -0.0063 -0.0011 1708 THR 112 HA 0.0034 -0.0082 0.0007 1709 THR 112 CB 0.0045 -0.0088 -0.0057 1710 THR 112 HB 0.0060 -0.0069 -0.0074 1711 THR 112 OG1 0.0048 -0.0096 -0.0089 1712 THR 112 HG1 0.0065 -0.0068 -0.0097 1713 THR 112 CG2 0.0019 -0.0131 -0.0049 1714 THR 112 HG21 0.0004 -0.0149 -0.0031 1715 THR 112 HG22 0.0016 -0.0149 -0.0084 1716 THR 112 HG23 0.0015 -0.0129 -0.0028 1717 THR 112 C 0.0047 -0.0056 0.0019 1718 THR 112 O 0.0064 -0.0029 0.0011 1719 PHE 113 N 0.0059 -0.0065 -0.0001 1720 PHE 113 HN 0.0057 -0.0083 0.0012 1721 PHE 113 CA 0.0060 -0.0065 0.0017 1722 PHE 113 HA 0.0061 -0.0048 -0.0002 1723 PHE 113 CB 0.0063 -0.0047 0.0061 1724 PHE 113 HB1 0.0064 -0.0043 0.0074 1725 PHE 113 HB2 0.0061 -0.0068 0.0082 1726 PHE 113 CG 0.0068 -0.0006 0.0062 1727 PHE 113 CD1 0.0070 0.0001 0.0089 1728 PHE 113 HD1 0.0067 -0.0023 0.0109 1729 PHE 113 CE1 0.0075 0.0038 0.0090 1730 PHE 113 HE1 0.0076 0.0043 0.0110 1731 PHE 113 CZ 0.0078 0.0070 0.0063 1732 PHE 113 HZ 0.0082 0.0098 0.0063 1733 PHE 113 CD2 0.0072 0.0025 0.0036 1734 PHE 113 HD2 0.0070 0.0020 0.0015 1735 PHE 113 CE2 0.0076 0.0063 0.0036 1736 PHE 113 HE2 0.0079 0.0087 0.0015 1737 PHE 113 C 0.0054 -0.0108 0.0019 1738 PHE 113 O 0.0050 -0.0136 0.0013 1739 GLU 114 N 0.0066 -0.0154 -0.0005 1740 GLU 114 HN 0.0072 -0.0139 0.0001 1741 GLU 114 CA 0.0057 -0.0205 0.0001 1742 GLU 114 HA 0.0057 -0.0217 0.0005 1743 GLU 114 CB 0.0032 -0.0228 -0.0037 1744 GLU 114 HB1 0.0027 -0.0268 -0.0030 1745 GLU 114 HB2 0.0034 -0.0218 -0.0039 1746 GLU 114 CG 0.0013 -0.0213 -0.0081 1747 GLU 114 HG1 0.0016 -0.0174 -0.0091 1748 GLU 114 HG2 0.0013 -0.0218 -0.0079 1749 GLU 114 CD -0.0012 -0.0240 -0.0117 1750 GLU 114 OE1 -0.0029 -0.0236 -0.0152 1751 GLU 114 OE2 -0.0013 -0.0265 -0.0109 1752 GLU 114 C 0.0075 -0.0222 0.0043 1753 GLU 114 O 0.0089 -0.0197 0.0059 1754 GLU 115 N 0.0061 -0.0148 -0.0020 1755 GLU 115 HN 0.0057 -0.0151 -0.0024 1756 GLU 115 CA 0.0043 -0.0127 -0.0015 1757 GLU 115 HA 0.0032 -0.0135 -0.0024 1758 GLU 115 CB 0.0021 -0.0117 -0.0017 1759 GLU 115 HB1 0.0008 -0.0099 -0.0011 1760 GLU 115 HB2 0.0031 -0.0112 -0.0011 1761 GLU 115 CG 0.0001 -0.0135 -0.0035 1762 GLU 115 HG1 0.0012 -0.0153 -0.0042 1763 GLU 115 HG2 -0.0010 -0.0138 -0.0041 1764 GLU 115 CD -0.0019 -0.0125 -0.0037 1765 GLU 115 OE1 -0.0032 -0.0103 -0.0028 1766 GLU 115 OE2 -0.0023 -0.0138 -0.0046 1767 GLU 115 C 0.0055 -0.0106 0.0002 1768 GLU 115 O 0.0076 -0.0101 0.0013 1769 ILE 116 N 0.0059 -0.0066 0.0009 1770 ILE 116 HN 0.0041 -0.0073 0.0014 1771 ILE 116 CA 0.0063 -0.0036 0.0014 1772 ILE 116 HA 0.0084 -0.0030 0.0008 1773 ILE 116 CB 0.0054 -0.0020 0.0021 1774 ILE 116 HB 0.0034 -0.0028 0.0027 1775 ILE 116 CG2 0.0073 -0.0027 0.0012 1776 ILE 116 HG21 0.0074 -0.0049 0.0007 1777 ILE 116 HG22 0.0066 -0.0018 0.0017 1778 ILE 116 HG23 0.0094 -0.0017 0.0007 1779 ILE 116 CG1 0.0054 0.0012 0.0028 1780 ILE 116 HG11 0.0075 0.0021 0.0023 1781 ILE 116 HG12 0.0041 0.0016 0.0034 1782 ILE 116 CD 0.0044 0.0028 0.0036 1783 ILE 116 HD1 0.0023 0.0020 0.0041 1784 ILE 116 HD2 0.0044 0.0050 0.0041 1785 ILE 116 HD3 0.0057 0.0026 0.0030 1786 ILE 116 C 0.0048 -0.0029 0.0021 1787 ILE 116 O 0.0024 -0.0038 0.0028 1788 ILE 117 N 0.0037 -0.0052 0.0072 1789 ILE 117 HN 0.0072 -0.0063 0.0112 1790 ILE 117 CA -0.0027 -0.0002 0.0098 1791 ILE 117 HA -0.0067 0.0009 0.0048 1792 ILE 117 CB -0.0045 0.0026 0.0155 1793 ILE 117 HB -0.0001 0.0011 0.0203 1794 ILE 117 CG2 -0.0106 0.0078 0.0195 1795 ILE 117 HG21 -0.0119 0.0098 0.0233 1796 ILE 117 HG22 -0.0094 0.0081 0.0231 1797 ILE 117 HG23 -0.0150 0.0094 0.0150 1798 ILE 117 CG1 -0.0060 0.0024 0.0113 1799 ILE 117 HG11 -0.0083 0.0021 0.0052 1800 ILE 117 HG12 -0.0099 0.0058 0.0142 1801 ILE 117 CD 0.0001 -0.0015 0.0117 1802 ILE 117 HD1 0.0040 -0.0050 0.0086 1803 ILE 117 HD2 0.0023 -0.0012 0.0178 1804 ILE 117 HD3 -0.0016 -0.0012 0.0089 1805 ILE 117 C -0.0027 0.0007 0.0131 1806 ILE 117 O 0.0022 -0.0012 0.0175 1807 ILE 118 N 0.0025 -0.0001 -0.0006 1808 ILE 118 HN 0.0049 0.0022 0.0007 1809 ILE 118 CA 0.0071 -0.0088 -0.0133 1810 ILE 118 HA 0.0012 -0.0048 -0.0053 1811 ILE 118 CB 0.0072 -0.0010 -0.0044 1812 ILE 118 HB 0.0104 0.0010 -0.0038 1813 ILE 118 CG2 0.0087 -0.0038 -0.0084 1814 ILE 118 HG21 0.0109 -0.0026 -0.0083 1815 ILE 118 HG22 0.0108 -0.0047 -0.0106 1816 ILE 118 HG23 0.0057 -0.0060 -0.0092 1817 ILE 118 CG1 0.0051 0.0008 -0.0011 1818 ILE 118 HG11 0.0076 0.0018 -0.0013 1819 ILE 118 HG12 0.0047 0.0030 0.0017 1820 ILE 118 CD 0.0005 -0.0015 -0.0012 1821 ILE 118 HD1 -0.0008 -0.0000 0.0013 1822 ILE 118 HD2 0.0008 -0.0037 -0.0039 1823 ILE 118 HD3 -0.0021 -0.0026 -0.0009 1824 ILE 118 C 0.0065 -0.0038 -0.0072 1825 ILE 118 OT1 0.0095 -0.0018 -0.0065 1826 ILE 118 OT2 0.0054 -0.0015 -0.0039