1 ASN 3 N 0.0014 0.0020 -0.0054 2 ASN 3 HN 0.0045 0.0007 -0.0016 3 ASN 3 CA -0.0004 0.0002 -0.0074 4 ASN 3 HA -0.0028 0.0039 -0.0105 5 ASN 3 CB 0.0032 0.0005 -0.0031 6 ASN 3 HB1 0.0019 -0.0009 -0.0046 7 ASN 3 HB2 0.0058 -0.0030 0.0002 8 ASN 3 CG 0.0052 0.0078 -0.0011 9 ASN 3 OD1 0.0034 0.0120 -0.0035 10 ASN 3 ND2 0.0089 0.0093 0.0033 11 ASN 3 HD21 0.0102 0.0141 0.0046 12 ASN 3 HD22 0.0099 0.0060 0.0046 13 ASN 3 C -0.0028 -0.0068 -0.0100 14 ASN 3 O -0.0029 -0.0107 -0.0099 15 ARG 4 N -0.0003 -0.0099 -0.0081 16 ARG 4 HN -0.0003 -0.0093 -0.0066 17 ARG 4 CA 0.0009 -0.0102 -0.0091 18 ARG 4 HA 0.0006 -0.0108 -0.0107 19 ARG 4 CB 0.0001 -0.0098 -0.0080 20 ARG 4 HB1 0.0009 -0.0101 -0.0089 21 ARG 4 HB2 0.0008 -0.0091 -0.0063 22 ARG 4 CG -0.0024 -0.0100 -0.0077 23 ARG 4 HG1 -0.0027 -0.0097 -0.0069 24 ARG 4 HG2 -0.0031 -0.0096 -0.0066 25 ARG 4 CD -0.0037 -0.0109 -0.0098 26 ARG 4 HD1 -0.0035 -0.0112 -0.0105 27 ARG 4 HD2 -0.0030 -0.0113 -0.0109 28 ARG 4 NE -0.0061 -0.0109 -0.0092 29 ARG 4 HE -0.0064 -0.0104 -0.0078 30 ARG 4 CZ -0.0078 -0.0115 -0.0103 31 ARG 4 NH1 -0.0076 -0.0122 -0.0120 32 ARG 4 HH11 -0.0061 -0.0122 -0.0124 33 ARG 4 HH12 -0.0089 -0.0126 -0.0126 34 ARG 4 NH2 -0.0098 -0.0115 -0.0095 35 ARG 4 HH21 -0.0112 -0.0119 -0.0103 36 ARG 4 HH22 -0.0100 -0.0110 -0.0082 37 ARG 4 C 0.0035 -0.0098 -0.0089 38 ARG 4 O 0.0047 -0.0101 -0.0100 39 ALA 5 N 0.0004 -0.0113 -0.0038 40 ALA 5 HN 0.0004 -0.0102 -0.0034 41 ALA 5 CA 0.0007 -0.0128 -0.0030 42 ALA 5 HA 0.0007 -0.0138 -0.0038 43 ALA 5 CB 0.0007 -0.0129 -0.0028 44 ALA 5 HB1 0.0009 -0.0140 -0.0022 45 ALA 5 HB2 0.0006 -0.0129 -0.0040 46 ALA 5 HB3 0.0007 -0.0118 -0.0022 47 ALA 5 C 0.0009 -0.0128 -0.0014 48 ALA 5 O 0.0009 -0.0116 -0.0006 49 PHE 6 N 0.0036 -0.0107 -0.0003 50 PHE 6 HN 0.0038 -0.0114 -0.0007 51 PHE 6 CA 0.0041 -0.0111 0.0004 52 PHE 6 HA 0.0039 -0.0102 0.0010 53 PHE 6 CB 0.0041 -0.0119 -0.0006 54 PHE 6 HB1 0.0046 -0.0124 -0.0001 55 PHE 6 HB2 0.0041 -0.0126 -0.0014 56 PHE 6 CG 0.0032 -0.0110 -0.0013 57 PHE 6 CD1 0.0024 -0.0105 -0.0023 58 PHE 6 HD1 0.0024 -0.0108 -0.0027 59 PHE 6 CE1 0.0017 -0.0096 -0.0029 60 PHE 6 HE1 0.0011 -0.0092 -0.0037 61 PHE 6 CZ 0.0016 -0.0091 -0.0023 62 PHE 6 HZ 0.0010 -0.0083 -0.0027 63 PHE 6 CD2 0.0032 -0.0105 -0.0008 64 PHE 6 HD2 0.0038 -0.0109 0.0001 65 PHE 6 CE2 0.0024 -0.0096 -0.0013 66 PHE 6 HE2 0.0024 -0.0092 -0.0009 67 PHE 6 C 0.0050 -0.0118 0.0015 68 PHE 6 O 0.0054 -0.0125 0.0015 69 LYS 7 N 0.0042 -0.0135 0.0032 70 LYS 7 HN 0.0043 -0.0134 0.0033 71 LYS 7 CA 0.0055 -0.0136 0.0039 72 LYS 7 HA 0.0053 -0.0137 0.0038 73 LYS 7 CB 0.0062 -0.0121 0.0047 74 LYS 7 HB1 0.0055 -0.0112 0.0045 75 LYS 7 HB2 0.0071 -0.0123 0.0052 76 LYS 7 CG 0.0064 -0.0116 0.0049 77 LYS 7 HG1 0.0068 -0.0126 0.0049 78 LYS 7 HG2 0.0055 -0.0112 0.0045 79 LYS 7 CD 0.0074 -0.0105 0.0058 80 LYS 7 HD1 0.0070 -0.0094 0.0058 81 LYS 7 HD2 0.0082 -0.0110 0.0062 82 LYS 7 CE 0.0080 -0.0103 0.0062 83 LYS 7 HE1 0.0089 -0.0097 0.0068 84 LYS 7 HE2 0.0083 -0.0114 0.0061 85 LYS 7 NZ 0.0071 -0.0095 0.0058 86 LYS 7 HZ1 0.0070 -0.0084 0.0060 87 LYS 7 HZ2 0.0061 -0.0098 0.0052 88 LYS 7 HZ3 0.0074 -0.0097 0.0060 89 LYS 7 C 0.0064 -0.0149 0.0042 90 LYS 7 O 0.0063 -0.0154 0.0041 91 SER 8 N 0.0062 -0.0066 -0.0009 92 SER 8 HN 0.0060 -0.0059 -0.0012 93 SER 8 CA 0.0062 -0.0063 -0.0013 94 SER 8 HA 0.0065 -0.0071 -0.0013 95 SER 8 CB 0.0056 -0.0054 -0.0004 96 SER 8 HB1 0.0055 -0.0058 0.0007 97 SER 8 HB2 0.0056 -0.0052 -0.0007 98 SER 8 OG 0.0051 -0.0042 -0.0004 99 SER 8 HG1 0.0051 -0.0044 -0.0001 100 SER 8 C 0.0063 -0.0057 -0.0027 101 SER 8 O 0.0062 -0.0053 -0.0032 102 HIS 9 N 0.0112 -0.0029 -0.0019 103 HIS 9 HN 0.0114 -0.0029 -0.0006 104 HIS 9 CA 0.0105 -0.0028 -0.0029 105 HIS 9 HA 0.0106 -0.0027 -0.0021 106 HIS 9 CB 0.0087 -0.0022 -0.0033 107 HIS 9 HB1 0.0081 -0.0020 -0.0040 108 HIS 9 HB2 0.0085 -0.0022 -0.0039 109 HIS 9 CD2 0.0071 -0.0015 -0.0007 110 HIS 9 HD2 0.0070 -0.0015 -0.0010 111 HIS 9 CG 0.0078 -0.0018 -0.0016 112 HIS 9 NE2 0.0066 -0.0012 0.0008 113 HIS 9 HE2 0.0061 -0.0010 0.0018 114 HIS 9 ND1 0.0077 -0.0017 -0.0007 115 HIS 9 HD1 0.0081 -0.0018 -0.0011 116 HIS 9 CE1 0.0070 -0.0013 0.0007 117 HIS 9 HE1 0.0068 -0.0012 0.0018 118 HIS 9 C 0.0115 -0.0032 -0.0045 119 HIS 9 O 0.0128 -0.0036 -0.0044 120 HIS 10 N 0.0347 0.0045 0.0060 121 HIS 10 HN 0.0156 -0.0042 0.0001 122 HIS 10 CA 0.0476 0.0128 -0.0103 123 HIS 10 HA 0.0657 0.0204 0.0019 124 HIS 10 CB 0.0282 0.0039 -0.0167 125 HIS 10 HB1 0.0389 0.0105 -0.0280 126 HIS 10 HB2 0.0109 -0.0029 -0.0316 127 HIS 10 CD2 -0.0091 -0.0186 0.0183 128 HIS 10 HD2 -0.0273 -0.0264 0.0076 129 HIS 10 CG 0.0168 -0.0049 0.0106 130 HIS 10 NE2 -0.0089 -0.0214 0.0429 131 HIS 10 HE2 -0.0247 -0.0304 0.0535 132 HIS 10 ND1 0.0332 0.0010 0.0295 133 HIS 10 HD1 0.0532 0.0111 0.0288 134 HIS 10 CE1 0.0172 -0.0091 0.0486 135 HIS 10 HE1 0.0237 -0.0080 0.0666 136 HIS 10 C 0.0553 0.0202 -0.0408 137 HIS 10 O 0.0630 0.0261 -0.0594 138 GLY 11 N 0.0122 -0.0035 -0.0065 139 GLY 11 HN 0.0109 -0.0060 -0.0048 140 GLY 11 CA 0.0100 -0.0015 -0.0065 141 GLY 11 HA1 0.0117 0.0012 -0.0086 142 GLY 11 HA2 0.0102 -0.0041 -0.0053 143 GLY 11 C 0.0051 0.0006 -0.0054 144 GLY 11 O 0.0030 0.0021 -0.0051 145 HIS 12 N 0.0037 -0.0034 -0.0129 146 HIS 12 HN 0.0035 -0.0032 -0.0131 147 HIS 12 CA 0.0011 -0.0022 -0.0115 148 HIS 12 HA 0.0007 -0.0013 -0.0131 149 HIS 12 CB -0.0015 -0.0007 -0.0107 150 HIS 12 HB1 -0.0033 -0.0001 -0.0092 151 HIS 12 HB2 -0.0009 -0.0016 -0.0094 152 HIS 12 CD2 -0.0053 0.0030 -0.0139 153 HIS 12 HD2 -0.0072 0.0037 -0.0123 154 HIS 12 CG -0.0026 0.0010 -0.0136 155 HIS 12 NE2 -0.0051 0.0040 -0.0170 156 HIS 12 HE2 -0.0067 0.0055 -0.0180 157 HIS 12 ND1 -0.0007 0.0008 -0.0163 158 HIS 12 HD1 0.0014 -0.0004 -0.0167 159 HIS 12 CE1 -0.0024 0.0027 -0.0183 160 HIS 12 HE1 -0.0016 0.0031 -0.0208 161 HIS 12 C 0.0014 -0.0035 -0.0083 162 HIS 12 O 0.0028 -0.0052 -0.0066 163 PHE 13 N -0.0047 -0.0049 -0.0032 164 PHE 13 HN -0.0039 -0.0046 -0.0022 165 PHE 13 CA -0.0053 -0.0052 -0.0030 166 PHE 13 HA -0.0065 -0.0057 -0.0037 167 PHE 13 CB -0.0055 -0.0055 -0.0010 168 PHE 13 HB1 -0.0062 -0.0059 -0.0009 169 PHE 13 HB2 -0.0043 -0.0050 -0.0004 170 PHE 13 CG -0.0064 -0.0060 -0.0001 171 PHE 13 CD1 -0.0079 -0.0067 -0.0006 172 PHE 13 HD1 -0.0085 -0.0069 -0.0017 173 PHE 13 CE1 -0.0087 -0.0072 0.0002 174 PHE 13 HE1 -0.0099 -0.0077 -0.0002 175 PHE 13 CZ -0.0079 -0.0069 0.0016 176 PHE 13 HZ -0.0085 -0.0073 0.0023 177 PHE 13 CD2 -0.0056 -0.0058 0.0013 178 PHE 13 HD2 -0.0044 -0.0052 0.0017 179 PHE 13 CE2 -0.0064 -0.0062 0.0022 180 PHE 13 HE2 -0.0057 -0.0060 0.0032 181 PHE 13 C -0.0043 -0.0046 -0.0039 182 PHE 13 O -0.0029 -0.0039 -0.0039 183 LEU 14 N 0.0057 -0.0047 -0.0034 184 LEU 14 HN 0.0068 -0.0049 -0.0034 185 LEU 14 CA 0.0056 -0.0040 -0.0021 186 LEU 14 HA 0.0042 -0.0037 -0.0019 187 LEU 14 CB 0.0065 -0.0033 -0.0005 188 LEU 14 HB1 0.0063 -0.0027 0.0005 189 LEU 14 HB2 0.0079 -0.0036 -0.0006 190 LEU 14 CG 0.0057 -0.0029 -0.0000 191 LEU 14 HG 0.0061 -0.0035 -0.0009 192 LEU 14 CD1 0.0066 -0.0022 0.0016 193 LEU 14 HD11 0.0063 -0.0017 0.0025 194 LEU 14 HD12 0.0061 -0.0020 0.0019 195 LEU 14 HD13 0.0081 -0.0025 0.0015 196 LEU 14 CD2 0.0037 -0.0026 0.0000 197 LEU 14 HD21 0.0030 -0.0031 -0.0011 198 LEU 14 HD22 0.0032 -0.0022 0.0005 199 LEU 14 HD23 0.0033 -0.0020 0.0009 200 LEU 14 C 0.0063 -0.0043 -0.0025 201 LEU 14 O 0.0077 -0.0049 -0.0030 202 SER 15 N 0.0056 0.0011 -0.0101 203 SER 15 HN 0.0049 0.0010 -0.0097 204 SER 15 CA 0.0067 0.0003 -0.0109 205 SER 15 HA 0.0075 0.0007 -0.0112 206 SER 15 CB 0.0063 -0.0013 -0.0114 207 SER 15 HB1 0.0070 -0.0019 -0.0120 208 SER 15 HB2 0.0053 -0.0017 -0.0110 209 SER 15 OG 0.0062 -0.0015 -0.0114 210 SER 15 HG1 0.0059 -0.0007 -0.0109 211 SER 15 C 0.0071 0.0004 -0.0111 212 SER 15 O 0.0063 0.0006 -0.0106 213 ALA 16 N 0.0119 0.0018 -0.0174 214 ALA 16 HN 0.0143 0.0015 -0.0192 215 ALA 16 CA 0.0100 0.0022 -0.0153 216 ALA 16 HA 0.0078 0.0025 -0.0132 217 ALA 16 CB 0.0134 0.0026 -0.0130 218 ALA 16 HB1 0.0149 0.0030 -0.0109 219 ALA 16 HB2 0.0157 0.0023 -0.0151 220 ALA 16 HB3 0.0121 0.0029 -0.0112 221 ALA 16 C 0.0078 0.0017 -0.0182 222 ALA 16 O 0.0094 0.0011 -0.0213 223 GLU 17 N 0.0004 0.0044 -0.0246 224 GLU 17 HN -0.0027 0.0054 -0.0171 225 GLU 17 CA -0.0062 0.0014 -0.0318 226 GLU 17 HA -0.0013 0.0011 -0.0384 227 GLU 17 CB -0.0154 -0.0016 -0.0362 228 GLU 17 HB1 -0.0217 -0.0036 -0.0391 229 GLU 17 HB2 -0.0190 -0.0010 -0.0296 230 GLU 17 CG -0.0124 -0.0030 -0.0458 231 GLU 17 HG1 -0.0063 -0.0012 -0.0436 232 GLU 17 HG2 -0.0091 -0.0037 -0.0527 233 GLU 17 CD -0.0223 -0.0059 -0.0492 234 GLU 17 OE1 -0.0217 -0.0064 -0.0520 235 GLU 17 OE2 -0.0313 -0.0076 -0.0479 236 GLU 17 C -0.0118 0.0014 -0.0261 237 GLU 17 O -0.0171 0.0020 -0.0178 238 GLY 18 N -0.0167 0.0048 -0.0360 239 GLY 18 HN -0.0118 0.0029 -0.0425 240 GLY 18 CA -0.0234 0.0072 -0.0280 241 GLY 18 HA1 -0.0331 0.0084 -0.0297 242 GLY 18 HA2 -0.0207 0.0064 -0.0301 243 GLY 18 C -0.0207 0.0090 -0.0145 244 GLY 18 O -0.0110 0.0083 -0.0097 245 GLU 19 N -0.0195 0.0132 -0.0199 246 GLU 19 HN -0.0259 0.0169 -0.0257 247 GLU 19 CA -0.0189 0.0103 -0.0064 248 GLU 19 HA -0.0135 0.0069 0.0000 249 GLU 19 CB -0.0328 0.0146 0.0005 250 GLU 19 HB1 -0.0322 0.0123 0.0108 251 GLU 19 HB2 -0.0384 0.0181 -0.0058 252 GLU 19 CG -0.0404 0.0172 0.0029 253 GLU 19 HG1 -0.0417 0.0197 -0.0068 254 GLU 19 HG2 -0.0352 0.0137 0.0098 255 GLU 19 CD -0.0539 0.0213 0.0100 256 GLU 19 OE1 -0.0551 0.0199 0.0195 257 GLU 19 OE2 -0.0631 0.0258 0.0062 258 GLU 19 C -0.0124 0.0078 -0.0067 259 GLU 19 O -0.0129 0.0059 0.0037 260 ALA 20 N -0.0082 0.0063 -0.0042 261 ALA 20 HN -0.0078 0.0072 -0.0083 262 ALA 20 CA -0.0060 0.0060 -0.0023 263 ALA 20 HA -0.0048 0.0051 0.0020 264 ALA 20 CB -0.0106 0.0060 -0.0028 265 ALA 20 HB1 -0.0091 0.0056 -0.0011 266 ALA 20 HB2 -0.0144 0.0054 -0.0005 267 ALA 20 HB3 -0.0118 0.0069 -0.0073 268 ALA 20 C -0.0007 0.0067 -0.0053 269 ALA 20 O 0.0011 0.0076 -0.0095 270 VAL 21 N 0.0024 0.0049 0.0005 271 VAL 21 HN 0.0012 0.0053 0.0025 272 VAL 21 CA 0.0045 0.0047 -0.0009 273 VAL 21 HA 0.0056 0.0042 -0.0032 274 VAL 21 CB 0.0073 0.0051 0.0014 275 VAL 21 HB 0.0061 0.0055 0.0036 276 VAL 21 CG1 0.0097 0.0048 -0.0002 277 VAL 21 HG11 0.0084 0.0046 -0.0011 278 VAL 21 HG12 0.0109 0.0044 -0.0024 279 VAL 21 HG13 0.0117 0.0051 0.0015 280 VAL 21 CG2 0.0092 0.0053 0.0026 281 VAL 21 HG21 0.0113 0.0056 0.0042 282 VAL 21 HG22 0.0102 0.0049 0.0005 283 VAL 21 HG23 0.0076 0.0056 0.0041 284 VAL 21 C 0.0023 0.0045 -0.0017 285 VAL 21 O 0.0002 0.0049 0.0003 286 LYS 22 N 0.0009 0.0015 -0.0055 287 LYS 22 HN 0.0039 0.0025 -0.0090 288 LYS 22 CA -0.0024 -0.0000 -0.0049 289 LYS 22 HA -0.0045 -0.0004 -0.0003 290 LYS 22 CB -0.0067 -0.0029 -0.0099 291 LYS 22 HB1 -0.0092 -0.0041 -0.0094 292 LYS 22 HB2 -0.0096 -0.0042 -0.0090 293 LYS 22 CG -0.0041 -0.0025 -0.0165 294 LYS 22 HG1 -0.0035 -0.0024 -0.0178 295 LYS 22 HG2 0.0002 -0.0005 -0.0167 296 LYS 22 CD -0.0073 -0.0048 -0.0214 297 LYS 22 HD1 -0.0045 -0.0041 -0.0257 298 LYS 22 HD2 -0.0078 -0.0049 -0.0201 299 LYS 22 CE -0.0130 -0.0078 -0.0227 300 LYS 22 HE1 -0.0161 -0.0088 -0.0188 301 LYS 22 HE2 -0.0125 -0.0077 -0.0236 302 LYS 22 NZ -0.0151 -0.0097 -0.0283 303 LYS 22 HZ1 -0.0186 -0.0116 -0.0300 304 LYS 22 HZ2 -0.0158 -0.0100 -0.0279 305 LYS 22 HZ3 -0.0118 -0.0086 -0.0318 306 LYS 22 C 0.0015 0.0018 -0.0054 307 LYS 22 O 0.0062 0.0038 -0.0080 308 THR 23 N -0.0025 -0.0015 -0.0058 309 THR 23 HN -0.0042 -0.0015 -0.0050 310 THR 23 CA -0.0017 -0.0018 -0.0069 311 THR 23 HA 0.0003 -0.0016 -0.0069 312 THR 23 CB -0.0026 -0.0015 -0.0057 313 THR 23 HB -0.0046 -0.0017 -0.0057 314 THR 23 OG1 -0.0019 -0.0007 -0.0034 315 THR 23 HG1 -0.0027 -0.0006 -0.0027 316 THR 23 CG2 -0.0016 -0.0017 -0.0068 317 THR 23 HG21 -0.0021 -0.0015 -0.0058 318 THR 23 HG22 -0.0023 -0.0024 -0.0086 319 THR 23 HG23 0.0004 -0.0016 -0.0069 320 THR 23 C -0.0025 -0.0026 -0.0094 321 THR 23 O -0.0045 -0.0030 -0.0099 322 HIS 24 N -0.0057 -0.0021 -0.0117 323 HIS 24 HN -0.0068 -0.0034 -0.0119 324 HIS 24 CA -0.0055 0.0003 -0.0099 325 HIS 24 HA -0.0040 0.0016 -0.0100 326 HIS 24 CB -0.0079 0.0008 -0.0079 327 HIS 24 HB1 -0.0096 -0.0006 -0.0078 328 HIS 24 HB2 -0.0081 0.0006 -0.0079 329 HIS 24 CD2 -0.0099 0.0039 -0.0040 330 HIS 24 HD2 -0.0118 0.0028 -0.0035 331 HIS 24 CG -0.0080 0.0032 -0.0059 332 HIS 24 NE2 -0.0090 0.0063 -0.0028 333 HIS 24 HE2 -0.0100 0.0074 -0.0012 334 HIS 24 ND1 -0.0058 0.0052 -0.0059 335 HIS 24 HD1 -0.0041 0.0053 -0.0071 336 HIS 24 CE1 -0.0065 0.0071 -0.0039 337 HIS 24 HE1 -0.0053 0.0089 -0.0033 338 HIS 24 C -0.0051 0.0007 -0.0099 339 HIS 24 O -0.0062 -0.0008 -0.0103 340 HIS 25 N -0.0083 0.0022 -0.0094 341 HIS 25 HN -0.0063 0.0033 -0.0088 342 HIS 25 CA -0.0084 0.0029 -0.0081 343 HIS 25 HA -0.0090 0.0017 -0.0099 344 HIS 25 CB -0.0049 0.0048 -0.0071 345 HIS 25 HB1 -0.0029 0.0043 -0.0094 346 HIS 25 HB2 -0.0051 0.0054 -0.0060 347 HIS 25 CD2 -0.0037 0.0083 -0.0018 348 HIS 25 HD2 -0.0050 0.0089 0.0000 349 HIS 25 CG -0.0036 0.0065 -0.0050 350 HIS 25 NE2 -0.0020 0.0094 -0.0011 351 HIS 25 HE2 -0.0017 0.0108 0.0011 352 HIS 25 ND1 -0.0018 0.0064 -0.0064 353 HIS 25 HD1 -0.0012 0.0053 -0.0087 354 HIS 25 CE1 -0.0008 0.0082 -0.0039 355 HIS 25 HE1 0.0006 0.0086 -0.0041 356 HIS 25 C -0.0112 0.0035 -0.0052 357 HIS 25 O -0.0125 0.0034 -0.0045 358 GLY 26 N -0.0126 0.0038 -0.0020 359 GLY 26 HN -0.0085 0.0042 -0.0041 360 GLY 26 CA -0.0149 0.0027 0.0018 361 GLY 26 HA1 -0.0196 0.0035 0.0005 362 GLY 26 HA2 -0.0117 0.0026 0.0012 363 GLY 26 C -0.0152 0.0005 0.0084 364 GLY 26 O -0.0118 -0.0006 0.0106 365 HIS 27 N -0.0236 0.0052 0.0192 366 HIS 27 HN -0.0250 0.0131 0.0133 367 HIS 27 CA -0.0245 0.0037 0.0251 368 HIS 27 HA -0.0285 0.0133 0.0266 369 HIS 27 CB -0.0249 -0.0043 0.0385 370 HIS 27 HB1 -0.0258 -0.0043 0.0421 371 HIS 27 HB2 -0.0210 -0.0143 0.0377 372 HIS 27 CD2 -0.0295 -0.0036 0.0556 373 HIS 27 HD2 -0.0260 -0.0127 0.0552 374 HIS 27 CG -0.0296 0.0014 0.0486 375 HIS 27 NE2 -0.0349 0.0058 0.0632 376 HIS 27 HE2 -0.0363 0.0056 0.0690 377 HIS 27 ND1 -0.0350 0.0135 0.0519 378 HIS 27 HD1 -0.0362 0.0193 0.0484 379 HIS 27 CE1 -0.0381 0.0159 0.0606 380 HIS 27 HE1 -0.0426 0.0249 0.0652 381 HIS 27 C -0.0200 -0.0013 0.0146 382 HIS 27 O -0.0152 -0.0099 0.0084 383 HIS 28 N -0.0170 -0.0056 0.0059 384 HIS 28 HN -0.0124 -0.0128 0.0005 385 HIS 28 CA -0.0095 -0.0079 0.0101 386 HIS 28 HA -0.0001 -0.0175 0.0060 387 HIS 28 CB -0.0187 -0.0075 0.0017 388 HIS 28 HB1 -0.0206 -0.0149 -0.0103 389 HIS 28 HB2 -0.0117 -0.0098 0.0053 390 HIS 28 CD2 -0.0477 0.0059 -0.0081 391 HIS 28 HD2 -0.0505 -0.0008 -0.0200 392 HIS 28 CG -0.0340 0.0043 0.0030 393 HIS 28 NE2 -0.0589 0.0179 -0.0025 394 HIS 28 HE2 -0.0699 0.0215 -0.0083 395 HIS 28 ND1 -0.0368 0.0157 0.0159 396 HIS 28 HD1 -0.0292 0.0178 0.0261 397 HIS 28 CE1 -0.0518 0.0234 0.0120 398 HIS 28 HE1 -0.0572 0.0332 0.0201 399 HIS 28 C -0.0017 -0.0013 0.0266 400 HIS 28 O 0.0095 -0.0064 0.0305 401 ASP 29 N -0.0079 -0.0003 0.0175 402 ASP 29 HN -0.0108 0.0017 0.0154 403 ASP 29 CA -0.0077 0.0006 0.0267 404 ASP 29 HA -0.0094 0.0019 0.0276 405 ASP 29 CB -0.0129 0.0049 0.0308 406 ASP 29 HB1 -0.0129 0.0056 0.0379 407 ASP 29 HB2 -0.0116 0.0038 0.0295 408 ASP 29 CG -0.0202 0.0100 0.0271 409 ASP 29 OD1 -0.0246 0.0135 0.0282 410 ASP 29 OD2 -0.0215 0.0106 0.0234 411 ASP 29 C -0.0004 -0.0045 0.0310 412 ASP 29 O 0.0036 -0.0078 0.0290 413 HIS 30 N 0.0146 -0.0052 0.0359 414 HIS 30 HN -0.0069 -0.0026 0.0320 415 HIS 30 CA 0.0306 -0.0125 0.0472 416 HIS 30 HA 0.0542 -0.0098 0.0428 417 HIS 30 CB 0.0190 -0.0063 0.0377 418 HIS 30 HB1 0.0324 -0.0116 0.0459 419 HIS 30 HB2 -0.0049 -0.0097 0.0432 420 HIS 30 CD2 -0.0015 0.0229 -0.0079 421 HIS 30 HD2 -0.0255 0.0214 -0.0054 422 HIS 30 CG 0.0208 0.0117 0.0094 423 HIS 30 NE2 0.0128 0.0376 -0.0311 424 HIS 30 HE2 0.0028 0.0484 -0.0479 425 HIS 30 ND1 0.0485 0.0189 -0.0022 426 HIS 30 HD1 0.0687 0.0135 0.0061 427 HIS 30 CE1 0.0427 0.0344 -0.0264 428 HIS 30 HE1 0.0598 0.0439 -0.0414 429 HIS 30 C 0.0267 -0.0307 0.0758 430 HIS 30 O 0.0031 -0.0371 0.0861 431 HIS 31 N 0.0098 -0.0157 0.0121 432 HIS 31 HN 0.0075 -0.0169 0.0132 433 HIS 31 CA 0.0091 -0.0130 0.0087 434 HIS 31 HA 0.0104 -0.0124 0.0082 435 HIS 31 CB 0.0046 -0.0130 0.0077 436 HIS 31 HB1 0.0039 -0.0110 0.0050 437 HIS 31 HB2 0.0031 -0.0139 0.0085 438 HIS 31 CD2 0.0010 -0.0169 0.0118 439 HIS 31 HD2 0.0009 -0.0186 0.0138 440 HIS 31 CG 0.0026 -0.0144 0.0090 441 HIS 31 NE2 -0.0007 -0.0171 0.0116 442 HIS 31 HE2 -0.0020 -0.0187 0.0133 443 HIS 31 ND1 0.0018 -0.0130 0.0071 444 HIS 31 HD1 0.0027 -0.0110 0.0049 445 HIS 31 CE1 -0.0001 -0.0147 0.0087 446 HIS 31 HE1 -0.0012 -0.0142 0.0079 447 HIS 31 C 0.0109 -0.0110 0.0066 448 HIS 31 O 0.0115 -0.0115 0.0074 449 THR 32 N 0.0091 -0.0142 -0.0058 450 THR 32 HN 0.0081 -0.0139 -0.0062 451 THR 32 CA 0.0100 -0.0120 -0.0071 452 THR 32 HA 0.0120 -0.0124 -0.0065 453 THR 32 CB 0.0106 -0.0097 -0.0085 454 THR 32 HB 0.0085 -0.0093 -0.0091 455 THR 32 OG1 0.0127 -0.0101 -0.0079 456 THR 32 HG1 0.0125 -0.0118 -0.0068 457 THR 32 CG2 0.0118 -0.0074 -0.0097 458 THR 32 HG21 0.0123 -0.0058 -0.0107 459 THR 32 HG22 0.0102 -0.0069 -0.0103 460 THR 32 HG23 0.0139 -0.0078 -0.0091 461 THR 32 C 0.0079 -0.0116 -0.0077 462 THR 32 O 0.0053 -0.0114 -0.0084 463 HIS 33 N 0.0073 -0.0125 -0.0070 464 HIS 33 HN 0.0080 -0.0129 -0.0076 465 HIS 33 CA 0.0056 -0.0112 -0.0076 466 HIS 33 HA 0.0049 -0.0109 -0.0066 467 HIS 33 CB 0.0045 -0.0104 -0.0075 468 HIS 33 HB1 0.0033 -0.0093 -0.0081 469 HIS 33 HB2 0.0052 -0.0107 -0.0085 470 HIS 33 CD2 0.0045 -0.0112 -0.0035 471 HIS 33 HD2 0.0051 -0.0118 -0.0031 472 HIS 33 CG 0.0041 -0.0106 -0.0053 473 HIS 33 NE2 0.0039 -0.0111 -0.0020 474 HIS 33 HE2 0.0040 -0.0115 -0.0005 475 HIS 33 ND1 0.0033 -0.0100 -0.0051 476 HIS 33 HD1 0.0028 -0.0094 -0.0062 477 HIS 33 CE1 0.0032 -0.0104 -0.0031 478 HIS 33 HE1 0.0026 -0.0101 -0.0023 479 HIS 33 C 0.0059 -0.0109 -0.0098 480 HIS 33 O 0.0068 -0.0113 -0.0112 481 PHE 34 N 0.0058 -0.0070 -0.0032 482 PHE 34 HN 0.0048 -0.0074 -0.0035 483 PHE 34 CA 0.0061 -0.0058 -0.0043 484 PHE 34 HA 0.0073 -0.0052 -0.0040 485 PHE 34 CB 0.0054 -0.0050 -0.0057 486 PHE 34 HB1 0.0055 -0.0042 -0.0065 487 PHE 34 HB2 0.0042 -0.0056 -0.0060 488 PHE 34 CG 0.0063 -0.0044 -0.0057 489 PHE 34 CD1 0.0078 -0.0034 -0.0057 490 PHE 34 HD1 0.0083 -0.0031 -0.0057 491 PHE 34 CE1 0.0085 -0.0028 -0.0057 492 PHE 34 HE1 0.0097 -0.0021 -0.0058 493 PHE 34 CZ 0.0079 -0.0033 -0.0058 494 PHE 34 HZ 0.0084 -0.0028 -0.0058 495 PHE 34 CD2 0.0056 -0.0049 -0.0057 496 PHE 34 HD2 0.0044 -0.0056 -0.0057 497 PHE 34 CE2 0.0064 -0.0043 -0.0058 498 PHE 34 HE2 0.0058 -0.0046 -0.0058 499 PHE 34 C 0.0054 -0.0062 -0.0044 500 PHE 34 O 0.0040 -0.0069 -0.0046 501 HIS 35 N 0.0053 -0.0028 -0.0057 502 HIS 35 HN 0.0051 -0.0027 -0.0057 503 HIS 35 CA 0.0081 -0.0015 -0.0053 504 HIS 35 HA 0.0082 -0.0019 -0.0055 505 HIS 35 CB 0.0112 -0.0026 -0.0061 506 HIS 35 HB1 0.0134 -0.0013 -0.0057 507 HIS 35 HB2 0.0110 -0.0025 -0.0060 508 HIS 35 CD2 0.0104 -0.0082 -0.0090 509 HIS 35 HD2 0.0089 -0.0084 -0.0090 510 HIS 35 CG 0.0116 -0.0057 -0.0078 511 HIS 35 NE2 0.0115 -0.0105 -0.0104 512 HIS 35 HE2 0.0110 -0.0126 -0.0114 513 HIS 35 ND1 0.0135 -0.0066 -0.0085 514 HIS 35 HD1 0.0148 -0.0053 -0.0079 515 HIS 35 CE1 0.0134 -0.0095 -0.0100 516 HIS 35 HE1 0.0147 -0.0108 -0.0108 517 HIS 35 C 0.0080 0.0017 -0.0036 518 HIS 35 O 0.0077 0.0029 -0.0029 519 VAL 36 N 0.0007 0.0008 -0.0017 520 VAL 36 HN 0.0011 0.0007 -0.0020 521 VAL 36 CA 0.0008 0.0026 -0.0003 522 VAL 36 HA -0.0003 0.0025 0.0002 523 VAL 36 CB 0.0003 0.0035 0.0007 524 VAL 36 HB 0.0014 0.0036 0.0002 525 VAL 36 CG1 0.0005 0.0054 0.0022 526 VAL 36 HG11 0.0020 0.0061 0.0021 527 VAL 36 HG12 -0.0005 0.0054 0.0027 528 VAL 36 HG13 -0.0000 0.0061 0.0030 529 VAL 36 CG2 -0.0018 0.0027 0.0010 530 VAL 36 HG21 -0.0029 0.0027 0.0015 531 VAL 36 HG22 -0.0019 0.0013 -0.0000 532 VAL 36 HG23 -0.0021 0.0034 0.0017 533 VAL 36 C 0.0028 0.0034 -0.0005 534 VAL 36 O 0.0043 0.0035 -0.0012 535 GLU 37 N 0.0011 0.0041 0.0004 536 GLU 37 HN 0.0005 0.0035 0.0009 537 GLU 37 CA 0.0014 0.0044 -0.0001 538 GLU 37 HA 0.0020 0.0049 -0.0006 539 GLU 37 CB 0.0008 0.0036 -0.0010 540 GLU 37 HB1 0.0002 0.0030 -0.0005 541 GLU 37 HB2 0.0006 0.0034 -0.0016 542 GLU 37 CG 0.0011 0.0039 -0.0018 543 GLU 37 HG1 0.0017 0.0045 -0.0022 544 GLU 37 HG2 0.0012 0.0041 -0.0012 545 GLU 37 CD 0.0005 0.0032 -0.0027 546 GLU 37 OE1 -0.0001 0.0025 -0.0024 547 GLU 37 OE2 0.0007 0.0033 -0.0038 548 GLU 37 C 0.0015 0.0046 0.0009 549 GLU 37 O 0.0010 0.0042 0.0018 550 ASN 38 N -0.0011 0.0062 -0.0024 551 ASN 38 HN -0.0003 0.0098 -0.0066 552 ASN 38 CA 0.0003 0.0030 0.0034 553 ASN 38 HA 0.0017 0.0008 0.0081 554 ASN 38 CB 0.0065 0.0073 0.0045 555 ASN 38 HB1 0.0111 0.0094 0.0068 556 ASN 38 HB2 0.0069 0.0049 0.0083 557 ASN 38 CG 0.0063 0.0121 -0.0023 558 ASN 38 OD1 0.0021 0.0110 -0.0054 559 ASN 38 ND2 0.0112 0.0178 -0.0046 560 ASN 38 HD21 0.0112 0.0209 -0.0090 561 ASN 38 HD22 0.0148 0.0188 -0.0019 562 ASN 38 C -0.0059 -0.0019 0.0033 563 ASN 38 O -0.0104 -0.0017 -0.0021 564 HIS 39 N -0.0039 -0.0038 0.0063 565 HIS 39 HN -0.0030 -0.0040 0.0065 566 HIS 39 CA -0.0056 -0.0041 0.0077 567 HIS 39 HA -0.0059 -0.0042 0.0080 568 HIS 39 CB -0.0075 -0.0035 0.0071 569 HIS 39 HB1 -0.0086 -0.0039 0.0083 570 HIS 39 HB2 -0.0071 -0.0033 0.0066 571 HIS 39 CD2 -0.0085 -0.0019 0.0039 572 HIS 39 HD2 -0.0075 -0.0016 0.0029 573 HIS 39 CG -0.0085 -0.0027 0.0057 574 HIS 39 NE2 -0.0098 -0.0014 0.0033 575 HIS 39 HE2 -0.0100 -0.0007 0.0019 576 HIS 39 ND1 -0.0100 -0.0027 0.0063 577 HIS 39 HD1 -0.0103 -0.0032 0.0076 578 HIS 39 CE1 -0.0107 -0.0019 0.0048 579 HIS 39 HE1 -0.0118 -0.0017 0.0048 580 HIS 39 C -0.0049 -0.0050 0.0095 581 HIS 39 O -0.0060 -0.0053 0.0105 582 GLY 40 N 0.0010 -0.0317 0.0343 583 GLY 40 HN 0.0072 -0.0351 0.0295 584 GLY 40 CA 0.0056 -0.0376 0.0424 585 GLY 40 HA1 -0.0018 -0.0343 0.0508 586 GLY 40 HA2 0.0133 -0.0450 0.0472 587 GLY 40 C 0.0106 -0.0384 0.0319 588 GLY 40 O 0.0167 -0.0396 0.0195 589 GLY 41 N -0.0144 -0.0085 0.0045 590 GLY 41 HN -0.0109 -0.0039 0.0039 591 GLY 41 CA -0.0196 -0.0084 -0.0036 592 GLY 41 HA1 -0.0190 -0.0033 -0.0091 593 GLY 41 HA2 -0.0250 -0.0143 -0.0044 594 GLY 41 C -0.0189 -0.0072 -0.0040 595 GLY 41 O -0.0240 -0.0093 -0.0092 596 LYS 42 N -0.0186 0.0005 -0.0038 597 LYS 42 HN -0.0182 0.0004 -0.0042 598 LYS 42 CA -0.0179 -0.0000 -0.0026 599 LYS 42 HA -0.0185 0.0001 -0.0019 600 LYS 42 CB -0.0165 -0.0004 -0.0030 601 LYS 42 HB1 -0.0159 -0.0008 -0.0021 602 LYS 42 HB2 -0.0160 -0.0004 -0.0039 603 LYS 42 CG -0.0167 -0.0002 -0.0035 604 LYS 42 HG1 -0.0174 0.0002 -0.0044 605 LYS 42 HG2 -0.0173 -0.0002 -0.0026 606 LYS 42 CD -0.0154 -0.0006 -0.0038 607 LYS 42 HD1 -0.0156 -0.0005 -0.0039 608 LYS 42 HD2 -0.0148 -0.0010 -0.0029 609 LYS 42 CE -0.0145 -0.0006 -0.0051 610 LYS 42 HE1 -0.0135 -0.0010 -0.0052 611 LYS 42 HE2 -0.0142 -0.0008 -0.0051 612 LYS 42 NZ -0.0152 -0.0001 -0.0064 613 LYS 42 HZ1 -0.0145 -0.0002 -0.0073 614 LYS 42 HZ2 -0.0155 -0.0000 -0.0065 615 LYS 42 HZ3 -0.0160 0.0002 -0.0064 616 LYS 42 C -0.0177 -0.0003 -0.0015 617 LYS 42 O -0.0175 -0.0003 -0.0020 618 VAL 43 N -0.0085 0.0026 0.0052 619 VAL 43 HN -0.0084 0.0026 0.0053 620 VAL 43 CA -0.0086 0.0028 0.0049 621 VAL 43 HA -0.0086 0.0028 0.0050 622 VAL 43 CB -0.0083 0.0030 0.0047 623 VAL 43 HB -0.0084 0.0031 0.0045 624 VAL 43 CG1 -0.0079 0.0029 0.0048 625 VAL 43 HG11 -0.0077 0.0031 0.0046 626 VAL 43 HG12 -0.0079 0.0029 0.0049 627 VAL 43 HG13 -0.0078 0.0028 0.0050 628 VAL 43 CG2 -0.0083 0.0031 0.0046 629 VAL 43 HG21 -0.0080 0.0032 0.0044 630 VAL 43 HG22 -0.0082 0.0029 0.0048 631 VAL 43 HG23 -0.0085 0.0031 0.0045 632 VAL 43 C -0.0090 0.0029 0.0048 633 VAL 43 O -0.0091 0.0028 0.0049 634 ALA 44 N -0.0037 0.0042 0.0045 635 ALA 44 HN -0.0039 0.0043 0.0045 636 ALA 44 CA -0.0035 0.0040 0.0046 637 ALA 44 HA -0.0033 0.0038 0.0046 638 ALA 44 CB -0.0035 0.0039 0.0043 639 ALA 44 HB1 -0.0036 0.0038 0.0041 640 ALA 44 HB2 -0.0037 0.0041 0.0043 641 ALA 44 HB3 -0.0034 0.0038 0.0044 642 ALA 44 C -0.0034 0.0042 0.0049 643 ALA 44 O -0.0037 0.0044 0.0050 644 LEU 45 N 0.0016 0.0056 0.0070 645 LEU 45 HN 0.0017 0.0056 0.0069 646 LEU 45 CA 0.0010 0.0043 0.0077 647 LEU 45 HA 0.0007 0.0045 0.0078 648 LEU 45 CB -0.0002 0.0040 0.0085 649 LEU 45 HB1 -0.0006 0.0030 0.0090 650 LEU 45 HB2 0.0001 0.0038 0.0084 651 LEU 45 CG -0.0014 0.0053 0.0089 652 LEU 45 HG -0.0011 0.0063 0.0084 653 LEU 45 CD1 -0.0026 0.0049 0.0096 654 LEU 45 HD11 -0.0034 0.0058 0.0099 655 LEU 45 HD12 -0.0022 0.0047 0.0094 656 LEU 45 HD13 -0.0030 0.0038 0.0101 657 LEU 45 CD2 -0.0020 0.0056 0.0091 658 LEU 45 HD21 -0.0019 0.0045 0.0093 659 LEU 45 HD22 -0.0014 0.0064 0.0086 660 LEU 45 HD23 -0.0031 0.0060 0.0096 661 LEU 45 C 0.0021 0.0030 0.0074 662 LEU 45 O 0.0026 0.0026 0.0072 663 LYS 46 N 0.0092 0.0021 0.0021 664 LYS 46 HN 0.0096 0.0021 0.0021 665 LYS 46 CA 0.0091 0.0016 0.0016 666 LYS 46 HA 0.0086 0.0016 0.0017 667 LYS 46 CB 0.0099 0.0017 0.0015 668 LYS 46 HB1 0.0099 0.0021 0.0020 669 LYS 46 HB2 0.0097 0.0015 0.0012 670 LYS 46 CG 0.0107 0.0017 0.0012 671 LYS 46 HG1 0.0107 0.0013 0.0007 672 LYS 46 HG2 0.0109 0.0020 0.0015 673 LYS 46 CD 0.0114 0.0019 0.0012 674 LYS 46 HD1 0.0114 0.0023 0.0018 675 LYS 46 HD2 0.0112 0.0017 0.0010 676 LYS 46 CE 0.0123 0.0018 0.0009 677 LYS 46 HE1 0.0122 0.0014 0.0003 678 LYS 46 HE2 0.0125 0.0020 0.0011 679 LYS 46 NZ 0.0129 0.0020 0.0010 680 LYS 46 HZ1 0.0130 0.0024 0.0015 681 LYS 46 HZ2 0.0134 0.0019 0.0006 682 LYS 46 HZ3 0.0126 0.0020 0.0010 683 LYS 46 C 0.0091 0.0011 0.0010 684 LYS 46 O 0.0093 0.0011 0.0008 685 THR 47 N 0.0144 -0.0009 -0.0025 686 THR 47 HN 0.0141 -0.0002 -0.0020 687 THR 47 CA 0.0141 -0.0026 -0.0041 688 THR 47 HA 0.0134 -0.0029 -0.0045 689 THR 47 CB 0.0126 -0.0031 -0.0048 690 THR 47 HB 0.0122 -0.0043 -0.0060 691 THR 47 OG1 0.0134 -0.0029 -0.0045 692 THR 47 HG1 0.0123 -0.0031 -0.0049 693 THR 47 CG2 0.0105 -0.0019 -0.0042 694 THR 47 HG21 0.0107 -0.0006 -0.0030 695 THR 47 HG22 0.0093 -0.0022 -0.0048 696 THR 47 HG23 0.0097 -0.0019 -0.0044 697 THR 47 C 0.0163 -0.0038 -0.0046 698 THR 47 O 0.0180 -0.0032 -0.0038 699 HIS 48 N 0.0173 -0.0090 -0.0122 700 HIS 48 HN 0.0153 -0.0099 -0.0119 701 HIS 48 CA 0.0192 -0.0111 -0.0123 702 HIS 48 HA 0.0197 -0.0102 -0.0124 703 HIS 48 CB 0.0175 -0.0142 -0.0121 704 HIS 48 HB1 0.0154 -0.0139 -0.0119 705 HIS 48 HB2 0.0189 -0.0159 -0.0122 706 HIS 48 CD2 0.0176 -0.0183 -0.0120 707 HIS 48 HD2 0.0193 -0.0200 -0.0121 708 HIS 48 CG 0.0166 -0.0157 -0.0119 709 HIS 48 NE2 0.0160 -0.0186 -0.0118 710 HIS 48 HE2 0.0161 -0.0204 -0.0118 711 HIS 48 ND1 0.0144 -0.0143 -0.0117 712 HIS 48 HD1 0.0133 -0.0124 -0.0117 713 HIS 48 CE1 0.0141 -0.0162 -0.0117 714 HIS 48 HE1 0.0126 -0.0158 -0.0115 715 HIS 48 C 0.0222 -0.0117 -0.0126 716 HIS 48 O 0.0245 -0.0124 -0.0129 717 CYS 49 N 0.0233 -0.0120 -0.0145 718 CYS 49 HN 0.0195 -0.0118 -0.0126 719 CYS 49 CA 0.0244 -0.0133 -0.0163 720 CYS 49 HA 0.0279 -0.0147 -0.0193 721 CYS 49 CB 0.0191 -0.0166 -0.0173 722 CYS 49 HB1 0.0157 -0.0151 -0.0142 723 CYS 49 HB2 0.0177 -0.0192 -0.0192 724 CYS 49 SG 0.0201 -0.0192 -0.0203 725 CYS 49 HG1 0.0231 -0.0155 -0.0180 726 CYS 49 C 0.0261 -0.0093 -0.0131 727 CYS 49 O 0.0271 -0.0096 -0.0138 728 GLY 50 N 0.0148 -0.0016 -0.0040 729 GLY 50 HN 0.0141 -0.0023 -0.0049 730 GLY 50 CA 0.0167 0.0013 -0.0006 731 GLY 50 HA1 0.0195 0.0010 -0.0003 732 GLY 50 HA2 0.0177 0.0018 0.0002 733 GLY 50 C 0.0135 0.0041 0.0017 734 GLY 50 O 0.0149 0.0064 0.0044 735 LYS 51 N 0.0133 0.0021 0.0034 736 LYS 51 HN 0.0135 0.0018 0.0011 737 LYS 51 CA 0.0110 0.0034 0.0048 738 LYS 51 HA 0.0106 0.0038 0.0069 739 LYS 51 CB 0.0085 0.0046 0.0026 740 LYS 51 HB1 0.0067 0.0057 0.0039 741 LYS 51 HB2 0.0088 0.0043 0.0006 742 LYS 51 CG 0.0077 0.0050 0.0014 743 LYS 51 HG1 0.0061 0.0057 -0.0005 744 LYS 51 HG2 0.0095 0.0039 0.0003 745 LYS 51 CD 0.0066 0.0058 0.0038 746 LYS 51 HD1 0.0081 0.0051 0.0057 747 LYS 51 HD2 0.0047 0.0068 0.0047 748 LYS 51 CE 0.0059 0.0060 0.0025 749 LYS 51 HE1 0.0047 0.0065 0.0003 750 LYS 51 HE2 0.0079 0.0049 0.0020 751 LYS 51 NZ 0.0043 0.0070 0.0046 752 LYS 51 HZ1 0.0041 0.0071 0.0038 753 LYS 51 HZ2 0.0024 0.0081 0.0048 754 LYS 51 HZ3 0.0053 0.0067 0.0068 755 LYS 51 C 0.0118 0.0031 0.0057 756 LYS 51 O 0.0129 0.0023 0.0039 757 TYR 52 N 0.0068 0.0028 0.0093 758 TYR 52 HN 0.0070 0.0021 0.0084 759 TYR 52 CA 0.0066 0.0031 0.0094 760 TYR 52 HA 0.0061 0.0042 0.0100 761 TYR 52 CB 0.0062 0.0031 0.0076 762 TYR 52 HB1 0.0062 0.0030 0.0077 763 TYR 52 HB2 0.0066 0.0021 0.0068 764 TYR 52 CG 0.0052 0.0044 0.0068 765 TYR 52 CD1 0.0050 0.0045 0.0062 766 TYR 52 HD1 0.0055 0.0037 0.0063 767 TYR 52 CE1 0.0041 0.0057 0.0055 768 TYR 52 HE1 0.0039 0.0058 0.0050 769 TYR 52 CZ 0.0034 0.0068 0.0053 770 TYR 52 OH 0.0025 0.0080 0.0046 771 TYR 52 HH 0.0021 0.0086 0.0045 772 TYR 52 CD2 0.0045 0.0055 0.0067 773 TYR 52 HD2 0.0047 0.0054 0.0071 774 TYR 52 CE2 0.0036 0.0067 0.0059 775 TYR 52 HE2 0.0031 0.0075 0.0058 776 TYR 52 C 0.0074 0.0021 0.0103 777 TYR 52 O 0.0082 0.0008 0.0100 778 LEU 53 N 0.0071 0.0035 0.0113 779 LEU 53 HN 0.0086 0.0038 0.0112 780 LEU 53 CA 0.0060 0.0033 0.0124 781 LEU 53 HA 0.0046 0.0031 0.0115 782 LEU 53 CB 0.0073 0.0035 0.0123 783 LEU 53 HB1 0.0065 0.0033 0.0135 784 LEU 53 HB2 0.0089 0.0037 0.0129 785 LEU 53 CG 0.0073 0.0036 0.0102 786 LEU 53 HG 0.0056 0.0033 0.0095 787 LEU 53 CD1 0.0086 0.0039 0.0085 788 LEU 53 HD11 0.0086 0.0040 0.0070 789 LEU 53 HD12 0.0081 0.0038 0.0081 790 LEU 53 HD13 0.0103 0.0042 0.0090 791 LEU 53 CD2 0.0080 0.0037 0.0104 792 LEU 53 HD21 0.0070 0.0035 0.0115 793 LEU 53 HD22 0.0079 0.0038 0.0089 794 LEU 53 HD23 0.0096 0.0040 0.0110 795 LEU 53 C 0.0054 0.0031 0.0146 796 LEU 53 O 0.0066 0.0032 0.0158 797 SER 54 N 0.0050 0.0006 0.0182 798 SER 54 HN 0.0060 0.0003 0.0194 799 SER 54 CA 0.0054 -0.0014 0.0166 800 SER 54 HA 0.0046 -0.0010 0.0159 801 SER 54 CB 0.0051 -0.0029 0.0146 802 SER 54 HB1 0.0061 -0.0034 0.0154 803 SER 54 HB2 0.0036 -0.0018 0.0136 804 SER 54 OG 0.0055 -0.0049 0.0130 805 SER 54 HG1 0.0044 -0.0043 0.0120 806 SER 54 C 0.0075 -0.0029 0.0182 807 SER 54 O 0.0086 -0.0027 0.0200 808 ILE 55 N 0.0056 0.0050 0.0179 809 ILE 55 HN 0.0048 0.0051 0.0166 810 ILE 55 CA 0.0071 0.0046 0.0178 811 ILE 55 HA 0.0076 0.0047 0.0194 812 ILE 55 CB 0.0064 0.0047 0.0169 813 ILE 55 HB 0.0062 0.0045 0.0152 814 ILE 55 CG2 0.0044 0.0053 0.0178 815 ILE 55 HG21 0.0046 0.0056 0.0195 816 ILE 55 HG22 0.0032 0.0056 0.0174 817 ILE 55 HG23 0.0039 0.0054 0.0173 818 ILE 55 CG1 0.0080 0.0043 0.0173 819 ILE 55 HG11 0.0092 0.0039 0.0162 820 ILE 55 HG12 0.0072 0.0045 0.0169 821 ILE 55 CD 0.0089 0.0044 0.0195 822 ILE 55 HD1 0.0099 0.0042 0.0198 823 ILE 55 HD2 0.0077 0.0049 0.0206 824 ILE 55 HD3 0.0098 0.0042 0.0197 825 ILE 55 C 0.0089 0.0040 0.0168 826 ILE 55 O 0.0105 0.0036 0.0165 827 GLY 56 N 0.0081 -0.0119 0.0094 828 GLY 56 HN 0.0056 -0.0087 0.0081 829 GLY 56 CA 0.0088 -0.0165 0.0063 830 GLY 56 HA1 0.0097 -0.0165 0.0079 831 GLY 56 HA2 0.0063 -0.0160 0.0024 832 GLY 56 C 0.0114 -0.0217 0.0060 833 GLY 56 O 0.0115 -0.0224 0.0055 834 ASP 57 N 0.0033 -0.0213 -0.0032 835 ASP 57 HN 0.0028 -0.0256 -0.0111 836 ASP 57 CA -0.0004 -0.0321 0.0038 837 ASP 57 HA 0.0008 -0.0271 0.0067 838 ASP 57 CB -0.0031 -0.0454 -0.0076 839 ASP 57 HB1 -0.0060 -0.0540 -0.0026 840 ASP 57 HB2 -0.0043 -0.0506 -0.0107 841 ASP 57 CG -0.0005 -0.0410 -0.0227 842 ASP 57 OD1 0.0032 -0.0284 -0.0237 843 ASP 57 OD2 -0.0023 -0.0508 -0.0331 844 ASP 57 C -0.0035 -0.0385 0.0185 845 ASP 57 O -0.0072 -0.0496 0.0244 846 HIS 58 N 0.0253 0.0032 0.0032 847 HIS 58 HN 0.0236 0.0044 0.0034 848 HIS 58 CA 0.0268 0.0027 0.0055 849 HIS 58 HA 0.0280 0.0018 0.0048 850 HIS 58 CB 0.0283 0.0020 0.0070 851 HIS 58 HB1 0.0271 0.0029 0.0074 852 HIS 58 HB2 0.0294 0.0009 0.0055 853 HIS 58 CD2 0.0299 0.0021 0.0121 854 HIS 58 HD2 0.0290 0.0029 0.0127 855 HIS 58 CG 0.0298 0.0016 0.0096 856 HIS 58 NE2 0.0316 0.0013 0.0138 857 HIS 58 HE2 0.0322 0.0014 0.0158 858 HIS 58 ND1 0.0313 0.0006 0.0098 859 HIS 58 HD1 0.0316 0.0000 0.0083 860 HIS 58 CE1 0.0324 0.0004 0.0124 861 HIS 58 HE1 0.0337 -0.0003 0.0132 862 HIS 58 C 0.0255 0.0041 0.0076 863 HIS 58 O 0.0234 0.0055 0.0074 864 LYS 59 N 0.0228 0.0131 0.0097 865 LYS 59 HN 0.0236 0.0104 0.0100 866 LYS 59 CA 0.0132 0.0124 0.0133 867 LYS 59 HA 0.0112 0.0198 0.0125 868 LYS 59 CB 0.0053 0.0099 0.0167 869 LYS 59 HB1 -0.0018 0.0087 0.0195 870 LYS 59 HB2 0.0076 0.0024 0.0175 871 LYS 59 CG 0.0034 0.0180 0.0157 872 LYS 59 HG1 -0.0028 0.0157 0.0184 873 LYS 59 HG2 0.0100 0.0177 0.0133 874 LYS 59 CD 0.0015 0.0290 0.0140 875 LYS 59 HD1 -0.0005 0.0340 0.0137 876 LYS 59 HD2 0.0085 0.0316 0.0109 877 LYS 59 CE -0.0064 0.0309 0.0165 878 LYS 59 HE1 -0.0073 0.0392 0.0150 879 LYS 59 HE2 -0.0040 0.0267 0.0165 880 LYS 59 NZ -0.0159 0.0273 0.0207 881 LYS 59 HZ1 -0.0182 0.0305 0.0208 882 LYS 59 HZ2 -0.0153 0.0193 0.0221 883 LYS 59 HZ3 -0.0212 0.0292 0.0222 884 LYS 59 C 0.0126 0.0049 0.0151 885 LYS 59 O 0.0068 0.0070 0.0168 886 GLN 60 N 0.0050 0.0070 0.0178 887 GLN 60 HN 0.0057 0.0070 0.0177 888 GLN 60 CA 0.0055 0.0046 0.0174 889 GLN 60 HA 0.0040 0.0044 0.0176 890 GLN 60 CB 0.0053 0.0019 0.0170 891 GLN 60 HB1 0.0056 0.0001 0.0167 892 GLN 60 HB2 0.0071 0.0018 0.0167 893 GLN 60 CG 0.0027 0.0014 0.0174 894 GLN 60 HG1 0.0025 -0.0008 0.0171 895 GLN 60 HG2 0.0027 0.0028 0.0176 896 GLN 60 CD 0.0000 0.0021 0.0180 897 GLN 60 OE1 -0.0011 0.0043 0.0185 898 GLN 60 NE2 -0.0010 0.0002 0.0179 899 GLN 60 HE21 0.0001 -0.0015 0.0175 900 GLN 60 HE22 -0.0028 0.0005 0.0183 901 GLN 60 C 0.0083 0.0049 0.0169 902 GLN 60 O 0.0103 0.0058 0.0167 903 VAL 61 N 0.0049 0.0063 0.0180 904 VAL 61 HN 0.0051 0.0064 0.0177 905 VAL 61 CA 0.0062 0.0066 0.0178 906 VAL 61 HA 0.0064 0.0068 0.0189 907 VAL 61 CB 0.0076 0.0069 0.0172 908 VAL 61 HB 0.0073 0.0067 0.0162 909 VAL 61 CG1 0.0089 0.0072 0.0169 910 VAL 61 HG11 0.0091 0.0073 0.0178 911 VAL 61 HG12 0.0099 0.0074 0.0166 912 VAL 61 HG13 0.0086 0.0070 0.0159 913 VAL 61 CG2 0.0080 0.0071 0.0185 914 VAL 61 HG21 0.0090 0.0073 0.0182 915 VAL 61 HG22 0.0082 0.0073 0.0196 916 VAL 61 HG23 0.0072 0.0069 0.0187 917 VAL 61 C 0.0059 0.0064 0.0167 918 VAL 61 O 0.0053 0.0062 0.0155 919 TYR 62 N 0.0060 0.0028 0.0154 920 TYR 62 HN 0.0082 0.0009 0.0188 921 TYR 62 CA 0.0018 0.0039 0.0143 922 TYR 62 HA -0.0010 0.0057 0.0112 923 TYR 62 CB -0.0021 0.0018 0.0195 924 TYR 62 HB1 0.0003 0.0001 0.0224 925 TYR 62 HB2 -0.0034 0.0010 0.0215 926 TYR 62 CG -0.0077 0.0032 0.0181 927 TYR 62 CD1 -0.0085 0.0029 0.0188 928 TYR 62 HD1 -0.0049 0.0017 0.0204 929 TYR 62 CE1 -0.0137 0.0043 0.0173 930 TYR 62 HE1 -0.0142 0.0041 0.0178 931 TYR 62 CZ -0.0182 0.0059 0.0151 932 TYR 62 OH -0.0234 0.0073 0.0135 933 TYR 62 HH -0.0251 0.0089 0.0106 934 TYR 62 CD2 -0.0124 0.0048 0.0159 935 TYR 62 HD2 -0.0119 0.0050 0.0154 936 TYR 62 CE2 -0.0176 0.0061 0.0144 937 TYR 62 HE2 -0.0212 0.0074 0.0127 938 TYR 62 C 0.0051 0.0045 0.0121 939 TYR 62 O 0.0102 0.0033 0.0134 940 LEU 63 N -0.0007 0.0045 0.0115 941 LEU 63 HN -0.0040 0.0048 0.0105 942 LEU 63 CA 0.0027 0.0042 0.0094 943 LEU 63 HA 0.0060 0.0039 0.0109 944 LEU 63 CB 0.0029 0.0043 0.0041 945 LEU 63 HB1 0.0000 0.0046 0.0023 946 LEU 63 HB2 0.0023 0.0044 0.0033 947 LEU 63 CG 0.0075 0.0039 0.0018 948 LEU 63 HG 0.0085 0.0038 0.0033 949 LEU 63 CD1 0.0114 0.0035 0.0030 950 LEU 63 HD11 0.0105 0.0036 0.0018 951 LEU 63 HD12 0.0148 0.0032 0.0014 952 LEU 63 HD13 0.0120 0.0034 0.0069 953 LEU 63 CD2 0.0069 0.0041 -0.0035 954 LEU 63 HD21 0.0103 0.0038 -0.0052 955 LEU 63 HD22 0.0055 0.0043 -0.0049 956 LEU 63 HD23 0.0044 0.0044 -0.0043 957 LEU 63 C 0.0013 0.0043 0.0107 958 LEU 63 O -0.0025 0.0047 0.0096 959 SER 64 N 0.0085 0.0007 0.0136 960 SER 64 HN 0.0094 0.0011 0.0140 961 SER 64 CA 0.0070 -0.0001 0.0129 962 SER 64 HA 0.0064 -0.0009 0.0128 963 SER 64 CB 0.0072 -0.0013 0.0135 964 SER 64 HB1 0.0080 -0.0006 0.0138 965 SER 64 HB2 0.0078 -0.0024 0.0143 966 SER 64 OG 0.0058 -0.0021 0.0129 967 SER 64 HG1 0.0055 -0.0014 0.0124 968 SER 64 C 0.0061 0.0012 0.0118 969 SER 64 O 0.0067 0.0026 0.0117 970 HIS 65 N 0.0082 -0.0028 0.0092 971 HIS 65 HN 0.0101 -0.0067 0.0073 972 HIS 65 CA 0.0045 0.0003 0.0062 973 HIS 65 HA 0.0030 0.0042 0.0093 974 HIS 65 CB 0.0056 -0.0023 0.0044 975 HIS 65 HB1 0.0069 -0.0062 0.0011 976 HIS 65 HB2 0.0080 -0.0031 0.0084 977 HIS 65 CD2 -0.0003 0.0002 -0.0042 978 HIS 65 HD2 0.0003 -0.0030 -0.0081 979 HIS 65 CG 0.0018 0.0010 0.0015 980 HIS 65 NE2 -0.0036 0.0046 -0.0044 981 HIS 65 HE2 -0.0059 0.0053 -0.0081 982 HIS 65 ND1 -0.0002 0.0058 0.0050 983 HIS 65 HD1 0.0008 0.0074 0.0095 984 HIS 65 CE1 -0.0034 0.0079 0.0012 985 HIS 65 HE1 -0.0058 0.0117 0.0023 986 HIS 65 C 0.0012 0.0013 0.0008 987 HIS 65 O 0.0020 -0.0025 -0.0035 988 HIS 66 N -0.0028 -0.0026 0.0003 989 HIS 66 HN -0.0015 0.0070 0.0029 990 HIS 66 CA -0.0057 -0.0019 -0.0029 991 HIS 66 HA -0.0055 0.0098 -0.0016 992 HIS 66 CB -0.0161 -0.0059 -0.0158 993 HIS 66 HB1 -0.0180 -0.0043 -0.0179 994 HIS 66 HB2 -0.0168 -0.0176 -0.0178 995 HIS 66 CD2 -0.0319 0.0005 -0.0340 996 HIS 66 HD2 -0.0353 -0.0098 -0.0391 997 HIS 66 CG -0.0233 0.0037 -0.0235 998 HIS 66 NE2 -0.0358 0.0134 -0.0373 999 HIS 66 HE2 -0.0423 0.0151 -0.0450 1000 HIS 66 ND1 -0.0218 0.0183 -0.0202 1001 HIS 66 HD1 -0.0161 0.0238 -0.0129 1002 HIS 66 CE1 -0.0294 0.0237 -0.0288 1003 HIS 66 HE1 -0.0305 0.0352 -0.0289 1004 HIS 66 C 0.0017 -0.0099 0.0050 1005 HIS 66 O 0.0089 -0.0169 0.0129 1006 LEU 67 N -0.0029 -0.0023 0.0003 1007 LEU 67 HN -0.0044 -0.0013 -0.0007 1008 LEU 67 CA -0.0026 -0.0027 -0.0002 1009 LEU 67 HA -0.0019 -0.0028 0.0019 1010 LEU 67 CB -0.0050 -0.0009 -0.0010 1011 LEU 67 HB1 -0.0059 -0.0007 -0.0032 1012 LEU 67 HB2 -0.0060 0.0005 0.0006 1013 LEU 67 CG -0.0049 -0.0010 -0.0011 1014 LEU 67 HG -0.0044 -0.0021 -0.0032 1015 LEU 67 CD1 -0.0033 -0.0016 0.0014 1016 LEU 67 HD11 -0.0015 -0.0033 0.0013 1017 LEU 67 HD12 -0.0037 -0.0007 0.0035 1018 LEU 67 HD13 -0.0035 -0.0015 0.0014 1019 LEU 67 CD2 -0.0073 0.0011 -0.0012 1020 LEU 67 HD21 -0.0074 0.0011 -0.0014 1021 LEU 67 HD22 -0.0079 0.0023 0.0008 1022 LEU 67 HD23 -0.0085 0.0017 -0.0031 1023 LEU 67 C -0.0010 -0.0048 -0.0022 1024 LEU 67 O -0.0015 -0.0051 -0.0049 1025 HIS 68 N -0.0030 -0.0037 -0.0054 1026 HIS 68 HN -0.0040 -0.0051 0.0040 1027 HIS 68 CA 0.0053 -0.0065 -0.0140 1028 HIS 68 HA 0.0109 -0.0083 -0.0197 1029 HIS 68 CB 0.0133 -0.0125 -0.0061 1030 HIS 68 HB1 0.0080 -0.0108 -0.0001 1031 HIS 68 HB2 0.0178 -0.0163 0.0006 1032 HIS 68 CD2 0.0267 -0.0182 -0.0139 1033 HIS 68 HD2 0.0235 -0.0177 -0.0076 1034 HIS 68 CG 0.0230 -0.0160 -0.0144 1035 HIS 68 NE2 0.0358 -0.0211 -0.0239 1036 HIS 68 HE2 0.0398 -0.0225 -0.0274 1037 HIS 68 ND1 0.0294 -0.0174 -0.0243 1038 HIS 68 HD1 0.0285 -0.0164 -0.0269 1039 HIS 68 CE1 0.0370 -0.0205 -0.0298 1040 HIS 68 HE1 0.0435 -0.0223 -0.0382 1041 HIS 68 C -0.0006 -0.0012 -0.0237 1042 HIS 68 O -0.0104 0.0035 -0.0209 1043 GLY 69 N 0.0174 -0.0128 -0.0401 1044 GLY 69 HN 0.0241 -0.0198 -0.0435 1045 GLY 69 CA 0.0133 -0.0084 -0.0493 1046 GLY 69 HA1 0.0175 -0.0125 -0.0600 1047 GLY 69 HA2 0.0050 0.0004 -0.0505 1048 GLY 69 C 0.0149 -0.0101 -0.0427 1049 GLY 69 O 0.0078 -0.0027 -0.0426 1050 ASP 70 N 0.0136 -0.0053 -0.0510 1051 ASP 70 HN 0.0256 -0.0144 -0.0502 1052 ASP 70 CA 0.0133 -0.0072 -0.0436 1053 ASP 70 HA 0.0068 0.0010 -0.0554 1054 ASP 70 CB 0.0333 -0.0219 -0.0438 1055 ASP 70 HB1 0.0332 -0.0226 -0.0412 1056 ASP 70 HB2 0.0401 -0.0308 -0.0308 1057 ASP 70 CG 0.0447 -0.0238 -0.0667 1058 ASP 70 OD1 0.0403 -0.0157 -0.0832 1059 ASP 70 OD2 0.0575 -0.0330 -0.0678 1060 ASP 70 C 0.0020 -0.0055 -0.0204 1061 ASP 70 O 0.0001 -0.0081 -0.0065 1062 HIS 71 N -0.0037 -0.0084 -0.0080 1063 HIS 71 HN -0.0029 -0.0106 -0.0106 1064 HIS 71 CA -0.0037 -0.0052 0.0006 1065 HIS 71 HA -0.0056 -0.0022 0.0006 1066 HIS 71 CB 0.0013 -0.0112 0.0063 1067 HIS 71 HB1 0.0013 -0.0088 0.0127 1068 HIS 71 HB2 0.0036 -0.0146 0.0065 1069 HIS 71 CD2 0.0074 -0.0231 0.0003 1070 HIS 71 HD2 0.0097 -0.0270 -0.0002 1071 HIS 71 CG 0.0035 -0.0159 0.0031 1072 HIS 71 NE2 0.0078 -0.0246 -0.0020 1073 HIS 71 HE2 0.0103 -0.0295 -0.0045 1074 HIS 71 ND1 0.0015 -0.0129 0.0026 1075 HIS 71 HD1 -0.0013 -0.0077 0.0043 1076 HIS 71 CE1 0.0042 -0.0183 -0.0005 1077 HIS 71 HE1 0.0037 -0.0179 -0.0017 1078 HIS 71 C -0.0062 0.0003 0.0046 1079 HIS 71 O -0.0041 -0.0009 0.0107 1080 SER 72 N -0.0034 0.0017 0.0030 1081 SER 72 HN -0.0038 0.0025 0.0004 1082 SER 72 CA -0.0048 0.0024 0.0052 1083 SER 72 HA -0.0045 0.0016 0.0081 1084 SER 72 CB -0.0035 0.0016 0.0040 1085 SER 72 HB1 -0.0045 0.0020 0.0059 1086 SER 72 HB2 -0.0040 0.0026 0.0011 1087 SER 72 OG -0.0005 -0.0010 0.0040 1088 SER 72 HG1 0.0004 -0.0013 0.0017 1089 SER 72 C -0.0081 0.0052 0.0051 1090 SER 72 O -0.0094 0.0061 0.0065 1091 LEU 73 N -0.0097 0.0019 0.0024 1092 LEU 73 HN -0.0092 0.0019 0.0018 1093 LEU 73 CA -0.0115 0.0029 0.0025 1094 LEU 73 HA -0.0119 0.0029 0.0032 1095 LEU 73 CB -0.0119 0.0039 0.0007 1096 LEU 73 HB1 -0.0132 0.0046 0.0008 1097 LEU 73 HB2 -0.0118 0.0041 0.0001 1098 LEU 73 CG -0.0108 0.0039 -0.0007 1099 LEU 73 HG -0.0095 0.0032 -0.0009 1100 LEU 73 CD1 -0.0113 0.0050 -0.0025 1101 LEU 73 HD11 -0.0105 0.0049 -0.0035 1102 LEU 73 HD12 -0.0112 0.0051 -0.0029 1103 LEU 73 HD13 -0.0126 0.0057 -0.0024 1104 LEU 73 CD2 -0.0109 0.0037 -0.0001 1105 LEU 73 HD21 -0.0105 0.0029 0.0012 1106 LEU 73 HD22 -0.0101 0.0037 -0.0011 1107 LEU 73 HD23 -0.0122 0.0044 0.0001 1108 LEU 73 C -0.0124 0.0030 0.0035 1109 LEU 73 O -0.0120 0.0029 0.0032 1110 PHE 74 N -0.0093 0.0043 0.0077 1111 PHE 74 HN -0.0107 0.0044 0.0089 1112 PHE 74 CA -0.0094 0.0044 0.0083 1113 PHE 74 HA -0.0078 0.0043 0.0070 1114 PHE 74 CB -0.0088 0.0047 0.0115 1115 PHE 74 HB1 -0.0091 0.0047 0.0120 1116 PHE 74 HB2 -0.0103 0.0048 0.0128 1117 PHE 74 CG -0.0058 0.0049 0.0123 1118 PHE 74 CD1 -0.0051 0.0050 0.0133 1119 PHE 74 HD1 -0.0067 0.0049 0.0134 1120 PHE 74 CE1 -0.0024 0.0051 0.0141 1121 PHE 74 HE1 -0.0019 0.0052 0.0148 1122 PHE 74 CZ -0.0003 0.0052 0.0139 1123 PHE 74 HZ 0.0019 0.0053 0.0146 1124 PHE 74 CD2 -0.0037 0.0049 0.0121 1125 PHE 74 HD2 -0.0042 0.0048 0.0114 1126 PHE 74 CE2 -0.0009 0.0051 0.0130 1127 PHE 74 HE2 0.0007 0.0051 0.0129 1128 PHE 74 C -0.0122 0.0042 0.0076 1129 PHE 74 O -0.0144 0.0042 0.0072 1130 HIS 75 N -0.0130 0.0015 0.0083 1131 HIS 75 HN -0.0114 0.0025 0.0079 1132 HIS 75 CA -0.0135 -0.0000 0.0073 1133 HIS 75 HA -0.0153 -0.0007 0.0080 1134 HIS 75 CB -0.0127 -0.0018 0.0051 1135 HIS 75 HB1 -0.0109 -0.0010 0.0044 1136 HIS 75 HB2 -0.0136 -0.0025 0.0051 1137 HIS 75 CD2 -0.0142 -0.0040 0.0042 1138 HIS 75 HD2 -0.0150 -0.0032 0.0055 1139 HIS 75 CG -0.0131 -0.0035 0.0038 1140 HIS 75 NE2 -0.0140 -0.0058 0.0024 1141 HIS 75 HE2 -0.0145 -0.0065 0.0022 1142 HIS 75 ND1 -0.0124 -0.0051 0.0019 1143 HIS 75 HD1 -0.0116 -0.0052 0.0012 1144 HIS 75 CE1 -0.0129 -0.0064 0.0011 1145 HIS 75 HE1 -0.0125 -0.0078 -0.0005 1146 HIS 75 C -0.0124 0.0011 0.0074 1147 HIS 75 O -0.0104 0.0022 0.0069 1148 LEU 76 N -0.0103 0.0014 0.0039 1149 LEU 76 HN -0.0113 0.0010 0.0041 1150 LEU 76 CA -0.0100 0.0019 0.0044 1151 LEU 76 HA -0.0090 0.0026 0.0046 1152 LEU 76 CB -0.0112 0.0023 0.0056 1153 LEU 76 HB1 -0.0110 0.0027 0.0060 1154 LEU 76 HB2 -0.0122 0.0015 0.0054 1155 LEU 76 CG -0.0116 0.0029 0.0067 1156 LEU 76 HG -0.0118 0.0025 0.0063 1157 LEU 76 CD1 -0.0129 0.0031 0.0078 1158 LEU 76 HD11 -0.0127 0.0035 0.0082 1159 LEU 76 HD12 -0.0131 0.0036 0.0085 1160 LEU 76 HD13 -0.0138 0.0023 0.0074 1161 LEU 76 CD2 -0.0103 0.0040 0.0072 1162 LEU 76 HD21 -0.0093 0.0039 0.0065 1163 LEU 76 HD22 -0.0106 0.0045 0.0080 1164 LEU 76 HD23 -0.0100 0.0045 0.0076 1165 LEU 76 C -0.0100 0.0011 0.0034 1166 LEU 76 O -0.0110 0.0003 0.0031 1167 GLU 77 N -0.0084 -0.0037 0.0001 1168 GLU 77 HN -0.0081 -0.0016 -0.0002 1169 GLU 77 CA -0.0057 -0.0059 -0.0012 1170 GLU 77 HA -0.0063 -0.0084 -0.0006 1171 GLU 77 CB -0.0037 -0.0067 -0.0022 1172 GLU 77 HB1 -0.0015 -0.0083 -0.0032 1173 GLU 77 HB2 -0.0029 -0.0042 -0.0028 1174 GLU 77 CG -0.0055 -0.0089 -0.0010 1175 GLU 77 HG1 -0.0071 -0.0071 -0.0003 1176 GLU 77 HG2 -0.0070 -0.0107 -0.0000 1177 GLU 77 CD -0.0035 -0.0110 -0.0019 1178 GLU 77 OE1 -0.0019 -0.0095 -0.0029 1179 GLU 77 OE2 -0.0037 -0.0143 -0.0015 1180 GLU 77 C -0.0039 -0.0040 -0.0023 1181 GLU 77 O -0.0028 -0.0011 -0.0032 1182 HIS 78 N -0.0101 0.0031 -0.0061 1183 HIS 78 HN -0.0104 0.0025 -0.0062 1184 HIS 78 CA -0.0101 0.0033 -0.0059 1185 HIS 78 HA -0.0098 0.0040 -0.0057 1186 HIS 78 CB -0.0109 0.0030 -0.0053 1187 HIS 78 HB1 -0.0110 0.0030 -0.0053 1188 HIS 78 HB2 -0.0113 0.0024 -0.0055 1189 HIS 78 CD2 -0.0118 0.0035 -0.0041 1190 HIS 78 HD2 -0.0120 0.0030 -0.0043 1191 HIS 78 CG -0.0113 0.0036 -0.0045 1192 HIS 78 NE2 -0.0120 0.0042 -0.0035 1193 HIS 78 HE2 -0.0123 0.0043 -0.0031 1194 HIS 78 ND1 -0.0112 0.0043 -0.0041 1195 HIS 78 HD1 -0.0109 0.0046 -0.0042 1196 HIS 78 CE1 -0.0116 0.0046 -0.0035 1197 HIS 78 HE1 -0.0116 0.0052 -0.0030 1198 HIS 78 C -0.0097 0.0029 -0.0065 1199 HIS 78 O -0.0099 0.0022 -0.0069 1200 HIS 79 N -0.0085 0.0054 -0.0046 1201 HIS 79 HN -0.0072 0.0079 -0.0022 1202 HIS 79 CA -0.0051 0.0075 -0.0015 1203 HIS 79 HA -0.0089 0.0067 -0.0039 1204 HIS 79 CB 0.0040 0.0031 0.0000 1205 HIS 79 HB1 0.0066 0.0055 0.0030 1206 HIS 79 HB2 0.0078 0.0035 0.0021 1207 HIS 79 CD2 0.0098 -0.0114 -0.0071 1208 HIS 79 HD2 0.0130 -0.0118 -0.0059 1209 HIS 79 CG 0.0053 -0.0052 -0.0050 1210 HIS 79 NE2 0.0100 -0.0175 -0.0112 1211 HIS 79 HE2 0.0128 -0.0229 -0.0136 1212 HIS 79 ND1 0.0028 -0.0071 -0.0076 1213 HIS 79 HD1 -0.0004 -0.0037 -0.0068 1214 HIS 79 CE1 0.0057 -0.0146 -0.0114 1215 HIS 79 HE1 0.0047 -0.0180 -0.0142 1216 HIS 79 C -0.0049 0.0157 0.0043 1217 HIS 79 O -0.0007 0.0180 0.0080 1218 GLY 80 N 0.0030 0.0832 0.0210 1219 GLY 80 HN 0.0070 0.0993 0.0214 1220 GLY 80 CA 0.0038 0.0824 0.0185 1221 GLY 80 HA1 -0.0040 0.0746 0.0334 1222 GLY 80 HA2 0.0092 0.1006 0.0167 1223 GLY 80 C 0.0084 0.0672 -0.0033 1224 GLY 80 O 0.0169 0.0708 -0.0225 1225 GLY 81 N -0.0077 0.0071 -0.0043 1226 GLY 81 HN -0.0135 0.0058 -0.0026 1227 GLY 81 CA -0.0039 0.0001 -0.0086 1228 GLY 81 HA1 -0.0067 -0.0057 -0.0097 1229 GLY 81 HA2 0.0029 0.0011 -0.0109 1230 GLY 81 C -0.0054 -0.0012 -0.0085 1231 GLY 81 O -0.0016 -0.0060 -0.0119 1232 LYS 82 N -0.0095 -0.0045 -0.0053 1233 LYS 82 HN -0.0132 -0.0016 -0.0055 1234 LYS 82 CA -0.0073 -0.0032 -0.0059 1235 LYS 82 HA -0.0054 -0.0078 -0.0051 1236 LYS 82 CB -0.0132 -0.0006 -0.0057 1237 LYS 82 HB1 -0.0114 0.0006 -0.0062 1238 LYS 82 HB2 -0.0151 0.0040 -0.0065 1239 LYS 82 CG -0.0188 -0.0054 -0.0039 1240 LYS 82 HG1 -0.0203 -0.0070 -0.0033 1241 LYS 82 HG2 -0.0169 -0.0099 -0.0031 1242 LYS 82 CD -0.0250 -0.0025 -0.0037 1243 LYS 82 HD1 -0.0237 -0.0014 -0.0042 1244 LYS 82 HD2 -0.0264 0.0022 -0.0046 1245 LYS 82 CE -0.0310 -0.0069 -0.0019 1246 LYS 82 HE1 -0.0354 -0.0045 -0.0019 1247 LYS 82 HE2 -0.0324 -0.0079 -0.0015 1248 LYS 82 NZ -0.0297 -0.0133 -0.0006 1249 LYS 82 HZ1 -0.0282 -0.0127 -0.0010 1250 LYS 82 HZ2 -0.0259 -0.0161 -0.0005 1251 LYS 82 HZ3 -0.0340 -0.0161 0.0006 1252 LYS 82 C -0.0017 0.0016 -0.0077 1253 LYS 82 O -0.0015 0.0063 -0.0088 1254 VAL 83 N -0.0036 -0.0008 -0.0039 1255 VAL 83 HN -0.0033 -0.0006 -0.0036 1256 VAL 83 CA -0.0030 -0.0002 -0.0039 1257 VAL 83 HA -0.0035 -0.0002 -0.0046 1258 VAL 83 CB -0.0027 -0.0005 -0.0025 1259 VAL 83 HB -0.0033 -0.0014 -0.0023 1260 VAL 83 CG1 -0.0020 -0.0004 -0.0015 1261 VAL 83 HG11 -0.0018 -0.0008 -0.0005 1262 VAL 83 HG12 -0.0023 -0.0008 -0.0014 1263 VAL 83 HG13 -0.0013 0.0005 -0.0016 1264 VAL 83 CG2 -0.0022 0.0000 -0.0026 1265 VAL 83 HG21 -0.0020 -0.0003 -0.0017 1266 VAL 83 HG22 -0.0014 0.0009 -0.0027 1267 VAL 83 HG23 -0.0027 -0.0000 -0.0034 1268 VAL 83 C -0.0022 0.0011 -0.0043 1269 VAL 83 O -0.0017 0.0014 -0.0040 1270 SER 84 N -0.0020 -0.0013 -0.0015 1271 SER 84 HN -0.0026 -0.0034 -0.0015 1272 SER 84 CA -0.0013 -0.0006 -0.0019 1273 SER 84 HA -0.0007 0.0017 -0.0018 1274 SER 84 CB 0.0006 -0.0020 -0.0040 1275 SER 84 HB1 0.0000 -0.0043 -0.0042 1276 SER 84 HB2 0.0019 -0.0015 -0.0051 1277 SER 84 OG 0.0014 -0.0010 -0.0045 1278 SER 84 HG1 0.0027 -0.0018 -0.0059 1279 SER 84 C -0.0032 -0.0013 -0.0004 1280 SER 84 O -0.0046 -0.0033 0.0003 1281 ILE 85 N -0.0013 0.0026 0.0055 1282 ILE 85 HN -0.0011 0.0038 0.0046 1283 ILE 85 CA -0.0020 0.0031 0.0076 1284 ILE 85 HA -0.0022 0.0017 0.0085 1285 ILE 85 CB -0.0024 0.0048 0.0084 1286 ILE 85 HB -0.0023 0.0063 0.0076 1287 ILE 85 CG2 -0.0032 0.0051 0.0106 1288 ILE 85 HG21 -0.0035 0.0063 0.0112 1289 ILE 85 HG22 -0.0033 0.0057 0.0109 1290 ILE 85 HG23 -0.0034 0.0036 0.0115 1291 ILE 85 CG1 -0.0023 0.0043 0.0080 1292 ILE 85 HG11 -0.0026 0.0056 0.0086 1293 ILE 85 HG12 -0.0017 0.0043 0.0063 1294 ILE 85 CD -0.0024 0.0022 0.0089 1295 ILE 85 HD1 -0.0022 0.0019 0.0084 1296 ILE 85 HD2 -0.0030 0.0023 0.0106 1297 ILE 85 HD3 -0.0022 0.0009 0.0085 1298 ILE 85 C -0.0021 0.0039 0.0076 1299 ILE 85 O -0.0019 0.0055 0.0066 1300 LYS 86 N -0.0066 0.0042 0.0094 1301 LYS 86 HN -0.0081 0.0030 0.0100 1302 LYS 86 CA -0.0060 0.0032 0.0087 1303 LYS 86 HA -0.0048 0.0050 0.0085 1304 LYS 86 CB -0.0045 0.0004 0.0068 1305 LYS 86 HB1 -0.0026 0.0011 0.0059 1306 LYS 86 HB2 -0.0037 -0.0000 0.0062 1307 LYS 86 CG -0.0061 -0.0026 0.0069 1308 LYS 86 HG1 -0.0078 -0.0035 0.0076 1309 LYS 86 HG2 -0.0069 -0.0022 0.0075 1310 LYS 86 CD -0.0042 -0.0049 0.0049 1311 LYS 86 HD1 -0.0026 -0.0040 0.0042 1312 LYS 86 HD2 -0.0031 -0.0051 0.0041 1313 LYS 86 CE -0.0056 -0.0081 0.0048 1314 LYS 86 HE1 -0.0070 -0.0092 0.0053 1315 LYS 86 HE2 -0.0068 -0.0078 0.0056 1316 LYS 86 NZ -0.0036 -0.0100 0.0028 1317 LYS 86 HZ1 -0.0017 -0.0092 0.0019 1318 LYS 86 HZ2 -0.0032 -0.0099 0.0027 1319 LYS 86 HZ3 -0.0043 -0.0123 0.0025 1320 LYS 86 C -0.0086 0.0024 0.0101 1321 LYS 86 O -0.0108 0.0019 0.0114 1322 GLY 87 N -0.0092 0.0030 0.0116 1323 GLY 87 HN -0.0070 0.0024 0.0115 1324 GLY 87 CA -0.0111 0.0018 0.0104 1325 GLY 87 HA1 -0.0103 0.0022 0.0109 1326 GLY 87 HA2 -0.0135 0.0024 0.0105 1327 GLY 87 C -0.0108 -0.0011 0.0084 1328 GLY 87 O -0.0096 -0.0021 0.0078 1329 HIS 88 N -0.0155 -0.0007 0.0096 1330 HIS 88 HN -0.0175 0.0008 0.0100 1331 HIS 88 CA -0.0148 -0.0087 0.0018 1332 HIS 88 HA -0.0189 -0.0077 0.0004 1333 HIS 88 CB -0.0200 -0.0125 -0.0053 1334 HIS 88 HB1 -0.0158 -0.0143 -0.0045 1335 HIS 88 HB2 -0.0274 -0.0080 -0.0052 1336 HIS 88 CD2 -0.0200 -0.0270 -0.0203 1337 HIS 88 HD2 -0.0174 -0.0293 -0.0211 1338 HIS 88 CG -0.0216 -0.0196 -0.0137 1339 HIS 88 NE2 -0.0222 -0.0313 -0.0261 1340 HIS 88 HE2 -0.0214 -0.0370 -0.0316 1341 HIS 88 ND1 -0.0249 -0.0192 -0.0152 1342 HIS 88 HD1 -0.0267 -0.0145 -0.0115 1343 HIS 88 CE1 -0.0250 -0.0264 -0.0228 1344 HIS 88 HE1 -0.0269 -0.0283 -0.0259 1345 HIS 88 C -0.0044 -0.0143 0.0025 1346 HIS 88 O 0.0028 -0.0136 0.0076 1347 HIS 89 N -0.0247 -0.0146 -0.0020 1348 HIS 89 HN -0.0332 -0.0126 -0.0103 1349 HIS 89 CA -0.0142 -0.0214 -0.0017 1350 HIS 89 HA -0.0174 -0.0237 -0.0120 1351 HIS 89 CB 0.0003 -0.0311 -0.0021 1352 HIS 89 HB1 0.0073 -0.0362 -0.0031 1353 HIS 89 HB2 0.0046 -0.0294 0.0084 1354 HIS 89 CD2 0.0034 -0.0392 -0.0158 1355 HIS 89 HD2 0.0071 -0.0376 -0.0066 1356 HIS 89 CG -0.0003 -0.0365 -0.0153 1357 HIS 89 NE2 0.0018 -0.0447 -0.0308 1358 HIS 89 HE2 0.0043 -0.0483 -0.0352 1359 HIS 89 ND1 -0.0042 -0.0402 -0.0297 1360 HIS 89 HD1 -0.0074 -0.0395 -0.0328 1361 HIS 89 CE1 -0.0028 -0.0451 -0.0387 1362 HIS 89 HE1 -0.0047 -0.0492 -0.0510 1363 HIS 89 C -0.0137 -0.0161 0.0112 1364 HIS 89 O -0.0047 -0.0208 0.0140 1365 HIS 90 N -0.0093 -0.0099 0.0078 1366 HIS 90 HN -0.0129 -0.0089 0.0087 1367 HIS 90 CA -0.0062 -0.0083 0.0080 1368 HIS 90 HA -0.0090 -0.0070 0.0089 1369 HIS 90 CB -0.0036 -0.0125 0.0061 1370 HIS 90 HB1 -0.0009 -0.0110 0.0063 1371 HIS 90 HB2 -0.0013 -0.0146 0.0050 1372 HIS 90 CD2 -0.0113 -0.0188 0.0047 1373 HIS 90 HD2 -0.0123 -0.0196 0.0046 1374 HIS 90 CG -0.0076 -0.0157 0.0054 1375 HIS 90 NE2 -0.0142 -0.0210 0.0042 1376 HIS 90 HE2 -0.0172 -0.0234 0.0037 1377 HIS 90 ND1 -0.0079 -0.0162 0.0053 1378 HIS 90 HD1 -0.0054 -0.0149 0.0054 1379 HIS 90 CE1 -0.0120 -0.0194 0.0046 1380 HIS 90 HE1 -0.0132 -0.0206 0.0043 1381 HIS 90 C -0.0027 -0.0038 0.0093 1382 HIS 90 O 0.0007 -0.0027 0.0093 1383 HIS 91 N -0.0035 0.0002 0.0082 1384 HIS 91 HN -0.0051 -0.0004 0.0082 1385 HIS 91 CA -0.0008 0.0033 0.0095 1386 HIS 91 HA 0.0018 0.0028 0.0085 1387 HIS 91 CB 0.0004 0.0042 0.0098 1388 HIS 91 HB1 0.0026 0.0065 0.0107 1389 HIS 91 HB2 -0.0022 0.0047 0.0108 1390 HIS 91 CD2 0.0011 -0.0002 0.0067 1391 HIS 91 HD2 -0.0011 0.0001 0.0075 1392 HIS 91 CG 0.0021 0.0015 0.0076 1393 HIS 91 NE2 0.0035 -0.0027 0.0045 1394 HIS 91 HE2 0.0035 -0.0045 0.0033 1395 HIS 91 ND1 0.0050 0.0002 0.0060 1396 HIS 91 HD1 0.0063 0.0010 0.0062 1397 HIS 91 CE1 0.0058 -0.0023 0.0042 1398 HIS 91 HE1 0.0080 -0.0039 0.0025 1399 HIS 91 C -0.0022 0.0063 0.0118 1400 HIS 91 O -0.0056 0.0066 0.0129 1401 TYR 92 N 0.0004 0.0096 0.0074 1402 TYR 92 HN 0.0009 0.0112 0.0054 1403 TYR 92 CA 0.0007 0.0089 0.0067 1404 TYR 92 HA 0.0003 0.0066 0.0085 1405 TYR 92 CB 0.0021 0.0075 0.0027 1406 TYR 92 HB1 0.0024 0.0074 0.0020 1407 TYR 92 HB2 0.0026 0.0094 0.0007 1408 TYR 92 CG 0.0026 0.0035 0.0023 1409 TYR 92 CD1 0.0029 0.0028 0.0016 1410 TYR 92 HD1 0.0027 0.0052 0.0015 1411 TYR 92 CE1 0.0034 -0.0009 0.0012 1412 TYR 92 HE1 0.0036 -0.0014 0.0009 1413 TYR 92 CZ 0.0036 -0.0040 0.0015 1414 TYR 92 OH 0.0041 -0.0078 0.0013 1415 TYR 92 HH 0.0041 -0.0095 0.0018 1416 TYR 92 CD2 0.0029 0.0004 0.0023 1417 TYR 92 HD2 0.0028 0.0008 0.0028 1418 TYR 92 CE2 0.0034 -0.0034 0.0020 1419 TYR 92 HE2 0.0036 -0.0058 0.0021 1420 TYR 92 C 0.0002 0.0123 0.0072 1421 TYR 92 O 0.0002 0.0155 0.0061 1422 ILE 93 N 0.0023 0.0103 0.0109 1423 ILE 93 HN 0.0024 0.0085 0.0114 1424 ILE 93 CA 0.0027 0.0108 0.0119 1425 ILE 93 HA 0.0029 0.0128 0.0124 1426 ILE 93 CB 0.0034 0.0093 0.0141 1427 ILE 93 HB 0.0032 0.0072 0.0136 1428 ILE 93 CG2 0.0040 0.0097 0.0159 1429 ILE 93 HG21 0.0046 0.0086 0.0176 1430 ILE 93 HG22 0.0042 0.0117 0.0164 1431 ILE 93 HG23 0.0038 0.0090 0.0152 1432 ILE 93 CG1 0.0038 0.0099 0.0153 1433 ILE 93 HG11 0.0041 0.0118 0.0161 1434 ILE 93 HG12 0.0034 0.0099 0.0140 1435 ILE 93 CD 0.0044 0.0080 0.0172 1436 ILE 93 HD1 0.0041 0.0061 0.0165 1437 ILE 93 HD2 0.0047 0.0085 0.0180 1438 ILE 93 HD3 0.0050 0.0079 0.0187 1439 ILE 93 C 0.0020 0.0104 0.0100 1440 ILE 93 O 0.0016 0.0084 0.0090 1441 SER 94 N 0.0040 0.0142 0.0098 1442 SER 94 HN 0.0047 0.0172 0.0118 1443 SER 94 CA 0.0022 0.0143 0.0054 1444 SER 94 HA 0.0015 0.0110 0.0034 1445 SER 94 CB 0.0010 0.0189 0.0026 1446 SER 94 HB1 0.0016 0.0224 0.0042 1447 SER 94 HB2 0.0010 0.0191 0.0027 1448 SER 94 OG -0.0009 0.0187 -0.0021 1449 SER 94 HG1 -0.0009 0.0193 -0.0022 1450 SER 94 C 0.0025 0.0146 0.0061 1451 SER 94 O 0.0035 0.0175 0.0089 1452 ALA 95 N 0.0044 0.0085 0.0024 1453 ALA 95 HN 0.0036 0.0079 0.0017 1454 ALA 95 CA 0.0044 0.0071 0.0021 1455 ALA 95 HA 0.0054 0.0077 0.0029 1456 ALA 95 CB 0.0050 0.0045 0.0019 1457 ALA 95 HB1 0.0039 0.0038 0.0010 1458 ALA 95 HB2 0.0050 0.0034 0.0017 1459 ALA 95 HB3 0.0065 0.0042 0.0029 1460 ALA 95 C 0.0023 0.0074 0.0007 1461 ALA 95 O 0.0009 0.0072 -0.0004 1462 ASP 96 N -0.0007 0.0031 0.0019 1463 ASP 96 HN 0.0002 0.0030 0.0017 1464 ASP 96 CA -0.0041 0.0019 0.0010 1465 ASP 96 HA -0.0055 0.0030 0.0022 1466 ASP 96 CB -0.0061 0.0017 0.0010 1467 ASP 96 HB1 -0.0087 0.0008 0.0003 1468 ASP 96 HB2 -0.0046 0.0007 -0.0001 1469 ASP 96 CG -0.0067 0.0043 0.0036 1470 ASP 96 OD1 -0.0079 0.0043 0.0038 1471 ASP 96 OD2 -0.0060 0.0062 0.0054 1472 ASP 96 C -0.0036 -0.0007 -0.0016 1473 ASP 96 O -0.0007 -0.0016 -0.0027 1474 HIS 97 N -0.0062 -0.0097 0.0021 1475 HIS 97 HN -0.0075 -0.0110 0.0050 1476 HIS 97 CA -0.0051 -0.0081 -0.0024 1477 HIS 97 HA -0.0015 -0.0060 -0.0030 1478 HIS 97 CB -0.0057 -0.0086 -0.0016 1479 HIS 97 HB1 -0.0047 -0.0073 -0.0050 1480 HIS 97 HB2 -0.0094 -0.0107 -0.0011 1481 HIS 97 CD2 0.0019 -0.0055 0.0035 1482 HIS 97 HD2 0.0044 -0.0036 0.0007 1483 HIS 97 CG -0.0027 -0.0079 0.0031 1484 HIS 97 NE2 0.0029 -0.0061 0.0086 1485 HIS 97 HE2 0.0061 -0.0047 0.0105 1486 HIS 97 ND1 -0.0046 -0.0099 0.0076 1487 HIS 97 HD1 -0.0079 -0.0119 0.0083 1488 HIS 97 CE1 -0.0011 -0.0087 0.0109 1489 HIS 97 HE1 -0.0014 -0.0097 0.0149 1490 HIS 97 C -0.0080 -0.0087 -0.0074 1491 HIS 97 O -0.0066 -0.0070 -0.0116 1492 HIS 98 N -0.0120 -0.0048 -0.0042 1493 HIS 98 HN -0.0129 -0.0040 -0.0021 1494 HIS 98 CA -0.0125 -0.0061 -0.0065 1495 HIS 98 HA -0.0103 -0.0062 -0.0080 1496 HIS 98 CB -0.0153 -0.0078 -0.0081 1497 HIS 98 HB1 -0.0175 -0.0077 -0.0065 1498 HIS 98 HB2 -0.0149 -0.0082 -0.0091 1499 HIS 98 CD2 -0.0184 -0.0103 -0.0110 1500 HIS 98 HD2 -0.0207 -0.0104 -0.0098 1501 HIS 98 CG -0.0158 -0.0093 -0.0105 1502 HIS 98 NE2 -0.0175 -0.0114 -0.0136 1503 HIS 98 HE2 -0.0189 -0.0123 -0.0146 1504 HIS 98 ND1 -0.0133 -0.0096 -0.0127 1505 HIS 98 HD1 -0.0111 -0.0090 -0.0129 1506 HIS 98 CE1 -0.0144 -0.0109 -0.0145 1507 HIS 98 HE1 -0.0131 -0.0114 -0.0165 1508 HIS 98 C -0.0130 -0.0056 -0.0052 1509 HIS 98 O -0.0140 -0.0046 -0.0026 1510 GLY 99 N -0.0132 -0.0059 -0.0076 1511 GLY 99 HN -0.0121 -0.0064 -0.0115 1512 GLY 99 CA -0.0143 -0.0061 -0.0065 1513 GLY 99 HA1 -0.0178 -0.0070 -0.0037 1514 GLY 99 HA2 -0.0147 -0.0073 -0.0105 1515 GLY 99 C -0.0101 -0.0034 -0.0040 1516 GLY 99 O -0.0057 -0.0013 -0.0038 1517 HIS 100 N -0.0049 0.0031 0.0003 1518 HIS 100 HN -0.0077 0.0017 0.0002 1519 HIS 100 CA -0.0037 0.0031 0.0022 1520 HIS 100 HA -0.0026 0.0044 -0.0001 1521 HIS 100 CB -0.0072 0.0010 0.0035 1522 HIS 100 HB1 -0.0063 0.0010 0.0048 1523 HIS 100 HB2 -0.0084 -0.0004 0.0057 1524 HIS 100 CD2 -0.0101 0.0018 -0.0036 1525 HIS 100 HD2 -0.0076 0.0034 -0.0049 1526 HIS 100 CG -0.0102 0.0006 0.0000 1527 HIS 100 NE2 -0.0138 0.0005 -0.0054 1528 HIS 100 HE2 -0.0147 0.0009 -0.0080 1529 HIS 100 ND1 -0.0139 -0.0015 0.0005 1530 HIS 100 HD1 -0.0149 -0.0027 0.0029 1531 HIS 100 CE1 -0.0160 -0.0014 -0.0028 1532 HIS 100 HE1 -0.0191 -0.0027 -0.0034 1533 HIS 100 C -0.0007 0.0033 0.0060 1534 HIS 100 O -0.0010 0.0022 0.0089 1535 VAL 101 N 0.0004 0.0059 0.0080 1536 VAL 101 HN 0.0020 0.0053 0.0072 1537 VAL 101 CA 0.0017 0.0071 0.0100 1538 VAL 101 HA 0.0006 0.0070 0.0097 1539 VAL 101 CB 0.0052 0.0067 0.0096 1540 VAL 101 HB 0.0063 0.0066 0.0095 1541 VAL 101 CG1 0.0070 0.0080 0.0117 1542 VAL 101 HG11 0.0068 0.0092 0.0137 1543 VAL 101 HG12 0.0061 0.0080 0.0118 1544 VAL 101 HG13 0.0095 0.0075 0.0113 1545 VAL 101 CG2 0.0057 0.0049 0.0069 1546 VAL 101 HG21 0.0046 0.0050 0.0069 1547 VAL 101 HG22 0.0046 0.0039 0.0053 1548 VAL 101 HG23 0.0082 0.0045 0.0066 1549 VAL 101 C 0.0010 0.0090 0.0128 1550 VAL 101 O 0.0008 0.0093 0.0133 1551 SER 102 N 0.0031 0.0116 0.0143 1552 SER 102 HN 0.0026 0.0108 0.0134 1553 SER 102 CA 0.0028 0.0139 0.0156 1554 SER 102 HA 0.0038 0.0145 0.0166 1555 SER 102 CB 0.0003 0.0153 0.0150 1556 SER 102 HB1 -0.0002 0.0148 0.0144 1557 SER 102 HB2 0.0002 0.0170 0.0161 1558 SER 102 OG -0.0012 0.0149 0.0138 1559 SER 102 HG1 -0.0017 0.0137 0.0127 1560 SER 102 C 0.0035 0.0144 0.0164 1561 SER 102 O 0.0051 0.0131 0.0166 1562 THR 103 N 0.0003 0.0189 0.0145 1563 THR 103 HN 0.0000 0.0204 0.0138 1564 THR 103 CA 0.0002 0.0181 0.0142 1565 THR 103 HA -0.0000 0.0163 0.0138 1566 THR 103 CB 0.0008 0.0184 0.0163 1567 THR 103 HB 0.0013 0.0176 0.0177 1568 THR 103 OG1 0.0007 0.0174 0.0161 1569 THR 103 HG1 0.0012 0.0174 0.0175 1570 THR 103 CG2 0.0011 0.0210 0.0168 1571 THR 103 HG21 0.0016 0.0211 0.0184 1572 THR 103 HG22 0.0011 0.0218 0.0170 1573 THR 103 HG23 0.0006 0.0219 0.0155 1574 THR 103 C -0.0005 0.0193 0.0123 1575 THR 103 O -0.0006 0.0213 0.0119 1576 LYS 104 N -0.0038 0.0244 0.0083 1577 LYS 104 HN -0.0025 0.0199 0.0092 1578 LYS 104 CA -0.0038 0.0257 0.0045 1579 LYS 104 HA -0.0053 0.0296 0.0067 1580 LYS 104 CB -0.0036 0.0276 -0.0027 1581 LYS 104 HB1 -0.0049 0.0317 -0.0026 1582 LYS 104 HB2 -0.0039 0.0293 -0.0052 1583 LYS 104 CG -0.0017 0.0227 -0.0069 1584 LYS 104 HG1 -0.0004 0.0191 -0.0080 1585 LYS 104 HG2 -0.0012 0.0204 -0.0041 1586 LYS 104 CD -0.0018 0.0254 -0.0134 1587 LYS 104 HD1 -0.0029 0.0286 -0.0123 1588 LYS 104 HD2 -0.0024 0.0282 -0.0158 1589 LYS 104 CE 0.0003 0.0205 -0.0181 1590 LYS 104 HE1 0.0014 0.0172 -0.0190 1591 LYS 104 HE2 0.0009 0.0178 -0.0159 1592 LYS 104 NZ 0.0002 0.0230 -0.0245 1593 LYS 104 HZ1 0.0016 0.0195 -0.0279 1594 LYS 104 HZ2 -0.0009 0.0269 -0.0260 1595 LYS 104 HZ3 -0.0001 0.0239 -0.0249 1596 LYS 104 C -0.0022 0.0204 0.0049 1597 LYS 104 O -0.0008 0.0151 0.0068 1598 GLU 105 N 0.0003 0.0134 0.0003 1599 GLU 105 HN 0.0013 0.0158 -0.0007 1600 GLU 105 CA 0.0001 0.0097 -0.0014 1601 GLU 105 HA -0.0014 0.0076 0.0006 1602 GLU 105 CB 0.0009 0.0101 -0.0029 1603 GLU 105 HB1 0.0024 0.0123 -0.0051 1604 GLU 105 HB2 0.0002 0.0114 -0.0006 1605 GLU 105 CG 0.0007 0.0062 -0.0047 1606 GLU 105 HG1 -0.0008 0.0040 -0.0026 1607 GLU 105 HG2 0.0015 0.0050 -0.0072 1608 GLU 105 CD 0.0013 0.0067 -0.0058 1609 GLU 105 OE1 0.0001 0.0060 -0.0035 1610 GLU 105 OE2 0.0030 0.0078 -0.0090 1611 GLU 105 C 0.0011 0.0081 -0.0045 1612 GLU 105 O 0.0026 0.0103 -0.0066 1613 HIS 106 N -0.0026 0.0135 0.0015 1614 HIS 106 HN 0.0049 0.0148 0.0078 1615 HIS 106 CA 0.0014 0.0100 -0.0039 1616 HIS 106 HA 0.0103 0.0113 0.0030 1617 HIS 106 CB -0.0100 0.0126 -0.0039 1618 HIS 106 HB1 -0.0053 0.0098 -0.0074 1619 HIS 106 HB2 -0.0197 0.0115 -0.0107 1620 HIS 106 CD2 -0.0273 0.0256 0.0148 1621 HIS 106 HD2 -0.0376 0.0255 0.0098 1622 HIS 106 CG -0.0143 0.0202 0.0099 1623 HIS 106 NE2 -0.0250 0.0316 0.0283 1624 HIS 106 HE2 -0.0317 0.0365 0.0352 1625 HIS 106 ND1 -0.0038 0.0227 0.0198 1626 HIS 106 HD1 0.0066 0.0199 0.0191 1627 HIS 106 CE1 -0.0107 0.0296 0.0308 1628 HIS 106 HE1 -0.0056 0.0332 0.0407 1629 HIS 106 C 0.0075 0.0020 -0.0174 1630 HIS 106 O 0.0025 -0.0012 -0.0265 1631 HIS 107 N 0.0070 0.0032 -0.0146 1632 HIS 107 HN 0.0076 -0.0006 -0.0151 1633 HIS 107 CA 0.0073 0.0022 -0.0152 1634 HIS 107 HA 0.0055 0.0040 -0.0114 1635 HIS 107 CB 0.0082 -0.0051 -0.0153 1636 HIS 107 HB1 0.0099 -0.0072 -0.0188 1637 HIS 107 HB2 0.0066 -0.0075 -0.0110 1638 HIS 107 CD2 0.0114 -0.0080 -0.0219 1639 HIS 107 HD2 0.0132 -0.0086 -0.0261 1640 HIS 107 CG 0.0089 -0.0065 -0.0167 1641 HIS 107 NE2 0.0110 -0.0085 -0.0209 1642 HIS 107 HE2 0.0123 -0.0091 -0.0239 1643 HIS 107 ND1 0.0070 -0.0061 -0.0124 1644 HIS 107 HD1 0.0051 -0.0052 -0.0082 1645 HIS 107 CE1 0.0083 -0.0074 -0.0151 1646 HIS 107 HE1 0.0075 -0.0073 -0.0131 1647 HIS 107 C 0.0092 0.0056 -0.0205 1648 HIS 107 O 0.0112 0.0060 -0.0253 1649 ASP 108 N 0.0059 0.0021 -0.0211 1650 ASP 108 HN 0.0053 0.0013 -0.0169 1651 ASP 108 CA 0.0063 0.0051 -0.0270 1652 ASP 108 HA 0.0076 0.0032 -0.0316 1653 ASP 108 CB 0.0044 0.0129 -0.0268 1654 ASP 108 HB1 0.0031 0.0150 -0.0226 1655 ASP 108 HB2 0.0040 0.0138 -0.0257 1656 ASP 108 CG 0.0047 0.0169 -0.0334 1657 ASP 108 OD1 0.0063 0.0140 -0.0382 1658 ASP 108 OD2 0.0033 0.0231 -0.0335 1659 ASP 108 C 0.0068 0.0031 -0.0268 1660 ASP 108 O 0.0064 0.0005 -0.0218 1661 HIS 109 N 0.0087 0.0044 -0.0296 1662 HIS 109 HN 0.0114 0.0069 -0.0340 1663 HIS 109 CA 0.0080 0.0068 -0.0285 1664 HIS 109 HA 0.0061 0.0018 -0.0253 1665 HIS 109 CB 0.0124 0.0077 -0.0356 1666 HIS 109 HB1 0.0118 0.0114 -0.0347 1667 HIS 109 HB2 0.0148 0.0112 -0.0397 1668 HIS 109 CD2 0.0183 -0.0051 -0.0445 1669 HIS 109 HD2 0.0210 -0.0031 -0.0490 1670 HIS 109 CG 0.0143 -0.0010 -0.0383 1671 HIS 109 NE2 0.0185 -0.0131 -0.0445 1672 HIS 109 HE2 0.0210 -0.0174 -0.0484 1673 HIS 109 ND1 0.0120 -0.0064 -0.0344 1674 HIS 109 HD1 0.0089 -0.0053 -0.0295 1675 HIS 109 CE1 0.0147 -0.0136 -0.0383 1676 HIS 109 HE1 0.0137 -0.0192 -0.0365 1677 HIS 109 C 0.0048 0.0147 -0.0237 1678 HIS 109 O 0.0025 0.0157 -0.0202 1679 ASP 110 N 0.0013 0.0071 -0.0198 1680 ASP 110 HN 0.0005 0.0091 -0.0221 1681 ASP 110 CA 0.0020 0.0102 -0.0161 1682 ASP 110 HA 0.0019 0.0096 -0.0166 1683 ASP 110 CB 0.0013 0.0161 -0.0164 1684 ASP 110 HB1 0.0019 0.0184 -0.0132 1685 ASP 110 HB2 0.0013 0.0166 -0.0163 1686 ASP 110 CG -0.0002 0.0187 -0.0211 1687 ASP 110 OD1 -0.0008 0.0163 -0.0240 1688 ASP 110 OD2 -0.0008 0.0234 -0.0214 1689 ASP 110 C 0.0036 0.0090 -0.0106 1690 ASP 110 O 0.0044 0.0101 -0.0072 1691 THR 111 N 0.0030 0.0102 -0.0091 1692 THR 111 HN 0.0034 0.0089 -0.0116 1693 THR 111 CA 0.0026 0.0086 -0.0049 1694 THR 111 HA 0.0021 0.0105 -0.0025 1695 THR 111 CB 0.0025 0.0084 -0.0040 1696 THR 111 HB 0.0021 0.0078 -0.0005 1697 THR 111 OG1 0.0031 0.0051 -0.0063 1698 THR 111 HG1 0.0032 0.0024 -0.0050 1699 THR 111 CG2 0.0022 0.0127 -0.0053 1700 THR 111 HG21 0.0026 0.0134 -0.0088 1701 THR 111 HG22 0.0021 0.0127 -0.0047 1702 THR 111 HG23 0.0017 0.0154 -0.0035 1703 THR 111 C 0.0029 0.0041 -0.0042 1704 THR 111 O 0.0027 0.0018 -0.0011 1705 THR 112 N 0.0041 0.0030 -0.0079 1706 THR 112 HN 0.0050 0.0044 -0.0087 1707 THR 112 CA 0.0021 -0.0001 -0.0075 1708 THR 112 HA 0.0012 -0.0013 -0.0062 1709 THR 112 CB 0.0012 -0.0018 -0.0109 1710 THR 112 HB 0.0019 -0.0007 -0.0122 1711 THR 112 OG1 0.0013 -0.0018 -0.0135 1712 THR 112 HG1 0.0026 0.0003 -0.0142 1713 THR 112 CG2 -0.0010 -0.0051 -0.0104 1714 THR 112 HG21 -0.0017 -0.0062 -0.0090 1715 THR 112 HG22 -0.0016 -0.0063 -0.0130 1716 THR 112 HG23 -0.0012 -0.0054 -0.0086 1717 THR 112 C 0.0019 -0.0002 -0.0051 1718 THR 112 O 0.0030 0.0015 -0.0056 1719 PHE 113 N 0.0017 -0.0046 -0.0021 1720 PHE 113 HN 0.0020 -0.0053 -0.0012 1721 PHE 113 CA 0.0021 -0.0056 -0.0008 1722 PHE 113 HA 0.0017 -0.0050 -0.0021 1723 PHE 113 CB 0.0035 -0.0045 0.0022 1724 PHE 113 HB1 0.0038 -0.0051 0.0031 1725 PHE 113 HB2 0.0039 -0.0056 0.0036 1726 PHE 113 CG 0.0040 -0.0012 0.0023 1727 PHE 113 CD1 0.0049 0.0000 0.0041 1728 PHE 113 HD1 0.0053 -0.0014 0.0054 1729 PHE 113 CE1 0.0054 0.0031 0.0041 1730 PHE 113 HE1 0.0061 0.0041 0.0054 1731 PHE 113 CZ 0.0050 0.0051 0.0023 1732 PHE 113 HZ 0.0053 0.0074 0.0022 1733 PHE 113 CD2 0.0036 0.0008 0.0005 1734 PHE 113 HD2 0.0029 -0.0002 -0.0009 1735 PHE 113 CE2 0.0041 0.0039 0.0005 1736 PHE 113 HE2 0.0037 0.0053 -0.0009 1737 PHE 113 C 0.0017 -0.0090 -0.0006 1738 PHE 113 O 0.0013 -0.0103 -0.0010 1739 GLU 114 N 0.0035 -0.0118 0.0003 1740 GLU 114 HN 0.0047 -0.0126 0.0011 1741 GLU 114 CA 0.0020 -0.0136 0.0011 1742 GLU 114 HA 0.0016 -0.0125 0.0003 1743 GLU 114 CB -0.0012 -0.0150 0.0013 1744 GLU 114 HB1 -0.0023 -0.0164 0.0019 1745 GLU 114 HB2 -0.0007 -0.0163 0.0022 1746 GLU 114 CG -0.0035 -0.0131 -0.0006 1747 GLU 114 HG1 -0.0027 -0.0119 -0.0011 1748 GLU 114 HG2 -0.0038 -0.0117 -0.0016 1749 GLU 114 CD -0.0067 -0.0146 -0.0004 1750 GLU 114 OE1 -0.0090 -0.0132 -0.0018 1751 GLU 114 OE2 -0.0070 -0.0171 0.0012 1752 GLU 114 C 0.0041 -0.0157 0.0030 1753 GLU 114 O 0.0062 -0.0161 0.0039 1754 GLU 115 N 0.0062 -0.0136 0.0048 1755 GLU 115 HN 0.0055 -0.0120 0.0049 1756 GLU 115 CA 0.0052 -0.0122 0.0039 1757 GLU 115 HA 0.0052 -0.0137 0.0014 1758 GLU 115 CB 0.0032 -0.0086 0.0031 1759 GLU 115 HB1 0.0024 -0.0073 0.0028 1760 GLU 115 HB2 0.0032 -0.0071 0.0054 1761 GLU 115 CG 0.0020 -0.0084 -0.0004 1762 GLU 115 HG1 0.0026 -0.0097 -0.0003 1763 GLU 115 HG2 0.0018 -0.0096 -0.0027 1764 GLU 115 CD -0.0000 -0.0048 -0.0010 1765 GLU 115 OE1 -0.0009 -0.0028 -0.0008 1766 GLU 115 OE2 -0.0007 -0.0039 -0.0018 1767 GLU 115 C 0.0061 -0.0123 0.0066 1768 GLU 115 O 0.0072 -0.0123 0.0098 1769 ILE 116 N 0.0043 -0.0098 0.0075 1770 ILE 116 HN 0.0041 -0.0098 0.0054 1771 ILE 116 CA 0.0043 -0.0103 0.0077 1772 ILE 116 HA 0.0045 -0.0105 0.0101 1773 ILE 116 CB 0.0041 -0.0132 0.0060 1774 ILE 116 HB 0.0039 -0.0131 0.0036 1775 ILE 116 CG2 0.0042 -0.0160 0.0077 1776 ILE 116 HG21 0.0042 -0.0157 0.0080 1777 ILE 116 HG22 0.0040 -0.0182 0.0063 1778 ILE 116 HG23 0.0044 -0.0163 0.0100 1779 ILE 116 CG1 0.0040 -0.0136 0.0057 1780 ILE 116 HG11 0.0043 -0.0137 0.0081 1781 ILE 116 HG12 0.0040 -0.0115 0.0046 1782 ILE 116 CD 0.0038 -0.0164 0.0038 1783 ILE 116 HD1 0.0036 -0.0163 0.0014 1784 ILE 116 HD2 0.0038 -0.0165 0.0036 1785 ILE 116 HD3 0.0038 -0.0186 0.0049 1786 ILE 116 C 0.0043 -0.0074 0.0065 1787 ILE 116 O 0.0041 -0.0062 0.0040 1788 ILE 117 N 0.0101 0.0039 0.0122 1789 ILE 117 HN 0.0140 0.0001 0.0210 1790 ILE 117 CA 0.0041 0.0168 0.0130 1791 ILE 117 HA 0.0001 0.0213 0.0048 1792 ILE 117 CB 0.0038 0.0243 0.0263 1793 ILE 117 HB 0.0084 0.0190 0.0350 1794 ILE 117 CG2 -0.0019 0.0373 0.0283 1795 ILE 117 HG21 -0.0022 0.0427 0.0376 1796 ILE 117 HG22 -0.0012 0.0363 0.0294 1797 ILE 117 HG23 -0.0066 0.0428 0.0196 1798 ILE 117 CG1 0.0030 0.0262 0.0267 1799 ILE 117 HG11 0.0002 0.0268 0.0163 1800 ILE 117 HG12 0.0000 0.0354 0.0326 1801 ILE 117 CD 0.0094 0.0161 0.0336 1802 ILE 117 HD1 0.0125 0.0067 0.0279 1803 ILE 117 HD2 0.0121 0.0157 0.0441 1804 ILE 117 HD3 0.0084 0.0186 0.0341 1805 ILE 117 C 0.0034 0.0172 0.0106 1806 ILE 117 O 0.0080 0.0102 0.0161 1807 ILE 118 N 0.0195 0.0202 0.0010 1808 ILE 118 HN 0.0243 0.0253 0.0035 1809 ILE 118 CA 0.0254 0.0352 -0.0346 1810 ILE 118 HA 0.0097 0.0122 -0.0150 1811 ILE 118 CB 0.0142 0.0186 -0.0195 1812 ILE 118 HB 0.0208 0.0262 -0.0189 1813 ILE 118 CG2 0.0100 0.0170 -0.0348 1814 ILE 118 HG21 0.0085 0.0163 -0.0390 1815 ILE 118 HG22 0.0147 0.0239 -0.0407 1816 ILE 118 HG23 0.0036 0.0098 -0.0360 1817 ILE 118 CG1 0.0084 0.0100 -0.0117 1818 ILE 118 HG11 0.0074 0.0099 -0.0168 1819 ILE 118 HG12 0.0122 0.0121 -0.0013 1820 ILE 118 CD -0.0008 -0.0012 -0.0102 1821 ILE 118 HD1 -0.0044 -0.0068 -0.0042 1822 ILE 118 HD2 -0.0051 -0.0040 -0.0204 1823 ILE 118 HD3 -0.0001 -0.0016 -0.0049 1824 ILE 118 C 0.0227 0.0287 -0.0201 1825 ILE 118 OT1 0.0307 0.0377 -0.0182 1826 ILE 118 OT2 0.0271 0.0311 -0.0071