1 ASN 3 N 0.0223 -0.0194 0.0210 2 ASN 3 HN 0.0236 -0.0198 0.0202 3 ASN 3 CA 0.0221 -0.0175 0.0217 4 ASN 3 HA 0.0209 -0.0169 0.0225 5 ASN 3 CB 0.0239 -0.0159 0.0212 6 ASN 3 HB1 0.0237 -0.0144 0.0217 7 ASN 3 HB2 0.0251 -0.0165 0.0203 8 ASN 3 CG 0.0242 -0.0153 0.0212 9 ASN 3 OD1 0.0234 -0.0139 0.0221 10 ASN 3 ND2 0.0254 -0.0162 0.0203 11 ASN 3 HD21 0.0256 -0.0159 0.0203 12 ASN 3 HD22 0.0258 -0.0175 0.0196 13 ASN 3 C 0.0216 -0.0178 0.0219 14 ASN 3 O 0.0216 -0.0195 0.0214 15 ARG 4 N 0.0134 -0.0117 0.0105 16 ARG 4 HN 0.0133 -0.0092 0.0126 17 ARG 4 CA 0.0138 -0.0141 0.0085 18 ARG 4 HA 0.0132 -0.0168 0.0062 19 ARG 4 CB 0.0102 -0.0127 0.0089 20 ARG 4 HB1 0.0102 -0.0148 0.0071 21 ARG 4 HB2 0.0112 -0.0103 0.0112 22 ARG 4 CG 0.0053 -0.0117 0.0086 23 ARG 4 HG1 0.0031 -0.0108 0.0089 24 ARG 4 HG2 0.0052 -0.0093 0.0106 25 ARG 4 CD 0.0034 -0.0147 0.0056 26 ARG 4 HD1 0.0054 -0.0155 0.0054 27 ARG 4 HD2 0.0034 -0.0170 0.0036 28 ARG 4 NE -0.0015 -0.0132 0.0058 29 ARG 4 HE -0.0029 -0.0111 0.0072 30 ARG 4 CZ -0.0038 -0.0142 0.0043 31 ARG 4 NH1 -0.0021 -0.0168 0.0025 32 ARG 4 HH11 0.0012 -0.0177 0.0026 33 ARG 4 HH12 -0.0038 -0.0173 0.0017 34 ARG 4 NH2 -0.0080 -0.0126 0.0047 35 ARG 4 HH21 -0.0097 -0.0134 0.0036 36 ARG 4 HH22 -0.0092 -0.0106 0.0061 37 ARG 4 C 0.0184 -0.0145 0.0093 38 ARG 4 O 0.0196 -0.0170 0.0074 39 ALA 5 N 0.0168 -0.0104 0.0191 40 ALA 5 HN 0.0173 -0.0094 0.0192 41 ALA 5 CA 0.0174 -0.0106 0.0193 42 ALA 5 HA 0.0166 -0.0115 0.0192 43 ALA 5 CB 0.0174 -0.0089 0.0191 44 ALA 5 HB1 0.0178 -0.0090 0.0193 45 ALA 5 HB2 0.0161 -0.0085 0.0187 46 ALA 5 HB3 0.0181 -0.0079 0.0192 47 ALA 5 C 0.0191 -0.0112 0.0200 48 ALA 5 O 0.0200 -0.0108 0.0202 49 PHE 6 N 0.0163 -0.0085 0.0208 50 PHE 6 HN 0.0160 -0.0079 0.0211 51 PHE 6 CA 0.0164 -0.0085 0.0203 52 PHE 6 HA 0.0168 -0.0091 0.0199 53 PHE 6 CB 0.0163 -0.0086 0.0210 54 PHE 6 HB1 0.0163 -0.0084 0.0206 55 PHE 6 HB2 0.0160 -0.0081 0.0216 56 PHE 6 CG 0.0167 -0.0095 0.0215 57 PHE 6 CD1 0.0167 -0.0098 0.0223 58 PHE 6 HD1 0.0165 -0.0093 0.0226 59 PHE 6 CE1 0.0171 -0.0106 0.0227 60 PHE 6 HE1 0.0171 -0.0109 0.0233 61 PHE 6 CZ 0.0175 -0.0113 0.0223 62 PHE 6 HZ 0.0178 -0.0119 0.0225 63 PHE 6 CD2 0.0171 -0.0101 0.0211 64 PHE 6 HD2 0.0171 -0.0099 0.0205 65 PHE 6 CE2 0.0175 -0.0110 0.0215 66 PHE 6 HE2 0.0178 -0.0115 0.0212 67 PHE 6 C 0.0162 -0.0078 0.0195 68 PHE 6 O 0.0158 -0.0071 0.0196 69 LYS 7 N 0.0138 -0.0056 0.0209 70 LYS 7 HN 0.0155 -0.0066 0.0215 71 LYS 7 CA 0.0116 -0.0047 0.0185 72 LYS 7 HA 0.0098 -0.0035 0.0183 73 LYS 7 CB 0.0124 -0.0061 0.0150 74 LYS 7 HB1 0.0129 -0.0066 0.0140 75 LYS 7 HB2 0.0106 -0.0052 0.0133 76 LYS 7 CG 0.0151 -0.0079 0.0148 77 LYS 7 HG1 0.0149 -0.0074 0.0164 78 LYS 7 HG2 0.0170 -0.0090 0.0158 79 LYS 7 CD 0.0153 -0.0089 0.0112 80 LYS 7 HD1 0.0159 -0.0096 0.0096 81 LYS 7 HD2 0.0132 -0.0077 0.0101 82 LYS 7 CE 0.0173 -0.0103 0.0110 83 LYS 7 HE1 0.0170 -0.0107 0.0084 84 LYS 7 HE2 0.0169 -0.0096 0.0128 85 LYS 7 NZ 0.0203 -0.0122 0.0117 86 LYS 7 HZ1 0.0210 -0.0131 0.0097 87 LYS 7 HZ2 0.0207 -0.0119 0.0137 88 LYS 7 HZ3 0.0215 -0.0128 0.0123 89 LYS 7 C 0.0104 -0.0036 0.0196 90 LYS 7 O 0.0118 -0.0041 0.0216 91 SER 8 N 0.0032 0.0007 0.0152 92 SER 8 HN 0.0028 0.0005 0.0145 93 SER 8 CA 0.0015 0.0032 0.0146 94 SER 8 HA 0.0018 0.0028 0.0148 95 SER 8 CB 0.0015 0.0062 0.0165 96 SER 8 HB1 0.0031 0.0061 0.0185 97 SER 8 HB2 0.0003 0.0080 0.0161 98 SER 8 OG 0.0011 0.0068 0.0163 99 SER 8 HG1 0.0022 0.0053 0.0168 100 SER 8 C -0.0006 0.0032 0.0119 101 SER 8 O -0.0009 0.0017 0.0107 102 HIS 9 N -0.0021 0.0043 0.0104 103 HIS 9 HN -0.0019 0.0051 0.0117 104 HIS 9 CA -0.0040 0.0052 0.0064 105 HIS 9 HA -0.0046 0.0058 0.0055 106 HIS 9 CB -0.0056 0.0090 0.0062 107 HIS 9 HB1 -0.0071 0.0097 0.0032 108 HIS 9 HB2 -0.0050 0.0088 0.0075 109 HIS 9 CD2 -0.0056 0.0146 0.0121 110 HIS 9 HD2 -0.0048 0.0144 0.0140 111 HIS 9 CG -0.0060 0.0124 0.0086 112 HIS 9 NE2 -0.0062 0.0170 0.0129 113 HIS 9 HE2 -0.0060 0.0189 0.0154 114 HIS 9 ND1 -0.0070 0.0135 0.0073 115 HIS 9 HD1 -0.0075 0.0124 0.0047 116 HIS 9 CE1 -0.0071 0.0163 0.0100 117 HIS 9 HE1 -0.0077 0.0178 0.0099 118 HIS 9 C -0.0039 0.0018 0.0033 119 HIS 9 O -0.0031 -0.0011 0.0024 120 HIS 10 N -0.0098 -0.0047 -0.0055 121 HIS 10 HN -0.0083 0.0038 -0.0018 122 HIS 10 CA -0.0105 -0.0093 -0.0095 123 HIS 10 HA -0.0117 -0.0172 -0.0159 124 HIS 10 CB -0.0079 0.0011 -0.0160 125 HIS 10 HB1 -0.0085 -0.0028 -0.0194 126 HIS 10 HB2 -0.0068 0.0087 -0.0090 127 HIS 10 CD2 -0.0033 0.0190 -0.0288 128 HIS 10 HD2 -0.0021 0.0268 -0.0222 129 HIS 10 CG -0.0059 0.0070 -0.0271 130 HIS 10 NE2 -0.0023 0.0198 -0.0415 131 HIS 10 HE2 -0.0004 0.0274 -0.0459 132 HIS 10 ND1 -0.0066 0.0003 -0.0383 133 HIS 10 HD1 -0.0084 -0.0087 -0.0398 134 HIS 10 CE1 -0.0043 0.0082 -0.0467 135 HIS 10 HE1 -0.0041 0.0060 -0.0567 136 HIS 10 C -0.0121 -0.0134 0.0018 137 HIS 10 O -0.0125 -0.0158 0.0005 138 GLY 11 N -0.0013 -0.0052 0.0050 139 GLY 11 HN -0.0012 -0.0030 0.0073 140 GLY 11 CA 0.0011 -0.0085 0.0066 141 GLY 11 HA1 0.0008 -0.0107 0.0038 142 GLY 11 HA2 0.0031 -0.0104 0.0085 143 GLY 11 C 0.0018 -0.0063 0.0099 144 GLY 11 O 0.0039 -0.0088 0.0117 145 HIS 12 N -0.0002 -0.0001 0.0114 146 HIS 12 HN -0.0013 0.0012 0.0100 147 HIS 12 CA -0.0003 0.0020 0.0141 148 HIS 12 HA -0.0001 0.0014 0.0137 149 HIS 12 CB -0.0021 0.0058 0.0140 150 HIS 12 HB1 -0.0019 0.0073 0.0164 151 HIS 12 HB2 -0.0023 0.0064 0.0140 152 HIS 12 CD2 -0.0051 0.0101 0.0110 153 HIS 12 HD2 -0.0053 0.0121 0.0132 154 HIS 12 CG -0.0037 0.0072 0.0110 155 HIS 12 NE2 -0.0063 0.0102 0.0077 156 HIS 12 HE2 -0.0074 0.0120 0.0068 157 HIS 12 ND1 -0.0040 0.0054 0.0077 158 HIS 12 HD1 -0.0033 0.0032 0.0069 159 HIS 12 CE1 -0.0056 0.0073 0.0058 160 HIS 12 HE1 -0.0062 0.0066 0.0030 161 HIS 12 C 0.0014 0.0013 0.0178 162 HIS 12 O 0.0020 0.0004 0.0185 163 PHE 13 N 0.0056 0.0003 0.0182 164 PHE 13 HN 0.0049 0.0008 0.0175 165 PHE 13 CA 0.0072 -0.0004 0.0206 166 PHE 13 HA 0.0082 -0.0016 0.0206 167 PHE 13 CB 0.0082 -0.0015 0.0207 168 PHE 13 HB1 0.0095 -0.0023 0.0223 169 PHE 13 HB2 0.0073 -0.0003 0.0209 170 PHE 13 CG 0.0085 -0.0032 0.0182 171 PHE 13 CD1 0.0096 -0.0050 0.0175 172 PHE 13 HD1 0.0102 -0.0052 0.0187 173 PHE 13 CE1 0.0098 -0.0066 0.0152 174 PHE 13 HE1 0.0107 -0.0079 0.0146 175 PHE 13 CZ 0.0090 -0.0064 0.0135 176 PHE 13 HZ 0.0091 -0.0076 0.0117 177 PHE 13 CD2 0.0076 -0.0030 0.0165 178 PHE 13 HD2 0.0067 -0.0016 0.0170 179 PHE 13 CE2 0.0078 -0.0046 0.0142 180 PHE 13 HE2 0.0071 -0.0044 0.0129 181 PHE 13 C 0.0068 0.0015 0.0229 182 PHE 13 O 0.0053 0.0034 0.0230 183 LEU 14 N 0.0024 -0.0005 0.0152 184 LEU 14 HN 0.0029 -0.0010 0.0151 185 LEU 14 CA 0.0032 0.0010 0.0162 186 LEU 14 HA 0.0022 0.0018 0.0161 187 LEU 14 CB 0.0037 0.0025 0.0170 188 LEU 14 HB1 0.0043 0.0038 0.0177 189 LEU 14 HB2 0.0049 0.0019 0.0170 190 LEU 14 CG 0.0018 0.0034 0.0167 191 LEU 14 HG 0.0013 0.0022 0.0160 192 LEU 14 CD1 0.0024 0.0049 0.0176 193 LEU 14 HD11 0.0029 0.0062 0.0183 194 LEU 14 HD12 0.0011 0.0054 0.0174 195 LEU 14 HD13 0.0036 0.0043 0.0177 196 LEU 14 CD2 0.0001 0.0042 0.0165 197 LEU 14 HD21 -0.0005 0.0031 0.0158 198 LEU 14 HD22 -0.0012 0.0049 0.0164 199 LEU 14 HD23 0.0005 0.0053 0.0171 200 LEU 14 C 0.0051 0.0003 0.0164 201 LEU 14 O 0.0064 -0.0009 0.0163 202 SER 15 N 0.0000 0.0003 0.0108 203 SER 15 HN 0.0001 -0.0004 0.0111 204 SER 15 CA 0.0000 0.0001 0.0098 205 SER 15 HA -0.0001 0.0009 0.0093 206 SER 15 CB 0.0001 -0.0003 0.0102 207 SER 15 HB1 0.0001 -0.0006 0.0094 208 SER 15 HB2 0.0002 -0.0011 0.0108 209 SER 15 OG -0.0000 0.0007 0.0108 210 SER 15 HG1 -0.0001 0.0011 0.0112 211 SER 15 C 0.0002 -0.0008 0.0089 212 SER 15 O 0.0003 -0.0016 0.0092 213 ALA 16 N -0.0044 -0.0023 -0.0015 214 ALA 16 HN -0.0046 -0.0015 -0.0018 215 ALA 16 CA -0.0050 -0.0033 -0.0021 216 ALA 16 HA -0.0048 -0.0042 -0.0017 217 ALA 16 CB -0.0055 -0.0031 -0.0028 218 ALA 16 HB1 -0.0051 -0.0031 -0.0023 219 ALA 16 HB2 -0.0058 -0.0022 -0.0032 220 ALA 16 HB3 -0.0060 -0.0039 -0.0033 221 ALA 16 C -0.0056 -0.0034 -0.0028 222 ALA 16 O -0.0058 -0.0025 -0.0032 223 GLU 17 N -0.0120 0.0022 -0.0042 224 GLU 17 HN -0.0116 0.0007 -0.0038 225 GLU 17 CA -0.0121 0.0005 -0.0054 226 GLU 17 HA -0.0129 0.0022 -0.0065 227 GLU 17 CB -0.0108 -0.0010 -0.0028 228 GLU 17 HB1 -0.0108 -0.0030 -0.0040 229 GLU 17 HB2 -0.0099 -0.0022 -0.0013 230 GLU 17 CG -0.0106 0.0013 -0.0008 231 GLU 17 HG1 -0.0106 0.0032 0.0005 232 GLU 17 HG2 -0.0114 0.0024 -0.0023 233 GLU 17 CD -0.0093 -0.0007 0.0014 234 GLU 17 OE1 -0.0086 0.0005 0.0042 235 GLU 17 OE2 -0.0089 -0.0036 0.0007 236 GLU 17 C -0.0123 -0.0023 -0.0077 237 GLU 17 O -0.0116 -0.0044 -0.0071 238 GLY 18 N -0.0151 -0.0010 -0.0139 239 GLY 18 HN -0.0139 -0.0013 -0.0155 240 GLY 18 CA -0.0152 -0.0012 -0.0140 241 GLY 18 HA1 -0.0171 -0.0028 -0.0137 242 GLY 18 HA2 -0.0138 -0.0015 -0.0159 243 GLY 18 C -0.0147 0.0010 -0.0120 244 GLY 18 O -0.0125 0.0029 -0.0123 245 GLU 19 N -0.0127 0.0010 -0.0129 246 GLU 19 HN -0.0128 0.0005 -0.0127 247 GLU 19 CA -0.0126 0.0008 -0.0125 248 GLU 19 HA -0.0125 0.0013 -0.0129 249 GLU 19 CB -0.0131 -0.0003 -0.0125 250 GLU 19 HB1 -0.0131 -0.0005 -0.0121 251 GLU 19 HB2 -0.0132 -0.0009 -0.0120 252 GLU 19 CG -0.0135 -0.0007 -0.0137 253 GLU 19 HG1 -0.0136 -0.0006 -0.0142 254 GLU 19 HG2 -0.0134 -0.0002 -0.0142 255 GLU 19 CD -0.0140 -0.0019 -0.0137 256 GLU 19 OE1 -0.0140 -0.0022 -0.0130 257 GLU 19 OE2 -0.0144 -0.0024 -0.0144 258 GLU 19 C -0.0123 0.0011 -0.0112 259 GLU 19 O -0.0123 0.0008 -0.0106 260 ALA 20 N -0.0105 -0.0006 -0.0079 261 ALA 20 HN -0.0104 -0.0008 -0.0081 262 ALA 20 CA -0.0109 -0.0001 -0.0062 263 ALA 20 HA -0.0109 0.0006 -0.0062 264 ALA 20 CB -0.0113 -0.0017 -0.0052 265 ALA 20 HB1 -0.0117 -0.0014 -0.0040 266 ALA 20 HB2 -0.0112 -0.0025 -0.0057 267 ALA 20 HB3 -0.0114 -0.0025 -0.0052 268 ALA 20 C -0.0111 0.0010 -0.0055 269 ALA 20 O -0.0109 0.0013 -0.0061 270 VAL 21 N -0.0087 -0.0001 -0.0006 271 VAL 21 HN -0.0087 -0.0005 -0.0001 272 VAL 21 CA -0.0084 0.0010 0.0001 273 VAL 21 HA -0.0083 0.0013 -0.0005 274 VAL 21 CB -0.0082 0.0021 0.0005 275 VAL 21 HB -0.0082 0.0018 0.0013 276 VAL 21 CG1 -0.0079 0.0033 0.0011 277 VAL 21 HG11 -0.0080 0.0029 0.0021 278 VAL 21 HG12 -0.0078 0.0037 0.0004 279 VAL 21 HG13 -0.0077 0.0041 0.0014 280 VAL 21 CG2 -0.0080 0.0026 -0.0007 281 VAL 21 HG21 -0.0078 0.0035 -0.0004 282 VAL 21 HG22 -0.0080 0.0029 -0.0016 283 VAL 21 HG23 -0.0082 0.0019 -0.0011 284 VAL 21 C -0.0085 0.0003 0.0013 285 VAL 21 O -0.0087 -0.0005 0.0020 286 LYS 22 N -0.0084 0.0041 0.0094 287 LYS 22 HN -0.0084 0.0049 0.0090 288 LYS 22 CA -0.0083 0.0035 0.0108 289 LYS 22 HA -0.0083 0.0030 0.0113 290 LYS 22 CB -0.0082 0.0023 0.0105 291 LYS 22 HB1 -0.0082 0.0016 0.0097 292 LYS 22 HB2 -0.0082 0.0017 0.0115 293 LYS 22 CG -0.0083 0.0030 0.0099 294 LYS 22 HG1 -0.0083 0.0033 0.0108 295 LYS 22 HG2 -0.0083 0.0040 0.0093 296 LYS 22 CD -0.0083 0.0020 0.0088 297 LYS 22 HD1 -0.0083 0.0027 0.0083 298 LYS 22 HD2 -0.0083 0.0017 0.0079 299 LYS 22 CE -0.0082 0.0006 0.0094 300 LYS 22 HE1 -0.0081 -0.0002 0.0097 301 LYS 22 HE2 -0.0082 0.0009 0.0104 302 LYS 22 NZ -0.0082 -0.0001 0.0084 303 LYS 22 HZ1 -0.0081 -0.0009 0.0088 304 LYS 22 HZ2 -0.0082 -0.0004 0.0074 305 LYS 22 HZ3 -0.0082 0.0007 0.0080 306 LYS 22 C -0.0083 0.0047 0.0118 307 LYS 22 O -0.0084 0.0058 0.0113 308 THR 23 N -0.0046 0.0103 0.0177 309 THR 23 HN -0.0049 0.0104 0.0178 310 THR 23 CA -0.0045 0.0101 0.0174 311 THR 23 HA -0.0042 0.0101 0.0175 312 THR 23 CB -0.0049 0.0102 0.0176 313 THR 23 HB -0.0052 0.0102 0.0175 314 THR 23 OG1 -0.0048 0.0105 0.0179 315 THR 23 HG1 -0.0050 0.0106 0.0180 316 THR 23 CG2 -0.0049 0.0100 0.0173 317 THR 23 HG21 -0.0051 0.0101 0.0174 318 THR 23 HG22 -0.0050 0.0098 0.0170 319 THR 23 HG23 -0.0045 0.0100 0.0173 320 THR 23 C -0.0047 0.0098 0.0170 321 THR 23 O -0.0050 0.0098 0.0170 322 HIS 24 N -0.0020 0.0078 0.0196 323 HIS 24 HN -0.0017 0.0066 0.0196 324 HIS 24 CA -0.0021 0.0080 0.0194 325 HIS 24 HA -0.0024 0.0093 0.0190 326 HIS 24 CB -0.0019 0.0077 0.0210 327 HIS 24 HB1 -0.0016 0.0065 0.0214 328 HIS 24 HB2 -0.0020 0.0086 0.0219 329 HIS 24 CD2 -0.0017 0.0072 0.0218 330 HIS 24 HD2 -0.0014 0.0062 0.0227 331 HIS 24 CG -0.0019 0.0080 0.0210 332 HIS 24 NE2 -0.0019 0.0080 0.0215 333 HIS 24 HE2 -0.0018 0.0078 0.0220 334 HIS 24 ND1 -0.0023 0.0092 0.0201 335 HIS 24 HD1 -0.0025 0.0100 0.0194 336 HIS 24 CE1 -0.0022 0.0092 0.0204 337 HIS 24 HE1 -0.0024 0.0100 0.0199 338 HIS 24 C -0.0019 0.0070 0.0180 339 HIS 24 O -0.0017 0.0055 0.0178 340 HIS 25 N -0.0019 0.0087 0.0209 341 HIS 25 HN -0.0035 0.0106 0.0210 342 HIS 25 CA -0.0018 0.0065 0.0172 343 HIS 25 HA -0.0013 0.0057 0.0168 344 HIS 25 CB -0.0046 0.0080 0.0141 345 HIS 25 HB1 -0.0063 0.0098 0.0141 346 HIS 25 HB2 -0.0045 0.0062 0.0113 347 HIS 25 CD2 -0.0056 0.0085 0.0131 348 HIS 25 HD2 -0.0046 0.0063 0.0111 349 HIS 25 CG -0.0057 0.0095 0.0147 350 HIS 25 NE2 -0.0071 0.0110 0.0145 351 HIS 25 HE2 -0.0074 0.0110 0.0139 352 HIS 25 ND1 -0.0073 0.0126 0.0170 353 HIS 25 HD1 -0.0077 0.0139 0.0184 354 HIS 25 CE1 -0.0080 0.0133 0.0168 355 HIS 25 HE1 -0.0093 0.0156 0.0183 356 HIS 25 C 0.0005 0.0036 0.0167 357 HIS 25 O 0.0016 0.0011 0.0144 358 GLY 26 N 0.0019 0.0025 0.0195 359 GLY 26 HN 0.0007 0.0047 0.0215 360 GLY 26 CA 0.0045 -0.0002 0.0192 361 GLY 26 HA1 0.0067 -0.0022 0.0197 362 GLY 26 HA2 0.0048 0.0007 0.0215 363 GLY 26 C 0.0039 -0.0016 0.0151 364 GLY 26 O 0.0011 -0.0000 0.0127 365 HIS 27 N 0.0104 -0.0025 0.0118 366 HIS 27 HN 0.0142 -0.0031 0.0147 367 HIS 27 CA 0.0112 -0.0045 0.0051 368 HIS 27 HA 0.0159 -0.0064 0.0043 369 HIS 27 CB 0.0067 -0.0043 -0.0002 370 HIS 27 HB1 0.0079 -0.0060 -0.0051 371 HIS 27 HB2 0.0018 -0.0024 0.0003 372 HIS 27 CD2 0.0030 -0.0025 0.0015 373 HIS 27 HD2 -0.0018 -0.0005 0.0025 374 HIS 27 CG 0.0073 -0.0044 0.0002 375 HIS 27 NE2 0.0061 -0.0036 0.0015 376 HIS 27 HE2 0.0044 -0.0027 0.0026 377 HIS 27 ND1 0.0130 -0.0067 -0.0007 378 HIS 27 HD1 0.0169 -0.0083 -0.0017 379 HIS 27 CE1 0.0121 -0.0061 0.0001 380 HIS 27 HE1 0.0157 -0.0075 -0.0001 381 HIS 27 C 0.0109 -0.0045 0.0048 382 HIS 27 O 0.0068 -0.0024 0.0074 383 HIS 28 N 0.0186 -0.0051 -0.0075 384 HIS 28 HN 0.0246 -0.0077 -0.0108 385 HIS 28 CA 0.0189 -0.0052 -0.0077 386 HIS 28 HA 0.0260 -0.0083 -0.0116 387 HIS 28 CB 0.0103 -0.0032 -0.0152 388 HIS 28 HB1 0.0115 -0.0049 -0.0236 389 HIS 28 HB2 0.0114 -0.0036 -0.0151 390 HIS 28 CD2 -0.0083 0.0027 -0.0200 391 HIS 28 HD2 -0.0076 0.0012 -0.0281 392 HIS 28 CG -0.0009 0.0010 -0.0132 393 HIS 28 NE2 -0.0178 0.0067 -0.0154 394 HIS 28 HE2 -0.0245 0.0086 -0.0187 395 HIS 28 ND1 -0.0061 0.0042 -0.0041 396 HIS 28 HD1 -0.0030 0.0041 0.0025 397 HIS 28 CE1 -0.0161 0.0075 -0.0058 398 HIS 28 HE1 -0.0218 0.0105 0.0003 399 HIS 28 C 0.0202 -0.0041 0.0030 400 HIS 28 O 0.0248 -0.0056 0.0033 401 ASP 29 N 0.0147 -0.0076 0.0140 402 ASP 29 HN 0.0120 -0.0065 0.0132 403 ASP 29 CA 0.0147 -0.0070 0.0213 404 ASP 29 HA 0.0129 -0.0063 0.0207 405 ASP 29 CB 0.0097 -0.0045 0.0261 406 ASP 29 HB1 0.0096 -0.0040 0.0318 407 ASP 29 HB2 0.0111 -0.0051 0.0264 408 ASP 29 CG 0.0025 -0.0017 0.0228 409 ASP 29 OD1 -0.0018 0.0004 0.0250 410 ASP 29 OD2 0.0011 -0.0014 0.0183 411 ASP 29 C 0.0219 -0.0098 0.0249 412 ASP 29 O 0.0260 -0.0117 0.0243 413 HIS 30 N 0.0144 -0.0077 0.0166 414 HIS 30 HN 0.0017 -0.0095 0.0113 415 HIS 30 CA 0.0252 -0.0062 0.0211 416 HIS 30 HA 0.0392 -0.0010 0.0212 417 HIS 30 CB 0.0197 -0.0016 0.0088 418 HIS 30 HB1 0.0287 -0.0002 0.0123 419 HIS 30 HB2 0.0056 -0.0070 0.0092 420 HIS 30 CD2 0.0077 0.0108 -0.0230 421 HIS 30 HD2 -0.0066 0.0061 -0.0241 422 HIS 30 CG 0.0210 0.0084 -0.0092 423 HIS 30 NE2 0.0164 0.0210 -0.0363 424 HIS 30 HE2 0.0105 0.0252 -0.0482 425 HIS 30 ND1 0.0375 0.0168 -0.0137 426 HIS 30 HD1 0.0496 0.0172 -0.0061 427 HIS 30 CE1 0.0342 0.0242 -0.0300 428 HIS 30 HE1 0.0444 0.0321 -0.0377 429 HIS 30 C 0.0228 -0.0164 0.0389 430 HIS 30 O 0.0083 -0.0244 0.0439 431 HIS 31 N 0.0154 -0.0068 0.0179 432 HIS 31 HN 0.0156 -0.0055 0.0180 433 HIS 31 CA 0.0156 -0.0077 0.0186 434 HIS 31 HA 0.0158 -0.0088 0.0191 435 HIS 31 CB 0.0164 -0.0067 0.0197 436 HIS 31 HB1 0.0166 -0.0073 0.0202 437 HIS 31 HB2 0.0163 -0.0054 0.0192 438 HIS 31 CD2 0.0175 -0.0052 0.0211 439 HIS 31 HD2 0.0172 -0.0042 0.0204 440 HIS 31 CG 0.0172 -0.0064 0.0210 441 HIS 31 NE2 0.0182 -0.0054 0.0225 442 HIS 31 HE2 0.0186 -0.0048 0.0230 443 HIS 31 ND1 0.0178 -0.0074 0.0222 444 HIS 31 HD1 0.0178 -0.0084 0.0224 445 HIS 31 CE1 0.0184 -0.0068 0.0231 446 HIS 31 HE1 0.0190 -0.0073 0.0242 447 HIS 31 C 0.0150 -0.0083 0.0176 448 HIS 31 O 0.0145 -0.0075 0.0165 449 THR 32 N 0.0073 -0.0098 0.0060 450 THR 32 HN 0.0081 -0.0104 0.0069 451 THR 32 CA 0.0067 -0.0102 0.0045 452 THR 32 HA 0.0062 -0.0102 0.0034 453 THR 32 CB 0.0076 -0.0119 0.0041 454 THR 32 HB 0.0081 -0.0120 0.0052 455 THR 32 OG1 0.0082 -0.0131 0.0041 456 THR 32 HG1 0.0083 -0.0126 0.0048 457 THR 32 CG2 0.0070 -0.0123 0.0024 458 THR 32 HG21 0.0076 -0.0136 0.0022 459 THR 32 HG22 0.0064 -0.0115 0.0023 460 THR 32 HG23 0.0064 -0.0123 0.0014 461 THR 32 C 0.0060 -0.0089 0.0045 462 THR 32 O 0.0064 -0.0086 0.0056 463 HIS 33 N 0.0113 -0.0132 0.0041 464 HIS 33 HN 0.0112 -0.0136 0.0030 465 HIS 33 CA 0.0093 -0.0116 0.0033 466 HIS 33 HA 0.0094 -0.0110 0.0049 467 HIS 33 CB 0.0069 -0.0094 0.0031 468 HIS 33 HB1 0.0053 -0.0083 0.0023 469 HIS 33 HB2 0.0066 -0.0099 0.0014 470 HIS 33 CD2 0.0084 -0.0083 0.0089 471 HIS 33 HD2 0.0101 -0.0096 0.0096 472 HIS 33 CG 0.0068 -0.0080 0.0061 473 HIS 33 NE2 0.0074 -0.0066 0.0107 474 HIS 33 HE2 0.0082 -0.0064 0.0129 475 HIS 33 ND1 0.0049 -0.0062 0.0061 476 HIS 33 HD1 0.0034 -0.0056 0.0044 477 HIS 33 CE1 0.0053 -0.0054 0.0089 478 HIS 33 HE1 0.0042 -0.0040 0.0098 479 HIS 33 C 0.0092 -0.0128 0.0003 480 HIS 33 O 0.0093 -0.0139 -0.0019 481 PHE 34 N 0.0070 -0.0091 0.0008 482 PHE 34 HN 0.0076 -0.0089 0.0007 483 PHE 34 CA 0.0068 -0.0096 0.0019 484 PHE 34 HA 0.0059 -0.0097 0.0019 485 PHE 34 CB 0.0069 -0.0099 0.0027 486 PHE 34 HB1 0.0069 -0.0102 0.0036 487 PHE 34 HB2 0.0078 -0.0097 0.0026 488 PHE 34 CG 0.0059 -0.0100 0.0025 489 PHE 34 CD1 0.0048 -0.0103 0.0028 490 PHE 34 HD1 0.0046 -0.0104 0.0032 491 PHE 34 CE1 0.0038 -0.0104 0.0027 492 PHE 34 HE1 0.0030 -0.0106 0.0029 493 PHE 34 CZ 0.0041 -0.0102 0.0022 494 PHE 34 HZ 0.0033 -0.0103 0.0021 495 PHE 34 CD2 0.0061 -0.0097 0.0021 496 PHE 34 HD2 0.0070 -0.0095 0.0018 497 PHE 34 CE2 0.0052 -0.0099 0.0019 498 PHE 34 HE2 0.0053 -0.0097 0.0016 499 PHE 34 C 0.0077 -0.0095 0.0022 500 PHE 34 O 0.0087 -0.0093 0.0022 501 HIS 35 N 0.0093 -0.0140 -0.0114 502 HIS 35 HN 0.0102 -0.0141 -0.0116 503 HIS 35 CA 0.0079 -0.0139 -0.0122 504 HIS 35 HA 0.0070 -0.0137 -0.0117 505 HIS 35 CB 0.0076 -0.0138 -0.0118 506 HIS 35 HB1 0.0067 -0.0138 -0.0125 507 HIS 35 HB2 0.0087 -0.0140 -0.0121 508 HIS 35 CD2 0.0082 -0.0134 -0.0090 509 HIS 35 HD2 0.0095 -0.0135 -0.0089 510 HIS 35 CG 0.0073 -0.0134 -0.0102 511 HIS 35 NE2 0.0074 -0.0130 -0.0077 512 HIS 35 HE2 0.0078 -0.0129 -0.0066 513 HIS 35 ND1 0.0058 -0.0131 -0.0096 514 HIS 35 HD1 0.0049 -0.0131 -0.0102 515 HIS 35 CE1 0.0060 -0.0129 -0.0081 516 HIS 35 HE1 0.0050 -0.0126 -0.0074 517 HIS 35 C 0.0080 -0.0142 -0.0138 518 HIS 35 O 0.0090 -0.0145 -0.0146 519 VAL 36 N 0.0111 -0.0150 -0.0184 520 VAL 36 HN 0.0108 -0.0150 -0.0182 521 VAL 36 CA 0.0110 -0.0130 -0.0181 522 VAL 36 HA 0.0107 -0.0133 -0.0179 523 VAL 36 CB 0.0097 -0.0116 -0.0170 524 VAL 36 HB 0.0100 -0.0114 -0.0172 525 VAL 36 CG1 0.0096 -0.0095 -0.0168 526 VAL 36 HG11 0.0109 -0.0085 -0.0175 527 VAL 36 HG12 0.0094 -0.0097 -0.0167 528 VAL 36 HG13 0.0086 -0.0086 -0.0159 529 VAL 36 CG2 0.0078 -0.0128 -0.0159 530 VAL 36 HG21 0.0075 -0.0131 -0.0157 531 VAL 36 HG22 0.0078 -0.0144 -0.0160 532 VAL 36 HG23 0.0068 -0.0118 -0.0151 533 VAL 36 C 0.0128 -0.0119 -0.0192 534 VAL 36 O 0.0136 -0.0115 -0.0197 535 GLU 37 N 0.0136 -0.0112 -0.0223 536 GLU 37 HN 0.0112 -0.0109 -0.0215 537 GLU 37 CA 0.0161 -0.0106 -0.0212 538 GLU 37 HA 0.0186 -0.0111 -0.0223 539 GLU 37 CB 0.0149 -0.0110 -0.0219 540 GLU 37 HB1 0.0124 -0.0104 -0.0206 541 GLU 37 HB2 0.0143 -0.0123 -0.0244 542 GLU 37 CG 0.0176 -0.0106 -0.0212 543 GLU 37 HG1 0.0200 -0.0111 -0.0224 544 GLU 37 HG2 0.0180 -0.0093 -0.0187 545 GLU 37 CD 0.0163 -0.0113 -0.0225 546 GLU 37 OE1 0.0140 -0.0106 -0.0211 547 GLU 37 OE2 0.0175 -0.0126 -0.0251 548 GLU 37 C 0.0166 -0.0088 -0.0177 549 GLU 37 O 0.0141 -0.0080 -0.0160 550 ASN 38 N 0.0282 -0.0080 -0.0238 551 ASN 38 HN 0.0336 -0.0089 -0.0284 552 ASN 38 CA 0.0303 -0.0040 -0.0138 553 ASN 38 HA 0.0255 -0.0034 -0.0101 554 ASN 38 CB 0.0411 -0.0015 -0.0118 555 ASN 38 HB1 0.0412 -0.0018 -0.0126 556 ASN 38 HB2 0.0429 0.0015 -0.0045 557 ASN 38 CG 0.0490 -0.0027 -0.0187 558 ASN 38 OD1 0.0509 -0.0024 -0.0186 559 ASN 38 ND2 0.0541 -0.0041 -0.0247 560 ASN 38 HD21 0.0594 -0.0048 -0.0289 561 ASN 38 HD22 0.0529 -0.0042 -0.0244 562 ASN 38 C 0.0277 -0.0027 -0.0092 563 ASN 38 O 0.0283 -0.0043 -0.0136 564 HIS 39 N 0.0232 -0.0044 -0.0094 565 HIS 39 HN 0.0231 -0.0041 -0.0087 566 HIS 39 CA 0.0209 -0.0029 -0.0059 567 HIS 39 HA 0.0230 -0.0030 -0.0056 568 HIS 39 CB 0.0153 -0.0029 -0.0073 569 HIS 39 HB1 0.0133 -0.0016 -0.0043 570 HIS 39 HB2 0.0134 -0.0031 -0.0085 571 HIS 39 CD2 0.0141 -0.0058 -0.0160 572 HIS 39 HD2 0.0139 -0.0066 -0.0181 573 HIS 39 CG 0.0148 -0.0042 -0.0112 574 HIS 39 NE2 0.0137 -0.0064 -0.0178 575 HIS 39 HE2 0.0137 -0.0077 -0.0213 576 HIS 39 ND1 0.0148 -0.0038 -0.0101 577 HIS 39 HD1 0.0152 -0.0027 -0.0069 578 HIS 39 CE1 0.0142 -0.0052 -0.0142 579 HIS 39 HE1 0.0141 -0.0053 -0.0146 580 HIS 39 C 0.0211 -0.0012 -0.0011 581 HIS 39 O 0.0177 0.0001 0.0017 582 GLY 40 N 0.0377 0.0009 0.0027 583 GLY 40 HN 0.0412 -0.0028 0.0003 584 GLY 40 CA 0.0374 0.0046 0.0071 585 GLY 40 HA1 0.0352 0.0086 0.0108 586 GLY 40 HA2 0.0428 0.0034 0.0090 587 GLY 40 C 0.0328 0.0043 0.0040 588 GLY 40 O 0.0330 0.0001 -0.0011 589 GLY 41 N 0.0248 0.0137 -0.0037 590 GLY 41 HN 0.0263 0.0175 -0.0015 591 GLY 41 CA 0.0180 0.0144 -0.0038 592 GLY 41 HA1 0.0160 0.0193 -0.0013 593 GLY 41 HA2 0.0192 0.0131 -0.0044 594 GLY 41 C 0.0117 0.0101 -0.0065 595 GLY 41 O 0.0067 0.0091 -0.0074 596 LYS 42 N 0.0053 0.0065 -0.0101 597 LYS 42 HN 0.0065 0.0065 -0.0108 598 LYS 42 CA 0.0033 0.0043 -0.0107 599 LYS 42 HA 0.0025 0.0043 -0.0101 600 LYS 42 CB 0.0011 0.0038 -0.0097 601 LYS 42 HB1 -0.0001 0.0019 -0.0106 602 LYS 42 HB2 0.0019 0.0042 -0.0099 603 LYS 42 CG -0.0008 0.0050 -0.0074 604 LYS 42 HG1 0.0003 0.0069 -0.0064 605 LYS 42 HG2 -0.0014 0.0046 -0.0074 606 LYS 42 CD -0.0032 0.0044 -0.0064 607 LYS 42 HD1 -0.0046 0.0050 -0.0049 608 LYS 42 HD2 -0.0041 0.0024 -0.0075 609 LYS 42 CE -0.0027 0.0051 -0.0061 610 LYS 42 HE1 -0.0046 0.0044 -0.0054 611 LYS 42 HE2 -0.0013 0.0044 -0.0075 612 LYS 42 NZ -0.0017 0.0076 -0.0045 613 LYS 42 HZ1 -0.0016 0.0081 -0.0041 614 LYS 42 HZ2 -0.0029 0.0083 -0.0031 615 LYS 42 HZ3 0.0001 0.0083 -0.0051 616 LYS 42 C 0.0045 0.0024 -0.0131 617 LYS 42 O 0.0063 0.0025 -0.0142 618 VAL 43 N 0.0064 -0.0002 -0.0102 619 VAL 43 HN 0.0047 -0.0004 -0.0095 620 VAL 43 CA 0.0074 -0.0021 -0.0133 621 VAL 43 HA 0.0098 -0.0016 -0.0138 622 VAL 43 CB 0.0077 -0.0032 -0.0148 623 VAL 43 HB 0.0088 -0.0045 -0.0171 624 VAL 43 CG1 0.0101 -0.0014 -0.0137 625 VAL 43 HG11 0.0105 -0.0022 -0.0150 626 VAL 43 HG12 0.0125 -0.0006 -0.0137 627 VAL 43 HG13 0.0090 -0.0002 -0.0115 628 VAL 43 CG2 0.0043 -0.0043 -0.0146 629 VAL 43 HG21 0.0046 -0.0050 -0.0157 630 VAL 43 HG22 0.0030 -0.0031 -0.0124 631 VAL 43 HG23 0.0027 -0.0057 -0.0157 632 VAL 43 C 0.0051 -0.0038 -0.0144 633 VAL 43 O 0.0023 -0.0038 -0.0130 634 ALA 44 N 0.0041 -0.0071 -0.0149 635 ALA 44 HN 0.0060 -0.0074 -0.0157 636 ALA 44 CA 0.0019 -0.0077 -0.0160 637 ALA 44 HA -0.0001 -0.0074 -0.0151 638 ALA 44 CB 0.0025 -0.0077 -0.0160 639 ALA 44 HB1 0.0028 -0.0067 -0.0140 640 ALA 44 HB2 0.0045 -0.0081 -0.0171 641 ALA 44 HB3 0.0008 -0.0081 -0.0167 642 ALA 44 C 0.0018 -0.0090 -0.0188 643 ALA 44 O 0.0039 -0.0094 -0.0199 644 LEU 45 N 0.0016 -0.0063 -0.0144 645 LEU 45 HN 0.0005 -0.0064 -0.0137 646 LEU 45 CA 0.0012 -0.0073 -0.0157 647 LEU 45 HA 0.0025 -0.0070 -0.0162 648 LEU 45 CB -0.0007 -0.0077 -0.0149 649 LEU 45 HB1 -0.0010 -0.0085 -0.0160 650 LEU 45 HB2 -0.0020 -0.0080 -0.0144 651 LEU 45 CG -0.0005 -0.0066 -0.0132 652 LEU 45 HG -0.0002 -0.0057 -0.0121 653 LEU 45 CD1 -0.0025 -0.0070 -0.0124 654 LEU 45 HD11 -0.0024 -0.0061 -0.0111 655 LEU 45 HD12 -0.0037 -0.0072 -0.0119 656 LEU 45 HD13 -0.0030 -0.0078 -0.0134 657 LEU 45 CD2 0.0011 -0.0061 -0.0137 658 LEU 45 HD21 0.0013 -0.0070 -0.0152 659 LEU 45 HD22 0.0026 -0.0054 -0.0136 660 LEU 45 HD23 0.0008 -0.0057 -0.0128 661 LEU 45 C 0.0009 -0.0085 -0.0174 662 LEU 45 O -0.0004 -0.0090 -0.0172 663 LYS 46 N 0.0039 -0.0127 -0.0151 664 LYS 46 HN 0.0050 -0.0126 -0.0153 665 LYS 46 CA 0.0036 -0.0135 -0.0165 666 LYS 46 HA 0.0021 -0.0136 -0.0162 667 LYS 46 CB 0.0051 -0.0133 -0.0166 668 LYS 46 HB1 0.0052 -0.0125 -0.0153 669 LYS 46 HB2 0.0046 -0.0139 -0.0174 670 LYS 46 CG 0.0072 -0.0133 -0.0174 671 LYS 46 HG1 0.0072 -0.0141 -0.0188 672 LYS 46 HG2 0.0078 -0.0128 -0.0166 673 LYS 46 CD 0.0086 -0.0130 -0.0172 674 LYS 46 HD1 0.0088 -0.0122 -0.0158 675 LYS 46 HD2 0.0079 -0.0135 -0.0178 676 LYS 46 CE 0.0107 -0.0132 -0.0182 677 LYS 46 HE1 0.0107 -0.0140 -0.0196 678 LYS 46 HE2 0.0115 -0.0127 -0.0177 679 LYS 46 NZ 0.0119 -0.0127 -0.0178 680 LYS 46 HZ1 0.0125 -0.0119 -0.0165 681 LYS 46 HZ2 0.0132 -0.0130 -0.0187 682 LYS 46 HZ3 0.0111 -0.0128 -0.0177 683 LYS 46 C 0.0035 -0.0145 -0.0182 684 LYS 46 O 0.0043 -0.0145 -0.0185 685 THR 47 N 0.0029 -0.0109 -0.0104 686 THR 47 HN 0.0022 -0.0109 -0.0101 687 THR 47 CA 0.0029 -0.0114 -0.0119 688 THR 47 HA 0.0030 -0.0115 -0.0120 689 THR 47 CB 0.0013 -0.0118 -0.0127 690 THR 47 HB 0.0013 -0.0122 -0.0138 691 THR 47 OG1 0.0011 -0.0119 -0.0128 692 THR 47 HG1 0.0000 -0.0120 -0.0131 693 THR 47 CG2 -0.0000 -0.0116 -0.0117 694 THR 47 HG21 -0.0001 -0.0112 -0.0106 695 THR 47 HG22 -0.0011 -0.0119 -0.0122 696 THR 47 HG23 0.0001 -0.0115 -0.0115 697 THR 47 C 0.0042 -0.0116 -0.0129 698 THR 47 O 0.0051 -0.0114 -0.0124 699 HIS 48 N 0.0049 -0.0127 -0.0117 700 HIS 48 HN 0.0049 -0.0134 -0.0099 701 HIS 48 CA 0.0048 -0.0117 -0.0132 702 HIS 48 HA 0.0046 -0.0096 -0.0137 703 HIS 48 CB 0.0047 -0.0118 -0.0113 704 HIS 48 HB1 0.0044 -0.0106 -0.0095 705 HIS 48 HB2 0.0047 -0.0110 -0.0123 706 HIS 48 CD2 0.0054 -0.0161 -0.0108 707 HIS 48 HD2 0.0054 -0.0157 -0.0120 708 HIS 48 CG 0.0051 -0.0146 -0.0103 709 HIS 48 NE2 0.0056 -0.0185 -0.0093 710 HIS 48 HE2 0.0058 -0.0200 -0.0091 711 HIS 48 ND1 0.0052 -0.0160 -0.0085 712 HIS 48 HD1 0.0051 -0.0153 -0.0078 713 HIS 48 CE1 0.0055 -0.0183 -0.0079 714 HIS 48 HE1 0.0057 -0.0198 -0.0066 715 HIS 48 C 0.0052 -0.0132 -0.0157 716 HIS 48 O 0.0052 -0.0121 -0.0177 717 CYS 49 N 0.0066 -0.0169 -0.0247 718 CYS 49 HN 0.0040 -0.0175 -0.0220 719 CYS 49 CA 0.0055 -0.0187 -0.0274 720 CYS 49 HA 0.0080 -0.0187 -0.0313 721 CYS 49 CB 0.0000 -0.0223 -0.0284 722 CYS 49 HB1 -0.0025 -0.0223 -0.0244 723 CYS 49 HB2 -0.0003 -0.0233 -0.0303 724 CYS 49 SG -0.0018 -0.0251 -0.0326 725 CYS 49 HG1 0.0003 -0.0229 -0.0303 726 CYS 49 C 0.0060 -0.0170 -0.0240 727 CYS 49 O 0.0051 -0.0181 -0.0255 728 GLY 50 N 0.0030 -0.0167 -0.0200 729 GLY 50 HN 0.0044 -0.0173 -0.0216 730 GLY 50 CA 0.0037 -0.0168 -0.0154 731 GLY 50 HA1 0.0042 -0.0170 -0.0144 732 GLY 50 HA2 0.0062 -0.0179 -0.0149 733 GLY 50 C 0.0005 -0.0153 -0.0129 734 GLY 50 O 0.0002 -0.0151 -0.0091 735 LYS 51 N -0.0036 -0.0099 -0.0122 736 LYS 51 HN -0.0022 -0.0092 -0.0169 737 LYS 51 CA -0.0065 -0.0070 -0.0107 738 LYS 51 HA -0.0087 -0.0068 -0.0058 739 LYS 51 CB -0.0094 -0.0012 -0.0151 740 LYS 51 HB1 -0.0118 0.0009 -0.0135 741 LYS 51 HB2 -0.0072 -0.0015 -0.0201 742 LYS 51 CG -0.0122 0.0022 -0.0150 743 LYS 51 HG1 -0.0136 0.0059 -0.0189 744 LYS 51 HG2 -0.0099 -0.0001 -0.0161 745 LYS 51 CD -0.0161 0.0039 -0.0087 746 LYS 51 HD1 -0.0148 0.0002 -0.0046 747 LYS 51 HD2 -0.0184 0.0063 -0.0079 748 LYS 51 CE -0.0187 0.0070 -0.0087 749 LYS 51 HE1 -0.0195 0.0103 -0.0131 750 LYS 51 HE2 -0.0166 0.0043 -0.0084 751 LYS 51 NZ -0.0230 0.0096 -0.0032 752 LYS 51 HZ1 -0.0246 0.0114 -0.0029 753 LYS 51 HZ2 -0.0252 0.0126 -0.0036 754 LYS 51 HZ3 -0.0225 0.0068 0.0012 755 LYS 51 C -0.0036 -0.0102 -0.0117 756 LYS 51 O -0.0001 -0.0121 -0.0163 757 TYR 52 N -0.0076 -0.0076 -0.0167 758 TYR 52 HN -0.0076 -0.0062 -0.0150 759 TYR 52 CA -0.0076 -0.0077 -0.0169 760 TYR 52 HA -0.0071 -0.0097 -0.0181 761 TYR 52 CB -0.0066 -0.0071 -0.0139 762 TYR 52 HB1 -0.0069 -0.0066 -0.0141 763 TYR 52 HB2 -0.0069 -0.0052 -0.0125 764 TYR 52 CG -0.0046 -0.0096 -0.0125 765 TYR 52 CD1 -0.0037 -0.0102 -0.0112 766 TYR 52 HD1 -0.0044 -0.0089 -0.0113 767 TYR 52 CE1 -0.0018 -0.0125 -0.0098 768 TYR 52 HE1 -0.0011 -0.0130 -0.0089 769 TYR 52 CZ -0.0008 -0.0141 -0.0096 770 TYR 52 OH 0.0010 -0.0165 -0.0083 771 TYR 52 HH 0.0015 -0.0173 -0.0083 772 TYR 52 CD2 -0.0036 -0.0112 -0.0123 773 TYR 52 HD2 -0.0043 -0.0108 -0.0132 774 TYR 52 CE2 -0.0017 -0.0135 -0.0109 775 TYR 52 HE2 -0.0010 -0.0148 -0.0107 776 TYR 52 C -0.0095 -0.0056 -0.0187 777 TYR 52 O -0.0106 -0.0031 -0.0182 778 LEU 53 N -0.0067 -0.0016 -0.0139 779 LEU 53 HN -0.0067 -0.0009 -0.0138 780 LEU 53 CA -0.0069 -0.0020 -0.0131 781 LEU 53 HA -0.0069 -0.0028 -0.0130 782 LEU 53 CB -0.0072 -0.0016 -0.0121 783 LEU 53 HB1 -0.0074 -0.0018 -0.0115 784 LEU 53 HB2 -0.0072 -0.0008 -0.0121 785 LEU 53 CG -0.0073 -0.0019 -0.0118 786 LEU 53 HG -0.0073 -0.0027 -0.0118 787 LEU 53 CD1 -0.0071 -0.0014 -0.0123 788 LEU 53 HD11 -0.0072 -0.0017 -0.0120 789 LEU 53 HD12 -0.0069 -0.0017 -0.0131 790 LEU 53 HD13 -0.0072 -0.0006 -0.0123 791 LEU 53 CD2 -0.0076 -0.0016 -0.0107 792 LEU 53 HD21 -0.0077 -0.0020 -0.0103 793 LEU 53 HD22 -0.0077 -0.0019 -0.0105 794 LEU 53 HD23 -0.0076 -0.0008 -0.0106 795 LEU 53 C -0.0069 -0.0020 -0.0132 796 LEU 53 O -0.0068 -0.0013 -0.0135 797 SER 54 N -0.0140 0.0043 -0.0149 798 SER 54 HN -0.0136 0.0042 -0.0144 799 SER 54 CA -0.0136 0.0045 -0.0158 800 SER 54 HA -0.0142 0.0045 -0.0162 801 SER 54 CB -0.0129 0.0045 -0.0159 802 SER 54 HB1 -0.0124 0.0044 -0.0154 803 SER 54 HB2 -0.0132 0.0044 -0.0157 804 SER 54 OG -0.0126 0.0046 -0.0167 805 SER 54 HG1 -0.0130 0.0047 -0.0171 806 SER 54 C -0.0133 0.0045 -0.0159 807 SER 54 O -0.0130 0.0044 -0.0153 808 ILE 55 N -0.0147 0.0083 -0.0139 809 ILE 55 HN -0.0147 0.0088 -0.0144 810 ILE 55 CA -0.0148 0.0078 -0.0132 811 ILE 55 HA -0.0149 0.0073 -0.0126 812 ILE 55 CB -0.0152 0.0084 -0.0127 813 ILE 55 HB -0.0152 0.0088 -0.0132 814 ILE 55 CG2 -0.0157 0.0093 -0.0123 815 ILE 55 HG21 -0.0157 0.0090 -0.0118 816 ILE 55 HG22 -0.0156 0.0098 -0.0129 817 ILE 55 HG23 -0.0160 0.0097 -0.0119 818 ILE 55 CG1 -0.0154 0.0079 -0.0118 819 ILE 55 HG11 -0.0151 0.0075 -0.0121 820 ILE 55 HG12 -0.0157 0.0084 -0.0113 821 ILE 55 CD -0.0154 0.0071 -0.0111 822 ILE 55 HD1 -0.0150 0.0065 -0.0115 823 ILE 55 HD2 -0.0156 0.0075 -0.0108 824 ILE 55 HD3 -0.0155 0.0068 -0.0104 825 ILE 55 C -0.0143 0.0070 -0.0137 826 ILE 55 O -0.0143 0.0065 -0.0133 827 GLY 56 N -0.0134 0.0078 -0.0207 828 GLY 56 HN -0.0148 0.0063 -0.0191 829 GLY 56 CA -0.0089 0.0097 -0.0204 830 GLY 56 HA1 -0.0073 0.0091 -0.0177 831 GLY 56 HA2 -0.0084 0.0097 -0.0200 832 GLY 56 C -0.0069 0.0125 -0.0241 833 GLY 56 O -0.0086 0.0135 -0.0277 834 ASP 57 N 0.0050 0.0223 -0.0256 835 ASP 57 HN 0.0136 0.0147 -0.0149 836 ASP 57 CA 0.0137 0.0343 -0.0374 837 ASP 57 HA 0.0097 0.0439 -0.0495 838 ASP 57 CB 0.0380 0.0354 -0.0332 839 ASP 57 HB1 0.0453 0.0443 -0.0419 840 ASP 57 HB2 0.0422 0.0254 -0.0208 841 ASP 57 CG 0.0486 0.0377 -0.0336 842 ASP 57 OD1 0.0382 0.0411 -0.0398 843 ASP 57 OD2 0.0677 0.0366 -0.0280 844 ASP 57 C 0.0056 0.0326 -0.0374 845 ASP 57 O 0.0141 0.0402 -0.0442 846 HIS 58 N -0.0081 0.0156 -0.0193 847 HIS 58 HN -0.0073 0.0170 -0.0199 848 HIS 58 CA -0.0136 0.0109 -0.0156 849 HIS 58 HA -0.0157 0.0128 -0.0143 850 HIS 58 CB -0.0114 0.0026 -0.0165 851 HIS 58 HB1 -0.0083 0.0009 -0.0184 852 HIS 58 HB2 -0.0084 0.0022 -0.0184 853 HIS 58 CD2 -0.0172 -0.0097 -0.0122 854 HIS 58 HD2 -0.0143 -0.0122 -0.0139 855 HIS 58 CG -0.0164 -0.0032 -0.0130 856 HIS 58 NE2 -0.0224 -0.0130 -0.0087 857 HIS 58 HE2 -0.0241 -0.0180 -0.0073 858 HIS 58 ND1 -0.0212 -0.0023 -0.0100 859 HIS 58 HD1 -0.0218 0.0019 -0.0098 860 HIS 58 CE1 -0.0247 -0.0083 -0.0075 861 HIS 58 HE1 -0.0287 -0.0095 -0.0048 862 HIS 58 C -0.0188 0.0116 -0.0123 863 HIS 58 O -0.0181 0.0150 -0.0129 864 LYS 59 N -0.0193 0.0107 -0.0036 865 LYS 59 HN -0.0222 0.0094 -0.0035 866 LYS 59 CA -0.0215 0.0104 -0.0030 867 LYS 59 HA -0.0200 0.0141 -0.0009 868 LYS 59 CB -0.0283 0.0091 -0.0014 869 LYS 59 HB1 -0.0298 0.0086 -0.0012 870 LYS 59 HB2 -0.0298 0.0054 -0.0035 871 LYS 59 CG -0.0313 0.0131 0.0025 872 LYS 59 HG1 -0.0361 0.0120 0.0034 873 LYS 59 HG2 -0.0306 0.0130 0.0022 874 LYS 59 CD -0.0290 0.0186 0.0055 875 LYS 59 HD1 -0.0318 0.0211 0.0083 876 LYS 59 HD2 -0.0245 0.0199 0.0048 877 LYS 59 CE -0.0287 0.0196 0.0061 878 LYS 59 HE1 -0.0272 0.0237 0.0084 879 LYS 59 HE2 -0.0255 0.0175 0.0035 880 LYS 59 NZ -0.0343 0.0178 0.0069 881 LYS 59 HZ1 -0.0375 0.0194 0.0092 882 LYS 59 HZ2 -0.0355 0.0138 0.0045 883 LYS 59 HZ3 -0.0340 0.0187 0.0074 884 LYS 59 C -0.0193 0.0067 -0.0064 885 LYS 59 O -0.0186 0.0078 -0.0059 886 GLN 60 N -0.0171 0.0033 -0.0042 887 GLN 60 HN -0.0167 0.0013 -0.0054 888 GLN 60 CA -0.0171 0.0037 -0.0044 889 GLN 60 HA -0.0178 0.0051 -0.0024 890 GLN 60 CB -0.0169 0.0002 -0.0045 891 GLN 60 HB1 -0.0169 0.0007 -0.0045 892 GLN 60 HB2 -0.0161 -0.0012 -0.0069 893 GLN 60 CG -0.0178 -0.0024 -0.0016 894 GLN 60 HG1 -0.0177 -0.0045 -0.0016 895 GLN 60 HG2 -0.0176 -0.0035 -0.0020 896 GLN 60 CD -0.0190 -0.0007 0.0017 897 GLN 60 OE1 -0.0195 -0.0000 0.0030 898 GLN 60 NE2 -0.0195 -0.0000 0.0033 899 GLN 60 HE21 -0.0191 -0.0004 0.0021 900 GLN 60 HE22 -0.0204 0.0008 0.0056 901 GLN 60 C -0.0161 0.0057 -0.0075 902 GLN 60 O -0.0152 0.0052 -0.0101 903 VAL 61 N -0.0140 0.0039 -0.0069 904 VAL 61 HN -0.0145 0.0038 -0.0061 905 VAL 61 CA -0.0135 0.0050 -0.0080 906 VAL 61 HA -0.0133 0.0058 -0.0083 907 VAL 61 CB -0.0138 0.0060 -0.0075 908 VAL 61 HB -0.0140 0.0052 -0.0070 909 VAL 61 CG1 -0.0132 0.0070 -0.0086 910 VAL 61 HG11 -0.0129 0.0078 -0.0091 911 VAL 61 HG12 -0.0135 0.0078 -0.0081 912 VAL 61 HG13 -0.0127 0.0063 -0.0094 913 VAL 61 CG2 -0.0145 0.0070 -0.0063 914 VAL 61 HG21 -0.0148 0.0078 -0.0059 915 VAL 61 HG22 -0.0143 0.0078 -0.0067 916 VAL 61 HG23 -0.0150 0.0063 -0.0054 917 VAL 61 C -0.0127 0.0042 -0.0094 918 VAL 61 O -0.0126 0.0029 -0.0094 919 TYR 62 N -0.0112 0.0048 -0.0135 920 TYR 62 HN -0.0114 0.0048 -0.0139 921 TYR 62 CA -0.0105 0.0048 -0.0128 922 TYR 62 HA -0.0102 0.0049 -0.0125 923 TYR 62 CB -0.0100 0.0055 -0.0130 924 TYR 62 HB1 -0.0102 0.0053 -0.0132 925 TYR 62 HB2 -0.0099 0.0059 -0.0136 926 TYR 62 CG -0.0092 0.0057 -0.0123 927 TYR 62 CD1 -0.0090 0.0055 -0.0117 928 TYR 62 HD1 -0.0094 0.0052 -0.0118 929 TYR 62 CE1 -0.0083 0.0056 -0.0111 930 TYR 62 HE1 -0.0081 0.0055 -0.0106 931 TYR 62 CZ -0.0078 0.0060 -0.0109 932 TYR 62 OH -0.0070 0.0062 -0.0102 933 TYR 62 HH -0.0069 0.0062 -0.0101 934 TYR 62 CD2 -0.0087 0.0060 -0.0122 935 TYR 62 HD2 -0.0089 0.0062 -0.0126 936 TYR 62 CE2 -0.0080 0.0062 -0.0115 937 TYR 62 HE2 -0.0076 0.0065 -0.0114 938 TYR 62 C -0.0108 0.0041 -0.0122 939 TYR 62 O -0.0114 0.0037 -0.0124 940 LEU 63 N -0.0104 0.0033 -0.0116 941 LEU 63 HN -0.0108 0.0039 -0.0116 942 LEU 63 CA -0.0096 0.0021 -0.0113 943 LEU 63 HA -0.0093 0.0016 -0.0112 944 LEU 63 CB -0.0098 0.0012 -0.0122 945 LEU 63 HB1 -0.0098 0.0015 -0.0120 946 LEU 63 HB2 -0.0105 0.0013 -0.0131 947 LEU 63 CG -0.0090 -0.0003 -0.0122 948 LEU 63 HG -0.0083 -0.0003 -0.0113 949 LEU 63 CD1 -0.0091 -0.0009 -0.0128 950 LEU 63 HD11 -0.0099 -0.0008 -0.0137 951 LEU 63 HD12 -0.0086 -0.0019 -0.0128 952 LEU 63 HD13 -0.0090 -0.0003 -0.0123 953 LEU 63 CD2 -0.0091 -0.0010 -0.0128 954 LEU 63 HD21 -0.0086 -0.0021 -0.0129 955 LEU 63 HD22 -0.0098 -0.0009 -0.0138 956 LEU 63 HD23 -0.0089 -0.0007 -0.0123 957 LEU 63 C -0.0089 0.0026 -0.0100 958 LEU 63 O -0.0090 0.0032 -0.0098 959 SER 64 N -0.0109 0.0063 -0.0141 960 SER 64 HN -0.0111 0.0044 -0.0150 961 SER 64 CA -0.0113 0.0067 -0.0116 962 SER 64 HA -0.0109 0.0088 -0.0112 963 SER 64 CB -0.0114 0.0051 -0.0121 964 SER 64 HB1 -0.0117 0.0030 -0.0127 965 SER 64 HB2 -0.0110 0.0061 -0.0138 966 SER 64 OG -0.0118 0.0052 -0.0097 967 SER 64 HG1 -0.0123 0.0037 -0.0086 968 SER 64 C -0.0119 0.0056 -0.0091 969 SER 64 O -0.0122 0.0036 -0.0092 970 HIS 65 N -0.0122 0.0189 -0.0063 971 HIS 65 HN -0.0120 0.0267 -0.0053 972 HIS 65 CA -0.0168 0.0133 0.0083 973 HIS 65 HA -0.0164 0.0076 0.0057 974 HIS 65 CB -0.0195 0.0276 0.0204 975 HIS 65 HB1 -0.0201 0.0334 0.0238 976 HIS 65 HB2 -0.0173 0.0372 0.0148 977 HIS 65 CD2 -0.0286 0.0209 0.0502 978 HIS 65 HD2 -0.0298 0.0240 0.0548 979 HIS 65 CG -0.0241 0.0219 0.0352 980 HIS 65 NE2 -0.0316 0.0144 0.0591 981 HIS 65 HE2 -0.0351 0.0114 0.0706 982 HIS 65 ND1 -0.0243 0.0164 0.0344 983 HIS 65 HD1 -0.0215 0.0160 0.0249 984 HIS 65 CE1 -0.0288 0.0118 0.0491 985 HIS 65 HE1 -0.0303 0.0062 0.0529 986 HIS 65 C -0.0197 0.0004 0.0157 987 HIS 65 O -0.0209 0.0037 0.0203 988 HIS 66 N -0.0172 0.0092 0.0096 989 HIS 66 HN -0.0170 0.0050 0.0068 990 HIS 66 CA -0.0179 -0.0054 0.0134 991 HIS 66 HA -0.0180 -0.0179 0.0119 992 HIS 66 CB -0.0201 -0.0053 0.0333 993 HIS 66 HB1 -0.0206 -0.0174 0.0357 994 HIS 66 HB2 -0.0201 0.0072 0.0359 995 HIS 66 CD2 -0.0233 0.0006 0.0644 996 HIS 66 HD2 -0.0239 0.0088 0.0717 997 HIS 66 CG -0.0216 -0.0066 0.0473 998 HIS 66 NE2 -0.0241 -0.0050 0.0714 999 HIS 66 HE2 -0.0255 -0.0031 0.0842 1000 HIS 66 ND1 -0.0214 -0.0165 0.0435 1001 HIS 66 HD1 -0.0203 -0.0233 0.0320 1002 HIS 66 CE1 -0.0229 -0.0152 0.0583 1003 HIS 66 HE1 -0.0233 -0.0216 0.0600 1004 HIS 66 C -0.0164 -0.0072 -0.0010 1005 HIS 66 O -0.0148 0.0037 -0.0137 1006 LEU 67 N -0.0142 -0.0059 -0.0113 1007 LEU 67 HN -0.0135 -0.0071 -0.0101 1008 LEU 67 CA -0.0137 -0.0065 -0.0113 1009 LEU 67 HA -0.0135 -0.0060 -0.0136 1010 LEU 67 CB -0.0116 -0.0093 -0.0106 1011 LEU 67 HB1 -0.0116 -0.0099 -0.0083 1012 LEU 67 HB2 -0.0105 -0.0100 -0.0122 1013 LEU 67 CG -0.0107 -0.0102 -0.0110 1014 LEU 67 HG -0.0114 -0.0099 -0.0091 1015 LEU 67 CD1 -0.0109 -0.0090 -0.0139 1016 LEU 67 HD11 -0.0126 -0.0071 -0.0138 1017 LEU 67 HD12 -0.0104 -0.0091 -0.0159 1018 LEU 67 HD13 -0.0101 -0.0100 -0.0142 1019 LEU 67 CD2 -0.0084 -0.0129 -0.0110 1020 LEU 67 HD21 -0.0078 -0.0137 -0.0112 1021 LEU 67 HD22 -0.0076 -0.0133 -0.0130 1022 LEU 67 HD23 -0.0082 -0.0139 -0.0089 1023 LEU 67 C -0.0153 -0.0051 -0.0094 1024 LEU 67 O -0.0157 -0.0055 -0.0066 1025 HIS 68 N -0.0163 -0.0004 -0.0113 1026 HIS 68 HN -0.0162 -0.0003 -0.0122 1027 HIS 68 CA -0.0153 0.0018 -0.0126 1028 HIS 68 HA -0.0149 0.0028 -0.0105 1029 HIS 68 CB -0.0142 0.0044 -0.0145 1030 HIS 68 HB1 -0.0145 0.0035 -0.0167 1031 HIS 68 HB2 -0.0137 0.0054 -0.0128 1032 HIS 68 CD2 -0.0123 0.0084 -0.0185 1033 HIS 68 HD2 -0.0125 0.0080 -0.0208 1034 HIS 68 CG -0.0130 0.0069 -0.0156 1035 HIS 68 NE2 -0.0114 0.0105 -0.0182 1036 HIS 68 HE2 -0.0109 0.0117 -0.0200 1037 HIS 68 ND1 -0.0126 0.0080 -0.0134 1038 HIS 68 HD1 -0.0129 0.0073 -0.0111 1039 HIS 68 CE1 -0.0116 0.0102 -0.0151 1040 HIS 68 HE1 -0.0110 0.0115 -0.0142 1041 HIS 68 C -0.0159 0.0003 -0.0148 1042 HIS 68 O -0.0168 -0.0019 -0.0166 1043 GLY 69 N -0.0177 -0.0000 -0.0158 1044 GLY 69 HN -0.0171 0.0014 -0.0148 1045 GLY 69 CA -0.0182 -0.0018 -0.0177 1046 GLY 69 HA1 -0.0181 -0.0016 -0.0174 1047 GLY 69 HA2 -0.0196 -0.0034 -0.0174 1048 GLY 69 C -0.0168 -0.0019 -0.0204 1049 GLY 69 O -0.0174 -0.0038 -0.0220 1050 ASP 70 N -0.0186 0.0034 -0.0273 1051 ASP 70 HN -0.0156 0.0042 -0.0249 1052 ASP 70 CA -0.0161 0.0034 -0.0303 1053 ASP 70 HA -0.0180 0.0024 -0.0347 1054 ASP 70 CB -0.0093 0.0045 -0.0310 1055 ASP 70 HB1 -0.0075 0.0044 -0.0340 1056 ASP 70 HB2 -0.0071 0.0055 -0.0267 1057 ASP 70 CG -0.0077 0.0044 -0.0339 1058 ASP 70 OD1 -0.0092 0.0034 -0.0392 1059 ASP 70 OD2 -0.0052 0.0053 -0.0306 1060 ASP 70 C -0.0178 0.0036 -0.0270 1061 ASP 70 O -0.0188 0.0041 -0.0216 1062 HIS 71 N -0.0193 0.0026 -0.0237 1063 HIS 71 HN -0.0188 0.0016 -0.0256 1064 HIS 71 CA -0.0187 0.0032 -0.0232 1065 HIS 71 HA -0.0196 0.0019 -0.0248 1066 HIS 71 CB -0.0151 0.0040 -0.0237 1067 HIS 71 HB1 -0.0146 0.0042 -0.0235 1068 HIS 71 HB2 -0.0140 0.0053 -0.0221 1069 HIS 71 CD2 -0.0115 0.0028 -0.0273 1070 HIS 71 HD2 -0.0103 0.0040 -0.0260 1071 HIS 71 CG -0.0137 0.0026 -0.0265 1072 HIS 71 NE2 -0.0110 0.0012 -0.0302 1073 HIS 71 HE2 -0.0096 0.0009 -0.0314 1074 HIS 71 ND1 -0.0146 0.0009 -0.0288 1075 HIS 71 HD1 -0.0162 0.0004 -0.0289 1076 HIS 71 CE1 -0.0130 0.0001 -0.0310 1077 HIS 71 HE1 -0.0131 -0.0013 -0.0331 1078 HIS 71 C -0.0202 0.0043 -0.0205 1079 HIS 71 O -0.0187 0.0059 -0.0188 1080 SER 72 N -0.0148 0.0008 -0.0171 1081 SER 72 HN -0.0143 0.0009 -0.0160 1082 SER 72 CA -0.0141 -0.0001 -0.0181 1083 SER 72 HA -0.0146 -0.0001 -0.0193 1084 SER 72 CB -0.0139 -0.0001 -0.0176 1085 SER 72 HB1 -0.0134 -0.0008 -0.0185 1086 SER 72 HB2 -0.0132 -0.0001 -0.0164 1087 SER 72 OG -0.0151 0.0009 -0.0176 1088 SER 72 HG1 -0.0154 0.0015 -0.0166 1089 SER 72 C -0.0127 -0.0012 -0.0180 1090 SER 72 O -0.0119 -0.0020 -0.0187 1091 LEU 73 N -0.0086 0.0002 -0.0142 1092 LEU 73 HN -0.0100 0.0011 -0.0129 1093 LEU 73 CA -0.0063 -0.0002 -0.0141 1094 LEU 73 HA -0.0049 -0.0012 -0.0155 1095 LEU 73 CB -0.0046 0.0008 -0.0114 1096 LEU 73 HB1 -0.0026 0.0003 -0.0116 1097 LEU 73 HB2 -0.0059 0.0018 -0.0100 1098 LEU 73 CG -0.0038 0.0012 -0.0102 1099 LEU 73 HG -0.0058 0.0017 -0.0100 1100 LEU 73 CD1 -0.0023 0.0023 -0.0075 1101 LEU 73 HD11 -0.0018 0.0027 -0.0066 1102 LEU 73 HD12 -0.0037 0.0032 -0.0063 1103 LEU 73 HD13 -0.0003 0.0018 -0.0076 1104 LEU 73 CD2 -0.0019 0.0000 -0.0119 1105 LEU 73 HD21 -0.0030 -0.0007 -0.0138 1106 LEU 73 HD22 -0.0014 0.0004 -0.0110 1107 LEU 73 HD23 0.0001 -0.0005 -0.0121 1108 LEU 73 C -0.0073 -0.0003 -0.0147 1109 LEU 73 O -0.0094 0.0006 -0.0137 1110 PHE 74 N -0.0049 0.0010 -0.0077 1111 PHE 74 HN -0.0038 0.0010 -0.0086 1112 PHE 74 CA -0.0046 0.0010 -0.0082 1113 PHE 74 HA -0.0059 0.0010 -0.0071 1114 PHE 74 CB -0.0051 0.0010 -0.0108 1115 PHE 74 HB1 -0.0047 0.0010 -0.0112 1116 PHE 74 HB2 -0.0039 0.0010 -0.0119 1117 PHE 74 CG -0.0076 0.0009 -0.0114 1118 PHE 74 CD1 -0.0083 0.0008 -0.0123 1119 PHE 74 HD1 -0.0071 0.0009 -0.0123 1120 PHE 74 CE1 -0.0106 0.0008 -0.0129 1121 PHE 74 HE1 -0.0112 0.0007 -0.0135 1122 PHE 74 CZ -0.0122 0.0007 -0.0128 1123 PHE 74 HZ -0.0140 0.0007 -0.0134 1124 PHE 74 CD2 -0.0092 0.0008 -0.0113 1125 PHE 74 HD2 -0.0086 0.0009 -0.0107 1126 PHE 74 CE2 -0.0115 0.0008 -0.0120 1127 PHE 74 HE2 -0.0127 0.0007 -0.0119 1128 PHE 74 C -0.0022 0.0011 -0.0076 1129 PHE 74 O -0.0005 0.0011 -0.0073 1130 HIS 75 N -0.0019 0.0015 -0.0034 1131 HIS 75 HN -0.0030 0.0008 -0.0030 1132 HIS 75 CA -0.0009 0.0027 -0.0025 1133 HIS 75 HA 0.0002 0.0034 -0.0031 1134 HIS 75 CB -0.0012 0.0032 -0.0005 1135 HIS 75 HB1 -0.0023 0.0024 0.0002 1136 HIS 75 HB2 -0.0010 0.0033 -0.0005 1137 HIS 75 CD2 0.0009 0.0052 0.0003 1138 HIS 75 HD2 0.0015 0.0052 -0.0009 1139 HIS 75 CG -0.0002 0.0044 0.0007 1140 HIS 75 NE2 0.0014 0.0061 0.0019 1141 HIS 75 HE2 0.0022 0.0069 0.0021 1142 HIS 75 ND1 -0.0005 0.0048 0.0024 1143 HIS 75 HD1 -0.0013 0.0044 0.0031 1144 HIS 75 CE1 0.0005 0.0059 0.0031 1145 HIS 75 HE1 0.0006 0.0065 0.0045 1146 HIS 75 C -0.0011 0.0025 -0.0027 1147 HIS 75 O -0.0023 0.0016 -0.0022 1148 LEU 76 N 0.0013 -0.0008 0.0018 1149 LEU 76 HN 0.0024 -0.0001 0.0013 1150 LEU 76 CA 0.0012 -0.0010 0.0017 1151 LEU 76 HA 0.0001 -0.0022 0.0017 1152 LEU 76 CB 0.0025 -0.0008 -0.0001 1153 LEU 76 HB1 0.0023 -0.0010 -0.0002 1154 LEU 76 HB2 0.0036 0.0005 0.0000 1155 LEU 76 CG 0.0026 -0.0017 -0.0020 1156 LEU 76 HG 0.0027 -0.0015 -0.0018 1157 LEU 76 CD1 0.0040 -0.0012 -0.0036 1158 LEU 76 HD11 0.0040 -0.0013 -0.0037 1159 LEU 76 HD12 0.0041 -0.0019 -0.0050 1160 LEU 76 HD13 0.0051 0.0000 -0.0033 1161 LEU 76 CD2 0.0012 -0.0035 -0.0025 1162 LEU 76 HD21 0.0001 -0.0039 -0.0013 1163 LEU 76 HD22 0.0013 -0.0041 -0.0038 1164 LEU 76 HD23 0.0010 -0.0037 -0.0026 1165 LEU 76 C 0.0014 0.0002 0.0034 1166 LEU 76 O 0.0026 0.0016 0.0037 1167 GLU 77 N 0.0029 0.0005 0.0060 1168 GLU 77 HN 0.0024 0.0005 0.0057 1169 GLU 77 CA 0.0025 0.0006 0.0059 1170 GLU 77 HA 0.0031 0.0007 0.0063 1171 GLU 77 CB 0.0015 0.0014 0.0059 1172 GLU 77 HB1 0.0013 0.0014 0.0058 1173 GLU 77 HB2 0.0009 0.0013 0.0055 1174 GLU 77 CG 0.0017 0.0024 0.0068 1175 GLU 77 HG1 0.0017 0.0025 0.0068 1176 GLU 77 HG2 0.0025 0.0023 0.0072 1177 GLU 77 CD 0.0010 0.0032 0.0070 1178 GLU 77 OE1 0.0001 0.0035 0.0067 1179 GLU 77 OE2 0.0014 0.0036 0.0075 1180 GLU 77 C 0.0024 -0.0004 0.0051 1181 GLU 77 O 0.0017 -0.0006 0.0045 1182 HIS 78 N 0.0117 -0.0073 0.0056 1183 HIS 78 HN 0.0117 -0.0076 0.0058 1184 HIS 78 CA 0.0121 -0.0066 0.0052 1185 HIS 78 HA 0.0120 -0.0063 0.0049 1186 HIS 78 CB 0.0120 -0.0063 0.0049 1187 HIS 78 HB1 0.0125 -0.0059 0.0047 1188 HIS 78 HB2 0.0121 -0.0067 0.0052 1189 HIS 78 CD2 0.0105 -0.0063 0.0047 1190 HIS 78 HD2 0.0103 -0.0067 0.0050 1191 HIS 78 CG 0.0112 -0.0060 0.0046 1192 HIS 78 NE2 0.0099 -0.0058 0.0042 1193 HIS 78 HE2 0.0093 -0.0058 0.0042 1194 HIS 78 ND1 0.0111 -0.0053 0.0041 1195 HIS 78 HD1 0.0115 -0.0050 0.0039 1196 HIS 78 CE1 0.0103 -0.0052 0.0039 1197 HIS 78 HE1 0.0100 -0.0047 0.0035 1198 HIS 78 C 0.0131 -0.0067 0.0053 1199 HIS 78 O 0.0134 -0.0071 0.0057 1200 HIS 79 N 0.0138 -0.0086 0.0060 1201 HIS 79 HN 0.0130 -0.0071 0.0053 1202 HIS 79 CA 0.0148 -0.0109 0.0026 1203 HIS 79 HA 0.0161 -0.0133 0.0038 1204 HIS 79 CB 0.0134 -0.0086 -0.0003 1205 HIS 79 HB1 0.0141 -0.0103 -0.0032 1206 HIS 79 HB2 0.0120 -0.0060 -0.0013 1207 HIS 79 CD2 0.0111 -0.0039 0.0025 1208 HIS 79 HD2 0.0097 -0.0011 0.0021 1209 HIS 79 CG 0.0129 -0.0074 0.0018 1210 HIS 79 NE2 0.0115 -0.0044 0.0038 1211 HIS 79 HE2 0.0105 -0.0024 0.0047 1212 HIS 79 ND1 0.0144 -0.0101 0.0024 1213 HIS 79 HD1 0.0158 -0.0129 0.0020 1214 HIS 79 CE1 0.0135 -0.0082 0.0037 1215 HIS 79 HE1 0.0142 -0.0095 0.0046 1216 HIS 79 C 0.0153 -0.0123 -0.0004 1217 HIS 79 O 0.0140 -0.0101 -0.0024 1218 GLY 80 N 0.0165 -0.0297 -0.0034 1219 GLY 80 HN 0.0167 -0.0328 -0.0025 1220 GLY 80 CA 0.0168 -0.0311 -0.0048 1221 GLY 80 HA1 0.0170 -0.0296 -0.0090 1222 GLY 80 HA2 0.0171 -0.0356 -0.0044 1223 GLY 80 C 0.0161 -0.0286 -0.0009 1224 GLY 80 O 0.0157 -0.0292 0.0042 1225 GLY 81 N 0.0142 -0.0260 0.0007 1226 GLY 81 HN 0.0139 -0.0259 -0.0039 1227 GLY 81 CA 0.0141 -0.0232 0.0043 1228 GLY 81 HA1 0.0139 -0.0234 0.0016 1229 GLY 81 HA2 0.0147 -0.0256 0.0087 1230 GLY 81 C 0.0133 -0.0165 0.0060 1231 GLY 81 O 0.0133 -0.0138 0.0097 1232 LYS 82 N 0.0125 -0.0132 0.0019 1233 LYS 82 HN 0.0127 -0.0146 0.0006 1234 LYS 82 CA 0.0117 -0.0095 0.0026 1235 LYS 82 HA 0.0114 -0.0081 0.0027 1236 LYS 82 CB 0.0110 -0.0080 -0.0006 1237 LYS 82 HB1 0.0104 -0.0051 0.0000 1238 LYS 82 HB2 0.0113 -0.0094 -0.0007 1239 LYS 82 CG 0.0107 -0.0083 -0.0042 1240 LYS 82 HG1 0.0113 -0.0111 -0.0047 1241 LYS 82 HG2 0.0104 -0.0067 -0.0041 1242 LYS 82 CD 0.0102 -0.0072 -0.0075 1243 LYS 82 HD1 0.0095 -0.0043 -0.0072 1244 LYS 82 HD2 0.0105 -0.0087 -0.0073 1245 LYS 82 CE 0.0100 -0.0081 -0.0112 1246 LYS 82 HE1 0.0096 -0.0074 -0.0134 1247 LYS 82 HE2 0.0106 -0.0110 -0.0115 1248 LYS 82 NZ 0.0095 -0.0062 -0.0117 1249 LYS 82 HZ1 0.0089 -0.0034 -0.0114 1250 LYS 82 HZ2 0.0098 -0.0069 -0.0099 1251 LYS 82 HZ3 0.0093 -0.0066 -0.0143 1252 LYS 82 C 0.0119 -0.0088 0.0062 1253 LYS 82 O 0.0125 -0.0108 0.0073 1254 VAL 83 N 0.0078 -0.0020 0.0078 1255 VAL 83 HN 0.0082 -0.0018 0.0081 1256 VAL 83 CA 0.0083 -0.0015 0.0079 1257 VAL 83 HA 0.0079 -0.0017 0.0072 1258 VAL 83 CB 0.0085 -0.0018 0.0092 1259 VAL 83 HB 0.0078 -0.0027 0.0094 1260 VAL 83 CG1 0.0091 -0.0016 0.0102 1261 VAL 83 HG11 0.0092 -0.0019 0.0112 1262 VAL 83 HG12 0.0088 -0.0019 0.0102 1263 VAL 83 HG13 0.0098 -0.0007 0.0101 1264 VAL 83 CG2 0.0089 -0.0014 0.0091 1265 VAL 83 HG21 0.0089 -0.0017 0.0100 1266 VAL 83 HG22 0.0095 -0.0006 0.0090 1267 VAL 83 HG23 0.0084 -0.0016 0.0084 1268 VAL 83 C 0.0091 -0.0004 0.0075 1269 VAL 83 O 0.0096 0.0001 0.0078 1270 SER 84 N 0.0009 0.0017 0.0058 1271 SER 84 HN 0.0016 0.0015 0.0063 1272 SER 84 CA 0.0000 0.0029 0.0062 1273 SER 84 HA -0.0006 0.0031 0.0056 1274 SER 84 CB -0.0006 0.0034 0.0061 1275 SER 84 HB1 0.0000 0.0033 0.0068 1276 SER 84 HB2 -0.0008 0.0030 0.0051 1277 SER 84 OG -0.0016 0.0045 0.0064 1278 SER 84 HG1 -0.0019 0.0047 0.0062 1279 SER 84 C 0.0004 0.0034 0.0076 1280 SER 84 O 0.0013 0.0030 0.0083 1281 ILE 85 N -0.0029 0.0022 0.0053 1282 ILE 85 HN -0.0036 0.0017 0.0053 1283 ILE 85 CA -0.0025 0.0021 0.0049 1284 ILE 85 HA -0.0017 0.0026 0.0048 1285 ILE 85 CB -0.0027 0.0013 0.0038 1286 ILE 85 HB -0.0036 0.0008 0.0040 1287 ILE 85 CG2 -0.0023 0.0012 0.0033 1288 ILE 85 HG21 -0.0024 0.0006 0.0026 1289 ILE 85 HG22 -0.0027 0.0013 0.0039 1290 ILE 85 HG23 -0.0014 0.0018 0.0032 1291 ILE 85 CG1 -0.0023 0.0010 0.0030 1292 ILE 85 HG11 -0.0025 0.0003 0.0023 1293 ILE 85 HG12 -0.0028 0.0009 0.0033 1294 ILE 85 CD -0.0011 0.0016 0.0027 1295 ILE 85 HD1 -0.0009 0.0014 0.0022 1296 ILE 85 HD2 -0.0007 0.0016 0.0023 1297 ILE 85 HD3 -0.0009 0.0023 0.0035 1298 ILE 85 C -0.0032 0.0022 0.0057 1299 ILE 85 O -0.0042 0.0017 0.0060 1300 LYS 86 N -0.0064 0.0031 0.0007 1301 LYS 86 HN -0.0060 0.0035 0.0006 1302 LYS 86 CA -0.0069 0.0027 0.0013 1303 LYS 86 HA -0.0074 0.0022 0.0013 1304 LYS 86 CB -0.0067 0.0029 0.0022 1305 LYS 86 HB1 -0.0066 0.0030 0.0025 1306 LYS 86 HB2 -0.0071 0.0026 0.0027 1307 LYS 86 CG -0.0061 0.0035 0.0024 1308 LYS 86 HG1 -0.0061 0.0035 0.0023 1309 LYS 86 HG2 -0.0057 0.0039 0.0020 1310 LYS 86 CD -0.0059 0.0037 0.0034 1311 LYS 86 HD1 -0.0058 0.0038 0.0035 1312 LYS 86 HD2 -0.0063 0.0034 0.0038 1313 LYS 86 CE -0.0053 0.0043 0.0036 1314 LYS 86 HE1 -0.0054 0.0042 0.0036 1315 LYS 86 HE2 -0.0049 0.0047 0.0032 1316 LYS 86 NZ -0.0051 0.0045 0.0045 1317 LYS 86 HZ1 -0.0055 0.0042 0.0049 1318 LYS 86 HZ2 -0.0048 0.0049 0.0044 1319 LYS 86 HZ3 -0.0049 0.0047 0.0048 1320 LYS 86 C -0.0069 0.0026 0.0009 1321 LYS 86 O -0.0065 0.0030 0.0004 1322 GLY 87 N -0.0107 0.0037 -0.0023 1323 GLY 87 HN -0.0105 0.0025 -0.0008 1324 GLY 87 CA -0.0108 0.0029 -0.0047 1325 GLY 87 HA1 -0.0108 0.0011 -0.0052 1326 GLY 87 HA2 -0.0109 0.0044 -0.0061 1327 GLY 87 C -0.0108 0.0025 -0.0047 1328 GLY 87 O -0.0107 0.0033 -0.0029 1329 HIS 88 N -0.0100 0.0031 -0.0094 1330 HIS 88 HN -0.0096 0.0023 -0.0107 1331 HIS 88 CA -0.0099 0.0029 -0.0107 1332 HIS 88 HA -0.0107 0.0051 -0.0105 1333 HIS 88 CB -0.0094 0.0021 -0.0142 1334 HIS 88 HB1 -0.0085 -0.0003 -0.0145 1335 HIS 88 HB2 -0.0098 0.0035 -0.0154 1336 HIS 88 CD2 -0.0088 0.0008 -0.0176 1337 HIS 88 HD2 -0.0080 -0.0013 -0.0186 1338 HIS 88 CG -0.0095 0.0026 -0.0157 1339 HIS 88 NE2 -0.0093 0.0023 -0.0181 1340 HIS 88 HE2 -0.0090 0.0016 -0.0194 1341 HIS 88 ND1 -0.0104 0.0051 -0.0150 1342 HIS 88 HD1 -0.0111 0.0068 -0.0137 1343 HIS 88 CE1 -0.0103 0.0049 -0.0165 1344 HIS 88 HE1 -0.0108 0.0065 -0.0164 1345 HIS 88 C -0.0093 0.0009 -0.0087 1346 HIS 88 O -0.0086 -0.0012 -0.0071 1347 HIS 89 N -0.0117 0.0012 -0.0105 1348 HIS 89 HN -0.0124 0.0030 -0.0124 1349 HIS 89 CA -0.0109 -0.0009 -0.0076 1350 HIS 89 HA -0.0111 -0.0004 -0.0085 1351 HIS 89 CB -0.0099 -0.0056 -0.0077 1352 HIS 89 HB1 -0.0093 -0.0070 -0.0057 1353 HIS 89 HB2 -0.0096 -0.0064 -0.0066 1354 HIS 89 CD2 -0.0099 -0.0095 -0.0144 1355 HIS 89 HD2 -0.0097 -0.0104 -0.0139 1356 HIS 89 CG -0.0101 -0.0073 -0.0120 1357 HIS 89 NE2 -0.0102 -0.0106 -0.0178 1358 HIS 89 HE2 -0.0101 -0.0124 -0.0202 1359 HIS 89 ND1 -0.0104 -0.0071 -0.0138 1360 HIS 89 HD1 -0.0106 -0.0056 -0.0127 1361 HIS 89 CE1 -0.0104 -0.0091 -0.0173 1362 HIS 89 HE1 -0.0106 -0.0095 -0.0195 1363 HIS 89 C -0.0107 0.0008 -0.0032 1364 HIS 89 O -0.0100 -0.0008 -0.0003 1365 HIS 90 N -0.0080 -0.0022 -0.0038 1366 HIS 90 HN -0.0072 -0.0018 -0.0059 1367 HIS 90 CA -0.0083 -0.0010 -0.0018 1368 HIS 90 HA -0.0073 0.0005 -0.0030 1369 HIS 90 CB -0.0085 0.0010 0.0011 1370 HIS 90 HB1 -0.0088 0.0015 0.0027 1371 HIS 90 HB2 -0.0093 -0.0003 0.0023 1372 HIS 90 CD2 -0.0065 0.0043 -0.0015 1373 HIS 90 HD2 -0.0067 0.0027 -0.0025 1374 HIS 90 CG -0.0072 0.0038 0.0002 1375 HIS 90 NE2 -0.0054 0.0073 -0.0018 1376 HIS 90 HE2 -0.0047 0.0083 -0.0029 1377 HIS 90 ND1 -0.0065 0.0066 0.0010 1378 HIS 90 HD1 -0.0068 0.0071 0.0025 1379 HIS 90 CE1 -0.0054 0.0086 -0.0003 1380 HIS 90 HE1 -0.0047 0.0110 0.0000 1381 HIS 90 C -0.0092 -0.0032 -0.0010 1382 HIS 90 O -0.0097 -0.0025 0.0010 1383 HIS 91 N -0.0108 -0.0014 0.0019 1384 HIS 91 HN -0.0126 -0.0022 0.0014 1385 HIS 91 CA -0.0098 0.0002 0.0020 1386 HIS 91 HA -0.0078 -0.0001 0.0027 1387 HIS 91 CB -0.0110 -0.0006 0.0017 1388 HIS 91 HB1 -0.0101 0.0005 0.0019 1389 HIS 91 HB2 -0.0131 -0.0003 0.0011 1390 HIS 91 CD2 -0.0124 -0.0055 0.0019 1391 HIS 91 HD2 -0.0144 -0.0054 0.0013 1392 HIS 91 CG -0.0107 -0.0035 0.0022 1393 HIS 91 NE2 -0.0109 -0.0077 0.0026 1394 HIS 91 HE2 -0.0116 -0.0096 0.0026 1395 HIS 91 ND1 -0.0083 -0.0044 0.0030 1396 HIS 91 HD1 -0.0066 -0.0033 0.0034 1397 HIS 91 CE1 -0.0085 -0.0069 0.0033 1398 HIS 91 HE1 -0.0069 -0.0083 0.0039 1399 HIS 91 C -0.0101 0.0032 0.0016 1400 HIS 91 O -0.0119 0.0041 0.0009 1401 TYR 92 N -0.0083 0.0045 0.0027 1402 TYR 92 HN -0.0067 0.0044 0.0023 1403 TYR 92 CA -0.0085 0.0063 0.0035 1404 TYR 92 HA -0.0102 0.0060 0.0038 1405 TYR 92 CB -0.0065 0.0063 0.0030 1406 TYR 92 HB1 -0.0065 0.0079 0.0036 1407 TYR 92 HB2 -0.0048 0.0063 0.0026 1408 TYR 92 CG -0.0068 0.0043 0.0023 1409 TYR 92 CD1 -0.0061 0.0022 0.0014 1410 TYR 92 HD1 -0.0053 0.0019 0.0011 1411 TYR 92 CE1 -0.0064 0.0004 0.0007 1412 TYR 92 HE1 -0.0059 -0.0013 -0.0000 1413 TYR 92 CZ -0.0075 0.0007 0.0011 1414 TYR 92 OH -0.0079 -0.0012 0.0005 1415 TYR 92 HH -0.0088 -0.0007 0.0009 1416 TYR 92 CD2 -0.0078 0.0046 0.0027 1417 TYR 92 HD2 -0.0083 0.0063 0.0034 1418 TYR 92 CE2 -0.0081 0.0028 0.0021 1419 TYR 92 HE2 -0.0089 0.0031 0.0024 1420 TYR 92 C -0.0085 0.0086 0.0044 1421 TYR 92 O -0.0071 0.0092 0.0043 1422 ILE 93 N -0.0084 0.0072 0.0037 1423 ILE 93 HN -0.0084 0.0083 0.0035 1424 ILE 93 CA -0.0086 0.0069 0.0030 1425 ILE 93 HA -0.0089 0.0056 0.0028 1426 ILE 93 CB -0.0091 0.0079 0.0016 1427 ILE 93 HB -0.0089 0.0091 0.0019 1428 ILE 93 CG2 -0.0095 0.0076 0.0006 1429 ILE 93 HG21 -0.0098 0.0083 -0.0005 1430 ILE 93 HG22 -0.0097 0.0063 0.0003 1431 ILE 93 HG23 -0.0093 0.0080 0.0011 1432 ILE 93 CG1 -0.0094 0.0075 0.0008 1433 ILE 93 HG11 -0.0097 0.0063 0.0003 1434 ILE 93 HG12 -0.0091 0.0075 0.0016 1435 ILE 93 CD -0.0097 0.0087 -0.0005 1436 ILE 93 HD1 -0.0095 0.0099 -0.0000 1437 ILE 93 HD2 -0.0100 0.0084 -0.0010 1438 ILE 93 HD3 -0.0101 0.0088 -0.0013 1439 ILE 93 C -0.0082 0.0071 0.0042 1440 ILE 93 O -0.0079 0.0084 0.0047 1441 SER 94 N -0.0080 0.0148 0.0077 1442 SER 94 HN -0.0079 0.0146 0.0075 1443 SER 94 CA -0.0069 0.0153 0.0083 1444 SER 94 HA -0.0071 0.0155 0.0084 1445 SER 94 CB -0.0056 0.0146 0.0077 1446 SER 94 HB1 -0.0052 0.0145 0.0077 1447 SER 94 HB2 -0.0058 0.0139 0.0070 1448 SER 94 OG -0.0045 0.0149 0.0081 1449 SER 94 HG1 -0.0041 0.0155 0.0087 1450 SER 94 C -0.0066 0.0163 0.0092 1451 SER 94 O -0.0066 0.0163 0.0092 1452 ALA 95 N -0.0051 0.0171 0.0146 1453 ALA 95 HN -0.0055 0.0167 0.0142 1454 ALA 95 CA -0.0050 0.0169 0.0149 1455 ALA 95 HA -0.0045 0.0172 0.0154 1456 ALA 95 CB -0.0051 0.0157 0.0151 1457 ALA 95 HB1 -0.0055 0.0153 0.0146 1458 ALA 95 HB2 -0.0049 0.0155 0.0153 1459 ALA 95 HB3 -0.0047 0.0155 0.0156 1460 ALA 95 C -0.0054 0.0172 0.0142 1461 ALA 95 O -0.0059 0.0170 0.0135 1462 ASP 96 N -0.0090 0.0163 0.0134 1463 ASP 96 HN -0.0091 0.0161 0.0129 1464 ASP 96 CA -0.0088 0.0160 0.0139 1465 ASP 96 HA -0.0087 0.0160 0.0143 1466 ASP 96 CB -0.0088 0.0153 0.0137 1467 ASP 96 HB1 -0.0087 0.0150 0.0141 1468 ASP 96 HB2 -0.0089 0.0153 0.0133 1469 ASP 96 CG -0.0088 0.0148 0.0136 1470 ASP 96 OD1 -0.0088 0.0143 0.0133 1471 ASP 96 OD2 -0.0088 0.0151 0.0137 1472 ASP 96 C -0.0088 0.0164 0.0141 1473 ASP 96 O -0.0089 0.0169 0.0137 1474 HIS 97 N -0.0113 0.0234 0.0124 1475 HIS 97 HN -0.0134 0.0260 0.0106 1476 HIS 97 CA -0.0117 0.0189 0.0113 1477 HIS 97 HA -0.0111 0.0157 0.0115 1478 HIS 97 CB -0.0155 0.0188 0.0074 1479 HIS 97 HB1 -0.0157 0.0153 0.0067 1480 HIS 97 HB2 -0.0162 0.0220 0.0072 1481 HIS 97 CD2 -0.0191 0.0153 0.0031 1482 HIS 97 HD2 -0.0182 0.0114 0.0035 1483 HIS 97 CG -0.0181 0.0190 0.0047 1484 HIS 97 NE2 -0.0217 0.0175 0.0007 1485 HIS 97 HE2 -0.0227 0.0160 -0.0004 1486 HIS 97 ND1 -0.0201 0.0235 0.0033 1487 HIS 97 HD1 -0.0199 0.0268 0.0040 1488 HIS 97 CE1 -0.0222 0.0224 0.0010 1489 HIS 97 HE1 -0.0241 0.0251 -0.0005 1490 HIS 97 C -0.0092 0.0183 0.0138 1491 HIS 97 O -0.0084 0.0142 0.0141 1492 HIS 98 N -0.0077 0.0140 0.0158 1493 HIS 98 HN -0.0076 0.0147 0.0152 1494 HIS 98 CA -0.0067 0.0139 0.0167 1495 HIS 98 HA -0.0068 0.0132 0.0173 1496 HIS 98 CB -0.0066 0.0139 0.0169 1497 HIS 98 HB1 -0.0065 0.0146 0.0163 1498 HIS 98 HB2 -0.0072 0.0132 0.0169 1499 HIS 98 CD2 -0.0048 0.0144 0.0181 1500 HIS 98 HD2 -0.0047 0.0151 0.0176 1501 HIS 98 CG -0.0056 0.0138 0.0179 1502 HIS 98 NE2 -0.0041 0.0140 0.0191 1503 HIS 98 HE2 -0.0035 0.0142 0.0195 1504 HIS 98 ND1 -0.0054 0.0130 0.0187 1505 HIS 98 HD1 -0.0059 0.0124 0.0188 1506 HIS 98 CE1 -0.0045 0.0131 0.0195 1507 HIS 98 HE1 -0.0042 0.0126 0.0202 1508 HIS 98 C -0.0058 0.0148 0.0168 1509 HIS 98 O -0.0058 0.0156 0.0160 1510 GLY 99 N -0.0071 0.0095 0.0157 1511 GLY 99 HN -0.0074 0.0108 0.0161 1512 GLY 99 CA -0.0080 0.0081 0.0144 1513 GLY 99 HA1 -0.0071 0.0067 0.0144 1514 GLY 99 HA2 -0.0086 0.0086 0.0140 1515 GLY 99 C -0.0092 0.0078 0.0132 1516 GLY 99 O -0.0097 0.0089 0.0134 1517 HIS 100 N -0.0135 0.0012 0.0086 1518 HIS 100 HN -0.0135 -0.0007 0.0084 1519 HIS 100 CA -0.0134 0.0029 0.0071 1520 HIS 100 HA -0.0132 0.0040 0.0057 1521 HIS 100 CB -0.0131 0.0011 0.0055 1522 HIS 100 HB1 -0.0130 0.0023 0.0044 1523 HIS 100 HB2 -0.0133 -0.0002 0.0070 1524 HIS 100 CD2 -0.0127 -0.0002 0.0016 1525 HIS 100 HD2 -0.0126 0.0017 0.0011 1526 HIS 100 CG -0.0129 -0.0007 0.0036 1527 HIS 100 NE2 -0.0125 -0.0026 0.0003 1528 HIS 100 HE2 -0.0123 -0.0029 -0.0014 1529 HIS 100 ND1 -0.0129 -0.0034 0.0035 1530 HIS 100 HD1 -0.0130 -0.0044 0.0047 1531 HIS 100 CE1 -0.0126 -0.0044 0.0015 1532 HIS 100 HE1 -0.0125 -0.0065 0.0008 1533 HIS 100 C -0.0136 0.0048 0.0087 1534 HIS 100 O -0.0138 0.0041 0.0106 1535 VAL 101 N -0.0100 0.0070 0.0075 1536 VAL 101 HN -0.0101 0.0073 0.0068 1537 VAL 101 CA -0.0102 0.0079 0.0077 1538 VAL 101 HA -0.0102 0.0080 0.0087 1539 VAL 101 CB -0.0104 0.0091 0.0071 1540 VAL 101 HB -0.0104 0.0090 0.0061 1541 VAL 101 CG1 -0.0106 0.0101 0.0071 1542 VAL 101 HG11 -0.0106 0.0097 0.0066 1543 VAL 101 HG12 -0.0106 0.0103 0.0081 1544 VAL 101 HG13 -0.0108 0.0110 0.0066 1545 VAL 101 CG2 -0.0105 0.0097 0.0078 1546 VAL 101 HG21 -0.0105 0.0099 0.0088 1547 VAL 101 HG22 -0.0104 0.0091 0.0078 1548 VAL 101 HG23 -0.0107 0.0106 0.0074 1549 VAL 101 C -0.0101 0.0073 0.0072 1550 VAL 101 O -0.0100 0.0066 0.0062 1551 SER 102 N -0.0143 0.0109 0.0009 1552 SER 102 HN -0.0139 0.0114 0.0013 1553 SER 102 CA -0.0145 0.0104 0.0014 1554 SER 102 HA -0.0148 0.0101 0.0008 1555 SER 102 CB -0.0149 0.0096 0.0022 1556 SER 102 HB1 -0.0153 0.0091 0.0018 1557 SER 102 HB2 -0.0152 0.0091 0.0025 1558 SER 102 OG -0.0146 0.0099 0.0032 1559 SER 102 HG1 -0.0145 0.0099 0.0030 1560 SER 102 C -0.0140 0.0111 0.0020 1561 SER 102 O -0.0136 0.0119 0.0016 1562 THR 103 N -0.0127 0.0125 0.0005 1563 THR 103 HN -0.0127 0.0123 0.0006 1564 THR 103 CA -0.0120 0.0117 0.0011 1565 THR 103 HA -0.0113 0.0122 0.0010 1566 THR 103 CB -0.0131 0.0109 0.0014 1567 THR 103 HB -0.0137 0.0116 0.0009 1568 THR 103 OG1 -0.0125 0.0102 0.0020 1569 THR 103 HG1 -0.0132 0.0099 0.0020 1570 THR 103 CG2 -0.0142 0.0101 0.0017 1571 THR 103 HG21 -0.0150 0.0096 0.0018 1572 THR 103 HG22 -0.0147 0.0106 0.0012 1573 THR 103 HG23 -0.0136 0.0094 0.0022 1574 THR 103 C -0.0113 0.0109 0.0018 1575 THR 103 O -0.0117 0.0106 0.0019 1576 LYS 104 N -0.0038 0.0124 0.0029 1577 LYS 104 HN -0.0052 0.0117 0.0031 1578 LYS 104 CA -0.0016 0.0113 0.0010 1579 LYS 104 HA -0.0012 0.0112 0.0007 1580 LYS 104 CB 0.0010 0.0129 0.0006 1581 LYS 104 HB1 0.0014 0.0149 0.0015 1582 LYS 104 HB2 0.0027 0.0121 -0.0008 1583 LYS 104 CG 0.0010 0.0132 0.0007 1584 LYS 104 HG1 0.0011 0.0114 -0.0004 1585 LYS 104 HG2 -0.0009 0.0137 0.0020 1586 LYS 104 CD 0.0034 0.0154 0.0007 1587 LYS 104 HD1 0.0031 0.0173 0.0020 1588 LYS 104 HD2 0.0052 0.0150 -0.0005 1589 LYS 104 CE 0.0036 0.0155 0.0007 1590 LYS 104 HE1 0.0037 0.0135 -0.0006 1591 LYS 104 HE2 0.0018 0.0159 0.0019 1592 LYS 104 NZ 0.0059 0.0174 0.0005 1593 LYS 104 HZ1 0.0064 0.0167 -0.0002 1594 LYS 104 HZ2 0.0076 0.0176 -0.0002 1595 LYS 104 HZ3 0.0056 0.0192 0.0017 1596 LYS 104 C -0.0022 0.0085 -0.0003 1597 LYS 104 O -0.0041 0.0076 0.0002 1598 GLU 105 N 0.0020 0.0133 -0.0024 1599 GLU 105 HN 0.0051 0.0166 -0.0039 1600 GLU 105 CA 0.0019 0.0053 -0.0057 1601 GLU 105 HA -0.0026 0.0018 -0.0029 1602 GLU 105 CB 0.0043 0.0028 -0.0091 1603 GLU 105 HB1 0.0091 0.0063 -0.0121 1604 GLU 105 HB2 0.0014 0.0040 -0.0058 1605 GLU 105 CG 0.0041 -0.0058 -0.0125 1606 GLU 105 HG1 -0.0006 -0.0094 -0.0096 1607 GLU 105 HG2 0.0072 -0.0072 -0.0161 1608 GLU 105 CD 0.0058 -0.0082 -0.0152 1609 GLU 105 OE1 0.0016 -0.0109 -0.0124 1610 GLU 105 OE2 0.0114 -0.0073 -0.0201 1611 GLU 105 C 0.0058 0.0040 -0.0100 1612 GLU 105 O 0.0107 0.0085 -0.0127 1613 HIS 106 N 0.0080 -0.0035 -0.0142 1614 HIS 106 HN -0.0054 -0.0104 -0.0159 1615 HIS 106 CA 0.0073 -0.0052 -0.0159 1616 HIS 106 HA -0.0053 -0.0165 -0.0235 1617 HIS 106 CB 0.0284 -0.0062 -0.0278 1618 HIS 106 HB1 0.0253 -0.0086 -0.0292 1619 HIS 106 HB2 0.0425 0.0049 -0.0213 1620 HIS 106 CD2 0.0531 -0.0190 -0.0560 1621 HIS 106 HD2 0.0677 -0.0091 -0.0512 1622 HIS 106 CG 0.0347 -0.0193 -0.0471 1623 HIS 106 NE2 0.0497 -0.0343 -0.0731 1624 HIS 106 HE2 0.0583 -0.0377 -0.0816 1625 HIS 106 ND1 0.0199 -0.0346 -0.0584 1626 HIS 106 HD1 0.0052 -0.0383 -0.0556 1627 HIS 106 CE1 0.0295 -0.0432 -0.0739 1628 HIS 106 HE1 0.0221 -0.0558 -0.0857 1629 HIS 106 C -0.0010 0.0062 0.0023 1630 HIS 106 O 0.0044 0.0201 0.0166 1631 HIS 107 N -0.0014 0.0059 -0.0010 1632 HIS 107 HN -0.0016 0.0049 -0.0018 1633 HIS 107 CA -0.0020 0.0064 0.0000 1634 HIS 107 HA -0.0026 0.0070 0.0011 1635 HIS 107 CB -0.0033 0.0050 -0.0003 1636 HIS 107 HB1 -0.0027 0.0043 -0.0015 1637 HIS 107 HB2 -0.0043 0.0043 -0.0000 1638 HIS 107 CD2 -0.0033 0.0054 0.0002 1639 HIS 107 HD2 -0.0024 0.0051 -0.0009 1640 HIS 107 CG -0.0038 0.0054 0.0006 1641 HIS 107 NE2 -0.0041 0.0059 0.0014 1642 HIS 107 HE2 -0.0040 0.0061 0.0015 1643 HIS 107 ND1 -0.0049 0.0059 0.0021 1644 HIS 107 HD1 -0.0055 0.0060 0.0027 1645 HIS 107 CE1 -0.0051 0.0062 0.0025 1646 HIS 107 HE1 -0.0059 0.0066 0.0037 1647 HIS 107 C -0.0008 0.0075 -0.0000 1648 HIS 107 O 0.0003 0.0074 -0.0012 1649 ASP 108 N -0.0009 0.0095 0.0019 1650 ASP 108 HN -0.0019 0.0094 0.0034 1651 ASP 108 CA 0.0004 0.0108 0.0019 1652 ASP 108 HA 0.0008 0.0101 0.0003 1653 ASP 108 CB 0.0022 0.0128 0.0021 1654 ASP 108 HB1 0.0018 0.0136 0.0038 1655 ASP 108 HB2 0.0027 0.0124 0.0008 1656 ASP 108 CG 0.0039 0.0142 0.0015 1657 ASP 108 OD1 0.0037 0.0138 0.0013 1658 ASP 108 OD2 0.0054 0.0157 0.0014 1659 ASP 108 C -0.0007 0.0110 0.0040 1660 ASP 108 O -0.0022 0.0105 0.0055 1661 HIS 109 N -0.0032 0.0121 0.0025 1662 HIS 109 HN -0.0036 0.0134 0.0008 1663 HIS 109 CA -0.0031 0.0106 0.0031 1664 HIS 109 HA -0.0028 0.0088 0.0043 1665 HIS 109 CB -0.0038 0.0095 0.0005 1666 HIS 109 HB1 -0.0037 0.0090 0.0010 1667 HIS 109 HB2 -0.0041 0.0112 -0.0010 1668 HIS 109 CD2 -0.0048 0.0065 -0.0029 1669 HIS 109 HD2 -0.0052 0.0078 -0.0047 1670 HIS 109 CG -0.0041 0.0070 -0.0005 1671 HIS 109 NE2 -0.0049 0.0037 -0.0029 1672 HIS 109 HE2 -0.0053 0.0028 -0.0044 1673 HIS 109 ND1 -0.0038 0.0045 0.0010 1674 HIS 109 HD1 -0.0034 0.0043 0.0028 1675 HIS 109 CE1 -0.0043 0.0027 -0.0006 1676 HIS 109 HE1 -0.0042 0.0006 0.0001 1677 HIS 109 C -0.0026 0.0122 0.0050 1678 HIS 109 O -0.0022 0.0109 0.0064 1679 ASP 110 N -0.0032 0.0147 0.0075 1680 ASP 110 HN -0.0034 0.0151 0.0069 1681 ASP 110 CA -0.0031 0.0155 0.0084 1682 ASP 110 HA -0.0031 0.0154 0.0083 1683 ASP 110 CB -0.0033 0.0170 0.0084 1684 ASP 110 HB1 -0.0033 0.0176 0.0092 1685 ASP 110 HB2 -0.0033 0.0170 0.0084 1686 ASP 110 CG -0.0037 0.0177 0.0071 1687 ASP 110 OD1 -0.0037 0.0172 0.0063 1688 ASP 110 OD2 -0.0038 0.0189 0.0071 1689 ASP 110 C -0.0028 0.0152 0.0099 1690 ASP 110 O -0.0027 0.0155 0.0108 1691 THR 111 N -0.0022 0.0122 0.0066 1692 THR 111 HN -0.0020 0.0116 0.0056 1693 THR 111 CA -0.0029 0.0115 0.0076 1694 THR 111 HA -0.0030 0.0122 0.0085 1695 THR 111 CB -0.0029 0.0110 0.0072 1696 THR 111 HB -0.0034 0.0107 0.0082 1697 THR 111 OG1 -0.0029 0.0098 0.0062 1698 THR 111 HG1 -0.0033 0.0090 0.0067 1699 THR 111 CG2 -0.0022 0.0122 0.0067 1700 THR 111 HG21 -0.0017 0.0125 0.0057 1701 THR 111 HG22 -0.0022 0.0118 0.0064 1702 THR 111 HG23 -0.0022 0.0131 0.0074 1703 THR 111 C -0.0035 0.0103 0.0080 1704 THR 111 O -0.0041 0.0094 0.0087 1705 THR 112 N 0.0001 0.0099 0.0088 1706 THR 112 HN -0.0006 0.0109 0.0072 1707 THR 112 CA 0.0010 0.0071 0.0084 1708 THR 112 HA 0.0017 0.0062 0.0104 1709 THR 112 CB 0.0011 0.0058 0.0062 1710 THR 112 HB 0.0005 0.0065 0.0042 1711 THR 112 OG1 0.0010 0.0064 0.0067 1712 THR 112 HG1 0.0003 0.0082 0.0066 1713 THR 112 CG2 0.0022 0.0028 0.0061 1714 THR 112 HG21 0.0028 0.0021 0.0081 1715 THR 112 HG22 0.0022 0.0020 0.0046 1716 THR 112 HG23 0.0023 0.0022 0.0054 1717 THR 112 C 0.0011 0.0064 0.0076 1718 THR 112 O 0.0004 0.0075 0.0058 1719 PHE 113 N 0.0057 0.0042 0.0118 1720 PHE 113 HN 0.0063 0.0035 0.0130 1721 PHE 113 CA 0.0057 0.0040 0.0110 1722 PHE 113 HA 0.0051 0.0046 0.0096 1723 PHE 113 CB 0.0054 0.0047 0.0128 1724 PHE 113 HB1 0.0053 0.0047 0.0121 1725 PHE 113 HB2 0.0062 0.0039 0.0141 1726 PHE 113 CG 0.0042 0.0065 0.0136 1727 PHE 113 CD1 0.0042 0.0069 0.0158 1728 PHE 113 HD1 0.0051 0.0060 0.0169 1729 PHE 113 CE1 0.0031 0.0086 0.0165 1730 PHE 113 HE1 0.0031 0.0089 0.0182 1731 PHE 113 CZ 0.0020 0.0099 0.0151 1732 PHE 113 HZ 0.0012 0.0112 0.0157 1733 PHE 113 CD2 0.0031 0.0078 0.0122 1734 PHE 113 HD2 0.0031 0.0075 0.0106 1735 PHE 113 CE2 0.0020 0.0095 0.0130 1736 PHE 113 HE2 0.0011 0.0104 0.0119 1737 PHE 113 C 0.0070 0.0021 0.0106 1738 PHE 113 O 0.0079 0.0010 0.0112 1739 GLU 114 N 0.0146 -0.0030 0.0153 1740 GLU 114 HN 0.0142 -0.0013 0.0150 1741 GLU 114 CA 0.0156 -0.0078 0.0151 1742 GLU 114 HA 0.0165 -0.0092 0.0165 1743 GLU 114 CB 0.0143 -0.0097 0.0104 1744 GLU 114 HB1 0.0151 -0.0134 0.0104 1745 GLU 114 HB2 0.0135 -0.0084 0.0091 1746 GLU 114 CG 0.0130 -0.0086 0.0075 1747 GLU 114 HG1 0.0120 -0.0050 0.0070 1748 GLU 114 HG2 0.0137 -0.0096 0.0089 1749 GLU 114 CD 0.0119 -0.0111 0.0031 1750 GLU 114 OE1 0.0110 -0.0110 0.0007 1751 GLU 114 OE2 0.0119 -0.0130 0.0021 1752 GLU 114 C 0.0169 -0.0090 0.0177 1753 GLU 114 O 0.0166 -0.0063 0.0186 1754 GLU 115 N 0.0265 -0.0171 0.0195 1755 GLU 115 HN 0.0274 -0.0190 0.0194 1756 GLU 115 CA 0.0266 -0.0175 0.0204 1757 GLU 115 HA 0.0259 -0.0163 0.0227 1758 GLU 115 CB 0.0281 -0.0208 0.0212 1759 GLU 115 HB1 0.0283 -0.0212 0.0215 1760 GLU 115 HB2 0.0288 -0.0221 0.0191 1761 GLU 115 CG 0.0284 -0.0219 0.0243 1762 GLU 115 HG1 0.0283 -0.0216 0.0242 1763 GLU 115 HG2 0.0278 -0.0208 0.0264 1764 GLU 115 CD 0.0299 -0.0252 0.0248 1765 GLU 115 OE1 0.0304 -0.0261 0.0247 1766 GLU 115 OE2 0.0307 -0.0269 0.0255 1767 GLU 115 C 0.0262 -0.0162 0.0181 1768 GLU 115 O 0.0262 -0.0159 0.0152 1769 ILE 116 N 0.0253 -0.0133 0.0225 1770 ILE 116 HN 0.0246 -0.0135 0.0241 1771 ILE 116 CA 0.0250 -0.0117 0.0210 1772 ILE 116 HA 0.0256 -0.0114 0.0193 1773 ILE 116 CB 0.0232 -0.0097 0.0217 1774 ILE 116 HB 0.0226 -0.0101 0.0235 1775 ILE 116 CG2 0.0227 -0.0087 0.0215 1776 ILE 116 HG21 0.0230 -0.0098 0.0223 1777 ILE 116 HG22 0.0214 -0.0073 0.0222 1778 ILE 116 HG23 0.0233 -0.0081 0.0197 1779 ILE 116 CG1 0.0229 -0.0082 0.0204 1780 ILE 116 HG11 0.0236 -0.0077 0.0186 1781 ILE 116 HG12 0.0234 -0.0089 0.0206 1782 ILE 116 CD 0.0211 -0.0062 0.0212 1783 ILE 116 HD1 0.0204 -0.0065 0.0230 1784 ILE 116 HD2 0.0210 -0.0051 0.0202 1785 ILE 116 HD3 0.0206 -0.0052 0.0210 1786 ILE 116 C 0.0257 -0.0128 0.0210 1787 ILE 116 O 0.0254 -0.0137 0.0227 1788 ILE 117 N 0.0340 -0.0051 0.0178 1789 ILE 117 HN 0.0361 -0.0016 0.0130 1790 ILE 117 CA 0.0357 -0.0088 0.0176 1791 ILE 117 HA 0.0348 -0.0145 0.0219 1792 ILE 117 CB 0.0421 -0.0114 0.0103 1793 ILE 117 HB 0.0434 -0.0059 0.0056 1794 ILE 117 CG2 0.0437 -0.0138 0.0095 1795 ILE 117 HG21 0.0484 -0.0160 0.0043 1796 ILE 117 HG22 0.0417 -0.0083 0.0092 1797 ILE 117 HG23 0.0423 -0.0189 0.0142 1798 ILE 117 CG1 0.0458 -0.0190 0.0096 1799 ILE 117 HG11 0.0433 -0.0230 0.0152 1800 ILE 117 HG12 0.0497 -0.0229 0.0064 1801 ILE 117 CD 0.0477 -0.0164 0.0056 1802 ILE 117 HD1 0.0439 -0.0128 0.0087 1803 ILE 117 HD2 0.0502 -0.0125 -0.0000 1804 ILE 117 HD3 0.0504 -0.0221 0.0050 1805 ILE 117 C 0.0320 -0.0028 0.0193 1806 ILE 117 O 0.0310 0.0048 0.0165 1807 ILE 118 N 0.0232 0.0023 0.0354 1808 ILE 118 HN 0.0165 -0.0023 0.0315 1809 ILE 118 CA 0.0102 0.0335 0.0669 1810 ILE 118 HA 0.0258 0.0127 0.0455 1811 ILE 118 CB 0.0079 0.0044 0.0387 1812 ILE 118 HB -0.0008 0.0015 0.0366 1813 ILE 118 CG2 0.0027 0.0117 0.0462 1814 ILE 118 HG21 -0.0042 0.0081 0.0433 1815 ILE 118 HG22 -0.0028 0.0172 0.0521 1816 ILE 118 HG23 0.0110 0.0152 0.0490 1817 ILE 118 CG1 0.0134 -0.0042 0.0299 1818 ILE 118 HG11 0.0057 -0.0072 0.0275 1819 ILE 118 HG12 0.0154 -0.0098 0.0242 1820 ILE 118 CD 0.0261 -0.0020 0.0310 1821 ILE 118 HD1 0.0295 -0.0085 0.0244 1822 ILE 118 HD2 0.0245 0.0033 0.0363 1823 ILE 118 HD3 0.0342 0.0009 0.0332 1824 ILE 118 C 0.0115 0.0165 0.0503 1825 ILE 118 OT1 0.0035 0.0142 0.0487 1826 ILE 118 OT2 0.0156 0.0108 0.0444