1 ASP 28 N 0.0159 -0.0025 -0.0006 2 ASP 28 CA 0.0029 -0.0096 -0.0096 3 ASP 28 C -0.0197 -0.0054 -0.0157 4 ASP 28 O -0.0274 0.0110 -0.0092 5 ASP 28 CB 0.0055 -0.0001 -0.0032 6 ASP 28 CG -0.0073 -0.0069 -0.0119 7 ASP 28 OD1 -0.0030 -0.0241 -0.0201 8 ASP 28 OD2 -0.0211 0.0050 -0.0102 9 ASP 28 H 0.0315 -0.0049 0.0038 10 ASP 28 HA 0.0079 -0.0251 -0.0166 11 ASP 28 HB2 0.0217 -0.0033 0.0011 12 ASP 28 HB3 0.0008 0.0154 0.0040 13 PRO 29 N 0.0162 0.0195 0.0103 14 PRO 29 CA 0.0045 0.0184 0.0092 15 PRO 29 C -0.0039 0.0274 0.0121 16 PRO 29 O -0.0047 0.0297 0.0129 17 PRO 29 CB 0.0003 0.0071 0.0048 18 PRO 29 CG 0.0111 0.0011 0.0032 19 PRO 29 CD 0.0195 0.0098 0.0068 20 PRO 29 HA 0.0049 0.0185 0.0093 21 PRO 29 HB2 -0.0060 0.0085 0.0050 22 PRO 29 HB3 -0.0039 0.0029 0.0030 23 PRO 29 HG2 0.0089 -0.0043 0.0010 24 PRO 29 HG3 0.0149 -0.0036 0.0016 25 PRO 29 HD2 0.0184 0.0114 0.0074 26 PRO 29 HD3 0.0284 0.0070 0.0063 27 ASN 30 N -0.0093 0.0050 0.0212 28 ASN 30 CA 0.0003 -0.0046 0.0138 29 ASN 30 C -0.0078 -0.0165 0.0069 30 ASN 30 O -0.0092 -0.0192 0.0052 31 ASN 30 CB 0.0119 -0.0001 0.0155 32 ASN 30 CG 0.0226 -0.0095 0.0081 33 ASN 30 OD1 0.0337 -0.0105 0.0062 34 ASN 30 ND2 0.0196 -0.0160 0.0042 35 ASN 30 H -0.0081 0.0093 0.0239 36 ASN 30 HA 0.0057 -0.0064 0.0120 37 ASN 30 HB2 0.0179 0.0077 0.0200 38 ASN 30 HB3 0.0058 0.0029 0.0182 39 ASN 30 HD21 0.0106 -0.0146 0.0061 40 ASN 30 HD22 0.0262 -0.0221 -0.0006 41 ALA 31 N -0.0075 -0.0489 0.0042 42 ALA 31 CA -0.0047 -0.0399 0.0040 43 ALA 31 C 0.0002 -0.0371 0.0022 44 ALA 31 O 0.0075 -0.0384 -0.0010 45 ALA 31 CB 0.0004 -0.0383 0.0020 46 ALA 31 H -0.0052 -0.0525 0.0028 47 ALA 31 HA -0.0099 -0.0360 0.0066 48 ALA 31 HB1 0.0022 -0.0315 0.0020 49 ALA 31 HB2 0.0057 -0.0422 -0.0006 50 ALA 31 HB3 -0.0031 -0.0403 0.0033 51 GLU 32 N 0.0031 0.0709 -0.0440 52 GLU 32 CA -0.0310 0.0512 -0.0221 53 GLU 32 C -0.0086 0.0445 0.0117 54 GLU 32 O -0.0295 0.0310 0.0285 55 GLU 32 CB -0.0577 0.0339 -0.0005 56 GLU 32 CG -0.0307 0.0284 0.0339 57 GLU 32 CD -0.0597 0.0106 0.0550 58 GLU 32 OE1 -0.0773 -0.0084 0.0881 59 GLU 32 OE2 -0.0660 0.0152 0.0391 60 GLU 32 H 0.0122 0.0697 -0.0339 61 GLU 32 HA -0.0524 0.0546 -0.0469 62 GLU 32 HB2 -0.0830 0.0196 0.0149 63 GLU 32 HB3 -0.0730 0.0395 -0.0258 64 GLU 32 HG2 -0.0058 0.0425 0.0188 65 GLU 32 HG3 -0.0142 0.0235 0.0587 66 PHE 33 N -0.0010 0.0099 0.0083 67 PHE 33 CA 0.0008 0.0063 0.0107 68 PHE 33 C 0.0026 0.0032 0.0117 69 PHE 33 O 0.0026 0.0037 0.0099 70 PHE 33 CB 0.0024 0.0048 0.0076 71 PHE 33 CG 0.0039 0.0043 0.0028 72 PHE 33 CD1 0.0063 0.0009 0.0019 73 PHE 33 CD2 0.0027 0.0073 -0.0008 74 PHE 33 CE1 0.0075 0.0005 -0.0025 75 PHE 33 CE2 0.0040 0.0069 -0.0052 76 PHE 33 CZ 0.0064 0.0035 -0.0060 77 PHE 33 H -0.0004 0.0101 0.0051 78 PHE 33 HA -0.0004 0.0070 0.0138 79 PHE 33 HB2 0.0039 0.0020 0.0091 80 PHE 33 HB3 0.0012 0.0069 0.0073 81 PHE 33 HD1 0.0072 -0.0014 0.0046 82 PHE 33 HD2 0.0009 0.0100 -0.0002 83 PHE 33 HE1 0.0094 -0.0021 -0.0031 84 PHE 33 HE2 0.0031 0.0093 -0.0079 85 PHE 33 HZ 0.0074 0.0032 -0.0094 86 ASP 34 N 0.0017 0.0068 -0.0041 87 ASP 34 CA 0.0011 0.0047 -0.0028 88 ASP 34 C 0.0038 0.0017 -0.0052 89 ASP 34 O 0.0053 -0.0005 -0.0063 90 ASP 34 CB -0.0013 0.0023 0.0006 91 ASP 34 CG -0.0022 0.0004 0.0021 92 ASP 34 OD1 -0.0006 -0.0027 0.0012 93 ASP 34 OD2 -0.0044 0.0022 0.0043 94 ASP 34 H 0.0018 0.0052 -0.0038 95 ASP 34 HA 0.0005 0.0070 -0.0028 96 ASP 34 HB2 -0.0031 0.0043 0.0021 97 ASP 34 HB3 -0.0005 -0.0003 0.0004 98 PRO 35 N 0.0053 -0.0045 0.0026 99 PRO 35 CA 0.0056 -0.0058 0.0014 100 PRO 35 C 0.0019 -0.0090 0.0005 101 PRO 35 O 0.0018 -0.0102 -0.0005 102 PRO 35 CB 0.0056 -0.0025 0.0040 103 PRO 35 CG 0.0027 -0.0007 0.0067 104 PRO 35 CD 0.0034 -0.0013 0.0059 105 PRO 35 HA 0.0085 -0.0065 -0.0005 106 PRO 35 HB2 0.0044 -0.0033 0.0039 107 PRO 35 HB3 0.0087 -0.0008 0.0040 108 PRO 35 HG2 -0.0005 -0.0019 0.0072 109 PRO 35 HG3 0.0035 0.0021 0.0086 110 PRO 35 HD2 0.0005 -0.0019 0.0067 111 PRO 35 HD3 0.0056 0.0010 0.0068 112 ASP 36 N 0.0016 -0.0228 0.0163 113 ASP 36 CA -0.0060 -0.0098 0.0061 114 ASP 36 C -0.0042 -0.0155 -0.0017 115 ASP 36 O -0.0091 -0.0057 -0.0035 116 ASP 36 CB -0.0102 -0.0048 -0.0091 117 ASP 36 CG -0.0179 0.0081 -0.0206 118 ASP 36 OD1 -0.0241 0.0225 -0.0144 119 ASP 36 OD2 -0.0179 0.0041 -0.0365 120 ASP 36 H 0.0053 -0.0322 0.0097 121 ASP 36 HA -0.0099 0.0007 0.0153 122 ASP 36 HB2 -0.0117 -0.0001 -0.0029 123 ASP 36 HB3 -0.0061 -0.0156 -0.0176 124 LEU 37 N 0.0013 -0.0103 -0.0107 125 LEU 37 CA 0.0015 -0.0135 -0.0116 126 LEU 37 C 0.0075 -0.0132 -0.0204 127 LEU 37 O 0.0112 -0.0059 -0.0244 128 LEU 37 CB -0.0018 -0.0075 -0.0056 129 LEU 37 CG -0.0084 -0.0096 0.0036 130 LEU 37 CD1 -0.0106 -0.0203 0.0048 131 LEU 37 CD2 -0.0106 -0.0066 0.0076 132 LEU 37 H 0.0014 -0.0033 -0.0095 133 LEU 37 HA -0.0006 -0.0210 -0.0100 134 LEU 37 HB2 -0.0004 0.0001 -0.0061 135 LEU 37 HB3 -0.0005 -0.0088 -0.0078 136 LEU 37 HG -0.0099 -0.0053 0.0068 137 LEU 37 HD11 -0.0152 -0.0215 0.0113 138 LEU 37 HD12 -0.0091 -0.0250 0.0016 139 LEU 37 HD13 -0.0092 -0.0221 0.0024 140 LEU 37 HD21 -0.0152 -0.0082 0.0139 141 LEU 37 HD22 -0.0093 0.0012 0.0071 142 LEU 37 HD23 -0.0090 -0.0107 0.0044 143 PRO 38 N 0.0118 -0.0022 -0.0177 144 PRO 38 CA 0.0162 -0.0038 -0.0200 145 PRO 38 C 0.0121 0.0001 -0.0197 146 PRO 38 O 0.0062 -0.0000 -0.0151 147 PRO 38 CB 0.0182 -0.0118 -0.0157 148 PRO 38 CG 0.0173 -0.0145 -0.0130 149 PRO 38 CD 0.0113 -0.0087 -0.0127 150 PRO 38 HA 0.0207 -0.0024 -0.0244 151 PRO 38 HB2 0.0149 -0.0129 -0.0124 152 PRO 38 HB3 0.0236 -0.0141 -0.0182 153 PRO 38 HG2 0.0160 -0.0193 -0.0086 154 PRO 38 HG3 0.0219 -0.0156 -0.0158 155 PRO 38 HD2 0.0064 -0.0092 -0.0086 156 PRO 38 HD3 0.0120 -0.0087 -0.0132 157 GLY 39 N 0.0156 -0.0120 -0.0138 158 GLY 39 CA 0.0084 -0.0088 -0.0135 159 GLY 39 C 0.0042 -0.0068 -0.0169 160 GLY 39 O -0.0019 -0.0042 -0.0151 161 GLY 39 H 0.0186 -0.0132 -0.0177 162 GLY 39 HA2 0.0074 -0.0083 -0.0165 163 GLY 39 HA3 0.0068 -0.0083 -0.0077 164 GLY 40 N 0.0063 -0.0021 -0.0077 165 GLY 40 CA 0.0035 0.0016 -0.0078 166 GLY 40 C -0.0007 0.0008 -0.0057 167 GLY 40 O -0.0034 0.0036 -0.0055 168 GLY 40 H 0.0080 -0.0031 -0.0080 169 GLY 40 HA2 0.0042 0.0031 -0.0087 170 GLY 40 HA3 0.0039 0.0035 -0.0087 171 GLY 41 N 0.0017 0.0021 -0.0103 172 GLY 41 CA 0.0005 0.0017 -0.0101 173 GLY 41 C -0.0001 0.0012 -0.0099 174 GLY 41 O -0.0013 0.0009 -0.0097 175 GLY 41 H 0.0025 0.0017 -0.0101 176 GLY 41 HA2 0.0006 0.0009 -0.0098 177 GLY 41 HA3 -0.0001 0.0023 -0.0104 178 LEU 42 N -0.0095 0.0006 -0.0108 179 LEU 42 CA -0.0123 -0.0194 -0.0087 180 LEU 42 C -0.0143 -0.0155 -0.0017 181 LEU 42 O -0.0158 -0.0304 -0.0018 182 LEU 42 CB -0.0191 -0.0330 0.0072 183 LEU 42 CG -0.0182 -0.0389 0.0027 184 LEU 42 CD1 -0.0255 -0.0520 0.0200 185 LEU 42 CD2 -0.0124 -0.0514 -0.0180 186 LEU 42 H -0.0132 0.0066 0.0017 187 LEU 42 HA -0.0083 -0.0285 -0.0233 188 LEU 42 HB2 -0.0232 -0.0240 0.0219 189 LEU 42 HB3 -0.0211 -0.0477 0.0086 190 LEU 42 HG -0.0164 -0.0240 0.0019 191 LEU 42 HD11 -0.0247 -0.0562 0.0165 192 LEU 42 HD12 -0.0275 -0.0667 0.0217 193 LEU 42 HD13 -0.0294 -0.0424 0.0344 194 LEU 42 HD21 -0.0140 -0.0661 -0.0177 195 LEU 42 HD22 -0.0120 -0.0556 -0.0206 196 LEU 42 HD23 -0.0072 -0.0413 -0.0303 197 HIS 43 N 0.0020 -0.0057 -0.0083 198 HIS 43 CA 0.0007 -0.0009 -0.0060 199 HIS 43 C 0.0051 0.0020 -0.0050 200 HIS 43 O 0.0063 0.0024 -0.0049 201 HIS 43 CB -0.0037 0.0002 -0.0051 202 HIS 43 CG -0.0083 -0.0029 -0.0061 203 HIS 43 ND1 -0.0119 -0.0021 -0.0055 204 HIS 43 CD2 -0.0100 -0.0067 -0.0077 205 HIS 43 CE1 -0.0155 -0.0052 -0.0066 206 HIS 43 NE2 -0.0144 -0.0081 -0.0080 207 HIS 43 H 0.0035 -0.0068 -0.0089 208 HIS 43 HA -0.0002 -0.0001 -0.0055 209 HIS 43 HB2 -0.0026 0.0000 -0.0053 210 HIS 43 HB3 -0.0048 0.0036 -0.0034 211 HIS 43 HD1 -0.0117 0.0003 -0.0043 212 HIS 43 HD2 -0.0081 -0.0083 -0.0086 213 HIS 43 HE1 -0.0188 -0.0053 -0.0064 214 HIS 43 HE2 -0.0162 -0.0110 -0.0092 215 ARG 44 N 0.0031 0.0030 -0.0065 216 ARG 44 CA 0.0022 0.0010 -0.0048 217 ARG 44 C 0.0031 0.0030 -0.0062 218 ARG 44 O 0.0049 0.0065 -0.0069 219 ARG 44 CB 0.0028 0.0011 -0.0000 220 ARG 44 CG 0.0025 0.0001 0.0022 221 ARG 44 CD 0.0034 0.0007 0.0069 222 ARG 44 NE 0.0034 0.0000 0.0094 223 ARG 44 CZ 0.0038 -0.0001 0.0136 224 ARG 44 NH1 0.0044 0.0005 0.0159 225 ARG 44 NH2 0.0037 -0.0008 0.0156 226 ARG 44 H 0.0046 0.0057 -0.0060 227 ARG 44 HA 0.0005 -0.0019 -0.0057 228 ARG 44 HB2 0.0044 0.0038 0.0008 229 ARG 44 HB3 0.0018 -0.0010 0.0011 230 ARG 44 HG2 0.0009 -0.0028 0.0017 231 ARG 44 HG3 0.0034 0.0020 0.0009 232 ARG 44 HD2 0.0050 0.0035 0.0074 233 ARG 44 HD3 0.0025 -0.0013 0.0082 234 ARG 44 HE 0.0030 -0.0003 0.0077 235 ARG 44 HH11 0.0045 0.0010 0.0146 236 ARG 44 HH12 0.0048 0.0004 0.0191 237 ARG 44 HH21 0.0033 -0.0012 0.0141 238 ARG 44 HH22 0.0041 -0.0009 0.0188 239 CYS 45 N 0.0020 -0.0034 -0.0065 240 CYS 45 CA 0.0008 -0.0069 -0.0080 241 CYS 45 C -0.0031 -0.0061 -0.0090 242 CYS 45 O -0.0050 -0.0047 -0.0092 243 CYS 45 CB 0.0015 -0.0093 -0.0084 244 CYS 45 SG -0.0006 -0.0135 -0.0104 245 CYS 45 H 0.0017 -0.0020 -0.0061 246 CYS 45 HA 0.0020 -0.0081 -0.0079 247 CYS 45 HB2 0.0043 -0.0100 -0.0077 248 CYS 45 HB3 0.0008 -0.0078 -0.0082 249 LEU 46 N 0.0016 -0.0223 -0.0171 250 LEU 46 CA -0.0120 -0.0197 -0.0132 251 LEU 46 C -0.0250 -0.0299 -0.0205 252 LEU 46 O -0.0392 -0.0278 -0.0169 253 LEU 46 CB -0.0065 -0.0170 -0.0116 254 LEU 46 CG 0.0057 -0.0063 -0.0038 255 LEU 46 CD1 0.0113 -0.0051 -0.0035 256 LEU 46 CD2 -0.0008 0.0055 0.0070 257 LEU 46 H 0.0117 -0.0236 -0.0194 258 LEU 46 HA -0.0167 -0.0116 -0.0058 259 LEU 46 HB2 -0.0016 -0.0250 -0.0190 260 LEU 46 HB3 -0.0167 -0.0152 -0.0088 261 LEU 46 HG 0.0156 -0.0081 -0.0066 262 LEU 46 HD11 0.0169 -0.0131 -0.0111 263 LEU 46 HD12 0.0196 0.0028 0.0023 264 LEU 46 HD13 0.0011 -0.0041 -0.0014 265 LEU 46 HD21 -0.0036 0.0048 0.0068 266 LEU 46 HD22 -0.0114 0.0070 0.0096 267 LEU 46 HD23 0.0080 0.0129 0.0123 268 ALA 47 N -0.0139 -0.0097 0.0137 269 ALA 47 CA -0.0175 -0.0174 0.0140 270 ALA 47 C -0.0202 -0.0253 0.0127 271 ALA 47 O -0.0243 -0.0320 0.0146 272 ALA 47 CB -0.0144 -0.0185 0.0079 273 ALA 47 H -0.0100 -0.0065 0.0094 274 ALA 47 HA -0.0206 -0.0165 0.0200 275 ALA 47 HB1 -0.0172 -0.0240 0.0084 276 ALA 47 HB2 -0.0113 -0.0195 0.0018 277 ALA 47 HB3 -0.0125 -0.0129 0.0089 278 CYS 48 N -0.0243 -0.0262 -0.0089 279 CYS 48 CA -0.0233 -0.0214 -0.0079 280 CYS 48 C -0.0255 -0.0113 -0.0076 281 CYS 48 O -0.0263 -0.0068 -0.0074 282 CYS 48 CB -0.0146 -0.0234 -0.0044 283 CYS 48 SG -0.0130 -0.0347 -0.0051 284 CYS 48 H -0.0208 -0.0250 -0.0072 285 CYS 48 HA -0.0279 -0.0241 -0.0102 286 CYS 48 HB2 -0.0090 -0.0225 -0.0019 287 CYS 48 HB3 -0.0142 -0.0198 -0.0038 288 ALA 49 N -0.0276 -0.0167 -0.0202 289 ALA 49 CA -0.0314 0.0007 -0.0183 290 ALA 49 C -0.0199 0.0107 -0.0123 291 ALA 49 O -0.0232 0.0248 -0.0108 292 ALA 49 CB -0.0481 0.0051 -0.0234 293 ALA 49 H -0.0256 -0.0232 -0.0207 294 ALA 49 HA -0.0304 0.0030 -0.0175 295 ALA 49 HB1 -0.0492 0.0028 -0.0242 296 ALA 49 HB2 -0.0558 -0.0020 -0.0275 297 ALA 49 HB3 -0.0508 0.0177 -0.0220 298 ARG 50 N -0.0110 0.0000 -0.0121 299 ARG 50 CA -0.0047 0.0070 -0.0040 300 ARG 50 C -0.0005 0.0045 0.0021 301 ARG 50 O -0.0004 -0.0054 0.0030 302 ARG 50 CB -0.0008 0.0053 0.0016 303 ARG 50 CG -0.0044 0.0086 -0.0037 304 ARG 50 CD -0.0002 0.0067 0.0024 305 ARG 50 NE -0.0036 0.0096 -0.0027 306 ARG 50 CZ -0.0012 0.0078 0.0008 307 ARG 50 NH1 0.0048 0.0036 0.0094 308 ARG 50 NH2 -0.0048 0.0104 -0.0044 309 ARG 50 H -0.0110 -0.0082 -0.0115 310 ARG 50 HA -0.0059 0.0159 -0.0064 311 ARG 50 HB2 0.0003 -0.0036 0.0039 312 ARG 50 HB3 0.0040 0.0105 0.0078 313 ARG 50 HG2 -0.0054 0.0176 -0.0058 314 ARG 50 HG3 -0.0091 0.0035 -0.0098 315 ARG 50 HD2 0.0010 -0.0023 0.0046 316 ARG 50 HD3 0.0045 0.0120 0.0084 317 ARG 50 HE -0.0080 0.0130 -0.0090 318 ARG 50 HH11 0.0077 0.0016 0.0136 319 ARG 50 HH12 0.0068 0.0023 0.0123 320 ARG 50 HH21 -0.0093 0.0138 -0.0109 321 ARG 50 HH22 -0.0031 0.0090 -0.0020 322 TYR 51 N -0.0044 -0.0094 -0.0016 323 TYR 51 CA -0.0008 -0.0052 -0.0022 324 TYR 51 C 0.0030 -0.0070 -0.0060 325 TYR 51 O 0.0022 -0.0101 -0.0070 326 TYR 51 CB -0.0025 -0.0020 0.0007 327 TYR 51 CG -0.0066 -0.0003 0.0046 328 TYR 51 CD1 -0.0110 -0.0033 0.0064 329 TYR 51 CD2 -0.0061 0.0042 0.0065 330 TYR 51 CE1 -0.0147 -0.0019 0.0100 331 TYR 51 CE2 -0.0099 0.0057 0.0101 332 TYR 51 CZ -0.0142 0.0026 0.0118 333 TYR 51 OH -0.0179 0.0041 0.0154 334 TYR 51 H -0.0061 -0.0110 -0.0012 335 TYR 51 HA 0.0003 -0.0029 -0.0019 336 TYR 51 HB2 -0.0035 -0.0042 0.0002 337 TYR 51 HB3 0.0002 0.0013 0.0003 338 TYR 51 HD1 -0.0115 -0.0069 0.0050 339 TYR 51 HD2 -0.0028 0.0066 0.0052 340 TYR 51 HE1 -0.0181 -0.0042 0.0113 341 TYR 51 HE2 -0.0094 0.0092 0.0115 342 TYR 51 HH -0.0201 0.0033 0.0166 343 PHE 52 N 0.0082 0.0072 -0.0060 344 PHE 52 CA 0.0098 0.0072 -0.0027 345 PHE 52 C 0.0099 0.0075 -0.0030 346 PHE 52 O 0.0080 0.0063 -0.0048 347 PHE 52 CB 0.0087 0.0045 0.0001 348 PHE 52 CG 0.0085 0.0042 0.0005 349 PHE 52 CD1 0.0065 0.0030 -0.0016 350 PHE 52 CD2 0.0105 0.0049 0.0031 351 PHE 52 CE1 0.0064 0.0026 -0.0012 352 PHE 52 CE2 0.0103 0.0046 0.0035 353 PHE 52 CZ 0.0083 0.0034 0.0013 354 PHE 52 H 0.0063 0.0056 -0.0069 355 PHE 52 HA 0.0117 0.0091 -0.0021 356 PHE 52 HB2 0.0068 0.0027 -0.0006 357 PHE 52 HB3 0.0099 0.0046 0.0025 358 PHE 52 HD1 0.0050 0.0023 -0.0036 359 PHE 52 HD2 0.0121 0.0059 0.0048 360 PHE 52 HE1 0.0047 0.0017 -0.0029 361 PHE 52 HE2 0.0118 0.0052 0.0055 362 PHE 52 HZ 0.0082 0.0031 0.0016 363 ILE 53 N 0.0390 0.0106 -0.0102 364 ILE 53 CA 0.0246 -0.0059 -0.0115 365 ILE 53 C 0.0016 -0.0216 -0.0046 366 ILE 53 O -0.0085 -0.0414 -0.0125 367 ILE 53 CB 0.0214 0.0060 0.0014 368 ILE 53 CG1 0.0116 0.0231 0.0246 369 ILE 53 CG2 0.0434 0.0175 -0.0082 370 ILE 53 CD1 0.0071 0.0350 0.0386 371 ILE 53 H 0.0439 0.0268 -0.0007 372 ILE 53 HA 0.0330 -0.0163 -0.0277 373 ILE 53 HB 0.0095 -0.0072 0.0007 374 ILE 53 HG12 0.0231 0.0361 0.0255 375 ILE 53 HG13 -0.0041 0.0140 0.0307 376 ILE 53 HG21 0.0560 0.0300 -0.0087 377 ILE 53 HG22 0.0491 0.0048 -0.0239 378 ILE 53 HG23 0.0408 0.0259 0.0012 379 ILE 53 HD11 -0.0051 0.0225 0.0387 380 ILE 53 HD12 0.0007 0.0469 0.0544 381 ILE 53 HD13 0.0226 0.0441 0.0327 382 ASP 54 N 0.0035 0.0047 0.0064 383 ASP 54 CA -0.0006 -0.0034 0.0107 384 ASP 54 C 0.0022 -0.0023 0.0073 385 ASP 54 O 0.0055 0.0069 0.0041 386 ASP 54 CB -0.0086 -0.0009 0.0211 387 ASP 54 CG -0.0134 -0.0094 0.0263 388 ASP 54 OD1 -0.0155 -0.0188 0.0280 389 ASP 54 OD2 -0.0151 -0.0067 0.0287 390 ASP 54 H 0.0056 0.0120 0.0044 391 ASP 54 HA -0.0000 -0.0120 0.0092 392 ASP 54 HB2 -0.0104 -0.0013 0.0233 393 ASP 54 HB3 -0.0092 0.0076 0.0226 394 SER 55 N -0.0017 0.0041 -0.0090 395 SER 55 CA -0.0020 0.0110 -0.0045 396 SER 55 C -0.0032 0.0128 -0.0055 397 SER 55 O -0.0018 0.0158 -0.0004 398 SER 55 CB -0.0051 0.0174 -0.0061 399 SER 55 OG -0.0057 0.0244 -0.0021 400 SER 55 H -0.0036 0.0044 -0.0127 401 SER 55 HA 0.0009 0.0102 0.0011 402 SER 55 HB2 -0.0040 0.0161 -0.0047 403 SER 55 HB3 -0.0080 0.0179 -0.0118 404 SER 55 HG -0.0078 0.0269 -0.0047 405 THR 56 N 0.0056 0.0345 -0.0027 406 THR 56 CA 0.0086 0.0272 -0.0084 407 THR 56 C 0.0102 0.0103 0.0012 408 THR 56 O 0.0099 0.0065 0.0064 409 THR 56 CB 0.0136 0.0248 -0.0272 410 THR 56 OG1 0.0120 0.0404 -0.0358 411 THR 56 CG2 0.0163 0.0195 -0.0339 412 THR 56 H 0.0072 0.0359 -0.0110 413 THR 56 HA 0.0060 0.0357 -0.0058 414 THR 56 HB 0.0162 0.0151 -0.0290 415 THR 56 HG1 0.0117 0.0406 -0.0349 416 THR 56 HG21 0.0199 0.0178 -0.0471 417 THR 56 HG22 0.0136 0.0291 -0.0316 418 THR 56 HG23 0.0175 0.0079 -0.0274 419 ASN 57 N 0.0075 0.0058 0.0117 420 ASN 57 CA 0.0102 0.0129 0.0092 421 ASN 57 C 0.0095 0.0111 0.0024 422 ASN 57 O 0.0108 0.0144 0.0022 423 ASN 57 CB 0.0126 0.0192 0.0063 424 ASN 57 CG 0.0144 0.0240 0.0134 425 ASN 57 OD1 0.0167 0.0301 0.0159 426 ASN 57 ND2 0.0134 0.0214 0.0168 427 ASN 57 H 0.0074 0.0056 0.0102 428 ASN 57 HA 0.0110 0.0151 0.0146 429 ASN 57 HB2 0.0115 0.0162 0.0031 430 ASN 57 HB3 0.0141 0.0230 0.0018 431 ASN 57 HD21 0.0116 0.0166 0.0148 432 ASN 57 HD22 0.0146 0.0245 0.0214 433 LEU 58 N 0.0062 0.0082 0.0014 434 LEU 58 CA 0.0053 0.0075 0.0002 435 LEU 58 C 0.0046 0.0060 0.0015 436 LEU 58 O 0.0045 0.0060 0.0014 437 LEU 58 CB 0.0043 0.0070 -0.0018 438 LEU 58 CG 0.0031 0.0060 -0.0032 439 LEU 58 CD1 0.0019 0.0040 -0.0023 440 LEU 58 CD2 0.0035 0.0067 -0.0037 441 LEU 58 H 0.0060 0.0081 0.0012 442 LEU 58 HA 0.0059 0.0086 -0.0004 443 LEU 58 HB2 0.0049 0.0082 -0.0027 444 LEU 58 HB3 0.0039 0.0062 -0.0012 445 LEU 58 HG 0.0026 0.0060 -0.0047 446 LEU 58 HD11 0.0011 0.0033 -0.0034 447 LEU 58 HD12 0.0023 0.0038 -0.0008 448 LEU 58 HD13 0.0016 0.0035 -0.0021 449 LEU 58 HD21 0.0039 0.0066 -0.0022 450 LEU 58 HD22 0.0026 0.0060 -0.0047 451 LEU 58 HD23 0.0043 0.0081 -0.0044 452 LYS 59 N 0.0050 0.0118 -0.0031 453 LYS 59 CA 0.0009 0.0115 0.0032 454 LYS 59 C 0.0049 0.0127 0.0097 455 LYS 59 O 0.0039 0.0129 0.0151 456 LYS 59 CB -0.0058 0.0101 0.0029 457 LYS 59 CG -0.0049 0.0102 0.0023 458 LYS 59 CD -0.0117 0.0089 0.0014 459 LYS 59 CE -0.0164 0.0084 0.0077 460 LYS 59 NZ -0.0136 0.0094 0.0138 461 LYS 59 H 0.0039 0.0113 -0.0069 462 LYS 59 HA -0.0004 0.0112 0.0036 463 LYS 59 HB2 -0.0088 0.0099 0.0074 464 LYS 59 HB3 -0.0085 0.0093 -0.0016 465 LYS 59 HG2 -0.0017 0.0105 -0.0021 466 LYS 59 HG3 -0.0025 0.0111 0.0068 467 LYS 59 HD2 -0.0142 0.0080 -0.0029 468 LYS 59 HD3 -0.0108 0.0089 0.0003 469 LYS 59 HE2 -0.0171 0.0084 0.0089 470 LYS 59 HE3 -0.0212 0.0074 0.0065 471 LYS 59 HZ1 -0.0132 0.0094 0.0130 472 LYS 59 HZ2 -0.0169 0.0091 0.0180 473 LYS 59 HZ3 -0.0089 0.0105 0.0153 474 THR 60 N 0.0072 0.0060 0.0094 475 THR 60 CA 0.0089 0.0055 0.0111 476 THR 60 C 0.0100 0.0051 0.0124 477 THR 60 O 0.0106 0.0047 0.0144 478 THR 60 CB 0.0109 0.0054 0.0099 479 THR 60 OG1 0.0098 0.0058 0.0087 480 THR 60 CG2 0.0127 0.0049 0.0115 481 THR 60 H 0.0075 0.0063 0.0078 482 THR 60 HA 0.0080 0.0054 0.0123 483 THR 60 HB 0.0117 0.0055 0.0086 484 THR 60 HG1 0.0090 0.0061 0.0074 485 THR 60 HG21 0.0140 0.0048 0.0106 486 THR 60 HG22 0.0118 0.0048 0.0128 487 THR 60 HG23 0.0135 0.0046 0.0124 488 HIS 61 N 0.0110 -0.0011 0.0020 489 HIS 61 CA 0.0086 -0.0015 0.0014 490 HIS 61 C 0.0076 -0.0036 0.0006 491 HIS 61 O 0.0061 -0.0047 -0.0000 492 HIS 61 CB 0.0070 0.0007 0.0017 493 HIS 61 CG 0.0044 0.0004 0.0011 494 HIS 61 ND1 0.0030 -0.0003 0.0006 495 HIS 61 CD2 0.0029 0.0004 0.0008 496 HIS 61 CE1 0.0009 -0.0006 0.0001 497 HIS 61 NE2 0.0008 -0.0002 0.0002 498 HIS 61 H 0.0113 0.0003 0.0024 499 HIS 61 HA 0.0087 -0.0020 0.0013 500 HIS 61 HB2 0.0073 0.0019 0.0021 501 HIS 61 HB3 0.0075 0.0016 0.0020 502 HIS 61 HD1 0.0036 -0.0005 0.0007 503 HIS 61 HD2 0.0034 0.0009 0.0010 504 HIS 61 HE1 -0.0007 -0.0012 -0.0004 505 PHE 62 N 0.0049 0.0000 -0.0120 506 PHE 62 CA 0.0049 -0.0001 -0.0121 507 PHE 62 C 0.0048 0.0001 -0.0115 508 PHE 62 O 0.0047 0.0000 -0.0115 509 PHE 62 CB 0.0047 -0.0007 -0.0123 510 PHE 62 CG 0.0048 -0.0010 -0.0128 511 PHE 62 CD1 0.0052 -0.0008 -0.0133 512 PHE 62 CD2 0.0045 -0.0015 -0.0128 513 PHE 62 CE1 0.0052 -0.0011 -0.0138 514 PHE 62 CE2 0.0046 -0.0018 -0.0132 515 PHE 62 CZ 0.0050 -0.0016 -0.0137 516 PHE 62 H 0.0047 -0.0003 -0.0118 517 PHE 62 HA 0.0052 0.0002 -0.0124 518 PHE 62 HB2 0.0044 -0.0010 -0.0120 519 PHE 62 HB3 0.0048 -0.0007 -0.0125 520 PHE 62 HD1 0.0054 -0.0004 -0.0134 521 PHE 62 HD2 0.0043 -0.0017 -0.0124 522 PHE 62 HE1 0.0055 -0.0009 -0.0142 523 PHE 62 HE2 0.0044 -0.0022 -0.0132 524 PHE 62 HZ 0.0050 -0.0018 -0.0141 525 ARG 63 N 0.0240 0.0124 0.0186 526 ARG 63 CA 0.0191 0.0206 0.0066 527 ARG 63 C 0.0168 0.0247 0.0006 528 ARG 63 O 0.0120 0.0313 -0.0095 529 ARG 63 CB 0.0067 0.0181 0.0038 530 ARG 63 CG 0.0096 0.0160 0.0077 531 ARG 63 CD -0.0030 0.0135 0.0049 532 ARG 63 NE -0.0092 0.0211 -0.0071 533 ARG 63 CZ -0.0191 0.0215 -0.0121 534 ARG 63 NH1 -0.0235 0.0149 -0.0063 535 ARG 63 NH2 -0.0242 0.0285 -0.0228 536 ARG 63 H 0.0179 0.0059 0.0236 537 ARG 63 HA 0.0272 0.0261 0.0039 538 ARG 63 HB2 -0.0009 0.0119 0.0077 539 ARG 63 HB3 0.0029 0.0241 -0.0051 540 ARG 63 HG2 0.0170 0.0223 0.0036 541 ARG 63 HG3 0.0136 0.0101 0.0166 542 ARG 63 HD2 -0.0004 0.0123 0.0075 543 ARG 63 HD3 -0.0102 0.0070 0.0092 544 ARG 63 HE -0.0058 0.0261 -0.0115 545 ARG 63 HH11 -0.0197 0.0096 0.0018 546 ARG 63 HH12 -0.0310 0.0150 -0.0099 547 ARG 63 HH21 -0.0209 0.0336 -0.0274 548 ARG 63 HH22 -0.0317 0.0291 -0.0270 549 SER 64 N 0.0077 -0.0006 -0.0096 550 SER 64 CA 0.0058 0.0008 -0.0137 551 SER 64 C 0.0045 -0.0052 -0.0178 552 SER 64 O 0.0029 -0.0066 -0.0218 553 SER 64 CB 0.0037 0.0066 -0.0175 554 SER 64 OG 0.0049 0.0119 -0.0138 555 SER 64 H 0.0072 0.0007 -0.0106 556 SER 64 HA 0.0068 0.0020 -0.0112 557 SER 64 HB2 0.0025 0.0050 -0.0206 558 SER 64 HB3 0.0025 0.0082 -0.0199 559 SER 64 HG 0.0056 0.0140 -0.0117 560 LYS 65 N 0.0043 0.0143 -0.0058 561 LYS 65 CA -0.0054 -0.0150 -0.0190 562 LYS 65 C -0.0121 -0.0092 -0.0547 563 LYS 65 O -0.0217 -0.0320 -0.0742 564 LYS 65 CB -0.0035 -0.0310 0.0058 565 LYS 65 CG 0.0050 -0.0075 0.0197 566 LYS 65 CD 0.0025 0.0077 -0.0071 567 LYS 65 CE 0.0112 0.0306 0.0081 568 LYS 65 NZ 0.0092 0.0471 -0.0176 569 LYS 65 H 0.0111 0.0241 0.0146 570 LYS 65 HA -0.0100 -0.0330 -0.0212 571 LYS 65 HB2 -0.0108 -0.0502 -0.0070 572 LYS 65 HB3 -0.0016 -0.0430 0.0268 573 LYS 65 HG2 0.0059 -0.0215 0.0379 574 LYS 65 HG3 0.0123 0.0124 0.0319 575 LYS 65 HD2 0.0016 0.0218 -0.0256 576 LYS 65 HD3 -0.0047 -0.0125 -0.0186 577 LYS 65 HE2 0.0116 0.0157 0.0253 578 LYS 65 HE3 0.0185 0.0493 0.0215 579 LYS 65 HZ1 0.0022 0.0299 -0.0313 580 LYS 65 HZ2 0.0090 0.0624 -0.0343 581 LYS 65 HZ3 0.0151 0.0621 -0.0064 582 ASP 66 N -0.0129 0.0017 -0.0419 583 ASP 66 CA 0.0040 0.0006 -0.0291 584 ASP 66 C 0.0095 -0.0089 -0.0332 585 ASP 66 O 0.0187 -0.0059 -0.0231 586 ASP 66 CB 0.0175 -0.0076 -0.0256 587 ASP 66 CG 0.0345 -0.0064 -0.0107 588 ASP 66 OD1 0.0365 0.0059 0.0020 589 ASP 66 OD2 0.0462 -0.0176 -0.0113 590 ASP 66 H -0.0135 -0.0048 -0.0482 591 ASP 66 HA 0.0026 0.0131 -0.0190 592 ASP 66 HB2 0.0123 -0.0020 -0.0248 593 ASP 66 HB3 0.0200 -0.0206 -0.0352 594 HIS 67 N -0.0031 -0.0123 -0.0243 595 HIS 67 CA -0.0019 -0.0112 -0.0158 596 HIS 67 C 0.0036 -0.0034 -0.0129 597 HIS 67 O 0.0049 -0.0020 -0.0054 598 HIS 67 CB -0.0031 -0.0128 -0.0169 599 HIS 67 CG -0.0025 -0.0125 -0.0088 600 HIS 67 ND1 -0.0036 -0.0145 -0.0004 601 HIS 67 CD2 -0.0026 -0.0126 -0.0083 602 HIS 67 CE1 -0.0045 -0.0161 0.0048 603 HIS 67 NE2 -0.0040 -0.0151 0.0004 604 HIS 67 H -0.0043 -0.0137 -0.0298 605 HIS 67 HA -0.0041 -0.0147 -0.0105 606 HIS 67 HB2 -0.0072 -0.0185 -0.0186 607 HIS 67 HB3 -0.0008 -0.0091 -0.0217 608 HIS 67 HD1 -0.0037 -0.0149 0.0015 609 HIS 67 HD2 -0.0010 -0.0100 -0.0137 610 HIS 67 HE1 -0.0054 -0.0179 0.0118 611 LYS 68 N 0.0033 -0.0077 -0.0134 612 LYS 68 CA 0.0015 -0.0071 -0.0135 613 LYS 68 C 0.0016 -0.0060 -0.0114 614 LYS 68 O 0.0008 -0.0057 -0.0113 615 LYS 68 CB -0.0005 -0.0067 -0.0141 616 LYS 68 CG -0.0005 -0.0077 -0.0161 617 LYS 68 CD -0.0026 -0.0072 -0.0166 618 LYS 68 CE -0.0027 -0.0063 -0.0149 619 LYS 68 NZ -0.0046 -0.0059 -0.0154 620 LYS 68 H 0.0031 -0.0076 -0.0134 621 LYS 68 HA 0.0016 -0.0077 -0.0146 622 LYS 68 HB2 -0.0007 -0.0060 -0.0128 623 LYS 68 HB3 -0.0019 -0.0063 -0.0143 624 LYS 68 HG2 -0.0002 -0.0085 -0.0173 625 LYS 68 HG3 0.0009 -0.0081 -0.0159 626 LYS 68 HD2 -0.0040 -0.0068 -0.0167 627 LYS 68 HD3 -0.0026 -0.0080 -0.0180 628 LYS 68 HE2 -0.0013 -0.0068 -0.0147 629 LYS 68 HE3 -0.0028 -0.0056 -0.0135 630 LYS 68 HZ1 -0.0060 -0.0055 -0.0156 631 LYS 68 HZ2 -0.0046 -0.0054 -0.0143 632 LYS 68 HZ3 -0.0045 -0.0067 -0.0168 633 LYS 69 N 0.0094 -0.0066 -0.0106 634 LYS 69 CA 0.0128 -0.0025 -0.0081 635 LYS 69 C 0.0173 -0.0056 -0.0022 636 LYS 69 O 0.0214 -0.0018 0.0012 637 LYS 69 CB 0.0103 -0.0029 -0.0108 638 LYS 69 CG 0.0133 -0.0009 -0.0080 639 LYS 69 CD 0.0100 -0.0026 -0.0112 640 LYS 69 CE 0.0125 -0.0013 -0.0088 641 LYS 69 NZ 0.0089 -0.0035 -0.0122 642 LYS 69 H 0.0062 -0.0086 -0.0136 643 LYS 69 HA 0.0137 0.0027 -0.0086 644 LYS 69 HB2 0.0077 0.0003 -0.0146 645 LYS 69 HB3 0.0083 -0.0082 -0.0114 646 LYS 69 HG2 0.0160 -0.0040 -0.0041 647 LYS 69 HG3 0.0150 0.0045 -0.0078 648 LYS 69 HD2 0.0074 0.0006 -0.0150 649 LYS 69 HD3 0.0082 -0.0079 -0.0116 650 LYS 69 HE2 0.0153 -0.0042 -0.0049 651 LYS 69 HE3 0.0140 0.0041 -0.0088 652 LYS 69 HZ1 0.0104 -0.0029 -0.0107 653 LYS 69 HZ2 0.0073 -0.0087 -0.0124 654 LYS 69 HZ3 0.0061 -0.0008 -0.0160 655 ARG 70 N 0.0207 -0.0017 0.0326 656 ARG 70 CA 0.0141 0.0047 0.0205 657 ARG 70 C 0.0145 -0.0017 0.0181 658 ARG 70 O 0.0098 -0.0039 0.0060 659 ARG 70 CB 0.0112 0.0220 0.0228 660 ARG 70 CG 0.0039 0.0296 0.0097 661 ARG 70 CD -0.0007 0.0255 -0.0032 662 ARG 70 NE -0.0076 0.0320 -0.0160 663 ARG 70 CZ -0.0119 0.0257 -0.0294 664 ARG 70 NH1 -0.0100 0.0126 -0.0317 665 ARG 70 NH2 -0.0182 0.0327 -0.0403 666 ARG 70 H 0.0230 0.0050 0.0415 667 ARG 70 HA 0.0109 0.0014 0.0113 668 ARG 70 HB2 0.0116 0.0264 0.0261 669 ARG 70 HB3 0.0142 0.0249 0.0314 670 ARG 70 HG2 0.0022 0.0418 0.0121 671 ARG 70 HG3 0.0037 0.0259 0.0072 672 ARG 70 HD2 0.0011 0.0133 -0.0053 673 ARG 70 HD3 -0.0006 0.0295 -0.0008 674 ARG 70 HE -0.0091 0.0417 -0.0144 675 ARG 70 HH11 -0.0053 0.0069 -0.0238 676 ARG 70 HH12 -0.0131 0.0077 -0.0416 677 ARG 70 HH21 -0.0197 0.0426 -0.0388 678 ARG 70 HH22 -0.0216 0.0285 -0.0506 679 LEU 71 N 0.0031 -0.0057 0.0128 680 LEU 71 CA 0.0043 -0.0039 0.0145 681 LEU 71 C 0.0062 0.0009 0.0157 682 LEU 71 O 0.0080 0.0022 0.0190 683 LEU 71 CB 0.0029 -0.0037 0.0111 684 LEU 71 CG 0.0009 -0.0083 0.0096 685 LEU 71 CD1 -0.0002 -0.0077 0.0064 686 LEU 71 CD2 0.0015 -0.0118 0.0133 687 LEU 71 H 0.0016 -0.0062 0.0097 688 LEU 71 HA 0.0049 -0.0060 0.0174 689 LEU 71 HB2 0.0024 -0.0015 0.0083 690 LEU 71 HB3 0.0040 -0.0023 0.0126 691 LEU 71 HG -0.0002 -0.0095 0.0078 692 LEU 71 HD11 0.0009 -0.0064 0.0081 693 LEU 71 HD12 -0.0006 -0.0052 0.0037 694 LEU 71 HD13 -0.0016 -0.0109 0.0053 695 LEU 71 HD21 0.0021 -0.0125 0.0154 696 LEU 71 HD22 0.0026 -0.0106 0.0152 697 LEU 71 HD23 0.0000 -0.0149 0.0120 698 LYS 72 N 0.0033 -0.0140 0.0151 699 LYS 72 CA 0.0057 -0.0073 0.0161 700 LYS 72 C 0.0074 -0.0078 0.0226 701 LYS 72 O 0.0101 -0.0032 0.0267 702 LYS 72 CB 0.0047 -0.0047 0.0096 703 LYS 72 CG 0.0071 0.0024 0.0100 704 LYS 72 CD 0.0060 0.0047 0.0032 705 LYS 72 CE 0.0084 0.0118 0.0035 706 LYS 72 NZ 0.0073 0.0144 -0.0032 707 LYS 72 H 0.0013 -0.0162 0.0109 708 LYS 72 HA 0.0071 -0.0038 0.0169 709 LYS 72 HB2 0.0035 -0.0045 0.0051 710 LYS 72 HB3 0.0034 -0.0083 0.0089 711 LYS 72 HG2 0.0083 0.0021 0.0141 712 LYS 72 HG3 0.0086 0.0060 0.0110 713 LYS 72 HD2 0.0048 0.0049 -0.0010 714 LYS 72 HD3 0.0045 0.0011 0.0022 715 LYS 72 HE2 0.0094 0.0116 0.0075 716 LYS 72 HE3 0.0099 0.0153 0.0047 717 LYS 72 HZ1 0.0058 0.0111 -0.0045 718 LYS 72 HZ2 0.0062 0.0147 -0.0072 719 LYS 72 HZ3 0.0090 0.0192 -0.0028 720 GLN 73 N -0.0066 -0.0133 0.0136 721 GLN 73 CA -0.0087 -0.0130 0.0099 722 GLN 73 C -0.0122 -0.0092 -0.0031 723 GLN 73 O -0.0192 -0.0120 -0.0078 724 GLN 73 CB 0.0010 -0.0083 0.0143 725 GLN 73 CG 0.0048 -0.0118 0.0272 726 GLN 73 CD 0.0146 -0.0068 0.0313 727 GLN 73 OE1 0.0209 0.0006 0.0255 728 GLN 73 NE2 0.0159 -0.0106 0.0410 729 GLN 73 H 0.0005 -0.0100 0.0172 730 GLN 73 HA -0.0147 -0.0191 0.0134 731 GLN 73 HB2 0.0071 -0.0023 0.0110 732 GLN 73 HB3 -0.0007 -0.0080 0.0113 733 GLN 73 HG2 -0.0011 -0.0177 0.0306 734 GLN 73 HG3 0.0062 -0.0123 0.0304 735 GLN 73 HE21 0.0105 -0.0165 0.0451 736 GLN 73 HE22 0.0221 -0.0076 0.0441 737 LEU 74 N 0.0037 -0.0074 0.0041 738 LEU 74 CA 0.0025 -0.0047 -0.0043 739 LEU 74 C 0.0048 -0.0214 -0.0046 740 LEU 74 O 0.0041 -0.0225 -0.0140 741 LEU 74 CB 0.0013 0.0105 0.0045 742 LEU 74 CG -0.0004 0.0166 -0.0039 743 LEU 74 CD1 -0.0030 0.0222 -0.0227 744 LEU 74 CD2 -0.0014 0.0315 0.0067 745 LEU 74 H 0.0043 -0.0032 0.0161 746 LEU 74 HA 0.0007 -0.0013 -0.0176 747 LEU 74 HB2 -0.0001 0.0213 0.0058 748 LEU 74 HB3 0.0032 0.0057 0.0173 749 LEU 74 HG 0.0011 0.0060 -0.0041 750 LEU 74 HD11 -0.0042 0.0266 -0.0281 751 LEU 74 HD12 -0.0045 0.0326 -0.0229 752 LEU 74 HD13 -0.0023 0.0113 -0.0303 753 LEU 74 HD21 -0.0029 0.0423 0.0071 754 LEU 74 HD22 -0.0026 0.0357 0.0007 755 LEU 74 HD23 0.0004 0.0273 0.0198 756 SER 75 N 0.0033 -0.0099 0.0222 757 SER 75 CA 0.0015 -0.0186 0.0217 758 SER 75 C 0.0102 0.0010 0.0268 759 SER 75 O 0.0060 0.0008 0.0233 760 SER 75 CB -0.0194 -0.0271 0.0049 761 SER 75 OG -0.0214 -0.0370 0.0044 762 SER 75 H 0.0130 -0.0164 0.0313 763 SER 75 HA 0.0099 -0.0341 0.0309 764 SER 75 HB2 -0.0246 -0.0411 0.0022 765 SER 75 HB3 -0.0278 -0.0116 -0.0042 766 SER 75 HG -0.0295 -0.0520 -0.0007 767 VAL 76 N 0.0103 -0.0061 0.0278 768 VAL 76 CA 0.0087 -0.0083 0.0321 769 VAL 76 C 0.0104 -0.0095 0.0333 770 VAL 76 O 0.0129 -0.0118 0.0361 771 VAL 76 CB 0.0034 -0.0075 0.0330 772 VAL 76 CG1 0.0018 -0.0098 0.0374 773 VAL 76 CG2 0.0016 -0.0064 0.0318 774 VAL 76 H 0.0080 -0.0044 0.0258 775 VAL 76 HA 0.0101 -0.0098 0.0339 776 VAL 76 HB 0.0021 -0.0061 0.0311 777 VAL 76 HG11 -0.0019 -0.0092 0.0380 778 VAL 76 HG12 0.0032 -0.0113 0.0393 779 VAL 76 HG13 0.0029 -0.0106 0.0382 780 VAL 76 HG21 -0.0021 -0.0058 0.0324 781 VAL 76 HG22 0.0026 -0.0047 0.0286 782 VAL 76 HG23 0.0030 -0.0078 0.0336 783 GLU 77 N 0.0088 -0.0075 0.0232 784 GLU 77 CA 0.0107 -0.0015 0.0178 785 GLU 77 C 0.0117 0.0021 0.0128 786 GLU 77 O 0.0098 -0.0010 0.0067 787 GLU 77 CB 0.0091 -0.0041 0.0124 788 GLU 77 CG 0.0057 -0.0113 0.0077 789 GLU 77 CD 0.0043 -0.0133 0.0021 790 GLU 77 OE1 0.0035 -0.0162 0.0051 791 GLU 77 OE2 0.0041 -0.0121 -0.0055 792 GLU 77 H 0.0073 -0.0108 0.0211 793 GLU 77 HA 0.0129 0.0029 0.0217 794 GLU 77 HB2 0.0105 0.0004 0.0079 795 GLU 77 HB3 0.0091 -0.0050 0.0160 796 GLU 77 HG2 0.0042 -0.0160 0.0120 797 GLU 77 HG3 0.0057 -0.0104 0.0040 798 PRO 78 N -0.0017 -0.0093 0.0182 799 PRO 78 CA -0.0024 -0.0101 0.0199 800 PRO 78 C 0.0034 -0.0034 0.0052 801 PRO 78 O 0.0021 0.0099 -0.0014 802 PRO 78 CB -0.0128 0.0007 0.0313 803 PRO 78 CG -0.0175 0.0026 0.0386 804 PRO 78 CD -0.0107 0.0015 0.0271 805 PRO 78 HA -0.0000 -0.0220 0.0237 806 PRO 78 HB2 -0.0138 0.0120 0.0258 807 PRO 78 HB3 -0.0151 -0.0049 0.0392 808 PRO 78 HG2 -0.0237 0.0140 0.0422 809 PRO 78 HG3 -0.0192 -0.0069 0.0479 810 PRO 78 HD2 -0.0112 0.0130 0.0204 811 PRO 78 HD3 -0.0117 -0.0034 0.0322 812 TYR 79 N -0.0167 -0.0083 -0.0056 813 TYR 79 CA 0.0132 -0.0031 -0.0272 814 TYR 79 C 0.0293 0.0091 -0.0391 815 TYR 79 O 0.0308 0.0406 -0.0406 816 TYR 79 CB 0.0176 0.0209 -0.0307 817 TYR 79 CG 0.0053 0.0062 -0.0217 818 TYR 79 CD1 -0.0223 0.0132 -0.0018 819 TYR 79 CD2 0.0215 -0.0150 -0.0331 820 TYR 79 CE1 -0.0336 -0.0004 0.0066 821 TYR 79 CE2 0.0104 -0.0287 -0.0250 822 TYR 79 CZ -0.0172 -0.0215 -0.0051 823 TYR 79 OH -0.0285 -0.0354 0.0033 824 TYR 79 H -0.0237 -0.0323 -0.0003 825 TYR 79 HA 0.0213 -0.0288 -0.0329 826 TYR 79 HB2 0.0077 0.0459 -0.0239 827 TYR 79 HB3 0.0400 0.0243 -0.0470 828 TYR 79 HD1 -0.0352 0.0297 0.0073 829 TYR 79 HD2 0.0431 -0.0207 -0.0487 830 TYR 79 HE1 -0.0553 0.0055 0.0222 831 TYR 79 HE2 0.0234 -0.0452 -0.0341 832 TYR 79 HH -0.0232 -0.0599 -0.0003 833 SER 80 N -0.0030 0.0010 -0.0163 834 SER 80 CA -0.0044 -0.0020 -0.0171 835 SER 80 C -0.0088 -0.0014 -0.0176 836 SER 80 O -0.0108 0.0009 -0.0174 837 SER 80 CB -0.0022 -0.0018 -0.0167 838 SER 80 OG -0.0031 -0.0048 -0.0174 839 SER 80 H -0.0027 0.0035 -0.0158 840 SER 80 HA -0.0038 -0.0048 -0.0175 841 SER 80 HB2 0.0010 -0.0020 -0.0163 842 SER 80 HB3 -0.0029 0.0010 -0.0163 843 SER 80 HG -0.0016 -0.0071 -0.0176 844 GLN 81 N -0.0159 -0.0007 -0.0150 845 GLN 81 CA -0.0136 -0.0007 -0.0099 846 GLN 81 C -0.0126 -0.0018 -0.0065 847 GLN 81 O -0.0127 -0.0005 -0.0080 848 GLN 81 CB -0.0113 0.0044 -0.0093 849 GLN 81 CG -0.0091 0.0043 -0.0043 850 GLN 81 CD -0.0066 0.0093 -0.0034 851 GLN 81 OE1 -0.0058 0.0133 -0.0052 852 GLN 81 NE2 -0.0054 0.0092 -0.0005 853 GLN 81 H -0.0157 0.0024 -0.0174 854 GLN 81 HA -0.0144 -0.0036 -0.0090 855 GLN 81 HB2 -0.0122 0.0054 -0.0122 856 GLN 81 HB3 -0.0103 0.0072 -0.0097 857 GLN 81 HG2 -0.0084 0.0030 -0.0014 858 GLN 81 HG3 -0.0100 0.0017 -0.0040 859 GLN 81 HE21 -0.0062 0.0059 0.0008 860 GLN 81 HE22 -0.0038 0.0124 0.0002 861 GLU 82 N -0.0223 0.0153 -0.0094 862 GLU 82 CA -0.0150 -0.0002 -0.0008 863 GLU 82 C -0.0339 0.0040 0.0190 864 GLU 82 O -0.0317 -0.0063 0.0284 865 GLU 82 CB 0.0017 -0.0249 0.0065 866 GLU 82 CG 0.0108 -0.0421 0.0149 867 GLU 82 CD 0.0275 -0.0652 0.0204 868 GLU 82 OE1 0.0222 -0.0754 0.0394 869 GLU 82 OE2 0.0463 -0.0736 0.0056 870 GLU 82 H -0.0228 0.0285 -0.0245 871 GLU 82 HA -0.0080 0.0048 -0.0158 872 GLU 82 HB2 0.0146 -0.0263 -0.0087 873 GLU 82 HB3 -0.0054 -0.0290 0.0207 874 GLU 82 HG2 -0.0016 -0.0419 0.0310 875 GLU 82 HG3 0.0176 -0.0379 0.0011 876 GLU 83 N -0.0264 0.0095 0.0017 877 GLU 83 CA -0.0219 0.0091 -0.0016 878 GLU 83 C -0.0208 0.0002 -0.0004 879 GLU 83 O -0.0227 -0.0011 0.0013 880 GLU 83 CB -0.0152 0.0121 -0.0075 881 GLU 83 CG -0.0100 0.0119 -0.0114 882 GLU 83 CD -0.0038 0.0158 -0.0170 883 GLU 83 OE1 0.0005 0.0118 -0.0195 884 GLU 83 OE2 -0.0033 0.0230 -0.0191 885 GLU 83 H -0.0255 0.0054 0.0019 886 GLU 83 HA -0.0244 0.0133 -0.0007 887 GLU 83 HB2 -0.0162 0.0184 -0.0081 888 GLU 83 HB3 -0.0129 0.0081 -0.0083 889 GLU 83 HG2 -0.0084 0.0055 -0.0112 890 GLU 83 HG3 -0.0124 0.0153 -0.0104 891 ALA 84 N -0.0107 0.0052 -0.0161 892 ALA 84 CA -0.0037 -0.0038 -0.0108 893 ALA 84 C -0.0094 -0.0076 0.0001 894 ALA 84 O -0.0055 -0.0151 0.0065 895 ALA 84 CB 0.0035 -0.0077 -0.0125 896 ALA 84 H -0.0134 0.0070 -0.0160 897 ALA 84 HA 0.0003 -0.0045 -0.0137 898 ALA 84 HB1 0.0084 -0.0142 -0.0084 899 ALA 84 HB2 -0.0006 -0.0066 -0.0100 900 ALA 84 HB3 0.0077 -0.0051 -0.0203 901 GLU 85 N -0.0072 -0.0065 0.0020 902 GLU 85 CA -0.0188 -0.0111 0.0112 903 GLU 85 C -0.0286 0.0032 0.0138 904 GLU 85 O -0.0293 0.0119 0.0118 905 GLU 85 CB -0.0173 -0.0183 0.0121 906 GLU 85 CG -0.0281 -0.0264 0.0218 907 GLU 85 CD -0.0406 -0.0165 0.0275 908 GLU 85 OE1 -0.0422 -0.0115 0.0271 909 GLU 85 OE2 -0.0491 -0.0134 0.0324 910 GLU 85 H -0.0076 0.0043 -0.0008 911 GLU 85 HA -0.0215 -0.0190 0.0152 912 GLU 85 HB2 -0.0084 -0.0262 0.0083 913 GLU 85 HB3 -0.0166 -0.0094 0.0092 914 GLU 85 HG2 -0.0297 -0.0318 0.0243 915 GLU 85 HG3 -0.0248 -0.0344 0.0218 916 ARG 86 N -0.0164 0.0101 0.0135 917 ARG 86 CA -0.0221 0.0094 0.0044 918 ARG 86 C -0.0238 0.0095 0.0006 919 ARG 86 O -0.0180 0.0118 0.0022 920 ARG 86 CB -0.0186 0.0128 -0.0036 921 ARG 86 CG -0.0082 0.0178 -0.0045 922 ARG 86 CD -0.0047 0.0202 -0.0079 923 ARG 86 NE 0.0053 0.0247 -0.0078 924 ARG 86 CZ 0.0106 0.0274 -0.0086 925 ARG 86 NH1 0.0070 0.0260 -0.0100 926 ARG 86 NH2 0.0196 0.0314 -0.0079 927 ARG 86 H -0.0103 0.0128 0.0140 928 ARG 86 HA -0.0287 0.0061 0.0060 929 ARG 86 HB2 -0.0220 0.0127 -0.0106 930 ARG 86 HB3 -0.0205 0.0115 -0.0019 931 ARG 86 HG2 -0.0067 0.0196 -0.0099 932 ARG 86 HG3 -0.0048 0.0179 0.0025 933 ARG 86 HD2 -0.0067 0.0182 -0.0031 934 ARG 86 HD3 -0.0076 0.0204 -0.0153 935 ARG 86 HE 0.0081 0.0259 -0.0070 936 ARG 86 HH11 0.0003 0.0230 -0.0106 937 ARG 86 HH12 0.0110 0.0280 -0.0106 938 ARG 86 HH21 0.0226 0.0325 -0.0069 939 ARG 86 HH22 0.0239 0.0335 -0.0083 940 ALA 87 N 0.1338 -0.0534 -0.0442 941 ALA 87 CA 0.0516 -0.0499 0.0017 942 ALA 87 C 0.0302 0.0196 -0.0133 943 ALA 87 O -0.0351 0.0660 0.0061 944 ALA 87 CB 0.0004 -0.0301 0.0232 945 ALA 87 H 0.1458 -0.0091 -0.0684 946 ALA 87 HA 0.0442 -0.1105 0.0295 947 ALA 87 HB1 0.0093 0.0296 -0.0052 948 ALA 87 HB2 0.0164 -0.0798 0.0335 949 ALA 87 HB3 -0.0608 -0.0255 0.0565 950 ALA 88 N 0.0167 0.0008 0.0328 951 ALA 88 CA 0.0109 0.0331 0.0314 952 ALA 88 C 0.0082 0.0249 0.0329 953 ALA 88 O 0.0336 0.0257 0.0258 954 ALA 88 CB 0.0392 0.0595 0.0212 955 ALA 88 H 0.0344 -0.0159 0.0294 956 ALA 88 HA -0.0135 0.0447 0.0371 957 ALA 88 HB1 0.0637 0.0484 0.0154 958 ALA 88 HB2 0.0406 0.0648 0.0203 959 ALA 88 HB3 0.0334 0.0839 0.0206 960 GLY 89 N 0.0035 0.0169 0.0186 961 GLY 89 CA -0.0046 0.0245 0.0165 962 GLY 89 C -0.0206 0.0242 0.0088 963 GLY 89 O -0.0263 0.0301 0.0075 964 GLY 89 H -0.0010 0.0097 0.0148 965 GLY 89 HA2 -0.0021 0.0365 0.0206 966 GLY 89 HA3 -0.0017 0.0186 0.0165 967 MET 90 N 0.0121 0.0028 0.0382 968 MET 90 CA 0.0034 0.0037 0.0191 969 MET 90 C -0.0039 0.0190 0.0173 970 MET 90 O -0.0027 0.0168 0.0178 971 MET 90 CB 0.0066 -0.0149 0.0085 972 MET 90 CG -0.0018 -0.0167 -0.0124 973 MET 90 SD -0.0122 -0.0015 -0.0215 974 MET 90 CE -0.0193 -0.0092 -0.0453 975 MET 90 H 0.0131 0.0050 0.0427 976 MET 90 HA -0.0006 0.0074 0.0136 977 MET 90 HB2 0.0125 -0.0254 0.0120 978 MET 90 HB3 0.0096 -0.0175 0.0131 979 MET 90 HG2 -0.0049 -0.0142 -0.0170 980 MET 90 HG3 0.0017 -0.0306 -0.0178 981 MET 90 HE1 -0.0216 -0.0076 -0.0492 982 MET 90 HE2 -0.0259 -0.0012 -0.0526 983 MET 90 HE3 -0.0147 -0.0233 -0.0483 984 GLY 91 N -0.0206 0.0527 -0.0214 985 GLY 91 CA -0.0084 0.0009 0.0020 986 GLY 91 C 0.0059 -0.0440 0.0760 987 GLY 91 O 0.0205 -0.1165 0.0728 988 GLY 91 H -0.0167 0.0296 -0.0341 989 GLY 91 HA2 -0.0147 0.0360 0.0149 990 GLY 91 HA3 -0.0030 -0.0414 -0.0467 991 SER 92 N 0.0211 -0.0062 -0.0113 992 SER 92 CA -0.0017 -0.0257 0.0013 993 SER 92 C -0.0133 -0.0124 0.0398 994 SER 92 O -0.0004 0.0129 0.0527 995 SER 92 CB 0.0052 -0.0301 -0.0169 996 SER 92 OG 0.0161 -0.0425 -0.0530 997 SER 92 H 0.0365 0.0146 -0.0092 998 SER 92 HA -0.0161 -0.0478 -0.0046 999 SER 92 HB2 0.0195 -0.0082 -0.0112 1000 SER 92 HB3 -0.0123 -0.0458 -0.0085 1001 SER 92 HG 0.0196 -0.0408 -0.0567 1002 TYR 93 N 0.0060 -0.0230 -0.0010 1003 TYR 93 CA -0.0035 -0.0167 -0.0022 1004 TYR 93 C -0.0137 -0.0212 -0.0073 1005 TYR 93 O -0.0127 -0.0266 -0.0088 1006 TYR 93 CB -0.0033 -0.0043 0.0022 1007 TYR 93 CG -0.0119 0.0036 0.0019 1008 TYR 93 CD1 -0.0097 0.0078 0.0041 1009 TYR 93 CD2 -0.0221 0.0068 -0.0006 1010 TYR 93 CE1 -0.0174 0.0149 0.0038 1011 TYR 93 CE2 -0.0299 0.0140 -0.0009 1012 TYR 93 CZ -0.0275 0.0180 0.0013 1013 TYR 93 OH -0.0352 0.0251 0.0010 1014 TYR 93 H 0.0072 -0.0220 -0.0002 1015 TYR 93 HA -0.0034 -0.0179 -0.0026 1016 TYR 93 HB2 0.0047 -0.0019 0.0058 1017 TYR 93 HB3 -0.0045 -0.0032 0.0021 1018 TYR 93 HD1 -0.0017 0.0054 0.0060 1019 TYR 93 HD2 -0.0240 0.0036 -0.0024 1020 TYR 93 HE1 -0.0155 0.0181 0.0056 1021 TYR 93 HE2 -0.0378 0.0164 -0.0029 1022 TYR 93 HH -0.0421 0.0217 -0.0026 1023 VAL 94 N 0.0422 0.0072 -0.0003 1024 VAL 94 CA 0.0337 0.0019 -0.0007 1025 VAL 94 C 0.0323 0.0019 -0.0005 1026 VAL 94 O 0.0301 0.0092 0.0013 1027 VAL 94 CB 0.0246 0.0049 0.0008 1028 VAL 94 CG1 0.0226 0.0151 0.0033 1029 VAL 94 CG2 0.0161 -0.0011 0.0003 1030 VAL 94 H 0.0416 0.0126 0.0010 1031 VAL 94 HA 0.0352 -0.0052 -0.0024 1032 VAL 94 HB 0.0260 0.0038 0.0005 1033 VAL 94 HG11 0.0163 0.0168 0.0043 1034 VAL 94 HG12 0.0215 0.0165 0.0038 1035 VAL 94 HG13 0.0285 0.0193 0.0037 1036 VAL 94 HG21 0.0148 -0.0004 0.0006 1037 VAL 94 HG22 0.0099 0.0011 0.0014 1038 VAL 94 HG23 0.0174 -0.0083 -0.0014