1 ASP 28 N -0.0580 0.0005 -0.0098 2 ASP 28 CA -0.0105 0.0137 -0.0051 3 ASP 28 C 0.0090 0.0099 0.0003 4 ASP 28 O 0.0005 -0.0230 0.0110 5 ASP 28 CB 0.0134 -0.0136 0.0101 6 ASP 28 CG 0.0626 -0.0016 0.0156 7 ASP 28 OD1 0.0752 0.0339 0.0047 8 ASP 28 OD2 0.0892 -0.0279 0.0310 9 ASP 28 H -0.0722 0.0022 -0.0133 10 ASP 28 HA -0.0072 0.0465 -0.0168 11 ASP 28 HB2 -0.0008 -0.0103 0.0060 12 ASP 28 HB3 0.0090 -0.0464 0.0216 13 PRO 29 N 0.0601 0.0332 0.0106 14 PRO 29 CA 0.0361 0.0338 0.0056 15 PRO 29 C 0.0146 0.0562 0.0037 16 PRO 29 O 0.0071 0.0584 0.0024 17 PRO 29 CB 0.0237 0.0044 -0.0007 18 PRO 29 CG 0.0461 -0.0136 0.0019 19 PRO 29 CD 0.0635 0.0058 0.0080 20 PRO 29 HA 0.0423 0.0371 0.0073 21 PRO 29 HB2 0.0053 0.0064 -0.0043 22 PRO 29 HB3 0.0178 -0.0034 -0.0029 23 PRO 29 HG2 0.0369 -0.0294 -0.0020 24 PRO 29 HG3 0.0586 -0.0236 0.0033 25 PRO 29 HD2 0.0559 0.0070 0.0065 26 PRO 29 HD3 0.0850 -0.0017 0.0116 27 ASN 30 N 0.0131 0.0056 0.0598 28 ASN 30 CA 0.0101 0.0131 0.0355 29 ASN 30 C -0.0006 0.0121 0.0207 30 ASN 30 O -0.0195 0.0033 0.0130 31 ASN 30 CB -0.0010 0.0082 0.0301 32 ASN 30 CG -0.0054 0.0153 0.0049 33 ASN 30 OD1 0.0074 0.0264 -0.0033 34 ASN 30 ND2 -0.0234 0.0088 -0.0074 35 ASN 30 H 0.0269 0.0107 0.0689 36 ASN 30 HA 0.0255 0.0242 0.0316 37 ASN 30 HB2 0.0087 0.0105 0.0398 38 ASN 30 HB3 -0.0150 -0.0031 0.0367 39 ASN 30 HD21 -0.0332 -0.0004 0.0002 40 ASN 30 HD22 -0.0264 0.0132 -0.0237 41 ALA 31 N 0.0001 -0.0256 -0.0071 42 ALA 31 CA 0.0016 -0.0172 -0.0094 43 ALA 31 C 0.0012 -0.0255 -0.0175 44 ALA 31 O 0.0024 -0.0259 -0.0304 45 ALA 31 CB 0.0043 -0.0038 -0.0170 46 ALA 31 H -0.0006 -0.0343 -0.0124 47 ALA 31 HA 0.0010 -0.0144 0.0008 48 ALA 31 HB1 0.0054 0.0024 -0.0181 49 ALA 31 HB2 0.0050 -0.0063 -0.0273 50 ALA 31 HB3 0.0046 0.0021 -0.0112 51 GLU 32 N -0.0137 -0.0674 -0.0271 52 GLU 32 CA -0.0004 -0.0304 -0.0082 53 GLU 32 C 0.0240 0.0036 0.0118 54 GLU 32 O 0.0480 0.0329 0.0296 55 GLU 32 CB -0.0450 -0.0073 -0.0076 56 GLU 32 CG -0.0841 0.0134 -0.0069 57 GLU 32 CD -0.1265 0.0372 -0.0056 58 GLU 32 OE1 -0.1251 0.0786 0.0127 59 GLU 32 OE2 -0.1615 0.0153 -0.0226 60 GLU 32 H -0.0477 -0.0661 -0.0337 61 GLU 32 HA 0.0242 -0.0454 -0.0095 62 GLU 32 HB2 -0.0334 0.0196 0.0066 63 GLU 32 HB3 -0.0608 -0.0327 -0.0220 64 GLU 32 HG2 -0.0974 -0.0133 -0.0214 65 GLU 32 HG3 -0.0683 0.0379 0.0071 66 PHE 33 N -0.0005 0.0127 0.0046 67 PHE 33 CA 0.0047 0.0160 0.0095 68 PHE 33 C 0.0150 0.0073 0.0099 69 PHE 33 O 0.0168 -0.0017 0.0054 70 PHE 33 CB -0.0035 0.0181 0.0062 71 PHE 33 CG -0.0084 0.0087 -0.0021 72 PHE 33 CD1 -0.0028 0.0002 -0.0042 73 PHE 33 CD2 -0.0185 0.0083 -0.0079 74 PHE 33 CE1 -0.0073 -0.0084 -0.0118 75 PHE 33 CE2 -0.0230 -0.0003 -0.0155 76 PHE 33 CZ -0.0174 -0.0087 -0.0175 77 PHE 33 H -0.0048 0.0073 -0.0010 78 PHE 33 HA 0.0069 0.0235 0.0152 79 PHE 33 HB2 0.0009 0.0196 0.0095 80 PHE 33 HB3 -0.0101 0.0250 0.0068 81 PHE 33 HD1 0.0051 0.0003 0.0002 82 PHE 33 HD2 -0.0230 0.0149 -0.0064 83 PHE 33 HE1 -0.0029 -0.0150 -0.0133 84 PHE 33 HE2 -0.0310 -0.0004 -0.0200 85 PHE 33 HZ -0.0209 -0.0154 -0.0235 86 ASP 34 N 0.0083 -0.0083 0.0102 87 ASP 34 CA 0.0091 -0.0092 0.0104 88 ASP 34 C 0.0078 -0.0093 0.0101 89 ASP 34 O 0.0068 -0.0079 0.0100 90 ASP 34 CB 0.0108 -0.0081 0.0107 91 ASP 34 CG 0.0118 -0.0091 0.0109 92 ASP 34 OD1 0.0112 -0.0091 0.0108 93 ASP 34 OD2 0.0132 -0.0099 0.0111 94 ASP 34 H 0.0082 -0.0070 0.0102 95 ASP 34 HA 0.0095 -0.0106 0.0104 96 ASP 34 HB2 0.0116 -0.0079 0.0109 97 ASP 34 HB3 0.0104 -0.0068 0.0106 98 PRO 35 N 0.0162 0.0013 0.0027 99 PRO 35 CA 0.0184 0.0050 0.0061 100 PRO 35 C 0.0209 0.0092 0.0060 101 PRO 35 O 0.0230 0.0126 0.0086 102 PRO 35 CB 0.0190 0.0060 0.0039 103 PRO 35 CG 0.0185 0.0052 -0.0019 104 PRO 35 CD 0.0162 0.0014 -0.0024 105 PRO 35 HA 0.0177 0.0039 0.0101 106 PRO 35 HB2 0.0211 0.0095 0.0048 107 PRO 35 HB3 0.0176 0.0038 0.0056 108 PRO 35 HG2 0.0203 0.0082 -0.0037 109 PRO 35 HG3 0.0180 0.0044 -0.0036 110 PRO 35 HD2 0.0165 0.0020 -0.0056 111 PRO 35 HD3 0.0143 -0.0017 -0.0030 112 ASP 36 N -0.0018 -0.0180 0.0189 113 ASP 36 CA -0.0098 -0.0110 0.0108 114 ASP 36 C -0.0077 -0.0074 -0.0010 115 ASP 36 O -0.0159 -0.0012 -0.0068 116 ASP 36 CB -0.0082 -0.0109 0.0084 117 ASP 36 CG -0.0160 -0.0038 -0.0003 118 ASP 36 OD1 -0.0267 -0.0000 0.0033 119 ASP 36 OD2 -0.0113 -0.0018 -0.0111 120 ASP 36 H 0.0066 -0.0215 0.0175 121 ASP 36 HA -0.0188 -0.0085 0.0153 122 ASP 36 HB2 -0.0103 -0.0132 0.0171 123 ASP 36 HB3 0.0010 -0.0138 0.0047 124 LEU 37 N 0.0009 0.0091 -0.0006 125 LEU 37 CA 0.0015 0.0081 -0.0027 126 LEU 37 C -0.0003 0.0059 0.0076 127 LEU 37 O -0.0006 -0.0011 0.0144 128 LEU 37 CB 0.0048 -0.0005 -0.0112 129 LEU 37 CG 0.0069 0.0023 -0.0232 130 LEU 37 CD1 0.0061 0.0124 -0.0273 131 LEU 37 CD2 0.0071 0.0035 -0.0250 132 LEU 37 H 0.0020 0.0026 -0.0004 133 LEU 37 HA 0.0009 0.0160 -0.0061 134 LEU 37 HB2 0.0055 -0.0077 -0.0086 135 LEU 37 HB3 0.0050 -0.0025 -0.0107 136 LEU 37 HG 0.0091 -0.0044 -0.0280 137 LEU 37 HD11 0.0076 0.0141 -0.0357 138 LEU 37 HD12 0.0039 0.0193 -0.0226 139 LEU 37 HD13 0.0061 0.0112 -0.0266 140 LEU 37 HD21 0.0086 0.0055 -0.0334 141 LEU 37 HD22 0.0079 -0.0040 -0.0226 142 LEU 37 HD23 0.0049 0.0100 -0.0201 143 PRO 38 N -0.0019 -0.0031 0.0027 144 PRO 38 CA -0.0022 -0.0040 0.0064 145 PRO 38 C 0.0001 -0.0094 0.0065 146 PRO 38 O 0.0016 -0.0114 0.0023 147 PRO 38 CB -0.0033 -0.0005 0.0042 148 PRO 38 CG -0.0043 0.0034 0.0007 149 PRO 38 CD -0.0029 0.0008 -0.0015 150 PRO 38 HA -0.0032 -0.0031 0.0104 151 PRO 38 HB2 -0.0020 -0.0025 0.0019 152 PRO 38 HB3 -0.0045 0.0012 0.0074 153 PRO 38 HG2 -0.0044 0.0048 -0.0025 154 PRO 38 HG3 -0.0060 0.0064 0.0031 155 PRO 38 HD2 -0.0016 -0.0008 -0.0052 156 PRO 38 HD3 -0.0039 0.0034 -0.0021 157 GLY 39 N 0.0003 -0.0100 0.0122 158 GLY 39 CA 0.0036 -0.0114 0.0120 159 GLY 39 C 0.0043 -0.0108 0.0135 160 GLY 39 O 0.0063 -0.0120 0.0128 161 GLY 39 H 0.0000 -0.0090 0.0137 162 GLY 39 HA2 0.0053 -0.0114 0.0131 163 GLY 39 HA3 0.0038 -0.0128 0.0097 164 GLY 40 N 0.0031 -0.0073 0.0139 165 GLY 40 CA 0.0025 -0.0071 0.0130 166 GLY 40 C 0.0019 -0.0074 0.0126 167 GLY 40 O 0.0013 -0.0074 0.0119 168 GLY 40 H 0.0037 -0.0068 0.0140 169 GLY 40 HA2 0.0029 -0.0065 0.0126 170 GLY 40 HA3 0.0022 -0.0074 0.0131 171 GLY 41 N -0.0004 -0.0030 0.0037 172 GLY 41 CA -0.0021 -0.0041 0.0020 173 GLY 41 C -0.0032 -0.0070 0.0023 174 GLY 41 O -0.0048 -0.0082 0.0008 175 GLY 41 H 0.0007 -0.0025 0.0051 176 GLY 41 HA2 -0.0018 -0.0039 0.0023 177 GLY 41 HA3 -0.0028 -0.0030 0.0002 178 LEU 42 N -0.0128 -0.0000 0.0151 179 LEU 42 CA -0.0094 0.0056 0.0139 180 LEU 42 C -0.0073 -0.0008 0.0093 181 LEU 42 O -0.0053 0.0026 0.0087 182 LEU 42 CB -0.0024 0.0129 0.0099 183 LEU 42 CG -0.0034 0.0201 0.0137 184 LEU 42 CD1 0.0040 0.0268 0.0090 185 LEU 42 CD2 -0.0087 0.0259 0.0213 186 LEU 42 H -0.0094 -0.0013 0.0113 187 LEU 42 HA -0.0131 0.0095 0.0192 188 LEU 42 HB2 0.0013 0.0089 0.0046 189 LEU 42 HB3 0.0000 0.0170 0.0091 190 LEU 42 HG -0.0057 0.0160 0.0144 191 LEU 42 HD11 0.0032 0.0318 0.0118 192 LEU 42 HD12 0.0065 0.0308 0.0081 193 LEU 42 HD13 0.0076 0.0226 0.0038 194 LEU 42 HD21 -0.0066 0.0299 0.0208 195 LEU 42 HD22 -0.0093 0.0310 0.0238 196 LEU 42 HD23 -0.0141 0.0210 0.0247 197 HIS 43 N 0.0059 -0.0112 0.0040 198 HIS 43 CA 0.0070 -0.0142 -0.0002 199 HIS 43 C 0.0021 -0.0145 -0.0041 200 HIS 43 O -0.0015 -0.0128 -0.0039 201 HIS 43 CB 0.0088 -0.0143 0.0009 202 HIS 43 CG 0.0134 -0.0137 0.0051 203 HIS 43 ND1 0.0185 -0.0161 0.0047 204 HIS 43 CD2 0.0135 -0.0108 0.0099 205 HIS 43 CE1 0.0216 -0.0149 0.0089 206 HIS 43 NE2 0.0187 -0.0117 0.0122 207 HIS 43 H 0.0029 -0.0091 0.0054 208 HIS 43 HA 0.0101 -0.0163 -0.0016 209 HIS 43 HB2 0.0055 -0.0125 0.0015 210 HIS 43 HB3 0.0100 -0.0167 -0.0023 211 HIS 43 HD1 0.0197 -0.0185 0.0017 212 HIS 43 HD2 0.0102 -0.0084 0.0116 213 HIS 43 HE1 0.0259 -0.0163 0.0096 214 HIS 43 HE2 0.0200 -0.0101 0.0158 215 ARG 44 N -0.0108 -0.0105 0.0015 216 ARG 44 CA -0.0098 -0.0086 0.0001 217 ARG 44 C -0.0119 -0.0129 0.0034 218 ARG 44 O -0.0156 -0.0178 0.0045 219 ARG 44 CB -0.0122 -0.0079 -0.0072 220 ARG 44 CG -0.0117 -0.0049 -0.0119 221 ARG 44 CD -0.0148 -0.0050 -0.0188 222 ARG 44 NE -0.0147 -0.0025 -0.0237 223 ARG 44 CZ -0.0167 -0.0016 -0.0302 224 ARG 44 NH1 -0.0189 -0.0031 -0.0325 225 ARG 44 NH2 -0.0164 0.0008 -0.0343 226 ARG 44 H -0.0141 -0.0141 0.0008 227 ARG 44 HA -0.0060 -0.0047 0.0012 228 ARG 44 HB2 -0.0159 -0.0119 -0.0079 229 ARG 44 HB3 -0.0108 -0.0056 -0.0082 230 ARG 44 HG2 -0.0080 -0.0007 -0.0115 231 ARG 44 HG3 -0.0129 -0.0070 -0.0105 232 ARG 44 HD2 -0.0184 -0.0092 -0.0190 233 ARG 44 HD3 -0.0134 -0.0028 -0.0200 234 ARG 44 HE -0.0131 -0.0015 -0.0219 235 ARG 44 HH11 -0.0192 -0.0049 -0.0296 236 ARG 44 HH12 -0.0205 -0.0025 -0.0374 237 ARG 44 HH21 -0.0148 0.0020 -0.0328 238 ARG 44 HH22 -0.0179 0.0015 -0.0392 239 CYS 45 N -0.0017 0.0012 0.0082 240 CYS 45 CA -0.0015 0.0024 0.0094 241 CYS 45 C -0.0010 0.0018 0.0126 242 CYS 45 O -0.0010 -0.0007 0.0135 243 CYS 45 CB -0.0018 0.0011 0.0081 244 CYS 45 SG -0.0014 0.0023 0.0100 245 CYS 45 H -0.0019 -0.0009 0.0079 246 CYS 45 HA -0.0014 0.0048 0.0090 247 CYS 45 HB2 -0.0021 0.0019 0.0059 248 CYS 45 HB3 -0.0019 -0.0013 0.0080 249 LEU 46 N -0.0197 0.0014 0.0281 250 LEU 46 CA -0.0153 0.0009 0.0208 251 LEU 46 C -0.0052 0.0059 0.0290 252 LEU 46 O 0.0050 0.0075 0.0230 253 LEU 46 CB -0.0278 -0.0035 0.0177 254 LEU 46 CG -0.0381 -0.0088 0.0086 255 LEU 46 CD1 -0.0507 -0.0129 0.0072 256 LEU 46 CD2 -0.0313 -0.0103 -0.0058 257 LEU 46 H -0.0294 -0.0006 0.0316 258 LEU 46 HA -0.0100 0.0001 0.0109 259 LEU 46 HB2 -0.0332 -0.0027 0.0275 260 LEU 46 HB3 -0.0243 -0.0038 0.0125 261 LEU 46 HG -0.0411 -0.0084 0.0138 262 LEU 46 HD11 -0.0559 -0.0119 0.0174 263 LEU 46 HD12 -0.0576 -0.0166 0.0004 264 LEU 46 HD13 -0.0474 -0.0130 0.0029 265 LEU 46 HD21 -0.0230 -0.0076 -0.0047 266 LEU 46 HD22 -0.0274 -0.0104 -0.0108 267 LEU 46 HD23 -0.0390 -0.0141 -0.0120 268 ALA 47 N -0.0091 0.0041 0.0245 269 ALA 47 CA -0.0122 -0.0002 0.0229 270 ALA 47 C -0.0171 -0.0062 0.0221 271 ALA 47 O -0.0207 -0.0103 0.0224 272 ALA 47 CB -0.0097 0.0006 0.0162 273 ALA 47 H -0.0060 0.0066 0.0211 274 ALA 47 HA -0.0129 0.0004 0.0273 275 ALA 47 HB1 -0.0121 -0.0025 0.0152 276 ALA 47 HB2 -0.0091 -0.0001 0.0117 277 ALA 47 HB3 -0.0063 0.0048 0.0168 278 CYS 48 N -0.0003 0.0092 0.0162 279 CYS 48 CA -0.0006 0.0041 0.0150 280 CYS 48 C 0.0001 -0.0006 0.0156 281 CYS 48 O 0.0004 -0.0051 0.0155 282 CYS 48 CB -0.0036 0.0039 0.0103 283 CYS 48 SG -0.0041 0.0084 0.0099 284 CYS 48 H -0.0015 0.0105 0.0144 285 CYS 48 HA 0.0009 0.0037 0.0175 286 CYS 48 HB2 -0.0054 0.0051 0.0074 287 CYS 48 HB3 -0.0037 0.0001 0.0096 288 ALA 49 N 0.0018 -0.0038 0.0178 289 ALA 49 CA 0.0039 -0.0090 0.0135 290 ALA 49 C 0.0040 -0.0141 0.0061 291 ALA 49 O 0.0072 -0.0199 0.0029 292 ALA 49 CB 0.0103 -0.0127 0.0189 293 ALA 49 H -0.0019 0.0010 0.0188 294 ALA 49 HA 0.0005 -0.0063 0.0118 295 ALA 49 HB1 0.0137 -0.0154 0.0206 296 ALA 49 HB2 0.0101 -0.0090 0.0240 297 ALA 49 HB3 0.0116 -0.0163 0.0158 298 ARG 50 N 0.0087 -0.0097 0.0139 299 ARG 50 CA -0.0016 -0.0137 0.0130 300 ARG 50 C -0.0044 -0.0169 0.0138 301 ARG 50 O -0.0010 -0.0125 0.0125 302 ARG 50 CB -0.0086 -0.0070 0.0073 303 ARG 50 CG -0.0069 -0.0039 0.0062 304 ARG 50 CD -0.0142 0.0027 0.0005 305 ARG 50 NE -0.0125 0.0060 -0.0007 306 ARG 50 CZ -0.0174 0.0124 -0.0056 307 ARG 50 NH1 -0.0244 0.0159 -0.0096 308 ARG 50 NH2 -0.0152 0.0151 -0.0064 309 ARG 50 H 0.0107 -0.0036 0.0113 310 ARG 50 HA -0.0023 -0.0196 0.0159 311 ARG 50 HB2 -0.0077 -0.0010 0.0044 312 ARG 50 HB3 -0.0162 -0.0103 0.0068 313 ARG 50 HG2 -0.0080 -0.0098 0.0090 314 ARG 50 HG3 0.0006 -0.0005 0.0066 315 ARG 50 HD2 -0.0132 0.0085 -0.0023 316 ARG 50 HD3 -0.0217 -0.0008 0.0001 317 ARG 50 HE -0.0075 0.0031 0.0023 318 ARG 50 HH11 -0.0264 0.0140 -0.0091 319 ARG 50 HH12 -0.0283 0.0207 -0.0132 320 ARG 50 HH21 -0.0100 0.0125 -0.0034 321 ARG 50 HH22 -0.0186 0.0199 -0.0100 322 TYR 51 N 0.0021 -0.0029 -0.0037 323 TYR 51 CA 0.0006 -0.0055 -0.0024 324 TYR 51 C 0.0019 -0.0041 0.0045 325 TYR 51 O 0.0051 0.0008 0.0063 326 TYR 51 CB 0.0017 -0.0031 -0.0074 327 TYR 51 CG 0.0008 -0.0038 -0.0145 328 TYR 51 CD1 0.0031 0.0003 -0.0179 329 TYR 51 CD2 -0.0024 -0.0085 -0.0179 330 TYR 51 CE1 0.0022 -0.0003 -0.0243 331 TYR 51 CE2 -0.0032 -0.0091 -0.0244 332 TYR 51 CZ -0.0009 -0.0050 -0.0276 333 TYR 51 OH -0.0017 -0.0056 -0.0341 334 TYR 51 H 0.0046 0.0012 -0.0045 335 TYR 51 HA -0.0022 -0.0099 -0.0030 336 TYR 51 HB2 0.0045 0.0014 -0.0066 337 TYR 51 HB3 0.0005 -0.0051 -0.0065 338 TYR 51 HD1 0.0055 0.0041 -0.0154 339 TYR 51 HD2 -0.0042 -0.0117 -0.0154 340 TYR 51 HE1 0.0040 0.0030 -0.0269 341 TYR 51 HE2 -0.0057 -0.0128 -0.0270 342 TYR 51 HH 0.0004 -0.0019 -0.0363 343 PHE 52 N 0.0049 -0.0087 -0.0016 344 PHE 52 CA 0.0030 -0.0082 -0.0018 345 PHE 52 C 0.0018 -0.0097 -0.0021 346 PHE 52 O 0.0021 -0.0105 -0.0021 347 PHE 52 CB 0.0025 -0.0063 -0.0017 348 PHE 52 CG 0.0037 -0.0047 -0.0014 349 PHE 52 CD1 0.0054 -0.0043 -0.0012 350 PHE 52 CD2 0.0031 -0.0035 -0.0014 351 PHE 52 CE1 0.0065 -0.0029 -0.0009 352 PHE 52 CE2 0.0042 -0.0020 -0.0011 353 PHE 52 CZ 0.0059 -0.0017 -0.0009 354 PHE 52 H 0.0053 -0.0087 -0.0015 355 PHE 52 HA 0.0029 -0.0081 -0.0018 356 PHE 52 HB2 0.0025 -0.0064 -0.0017 357 PHE 52 HB3 0.0010 -0.0060 -0.0019 358 PHE 52 HD1 0.0058 -0.0052 -0.0012 359 PHE 52 HD2 0.0018 -0.0038 -0.0016 360 PHE 52 HE1 0.0078 -0.0026 -0.0007 361 PHE 52 HE2 0.0037 -0.0011 -0.0011 362 PHE 52 HZ 0.0067 -0.0006 -0.0007 363 ILE 53 N -0.0024 -0.0111 -0.0025 364 ILE 53 CA -0.0027 -0.0137 0.0060 365 ILE 53 C 0.0063 -0.0145 0.0062 366 ILE 53 O 0.0097 -0.0172 0.0141 367 ILE 53 CB -0.0128 -0.0130 0.0066 368 ILE 53 CG1 -0.0143 -0.0100 -0.0028 369 ILE 53 CG2 -0.0218 -0.0128 0.0086 370 ILE 53 CD1 -0.0239 -0.0092 -0.0027 371 ILE 53 H -0.0081 -0.0093 -0.0070 372 ILE 53 HA -0.0024 -0.0156 0.0124 373 ILE 53 HB -0.0122 -0.0149 0.0128 374 ILE 53 HG12 -0.0146 -0.0081 -0.0090 375 ILE 53 HG13 -0.0079 -0.0103 -0.0038 376 ILE 53 HG21 -0.0222 -0.0110 0.0028 377 ILE 53 HG22 -0.0207 -0.0150 0.0156 378 ILE 53 HG23 -0.0288 -0.0123 0.0090 379 ILE 53 HD11 -0.0236 -0.0110 0.0033 380 ILE 53 HD12 -0.0244 -0.0071 -0.0096 381 ILE 53 HD13 -0.0305 -0.0089 -0.0016 382 ASP 54 N 0.0067 -0.0169 -0.0074 383 ASP 54 CA 0.0078 -0.0141 -0.0088 384 ASP 54 C 0.0110 -0.0097 -0.0102 385 ASP 54 O 0.0111 -0.0085 -0.0111 386 ASP 54 CB 0.0035 -0.0140 -0.0121 387 ASP 54 CG 0.0043 -0.0114 -0.0137 388 ASP 54 OD1 0.0046 -0.0131 -0.0120 389 ASP 54 OD2 0.0047 -0.0077 -0.0166 390 ASP 54 H 0.0067 -0.0156 -0.0084 391 ASP 54 HA 0.0094 -0.0154 -0.0066 392 ASP 54 HB2 0.0013 -0.0172 -0.0111 393 ASP 54 HB3 0.0020 -0.0126 -0.0144 394 SER 55 N 0.0068 -0.0088 -0.0115 395 SER 55 CA 0.0081 -0.0065 -0.0117 396 SER 55 C 0.0063 -0.0028 -0.0111 397 SER 55 O 0.0080 -0.0000 -0.0113 398 SER 55 CB 0.0074 -0.0086 -0.0117 399 SER 55 OG 0.0085 -0.0065 -0.0118 400 SER 55 H 0.0055 -0.0111 -0.0114 401 SER 55 HA 0.0110 -0.0061 -0.0123 402 SER 55 HB2 0.0090 -0.0110 -0.0121 403 SER 55 HB3 0.0046 -0.0094 -0.0111 404 SER 55 HG 0.0065 -0.0050 -0.0112 405 THR 56 N -0.0002 -0.0038 -0.0156 406 THR 56 CA -0.0018 0.0010 -0.0104 407 THR 56 C 0.0062 0.0034 -0.0071 408 THR 56 O 0.0069 0.0083 -0.0016 409 THR 56 CB -0.0064 -0.0004 -0.0124 410 THR 56 OG1 -0.0134 -0.0033 -0.0161 411 THR 56 CG2 -0.0092 0.0046 -0.0070 412 THR 56 H -0.0017 -0.0073 -0.0196 413 THR 56 HA -0.0054 0.0039 -0.0074 414 THR 56 HB -0.0024 -0.0029 -0.0148 415 THR 56 HG1 -0.0114 -0.0070 -0.0201 416 THR 56 HG21 -0.0124 0.0035 -0.0085 417 THR 56 HG22 -0.0131 0.0072 -0.0044 418 THR 56 HG23 -0.0040 0.0067 -0.0041 419 ASN 57 N 0.0049 0.0042 -0.0171 420 ASN 57 CA 0.0085 0.0012 -0.0140 421 ASN 57 C 0.0137 0.0048 -0.0077 422 ASN 57 O 0.0158 0.0066 -0.0050 423 ASN 57 CB 0.0098 -0.0077 -0.0146 424 ASN 57 CG 0.0054 -0.0118 -0.0201 425 ASN 57 OD1 0.0056 -0.0135 -0.0203 426 ASN 57 ND2 0.0014 -0.0134 -0.0247 427 ASN 57 H 0.0045 0.0005 -0.0184 428 ASN 57 HA 0.0064 0.0029 -0.0159 429 ASN 57 HB2 0.0100 -0.0093 -0.0147 430 ASN 57 HB3 0.0137 -0.0096 -0.0109 431 ASN 57 HD21 0.0012 -0.0120 -0.0246 432 ASN 57 HD22 -0.0015 -0.0160 -0.0283 433 LEU 58 N 0.0082 0.0011 -0.0088 434 LEU 58 CA 0.0092 0.0014 -0.0088 435 LEU 58 C 0.0086 0.0025 -0.0080 436 LEU 58 O 0.0095 0.0035 -0.0075 437 LEU 58 CB 0.0093 0.0001 -0.0096 438 LEU 58 CG 0.0101 0.0002 -0.0097 439 LEU 58 CD1 0.0091 0.0006 -0.0093 440 LEU 58 CD2 0.0116 0.0012 -0.0094 441 LEU 58 H 0.0076 0.0002 -0.0092 442 LEU 58 HA 0.0103 0.0017 -0.0088 443 LEU 58 HB2 0.0099 -0.0005 -0.0102 444 LEU 58 HB3 0.0082 -0.0003 -0.0097 445 LEU 58 HG 0.0104 -0.0007 -0.0104 446 LEU 58 HD11 0.0097 0.0007 -0.0094 447 LEU 58 HD12 0.0087 0.0016 -0.0086 448 LEU 58 HD13 0.0081 -0.0001 -0.0095 449 LEU 58 HD21 0.0113 0.0021 -0.0087 450 LEU 58 HD22 0.0121 0.0012 -0.0095 451 LEU 58 HD23 0.0123 0.0008 -0.0098 452 LYS 59 N 0.0118 0.0116 -0.0102 453 LYS 59 CA 0.0076 0.0091 -0.0031 454 LYS 59 C 0.0109 0.0160 0.0057 455 LYS 59 O 0.0104 0.0165 0.0093 456 LYS 59 CB -0.0001 0.0016 0.0007 457 LYS 59 CG -0.0012 0.0025 0.0069 458 LYS 59 CD -0.0089 -0.0054 0.0096 459 LYS 59 CE -0.0137 -0.0086 0.0166 460 LYS 59 NZ -0.0121 -0.0033 0.0267 461 LYS 59 H 0.0101 0.0092 -0.0116 462 LYS 59 HA 0.0077 0.0078 -0.0074 463 LYS 59 HB2 -0.0032 -0.0003 0.0053 464 LYS 59 HB3 -0.0022 -0.0031 -0.0058 465 LYS 59 HG2 0.0020 0.0046 0.0025 466 LYS 59 HG3 0.0005 0.0068 0.0138 467 LYS 59 HD2 -0.0106 -0.0098 0.0026 468 LYS 59 HD3 -0.0093 -0.0047 0.0131 469 LYS 59 HE2 -0.0132 -0.0092 0.0132 470 LYS 59 HE3 -0.0191 -0.0144 0.0177 471 LYS 59 HZ1 -0.0129 -0.0030 0.0304 472 LYS 59 HZ2 -0.0155 -0.0057 0.0312 473 LYS 59 HZ3 -0.0070 0.0024 0.0263 474 THR 60 N 0.0074 0.0132 0.0148 475 THR 60 CA 0.0095 0.0232 0.0225 476 THR 60 C 0.0140 0.0315 0.0136 477 THR 60 O 0.0153 0.0368 0.0172 478 THR 60 CB 0.0106 0.0307 0.0306 479 THR 60 OG1 0.0063 0.0227 0.0389 480 THR 60 CG2 0.0129 0.0412 0.0386 481 THR 60 H 0.0072 0.0127 0.0146 482 THR 60 HA 0.0069 0.0191 0.0287 483 THR 60 HB 0.0131 0.0342 0.0238 484 THR 60 HG1 0.0053 0.0174 0.0339 485 THR 60 HG21 0.0137 0.0462 0.0441 486 THR 60 HG22 0.0104 0.0374 0.0451 487 THR 60 HG23 0.0161 0.0472 0.0325 488 HIS 61 N 0.0124 0.0182 0.0003 489 HIS 61 CA 0.0108 0.0195 -0.0026 490 HIS 61 C 0.0103 0.0166 -0.0050 491 HIS 61 O 0.0093 0.0172 -0.0070 492 HIS 61 CB 0.0098 0.0215 -0.0040 493 HIS 61 CG 0.0082 0.0219 -0.0075 494 HIS 61 ND1 0.0072 0.0239 -0.0088 495 HIS 61 CD2 0.0074 0.0202 -0.0099 496 HIS 61 CE1 0.0059 0.0234 -0.0119 497 HIS 61 NE2 0.0060 0.0213 -0.0125 498 HIS 61 H 0.0126 0.0185 0.0010 499 HIS 61 HA 0.0107 0.0211 -0.0021 500 HIS 61 HB2 0.0098 0.0240 -0.0028 501 HIS 61 HB3 0.0103 0.0203 -0.0035 502 HIS 61 HD1 0.0074 0.0254 -0.0077 503 HIS 61 HD2 0.0079 0.0185 -0.0097 504 HIS 61 HE1 0.0049 0.0243 -0.0138 505 PHE 62 N 0.0076 0.0152 -0.0014 506 PHE 62 CA 0.0076 0.0134 -0.0033 507 PHE 62 C 0.0071 0.0140 -0.0002 508 PHE 62 O 0.0070 0.0125 -0.0011 509 PHE 62 CB 0.0069 0.0087 -0.0048 510 PHE 62 CG 0.0072 0.0077 -0.0075 511 PHE 62 CD1 0.0082 0.0098 -0.0113 512 PHE 62 CD2 0.0063 0.0045 -0.0063 513 PHE 62 CE1 0.0085 0.0088 -0.0138 514 PHE 62 CE2 0.0065 0.0034 -0.0087 515 PHE 62 CZ 0.0076 0.0056 -0.0124 516 PHE 62 H 0.0069 0.0133 0.0002 517 PHE 62 HA 0.0084 0.0154 -0.0061 518 PHE 62 HB2 0.0060 0.0066 -0.0021 519 PHE 62 HB3 0.0071 0.0082 -0.0068 520 PHE 62 HD1 0.0089 0.0123 -0.0123 521 PHE 62 HD2 0.0054 0.0028 -0.0033 522 PHE 62 HE1 0.0094 0.0105 -0.0167 523 PHE 62 HE2 0.0058 0.0009 -0.0076 524 PHE 62 HZ 0.0077 0.0047 -0.0142 525 ARG 63 N 0.0105 0.0238 0.0465 526 ARG 63 CA 0.0118 0.0210 0.0205 527 ARG 63 C -0.0024 0.0096 0.0126 528 ARG 63 O -0.0041 0.0053 -0.0088 529 ARG 63 CB 0.0092 0.0174 0.0081 530 ARG 63 CG 0.0257 0.0299 0.0116 531 ARG 63 CD 0.0226 0.0258 -0.0007 532 ARG 63 NE 0.0208 0.0208 -0.0265 533 ARG 63 CZ 0.0210 0.0187 -0.0423 534 ARG 63 NH1 0.0242 0.0219 -0.0355 535 ARG 63 NH2 0.0185 0.0136 -0.0649 536 ARG 63 H 0.0039 0.0202 0.0543 537 ARG 63 HA 0.0264 0.0309 0.0156 538 ARG 63 HB2 -0.0044 0.0085 0.0152 539 ARG 63 HB3 0.0087 0.0143 -0.0108 540 ARG 63 HG2 0.0393 0.0386 0.0041 541 ARG 63 HG3 0.0265 0.0332 0.0305 542 ARG 63 HD2 0.0349 0.0351 0.0017 543 ARG 63 HD3 0.0093 0.0173 0.0074 544 ARG 63 HE 0.0189 0.0186 -0.0319 545 ARG 63 HH11 0.0265 0.0260 -0.0185 546 ARG 63 HH12 0.0244 0.0204 -0.0471 547 ARG 63 HH21 0.0164 0.0112 -0.0705 548 ARG 63 HH22 0.0185 0.0117 -0.0776 549 SER 64 N 0.0140 0.0198 0.0050 550 SER 64 CA 0.0114 0.0222 -0.0011 551 SER 64 C 0.0067 0.0104 -0.0076 552 SER 64 O 0.0023 0.0080 -0.0162 553 SER 64 CB 0.0087 0.0334 -0.0096 554 SER 64 OG 0.0125 0.0439 -0.0044 555 SER 64 H 0.0127 0.0228 0.0016 556 SER 64 HA 0.0144 0.0241 0.0048 557 SER 64 HB2 0.0051 0.0306 -0.0164 558 SER 64 HB3 0.0074 0.0363 -0.0131 559 SER 64 HG 0.0153 0.0476 0.0004 560 LYS 65 N 0.0102 0.0008 -0.0365 561 LYS 65 CA -0.0012 0.0005 -0.0282 562 LYS 65 C -0.0057 -0.0010 -0.0226 563 LYS 65 O -0.0167 0.0017 -0.0200 564 LYS 65 CB -0.0009 -0.0045 -0.0195 565 LYS 65 CG 0.0101 -0.0122 -0.0130 566 LYS 65 CD 0.0106 -0.0168 -0.0051 567 LYS 65 CE 0.0215 -0.0243 0.0010 568 LYS 65 NZ 0.0226 -0.0288 0.0082 569 LYS 65 H 0.0174 -0.0025 -0.0354 570 LYS 65 HA -0.0080 0.0059 -0.0334 571 LYS 65 HB2 -0.0090 -0.0050 -0.0131 572 LYS 65 HB3 -0.0011 -0.0019 -0.0239 573 LYS 65 HG2 0.0095 -0.0148 -0.0079 574 LYS 65 HG3 0.0184 -0.0119 -0.0192 575 LYS 65 HD2 0.0112 -0.0143 -0.0100 576 LYS 65 HD3 0.0023 -0.0172 0.0011 577 LYS 65 HE2 0.0205 -0.0269 0.0063 578 LYS 65 HE3 0.0297 -0.0238 -0.0054 579 LYS 65 HZ1 0.0149 -0.0293 0.0144 580 LYS 65 HZ2 0.0240 -0.0266 0.0034 581 LYS 65 HZ3 0.0301 -0.0339 0.0124 582 ASP 66 N -0.0102 -0.0025 -0.0354 583 ASP 66 CA -0.0101 -0.0040 -0.0301 584 ASP 66 C -0.0117 -0.0020 -0.0310 585 ASP 66 O -0.0135 -0.0011 -0.0268 586 ASP 66 CB -0.0056 -0.0092 -0.0288 587 ASP 66 CG -0.0053 -0.0110 -0.0227 588 ASP 66 OD1 -0.0057 -0.0118 -0.0181 589 ASP 66 OD2 -0.0047 -0.0118 -0.0225 590 ASP 66 H -0.0075 -0.0047 -0.0380 591 ASP 66 HA -0.0121 -0.0027 -0.0263 592 ASP 66 HB2 -0.0043 -0.0105 -0.0289 593 ASP 66 HB3 -0.0037 -0.0104 -0.0323 594 HIS 67 N -0.0044 0.0042 -0.0253 595 HIS 67 CA -0.0048 0.0064 -0.0221 596 HIS 67 C -0.0022 0.0066 -0.0219 597 HIS 67 O -0.0035 0.0071 -0.0212 598 HIS 67 CB -0.0037 0.0084 -0.0194 599 HIS 67 CG -0.0043 0.0107 -0.0160 600 HIS 67 ND1 -0.0074 0.0112 -0.0153 601 HIS 67 CD2 -0.0031 0.0125 -0.0133 602 HIS 67 CE1 -0.0081 0.0133 -0.0122 603 HIS 67 NE2 -0.0056 0.0142 -0.0109 604 HIS 67 H -0.0034 0.0042 -0.0254 605 HIS 67 HA -0.0078 0.0067 -0.0218 606 HIS 67 HB2 -0.0056 0.0085 -0.0192 607 HIS 67 HB3 -0.0007 0.0083 -0.0195 608 HIS 67 HD1 -0.0089 0.0102 -0.0168 609 HIS 67 HD2 -0.0003 0.0125 -0.0133 610 HIS 67 HE1 -0.0102 0.0143 -0.0108 611 LYS 68 N -0.0024 0.0044 -0.0158 612 LYS 68 CA -0.0035 0.0005 -0.0166 613 LYS 68 C -0.0043 -0.0014 -0.0186 614 LYS 68 O -0.0054 -0.0039 -0.0209 615 LYS 68 CB -0.0033 -0.0016 -0.0129 616 LYS 68 CG -0.0023 0.0005 -0.0107 617 LYS 68 CD -0.0021 -0.0017 -0.0069 618 LYS 68 CE -0.0016 -0.0018 -0.0041 619 LYS 68 NZ -0.0013 -0.0037 -0.0003 620 LYS 68 H -0.0017 0.0051 -0.0131 621 LYS 68 HA -0.0039 0.0006 -0.0186 622 LYS 68 HB2 -0.0029 -0.0018 -0.0110 623 LYS 68 HB3 -0.0041 -0.0045 -0.0135 624 LYS 68 HG2 -0.0025 0.0011 -0.0125 625 LYS 68 HG3 -0.0015 0.0034 -0.0101 626 LYS 68 HD2 -0.0029 -0.0046 -0.0075 627 LYS 68 HD3 -0.0015 -0.0003 -0.0055 628 LYS 68 HE2 -0.0008 0.0011 -0.0037 629 LYS 68 HE3 -0.0022 -0.0034 -0.0054 630 LYS 68 HZ1 -0.0020 -0.0066 -0.0006 631 LYS 68 HZ2 -0.0009 -0.0037 0.0015 632 LYS 68 HZ3 -0.0006 -0.0022 0.0010 633 LYS 69 N -0.0172 0.0022 -0.0213 634 LYS 69 CA -0.0154 0.0053 -0.0107 635 LYS 69 C -0.0092 0.0032 -0.0115 636 LYS 69 O -0.0122 0.0056 -0.0069 637 LYS 69 CB -0.0085 0.0056 -0.0036 638 LYS 69 CG -0.0027 0.0074 0.0068 639 LYS 69 CD 0.0046 0.0068 0.0115 640 LYS 69 CE 0.0118 0.0082 0.0217 641 LYS 69 NZ 0.0189 0.0073 0.0251 642 LYS 69 H -0.0144 0.0011 -0.0222 643 LYS 69 HA -0.0232 0.0087 -0.0072 644 LYS 69 HB2 -0.0138 0.0079 -0.0015 645 LYS 69 HB3 -0.0024 0.0022 -0.0086 646 LYS 69 HG2 0.0021 0.0052 0.0044 647 LYS 69 HG3 -0.0086 0.0110 0.0124 648 LYS 69 HD2 -0.0007 0.0090 0.0134 649 LYS 69 HD3 0.0098 0.0033 0.0053 650 LYS 69 HE2 0.0169 0.0062 0.0201 651 LYS 69 HE3 0.0066 0.0119 0.0282 652 LYS 69 HZ1 0.0243 0.0080 0.0320 653 LYS 69 HZ2 0.0237 0.0037 0.0187 654 LYS 69 HZ3 0.0141 0.0091 0.0265 655 ARG 70 N -0.0086 0.0049 -0.0203 656 ARG 70 CA -0.0064 0.0028 -0.0166 657 ARG 70 C -0.0000 0.0006 -0.0114 658 ARG 70 O 0.0050 0.0004 -0.0096 659 ARG 70 CB -0.0132 -0.0005 -0.0135 660 ARG 70 CG -0.0115 -0.0025 -0.0100 661 ARG 70 CD -0.0089 0.0011 -0.0147 662 ARG 70 NE -0.0069 -0.0006 -0.0115 663 ARG 70 CZ -0.0017 0.0016 -0.0133 664 ARG 70 NH1 0.0021 0.0057 -0.0184 665 ARG 70 NH2 -0.0003 -0.0003 -0.0101 666 ARG 70 H -0.0137 0.0036 -0.0199 667 ARG 70 HA -0.0044 0.0054 -0.0199 668 ARG 70 HB2 -0.0180 0.0009 -0.0171 669 ARG 70 HB3 -0.0147 -0.0032 -0.0099 670 ARG 70 HG2 -0.0165 -0.0047 -0.0081 671 ARG 70 HG3 -0.0070 -0.0042 -0.0061 672 ARG 70 HD2 -0.0039 0.0034 -0.0167 673 ARG 70 HD3 -0.0134 0.0027 -0.0185 674 ARG 70 HE -0.0096 -0.0036 -0.0077 675 ARG 70 HH11 0.0012 0.0072 -0.0210 676 ARG 70 HH12 0.0061 0.0073 -0.0198 677 ARG 70 HH21 -0.0031 -0.0033 -0.0063 678 ARG 70 HH22 0.0036 0.0012 -0.0112 679 LEU 71 N -0.0007 -0.0024 -0.0129 680 LEU 71 CA 0.0004 -0.0012 -0.0115 681 LEU 71 C 0.0019 0.0010 -0.0112 682 LEU 71 O 0.0029 0.0018 -0.0093 683 LEU 71 CB 0.0002 -0.0009 -0.0128 684 LEU 71 CG -0.0012 -0.0030 -0.0132 685 LEU 71 CD1 -0.0012 -0.0025 -0.0143 686 LEU 71 CD2 -0.0016 -0.0045 -0.0107 687 LEU 71 H -0.0013 -0.0027 -0.0145 688 LEU 71 HA 0.0003 -0.0021 -0.0096 689 LEU 71 HB2 0.0004 0.0000 -0.0146 690 LEU 71 HB3 0.0011 0.0000 -0.0117 691 LEU 71 HG -0.0021 -0.0038 -0.0145 692 LEU 71 HD11 -0.0003 -0.0016 -0.0131 693 LEU 71 HD12 -0.0009 -0.0014 -0.0161 694 LEU 71 HD13 -0.0022 -0.0040 -0.0146 695 LEU 71 HD21 -0.0017 -0.0050 -0.0100 696 LEU 71 HD22 -0.0007 -0.0037 -0.0094 697 LEU 71 HD23 -0.0026 -0.0059 -0.0111 698 LYS 72 N 0.0045 0.0069 -0.0102 699 LYS 72 CA -0.0025 -0.0001 -0.0082 700 LYS 72 C -0.0071 -0.0011 -0.0111 701 LYS 72 O -0.0146 -0.0041 -0.0141 702 LYS 72 CB 0.0002 -0.0055 0.0007 703 LYS 72 CG -0.0066 -0.0131 0.0036 704 LYS 72 CD -0.0035 -0.0180 0.0123 705 LYS 72 CE -0.0103 -0.0256 0.0152 706 LYS 72 NZ -0.0073 -0.0304 0.0236 707 LYS 72 H 0.0099 0.0075 -0.0061 708 LYS 72 HA -0.0064 -0.0008 -0.0108 709 LYS 72 HB2 0.0036 -0.0046 0.0027 710 LYS 72 HB3 0.0042 -0.0047 0.0033 711 LYS 72 HG2 -0.0097 -0.0141 0.0021 712 LYS 72 HG3 -0.0109 -0.0139 0.0008 713 LYS 72 HD2 -0.0003 -0.0169 0.0137 714 LYS 72 HD3 0.0007 -0.0172 0.0151 715 LYS 72 HE2 -0.0132 -0.0267 0.0139 716 LYS 72 HE3 -0.0146 -0.0262 0.0122 717 LYS 72 HZ1 -0.0032 -0.0299 0.0267 718 LYS 72 HZ2 -0.0045 -0.0295 0.0250 719 LYS 72 HZ3 -0.0121 -0.0356 0.0255 720 GLN 73 N 0.0117 0.0099 -0.0072 721 GLN 73 CA 0.0145 0.0103 -0.0054 722 GLN 73 C 0.0184 0.0060 0.0052 723 GLN 73 O 0.0256 0.0080 0.0081 724 GLN 73 CB 0.0058 0.0081 -0.0094 725 GLN 73 CG 0.0017 0.0124 -0.0200 726 GLN 73 CD -0.0071 0.0098 -0.0237 727 GLN 73 OE1 -0.0128 0.0038 -0.0186 728 GLN 73 NE2 -0.0084 0.0144 -0.0323 729 GLN 73 H 0.0048 0.0076 -0.0096 730 GLN 73 HA 0.0202 0.0155 -0.0090 731 GLN 73 HB2 0.0001 0.0030 -0.0060 732 GLN 73 HB3 0.0081 0.0083 -0.0078 733 GLN 73 HG2 0.0073 0.0175 -0.0235 734 GLN 73 HG3 -0.0003 0.0123 -0.0217 735 GLN 73 HE21 -0.0036 0.0191 -0.0358 736 GLN 73 HE22 -0.0140 0.0130 -0.0350 737 LEU 74 N 0.0259 0.0149 0.0140 738 LEU 74 CA 0.0335 0.0028 0.0219 739 LEU 74 C 0.0359 0.0073 0.0235 740 LEU 74 O 0.0440 0.0005 0.0314 741 LEU 74 CB 0.0274 -0.0148 0.0181 742 LEU 74 CG 0.0348 -0.0296 0.0260 743 LEU 74 CD1 0.0475 -0.0298 0.0373 744 LEU 74 CD2 0.0272 -0.0461 0.0209 745 LEU 74 H 0.0169 0.0119 0.0064 746 LEU 74 HA 0.0426 0.0033 0.0298 747 LEU 74 HB2 0.0249 -0.0168 0.0161 748 LEU 74 HB3 0.0188 -0.0145 0.0105 749 LEU 74 HG 0.0365 -0.0281 0.0274 750 LEU 74 HD11 0.0525 -0.0404 0.0426 751 LEU 74 HD12 0.0461 -0.0310 0.0361 752 LEU 74 HD13 0.0531 -0.0184 0.0411 753 LEU 74 HD21 0.0253 -0.0478 0.0194 754 LEU 74 HD22 0.0325 -0.0563 0.0265 755 LEU 74 HD23 0.0183 -0.0460 0.0131 756 SER 75 N -0.0055 -0.0003 0.0182 757 SER 75 CA -0.0323 0.0096 0.0071 758 SER 75 C -0.0208 0.0359 -0.0211 759 SER 75 O -0.0431 0.0503 -0.0370 760 SER 75 CB -0.0720 0.0088 0.0075 761 SER 75 OG -0.0987 0.0168 -0.0015 762 SER 75 H 0.0118 -0.0128 0.0318 763 SER 75 HA -0.0310 -0.0023 0.0200 764 SER 75 HB2 -0.0785 -0.0101 0.0277 765 SER 75 HB3 -0.0731 0.0206 -0.0053 766 SER 75 HG -0.1189 0.0051 0.0108 767 VAL 76 N 0.0014 0.0086 -0.0051 768 VAL 76 CA 0.0008 0.0067 -0.0099 769 VAL 76 C -0.0017 0.0119 -0.0146 770 VAL 76 O -0.0025 0.0145 -0.0153 771 VAL 76 CB 0.0016 0.0004 -0.0136 772 VAL 76 CG1 0.0009 -0.0015 -0.0187 773 VAL 76 CG2 0.0040 -0.0050 -0.0091 774 VAL 76 H 0.0021 0.0061 -0.0048 775 VAL 76 HA 0.0015 0.0060 -0.0074 776 VAL 76 HB 0.0009 0.0011 -0.0160 777 VAL 76 HG11 0.0015 -0.0059 -0.0213 778 VAL 76 HG12 0.0016 -0.0021 -0.0164 779 VAL 76 HG13 -0.0008 0.0022 -0.0221 780 VAL 76 HG21 0.0045 -0.0093 -0.0118 781 VAL 76 HG22 0.0044 -0.0036 -0.0057 782 VAL 76 HG23 0.0048 -0.0057 -0.0066 783 GLU 77 N 0.0090 -0.0006 -0.0026 784 GLU 77 CA 0.0085 0.0006 -0.0036 785 GLU 77 C 0.0083 0.0021 -0.0041 786 GLU 77 O 0.0077 0.0019 -0.0050 787 GLU 77 CB 0.0075 -0.0004 -0.0049 788 GLU 77 CG 0.0069 -0.0015 -0.0056 789 GLU 77 CD 0.0060 -0.0023 -0.0069 790 GLU 77 OE1 0.0060 -0.0035 -0.0067 791 GLU 77 OE2 0.0052 -0.0017 -0.0081 792 GLU 77 H 0.0089 -0.0007 -0.0027 793 GLU 77 HA 0.0089 0.0011 -0.0030 794 GLU 77 HB2 0.0071 0.0006 -0.0056 795 GLU 77 HB3 0.0077 -0.0012 -0.0045 796 GLU 77 HG2 0.0073 -0.0025 -0.0048 797 GLU 77 HG3 0.0068 -0.0007 -0.0059 798 PRO 78 N 0.0123 0.0024 0.0079 799 PRO 78 CA 0.0139 -0.0053 0.0083 800 PRO 78 C 0.0211 -0.0060 0.0110 801 PRO 78 O 0.0227 -0.0028 0.0117 802 PRO 78 CB 0.0087 -0.0081 0.0063 803 PRO 78 CG 0.0033 -0.0024 0.0044 804 PRO 78 CD 0.0067 0.0046 0.0059 805 PRO 78 HA 0.0135 -0.0082 0.0081 806 PRO 78 HB2 0.0111 -0.0087 0.0072 807 PRO 78 HB3 0.0068 -0.0132 0.0054 808 PRO 78 HG2 0.0009 -0.0022 0.0035 809 PRO 78 HG3 -0.0005 -0.0035 0.0030 810 PRO 78 HD2 0.0087 0.0071 0.0067 811 PRO 78 HD3 0.0033 0.0083 0.0047 812 TYR 79 N 0.0300 -0.0130 0.0241 813 TYR 79 CA 0.0116 -0.0121 0.0220 814 TYR 79 C 0.0036 -0.0270 0.0188 815 TYR 79 O 0.0017 -0.0407 0.0164 816 TYR 79 CB 0.0058 -0.0102 0.0216 817 TYR 79 CG 0.0116 0.0060 0.0248 818 TYR 79 CD1 0.0270 0.0067 0.0268 819 TYR 79 CD2 0.0016 0.0205 0.0258 820 TYR 79 CE1 0.0323 0.0214 0.0297 821 TYR 79 CE2 0.0069 0.0353 0.0288 822 TYR 79 CZ 0.0223 0.0357 0.0307 823 TYR 79 OH 0.0276 0.0506 0.0336 824 TYR 79 H 0.0353 -0.0046 0.0261 825 TYR 79 HA 0.0076 -0.0011 0.0232 826 TYR 79 HB2 0.0108 -0.0206 0.0206 827 TYR 79 HB3 -0.0078 -0.0102 0.0200 828 TYR 79 HD1 0.0348 -0.0045 0.0260 829 TYR 79 HD2 -0.0104 0.0201 0.0243 830 TYR 79 HE1 0.0444 0.0217 0.0312 831 TYR 79 HE2 -0.0011 0.0464 0.0295 832 TYR 79 HH 0.0257 0.0591 0.0347 833 SER 80 N 0.0012 -0.0160 0.0027 834 SER 80 CA 0.0010 -0.0162 0.0027 835 SER 80 C -0.0040 -0.0159 0.0076 836 SER 80 O -0.0076 -0.0165 0.0106 837 SER 80 CB 0.0057 -0.0110 0.0017 838 SER 80 OG 0.0061 -0.0112 0.0012 839 SER 80 H 0.0019 -0.0122 0.0045 840 SER 80 HA 0.0012 -0.0202 -0.0003 841 SER 80 HB2 0.0091 -0.0112 -0.0016 842 SER 80 HB3 0.0054 -0.0070 0.0048 843 SER 80 HG 0.0076 -0.0140 -0.0021 844 GLN 81 N -0.0200 -0.0212 0.0077 845 GLN 81 CA -0.0194 -0.0211 0.0122 846 GLN 81 C -0.0189 -0.0206 0.0154 847 GLN 81 O -0.0182 -0.0187 0.0141 848 GLN 81 CB -0.0179 -0.0176 0.0127 849 GLN 81 CG -0.0174 -0.0177 0.0173 850 GLN 81 CD -0.0158 -0.0141 0.0180 851 GLN 81 OE1 -0.0145 -0.0106 0.0164 852 GLN 81 NE2 -0.0159 -0.0149 0.0206 853 GLN 81 H -0.0192 -0.0189 0.0055 854 GLN 81 HA -0.0206 -0.0240 0.0131 855 GLN 81 HB2 -0.0182 -0.0177 0.0101 856 GLN 81 HB3 -0.0166 -0.0146 0.0124 857 GLN 81 HG2 -0.0172 -0.0178 0.0199 858 GLN 81 HG3 -0.0186 -0.0206 0.0175 859 GLN 81 HE21 -0.0170 -0.0177 0.0218 860 GLN 81 HE22 -0.0148 -0.0126 0.0212 861 GLU 82 N -0.0200 -0.0129 0.0041 862 GLU 82 CA -0.0190 -0.0150 0.0054 863 GLU 82 C -0.0220 -0.0136 0.0089 864 GLU 82 O -0.0217 -0.0149 0.0104 865 GLU 82 CB -0.0162 -0.0194 0.0066 866 GLU 82 CG -0.0149 -0.0218 0.0079 867 GLU 82 CD -0.0120 -0.0260 0.0088 868 GLU 82 OE1 -0.0125 -0.0277 0.0123 869 GLU 82 OE2 -0.0093 -0.0276 0.0060 870 GLU 82 H -0.0203 -0.0108 0.0014 871 GLU 82 HA -0.0183 -0.0141 0.0025 872 GLU 82 HB2 -0.0142 -0.0201 0.0039 873 GLU 82 HB3 -0.0170 -0.0202 0.0093 874 GLU 82 HG2 -0.0168 -0.0213 0.0107 875 GLU 82 HG3 -0.0141 -0.0210 0.0052 876 GLU 83 N -0.0247 -0.0146 0.0070 877 GLU 83 CA -0.0191 -0.0085 0.0069 878 GLU 83 C -0.0151 -0.0066 0.0091 879 GLU 83 O -0.0140 -0.0016 0.0055 880 GLU 83 CB -0.0154 -0.0088 0.0109 881 GLU 83 CG -0.0093 -0.0027 0.0112 882 GLU 83 CD -0.0063 -0.0031 0.0146 883 GLU 83 OE1 -0.0035 -0.0063 0.0204 884 GLU 83 OE2 -0.0068 -0.0003 0.0114 885 GLU 83 H -0.0244 -0.0183 0.0108 886 GLU 83 HA -0.0205 -0.0048 0.0021 887 GLU 83 HB2 -0.0184 -0.0100 0.0090 888 GLU 83 HB3 -0.0143 -0.0127 0.0157 889 GLU 83 HG2 -0.0061 -0.0018 0.0136 890 GLU 83 HG3 -0.0103 0.0013 0.0064 891 ALA 84 N -0.0140 -0.0092 0.0089 892 ALA 84 CA -0.0051 -0.0068 0.0150 893 ALA 84 C -0.0071 -0.0080 0.0194 894 ALA 84 O -0.0021 -0.0072 0.0270 895 ALA 84 CB -0.0022 -0.0068 0.0235 896 ALA 84 H -0.0194 -0.0117 0.0127 897 ALA 84 HA 0.0008 -0.0039 0.0095 898 ALA 84 HB1 0.0042 -0.0050 0.0280 899 ALA 84 HB2 -0.0084 -0.0097 0.0287 900 ALA 84 HB3 -0.0003 -0.0056 0.0200 901 GLU 85 N 0.0072 -0.0089 0.0129 902 GLU 85 CA -0.0014 -0.0129 0.0179 903 GLU 85 C -0.0133 -0.0094 0.0078 904 GLU 85 O -0.0231 -0.0105 0.0070 905 GLU 85 CB -0.0065 -0.0202 0.0303 906 GLU 85 CG -0.0135 -0.0253 0.0378 907 GLU 85 CD -0.0280 -0.0248 0.0327 908 GLU 85 OE1 -0.0384 -0.0280 0.0357 909 GLU 85 OE2 -0.0294 -0.0213 0.0257 910 GLU 85 H 0.0036 -0.0053 0.0051 911 GLU 85 HA 0.0044 -0.0127 0.0192 912 GLU 85 HB2 0.0023 -0.0218 0.0360 913 GLU 85 HB3 -0.0139 -0.0203 0.0282 914 GLU 85 HG2 -0.0066 -0.0234 0.0364 915 GLU 85 HG3 -0.0131 -0.0303 0.0475 916 ARG 86 N -0.0020 0.0088 -0.0364 917 ARG 86 CA -0.0021 0.0085 -0.0368 918 ARG 86 C -0.0016 0.0085 -0.0367 919 ARG 86 O -0.0010 0.0086 -0.0365 920 ARG 86 CB -0.0021 0.0080 -0.0374 921 ARG 86 CG -0.0015 0.0079 -0.0375 922 ARG 86 CD -0.0007 0.0079 -0.0375 923 ARG 86 NE -0.0002 0.0079 -0.0375 924 ARG 86 CZ 0.0005 0.0079 -0.0374 925 ARG 86 NH1 0.0008 0.0080 -0.0372 926 ARG 86 NH2 0.0009 0.0079 -0.0374 927 ARG 86 H -0.0016 0.0088 -0.0363 928 ARG 86 HA -0.0026 0.0085 -0.0368 929 ARG 86 HB2 -0.0020 0.0078 -0.0377 930 ARG 86 HB3 -0.0026 0.0080 -0.0375 931 ARG 86 HG2 -0.0016 0.0076 -0.0380 932 ARG 86 HG3 -0.0015 0.0081 -0.0372 933 ARG 86 HD2 -0.0007 0.0082 -0.0371 934 ARG 86 HD3 -0.0006 0.0077 -0.0378 935 ARG 86 HE -0.0004 0.0078 -0.0377 936 ARG 86 HH11 0.0005 0.0081 -0.0372 937 ARG 86 HH12 0.0013 0.0081 -0.0371 938 ARG 86 HH21 0.0008 0.0078 -0.0376 939 ARG 86 HH22 0.0015 0.0079 -0.0373 940 ALA 87 N 0.0247 0.0001 -0.0162 941 ALA 87 CA 0.0291 0.0016 0.0024 942 ALA 87 C 0.0384 -0.0090 -0.0279 943 ALA 87 O 0.0272 -0.0036 -0.0284 944 ALA 87 CB -0.0053 0.0219 0.0188 945 ALA 87 H 0.0026 0.0077 -0.0324 946 ALA 87 HA 0.0500 -0.0040 0.0255 947 ALA 87 HB1 -0.0263 0.0276 -0.0042 948 ALA 87 HB2 -0.0116 0.0293 0.0401 949 ALA 87 HB3 -0.0024 0.0231 0.0319 950 ALA 88 N 0.0399 0.0248 -0.0355 951 ALA 88 CA 0.0345 0.0157 -0.0077 952 ALA 88 C 0.0051 0.0184 -0.0063 953 ALA 88 O -0.0184 0.0183 0.0012 954 ALA 88 CB 0.0351 0.0080 0.0139 955 ALA 88 H 0.0238 0.0297 -0.0445 956 ALA 88 HA 0.0519 0.0122 -0.0033 957 ALA 88 HB1 0.0176 0.0113 0.0100 958 ALA 88 HB2 0.0564 0.0062 0.0124 959 ALA 88 HB3 0.0316 0.0011 0.0348 960 GLY 89 N -0.0066 0.0042 0.0615 961 GLY 89 CA 0.0277 -0.0249 0.0693 962 GLY 89 C 0.0203 -0.0267 0.1035 963 GLY 89 O -0.0004 -0.0084 0.0952 964 GLY 89 H -0.0296 0.0175 0.0836 965 GLY 89 HA2 0.0415 -0.0285 0.0364 966 GLY 89 HA3 0.0455 -0.0422 0.0831 967 MET 90 N -0.0122 0.0269 -0.0098 968 MET 90 CA -0.0084 0.0269 -0.0045 969 MET 90 C -0.0046 0.0220 -0.0064 970 MET 90 O -0.0058 0.0217 -0.0085 971 MET 90 CB -0.0113 0.0319 -0.0012 972 MET 90 CG -0.0077 0.0328 0.0052 973 MET 90 SD -0.0026 0.0280 0.0052 974 MET 90 CE 0.0001 0.0307 0.0131 975 MET 90 H -0.0121 0.0269 -0.0097 976 MET 90 HA -0.0060 0.0267 -0.0014 977 MET 90 HB2 -0.0143 0.0352 -0.0005 978 MET 90 HB3 -0.0132 0.0317 -0.0041 979 MET 90 HG2 -0.0058 0.0329 0.0081 980 MET 90 HG3 -0.0103 0.0365 0.0071 981 MET 90 HE1 0.0017 0.0312 0.0159 982 MET 90 HE2 0.0033 0.0282 0.0138 983 MET 90 HE3 -0.0030 0.0344 0.0142 984 GLY 91 N 0.0193 0.0111 0.0186 985 GLY 91 CA 0.0184 0.0099 0.0208 986 GLY 91 C 0.0181 0.0107 0.0194 987 GLY 91 O 0.0152 0.0110 0.0192 988 GLY 91 H 0.0178 0.0123 0.0169 989 GLY 91 HA2 0.0203 0.0087 0.0226 990 GLY 91 HA3 0.0158 0.0094 0.0218 991 SER 92 N 0.0103 0.0003 0.0025 992 SER 92 CA 0.0200 0.0091 -0.0037 993 SER 92 C 0.0262 0.0027 -0.0188 994 SER 92 O 0.0227 -0.0082 -0.0240 995 SER 92 CB 0.0181 0.0121 0.0021 996 SER 92 OG 0.0122 0.0180 0.0163 997 SER 92 H 0.0051 -0.0086 0.0018 998 SER 92 HA 0.0245 0.0185 -0.0013 999 SER 92 HB2 0.0136 0.0027 -0.0002 1000 SER 92 HB3 0.0254 0.0192 -0.0022 1001 SER 92 HG 0.0098 0.0167 0.0188 1002 TYR 93 N -0.0132 0.0104 -0.0178 1003 TYR 93 CA -0.0074 0.0065 -0.0139 1004 TYR 93 C -0.0027 0.0083 -0.0113 1005 TYR 93 O -0.0049 0.0109 -0.0129 1006 TYR 93 CB -0.0092 -0.0022 -0.0140 1007 TYR 93 CG -0.0037 -0.0070 -0.0102 1008 TYR 93 CD1 -0.0028 -0.0084 -0.0095 1009 TYR 93 CD2 0.0004 -0.0102 -0.0074 1010 TYR 93 CE1 0.0021 -0.0128 -0.0061 1011 TYR 93 CE2 0.0054 -0.0146 -0.0040 1012 TYR 93 CZ 0.0062 -0.0159 -0.0033 1013 TYR 93 OH 0.0112 -0.0202 0.0001 1014 TYR 93 H -0.0159 0.0088 -0.0192 1015 TYR 93 HA -0.0053 0.0084 -0.0128 1016 TYR 93 HB2 -0.0132 -0.0032 -0.0163 1017 TYR 93 HB3 -0.0107 -0.0041 -0.0147 1018 TYR 93 HD1 -0.0060 -0.0060 -0.0117 1019 TYR 93 HD2 -0.0002 -0.0092 -0.0079 1020 TYR 93 HE1 0.0028 -0.0138 -0.0056 1021 TYR 93 HE2 0.0086 -0.0170 -0.0018 1022 TYR 93 HH 0.0152 -0.0183 0.0023 1023 VAL 94 N -0.0379 -0.0181 0.0036 1024 VAL 94 CA -0.0264 -0.0097 0.0023 1025 VAL 94 C -0.0249 -0.0075 0.0024 1026 VAL 94 O -0.0221 -0.0170 -0.0000 1027 VAL 94 CB -0.0135 -0.0146 -0.0017 1028 VAL 94 CG1 -0.0107 -0.0287 -0.0049 1029 VAL 94 CG2 -0.0019 -0.0052 -0.0028 1030 VAL 94 H -0.0367 -0.0265 0.0018 1031 VAL 94 HA -0.0284 -0.0001 0.0046 1032 VAL 94 HB -0.0149 -0.0146 -0.0013 1033 VAL 94 HG11 -0.0018 -0.0316 -0.0076 1034 VAL 94 HG12 -0.0096 -0.0292 -0.0053 1035 VAL 94 HG13 -0.0187 -0.0353 -0.0042 1036 VAL 94 HG21 -0.0006 -0.0047 -0.0030 1037 VAL 94 HG22 0.0068 -0.0088 -0.0055 1038 VAL 94 HG23 -0.0037 0.0045 -0.0006