1 ASP 28 N 0.0109 -0.0035 -0.0193 2 ASP 28 CA 0.0083 -0.0012 -0.0128 3 ASP 28 C 0.0010 -0.0079 -0.0071 4 ASP 28 O -0.0022 -0.0098 -0.0038 5 ASP 28 CB 0.0104 0.0085 -0.0069 6 ASP 28 CG 0.0079 0.0115 -0.0000 7 ASP 28 OD1 0.0101 0.0125 -0.0027 8 ASP 28 OD2 0.0041 0.0134 0.0080 9 ASP 28 H 0.0160 0.0010 -0.0232 10 ASP 28 HA 0.0103 -0.0016 -0.0164 11 ASP 28 HB2 0.0156 0.0132 -0.0111 12 ASP 28 HB3 0.0085 0.0089 -0.0034 13 PRO 29 N -0.0012 -0.0026 -0.0347 14 PRO 29 CA -0.0135 -0.0181 -0.0210 15 PRO 29 C -0.0132 -0.0166 0.0081 16 PRO 29 O -0.0006 0.0002 0.0197 17 PRO 29 CB -0.0095 -0.0131 -0.0269 18 PRO 29 CG 0.0015 0.0004 -0.0499 19 PRO 29 CD 0.0101 0.0117 -0.0487 20 PRO 29 HA -0.0250 -0.0334 -0.0280 21 PRO 29 HB2 -0.0043 -0.0057 -0.0100 22 PRO 29 HB3 -0.0203 -0.0273 -0.0309 23 PRO 29 HG2 0.0097 0.0111 -0.0490 24 PRO 29 HG3 -0.0051 -0.0089 -0.0675 25 PRO 29 HD2 0.0209 0.0261 -0.0382 26 PRO 29 HD3 0.0126 0.0142 -0.0682 27 ASN 30 N -0.0110 -0.0326 0.0180 28 ASN 30 CA -0.0172 -0.0280 0.0313 29 ASN 30 C -0.0144 -0.0090 0.0282 30 ASN 30 O -0.0169 0.0062 0.0356 31 ASN 30 CB -0.0260 -0.0284 0.0493 32 ASN 30 CG -0.0330 -0.0234 0.0644 33 ASN 30 OD1 -0.0372 -0.0359 0.0713 34 ASN 30 ND2 -0.0345 -0.0055 0.0700 35 ASN 30 H -0.0092 -0.0453 0.0125 36 ASN 30 HA -0.0176 -0.0393 0.0305 37 ASN 30 HB2 -0.0277 -0.0428 0.0509 38 ASN 30 HB3 -0.0249 -0.0185 0.0485 39 ASN 30 HD21 -0.0310 0.0039 0.0642 40 ASN 30 HD22 -0.0389 -0.0020 0.0796 41 ALA 31 N -0.0076 0.0030 0.0187 42 ALA 31 CA -0.0060 0.0105 0.0171 43 ALA 31 C 0.0000 0.0145 0.0154 44 ALA 31 O 0.0070 0.0134 0.0145 45 ALA 31 CB -0.0034 0.0101 0.0167 46 ALA 31 H -0.0040 0.0008 0.0185 47 ALA 31 HA -0.0113 0.0140 0.0173 48 ALA 31 HB1 -0.0025 0.0158 0.0156 49 ALA 31 HB2 0.0020 0.0067 0.0165 50 ALA 31 HB3 -0.0077 0.0073 0.0179 51 GLU 32 N 0.0026 0.0388 0.0171 52 GLU 32 CA 0.0088 0.0478 0.0182 53 GLU 32 C 0.0036 0.0409 0.0138 54 GLU 32 O 0.0068 0.0451 0.0169 55 GLU 32 CB 0.0155 0.0601 0.0073 56 GLU 32 CG 0.0116 0.0578 -0.0101 57 GLU 32 CD 0.0187 0.0705 -0.0203 58 GLU 32 OE1 0.0221 0.0766 -0.0253 59 GLU 32 OE2 0.0211 0.0747 -0.0232 60 GLU 32 H 0.0020 0.0398 0.0074 61 GLU 32 HA 0.0121 0.0504 0.0302 62 GLU 32 HB2 0.0201 0.0666 0.0087 63 GLU 32 HB3 0.0191 0.0646 0.0109 64 GLU 32 HG2 0.0072 0.0515 -0.0118 65 GLU 32 HG3 0.0078 0.0529 -0.0138 66 PHE 33 N 0.0007 0.0282 0.0031 67 PHE 33 CA -0.0028 0.0271 -0.0004 68 PHE 33 C -0.0056 0.0207 0.0048 69 PHE 33 O -0.0055 0.0168 0.0104 70 PHE 33 CB -0.0084 0.0269 -0.0080 71 PHE 33 CG -0.0128 0.0221 -0.0074 72 PHE 33 CD1 -0.0179 0.0156 -0.0054 73 PHE 33 CD2 -0.0117 0.0242 -0.0087 74 PHE 33 CE1 -0.0219 0.0113 -0.0048 75 PHE 33 CE2 -0.0155 0.0199 -0.0081 76 PHE 33 CZ -0.0206 0.0134 -0.0061 77 PHE 33 H -0.0015 0.0258 0.0033 78 PHE 33 HA 0.0004 0.0311 -0.0014 79 PHE 33 HB2 -0.0115 0.0255 -0.0102 80 PHE 33 HB3 -0.0064 0.0317 -0.0119 81 PHE 33 HD1 -0.0189 0.0139 -0.0043 82 PHE 33 HD2 -0.0077 0.0293 -0.0103 83 PHE 33 HE1 -0.0258 0.0062 -0.0032 84 PHE 33 HE2 -0.0146 0.0216 -0.0091 85 PHE 33 HZ -0.0237 0.0100 -0.0056 86 ASP 34 N -0.0094 0.0141 0.0043 87 ASP 34 CA -0.0126 0.0099 0.0075 88 ASP 34 C -0.0132 0.0052 0.0032 89 ASP 34 O -0.0123 0.0035 -0.0015 90 ASP 34 CB -0.0150 0.0075 0.0108 91 ASP 34 CG -0.0183 0.0035 0.0147 92 ASP 34 OD1 -0.0198 -0.0012 0.0126 93 ASP 34 OD2 -0.0195 0.0052 0.0201 94 ASP 34 H -0.0089 0.0133 0.0021 95 ASP 34 HA -0.0128 0.0117 0.0106 96 ASP 34 HB2 -0.0143 0.0109 0.0134 97 ASP 34 HB3 -0.0149 0.0053 0.0077 98 PRO 35 N -0.0115 0.0061 0.0041 99 PRO 35 CA -0.0115 0.0017 0.0002 100 PRO 35 C -0.0140 -0.0045 0.0010 101 PRO 35 O -0.0142 -0.0085 -0.0020 102 PRO 35 CB -0.0115 0.0028 0.0013 103 PRO 35 CG -0.0133 0.0048 0.0074 104 PRO 35 CD -0.0127 0.0081 0.0089 105 PRO 35 HA -0.0096 0.0023 -0.0041 106 PRO 35 HB2 -0.0124 -0.0011 0.0001 107 PRO 35 HB3 -0.0094 0.0061 -0.0011 108 PRO 35 HG2 -0.0155 0.0011 0.0097 109 PRO 35 HG3 -0.0127 0.0074 0.0084 110 PRO 35 HD2 -0.0146 0.0072 0.0128 111 PRO 35 HD3 -0.0112 0.0126 0.0090 112 ASP 36 N -0.0188 -0.0093 0.0054 113 ASP 36 CA -0.0228 -0.0178 0.0063 114 ASP 36 C -0.0220 -0.0196 0.0022 115 ASP 36 O -0.0236 -0.0268 -0.0013 116 ASP 36 CB -0.0271 -0.0190 0.0157 117 ASP 36 CG -0.0313 -0.0277 0.0170 118 ASP 36 OD1 -0.0333 -0.0338 0.0154 119 ASP 36 OD2 -0.0328 -0.0285 0.0199 120 ASP 36 H -0.0182 -0.0044 0.0092 121 ASP 36 HA -0.0234 -0.0222 0.0031 122 ASP 36 HB2 -0.0277 -0.0181 0.0183 123 ASP 36 HB3 -0.0264 -0.0143 0.0190 124 LEU 37 N -0.0177 -0.0098 0.0020 125 LEU 37 CA -0.0167 -0.0101 -0.0013 126 LEU 37 C -0.0143 -0.0095 -0.0065 127 LEU 37 O -0.0117 -0.0068 -0.0069 128 LEU 37 CB -0.0150 -0.0071 0.0010 129 LEU 37 CG -0.0175 -0.0081 0.0054 130 LEU 37 CD1 -0.0204 -0.0122 0.0038 131 LEU 37 CD2 -0.0190 -0.0079 0.0101 132 LEU 37 H -0.0162 -0.0072 0.0040 133 LEU 37 HA -0.0192 -0.0131 -0.0017 134 LEU 37 HB2 -0.0130 -0.0042 0.0023 135 LEU 37 HB3 -0.0136 -0.0069 -0.0020 136 LEU 37 HG -0.0158 -0.0059 0.0063 137 LEU 37 HD11 -0.0220 -0.0128 0.0069 138 LEU 37 HD12 -0.0220 -0.0145 0.0027 139 LEU 37 HD13 -0.0192 -0.0122 0.0006 140 LEU 37 HD21 -0.0208 -0.0087 0.0130 141 LEU 37 HD22 -0.0169 -0.0049 0.0113 142 LEU 37 HD23 -0.0206 -0.0101 0.0092 143 PRO 38 N -0.0128 -0.0113 -0.0071 144 PRO 38 CA -0.0105 -0.0115 -0.0105 145 PRO 38 C -0.0082 -0.0090 -0.0110 146 PRO 38 O -0.0085 -0.0085 -0.0100 147 PRO 38 CB -0.0116 -0.0148 -0.0123 148 PRO 38 CG -0.0146 -0.0166 -0.0101 149 PRO 38 CD -0.0152 -0.0143 -0.0068 150 PRO 38 HA -0.0098 -0.0114 -0.0112 151 PRO 38 HB2 -0.0110 -0.0146 -0.0129 152 PRO 38 HB3 -0.0109 -0.0159 -0.0145 153 PRO 38 HG2 -0.0156 -0.0184 -0.0106 154 PRO 38 HG3 -0.0152 -0.0178 -0.0104 155 PRO 38 HD2 -0.0156 -0.0140 -0.0060 156 PRO 38 HD3 -0.0169 -0.0149 -0.0051 157 GLY 39 N -0.0056 -0.0081 -0.0147 158 GLY 39 CA -0.0046 -0.0058 -0.0151 159 GLY 39 C -0.0053 -0.0030 -0.0133 160 GLY 39 O -0.0052 -0.0013 -0.0128 161 GLY 39 H -0.0049 -0.0084 -0.0157 162 GLY 39 HA2 -0.0030 -0.0053 -0.0169 163 GLY 39 HA3 -0.0049 -0.0067 -0.0151 164 GLY 40 N -0.0074 0.0002 -0.0114 165 GLY 40 CA -0.0080 0.0037 -0.0080 166 GLY 40 C -0.0101 0.0038 -0.0047 167 GLY 40 O -0.0105 0.0068 -0.0017 168 GLY 40 H -0.0082 -0.0022 -0.0119 169 GLY 40 HA2 -0.0088 0.0035 -0.0068 170 GLY 40 HA3 -0.0059 0.0067 -0.0089 171 GLY 41 N -0.0086 -0.0028 -0.0056 172 GLY 41 CA -0.0100 -0.0032 -0.0045 173 GLY 41 C -0.0080 -0.0016 -0.0051 174 GLY 41 O -0.0088 -0.0014 -0.0040 175 GLY 41 H -0.0086 -0.0044 -0.0073 176 GLY 41 HA2 -0.0113 -0.0054 -0.0054 177 GLY 41 HA3 -0.0114 -0.0024 -0.0021 178 LEU 42 N -0.0098 -0.0025 -0.0083 179 LEU 42 CA -0.0082 -0.0007 -0.0088 180 LEU 42 C -0.0070 -0.0053 -0.0107 181 LEU 42 O -0.0062 -0.0047 -0.0110 182 LEU 42 CB -0.0038 0.0034 -0.0104 183 LEU 42 CG -0.0044 0.0084 -0.0088 184 LEU 42 CD1 0.0002 0.0121 -0.0106 185 LEU 42 CD2 -0.0084 0.0114 -0.0057 186 LEU 42 H -0.0073 -0.0027 -0.0098 187 LEU 42 HA -0.0110 0.0012 -0.0067 188 LEU 42 HB2 -0.0011 0.0014 -0.0125 189 LEU 42 HB3 -0.0027 0.0046 -0.0107 190 LEU 42 HG -0.0054 0.0072 -0.0085 191 LEU 42 HD11 -0.0003 0.0156 -0.0094 192 LEU 42 HD12 0.0014 0.0133 -0.0110 193 LEU 42 HD13 0.0029 0.0100 -0.0127 194 LEU 42 HD21 -0.0075 0.0126 -0.0060 195 LEU 42 HD22 -0.0087 0.0150 -0.0047 196 LEU 42 HD23 -0.0117 0.0089 -0.0044 197 HIS 43 N -0.0071 -0.0062 -0.0126 198 HIS 43 CA -0.0069 -0.0073 -0.0114 199 HIS 43 C -0.0068 -0.0081 -0.0105 200 HIS 43 O -0.0056 -0.0084 -0.0106 201 HIS 43 CB -0.0054 -0.0076 -0.0115 202 HIS 43 CG -0.0053 -0.0068 -0.0124 203 HIS 43 ND1 -0.0060 -0.0068 -0.0123 204 HIS 43 CD2 -0.0045 -0.0059 -0.0136 205 HIS 43 CE1 -0.0057 -0.0060 -0.0132 206 HIS 43 NE2 -0.0047 -0.0055 -0.0141 207 HIS 43 H -0.0063 -0.0061 -0.0129 208 HIS 43 HA -0.0079 -0.0073 -0.0111 209 HIS 43 HB2 -0.0044 -0.0077 -0.0116 210 HIS 43 HB3 -0.0055 -0.0084 -0.0106 211 HIS 43 HD1 -0.0067 -0.0072 -0.0115 212 HIS 43 HD2 -0.0038 -0.0057 -0.0141 213 HIS 43 HE1 -0.0060 -0.0058 -0.0133 214 HIS 43 HE2 -0.0045 -0.0047 -0.0149 215 ARG 44 N -0.0033 -0.0066 -0.0099 216 ARG 44 CA -0.0047 -0.0069 -0.0108 217 ARG 44 C -0.0042 -0.0077 -0.0123 218 ARG 44 O -0.0028 -0.0079 -0.0126 219 ARG 44 CB -0.0053 -0.0066 -0.0101 220 ARG 44 CG -0.0055 -0.0058 -0.0084 221 ARG 44 CD -0.0059 -0.0055 -0.0078 222 ARG 44 NE -0.0060 -0.0048 -0.0062 223 ARG 44 CZ -0.0065 -0.0044 -0.0054 224 ARG 44 NH1 -0.0070 -0.0047 -0.0062 225 ARG 44 NH2 -0.0066 -0.0037 -0.0039 226 ARG 44 H -0.0022 -0.0067 -0.0098 227 ARG 44 HA -0.0057 -0.0069 -0.0108 228 ARG 44 HB2 -0.0045 -0.0068 -0.0104 229 ARG 44 HB3 -0.0065 -0.0068 -0.0106 230 ARG 44 HG2 -0.0065 -0.0056 -0.0080 231 ARG 44 HG3 -0.0043 -0.0056 -0.0079 232 ARG 44 HD2 -0.0050 -0.0058 -0.0082 233 ARG 44 HD3 -0.0071 -0.0057 -0.0083 234 ARG 44 HE -0.0056 -0.0045 -0.0056 235 ARG 44 HH11 -0.0070 -0.0053 -0.0074 236 ARG 44 HH12 -0.0074 -0.0045 -0.0057 237 ARG 44 HH21 -0.0063 -0.0034 -0.0033 238 ARG 44 HH22 -0.0070 -0.0034 -0.0034 239 CYS 45 N -0.0022 -0.0055 -0.0101 240 CYS 45 CA -0.0019 -0.0049 -0.0098 241 CYS 45 C -0.0005 -0.0048 -0.0115 242 CYS 45 O 0.0007 -0.0038 -0.0120 243 CYS 45 CB -0.0018 -0.0030 -0.0083 244 CYS 45 SG -0.0012 -0.0020 -0.0081 245 CYS 45 H -0.0016 -0.0048 -0.0101 246 CYS 45 HA -0.0029 -0.0059 -0.0095 247 CYS 45 HB2 -0.0029 -0.0032 -0.0071 248 CYS 45 HB3 -0.0010 -0.0021 -0.0084 249 LEU 46 N -0.0013 -0.0049 -0.0128 250 LEU 46 CA 0.0008 -0.0052 -0.0151 251 LEU 46 C 0.0027 -0.0026 -0.0150 252 LEU 46 O 0.0048 -0.0020 -0.0166 253 LEU 46 CB 0.0001 -0.0073 -0.0160 254 LEU 46 CG -0.0017 -0.0100 -0.0164 255 LEU 46 CD1 -0.0024 -0.0119 -0.0172 256 LEU 46 CD2 -0.0008 -0.0111 -0.0181 257 LEU 46 H -0.0028 -0.0058 -0.0120 258 LEU 46 HA 0.0014 -0.0058 -0.0163 259 LEU 46 HB2 -0.0006 -0.0067 -0.0149 260 LEU 46 HB3 0.0016 -0.0075 -0.0177 261 LEU 46 HG -0.0032 -0.0098 -0.0147 262 LEU 46 HD11 -0.0033 -0.0112 -0.0158 263 LEU 46 HD12 -0.0037 -0.0138 -0.0175 264 LEU 46 HD13 -0.0009 -0.0120 -0.0188 265 LEU 46 HD21 -0.0005 -0.0098 -0.0175 266 LEU 46 HD22 0.0008 -0.0112 -0.0198 267 LEU 46 HD23 -0.0021 -0.0130 -0.0184 268 ALA 47 N 0.0035 0.0004 -0.0112 269 ALA 47 CA 0.0053 0.0025 -0.0101 270 ALA 47 C 0.0071 0.0038 -0.0100 271 ALA 47 O 0.0092 0.0055 -0.0096 272 ALA 47 CB 0.0038 0.0036 -0.0077 273 ALA 47 H 0.0017 -0.0001 -0.0103 274 ALA 47 HA 0.0065 0.0024 -0.0112 275 ALA 47 HB1 0.0052 0.0052 -0.0069 276 ALA 47 HB2 0.0027 0.0038 -0.0066 277 ALA 47 HB3 0.0026 0.0027 -0.0078 278 CYS 48 N 0.0035 0.0001 -0.0116 279 CYS 48 CA 0.0037 0.0015 -0.0113 280 CYS 48 C 0.0041 0.0010 -0.0120 281 CYS 48 O 0.0044 0.0021 -0.0121 282 CYS 48 CB 0.0027 0.0022 -0.0097 283 CYS 48 SG 0.0024 0.0032 -0.0089 284 CYS 48 H 0.0030 -0.0010 -0.0112 285 CYS 48 HA 0.0044 0.0026 -0.0118 286 CYS 48 HB2 0.0019 0.0013 -0.0089 287 CYS 48 HB3 0.0028 0.0032 -0.0095 288 ALA 49 N -0.0004 -0.0005 -0.0142 289 ALA 49 CA -0.0002 -0.0022 -0.0133 290 ALA 49 C -0.0026 -0.0022 -0.0116 291 ALA 49 O -0.0029 -0.0028 -0.0110 292 ALA 49 CB 0.0010 -0.0015 -0.0146 293 ALA 49 H 0.0004 -0.0012 -0.0143 294 ALA 49 HA 0.0006 -0.0040 -0.0130 295 ALA 49 HB1 0.0002 0.0002 -0.0150 296 ALA 49 HB2 0.0027 -0.0016 -0.0158 297 ALA 49 HB3 0.0012 -0.0028 -0.0140 298 ARG 50 N -0.0013 -0.0040 -0.0121 299 ARG 50 CA -0.0027 -0.0036 -0.0107 300 ARG 50 C -0.0044 -0.0059 -0.0099 301 ARG 50 O -0.0051 -0.0070 -0.0096 302 ARG 50 CB -0.0035 -0.0011 -0.0092 303 ARG 50 CG -0.0019 0.0014 -0.0099 304 ARG 50 CD -0.0027 0.0037 -0.0084 305 ARG 50 NE -0.0012 0.0061 -0.0090 306 ARG 50 CZ -0.0016 0.0085 -0.0079 307 ARG 50 NH1 -0.0034 0.0088 -0.0061 308 ARG 50 NH2 -0.0001 0.0105 -0.0086 309 ARG 50 H -0.0017 -0.0038 -0.0117 310 ARG 50 HA -0.0019 -0.0035 -0.0114 311 ARG 50 HB2 -0.0042 -0.0012 -0.0086 312 ARG 50 HB3 -0.0045 -0.0010 -0.0082 313 ARG 50 HG2 -0.0011 0.0015 -0.0106 314 ARG 50 HG3 -0.0008 0.0013 -0.0109 315 ARG 50 HD2 -0.0035 0.0036 -0.0077 316 ARG 50 HD3 -0.0038 0.0038 -0.0074 317 ARG 50 HE 0.0002 0.0059 -0.0103 318 ARG 50 HH11 -0.0046 0.0073 -0.0055 319 ARG 50 HH12 -0.0037 0.0105 -0.0053 320 ARG 50 HH21 0.0014 0.0104 -0.0100 321 ARG 50 HH22 -0.0003 0.0123 -0.0078 322 TYR 51 N -0.0087 -0.0092 -0.0092 323 TYR 51 CA -0.0083 -0.0086 -0.0095 324 TYR 51 C -0.0082 -0.0089 -0.0106 325 TYR 51 O -0.0086 -0.0097 -0.0109 326 TYR 51 CB -0.0085 -0.0087 -0.0087 327 TYR 51 CG -0.0087 -0.0085 -0.0076 328 TYR 51 CD1 -0.0092 -0.0092 -0.0070 329 TYR 51 CD2 -0.0083 -0.0076 -0.0070 330 TYR 51 CE1 -0.0093 -0.0091 -0.0059 331 TYR 51 CE2 -0.0084 -0.0074 -0.0060 332 TYR 51 CZ -0.0089 -0.0082 -0.0054 333 TYR 51 OH -0.0090 -0.0080 -0.0044 334 TYR 51 H -0.0091 -0.0098 -0.0091 335 TYR 51 HA -0.0079 -0.0079 -0.0094 336 TYR 51 HB2 -0.0089 -0.0094 -0.0088 337 TYR 51 HB3 -0.0082 -0.0082 -0.0089 338 TYR 51 HD1 -0.0095 -0.0099 -0.0074 339 TYR 51 HD2 -0.0078 -0.0070 -0.0074 340 TYR 51 HE1 -0.0097 -0.0096 -0.0055 341 TYR 51 HE2 -0.0081 -0.0067 -0.0056 342 TYR 51 HH -0.0094 -0.0085 -0.0040 343 PHE 52 N -0.0020 -0.0084 -0.0114 344 PHE 52 CA -0.0028 -0.0080 -0.0103 345 PHE 52 C -0.0042 -0.0091 -0.0117 346 PHE 52 O -0.0054 -0.0101 -0.0130 347 PHE 52 CB -0.0044 -0.0073 -0.0082 348 PHE 52 CG -0.0031 -0.0061 -0.0066 349 PHE 52 CD1 -0.0029 -0.0062 -0.0068 350 PHE 52 CD2 -0.0022 -0.0050 -0.0049 351 PHE 52 CE1 -0.0018 -0.0052 -0.0054 352 PHE 52 CE2 -0.0010 -0.0039 -0.0034 353 PHE 52 CZ -0.0008 -0.0040 -0.0037 354 PHE 52 H -0.0031 -0.0089 -0.0118 355 PHE 52 HA -0.0013 -0.0074 -0.0099 356 PHE 52 HB2 -0.0059 -0.0079 -0.0086 357 PHE 52 HB3 -0.0050 -0.0070 -0.0073 358 PHE 52 HD1 -0.0037 -0.0071 -0.0082 359 PHE 52 HD2 -0.0023 -0.0049 -0.0046 360 PHE 52 HE1 -0.0016 -0.0053 -0.0056 361 PHE 52 HE2 -0.0003 -0.0030 -0.0021 362 PHE 52 HZ 0.0001 -0.0032 -0.0026 363 ILE 53 N -0.0020 -0.0122 -0.0124 364 ILE 53 CA -0.0015 -0.0108 -0.0153 365 ILE 53 C -0.0030 -0.0089 -0.0161 366 ILE 53 O -0.0035 -0.0071 -0.0181 367 ILE 53 CB 0.0011 -0.0123 -0.0169 368 ILE 53 CG1 0.0018 -0.0135 -0.0159 369 ILE 53 CG2 0.0027 -0.0139 -0.0166 370 ILE 53 CD1 0.0043 -0.0149 -0.0174 371 ILE 53 H -0.0007 -0.0137 -0.0118 372 ILE 53 HA -0.0018 -0.0101 -0.0159 373 ILE 53 HB 0.0014 -0.0111 -0.0190 374 ILE 53 HG12 0.0015 -0.0146 -0.0138 375 ILE 53 HG13 0.0007 -0.0123 -0.0162 376 ILE 53 HG21 0.0024 -0.0150 -0.0145 377 ILE 53 HG22 0.0023 -0.0130 -0.0174 378 ILE 53 HG23 0.0045 -0.0149 -0.0177 379 ILE 53 HD11 0.0046 -0.0139 -0.0195 380 ILE 53 HD12 0.0047 -0.0158 -0.0166 381 ILE 53 HD13 0.0055 -0.0162 -0.0171 382 ASP 54 N -0.0024 -0.0091 -0.0135 383 ASP 54 CA -0.0050 -0.0089 -0.0134 384 ASP 54 C -0.0066 -0.0088 -0.0109 385 ASP 54 O -0.0053 -0.0088 -0.0089 386 ASP 54 CB -0.0047 -0.0090 -0.0132 387 ASP 54 CG -0.0074 -0.0088 -0.0132 388 ASP 54 OD1 -0.0085 -0.0087 -0.0155 389 ASP 54 OD2 -0.0084 -0.0086 -0.0110 390 ASP 54 H -0.0014 -0.0092 -0.0118 391 ASP 54 HA -0.0062 -0.0089 -0.0152 392 ASP 54 HB2 -0.0035 -0.0091 -0.0149 393 ASP 54 HB3 -0.0036 -0.0090 -0.0113 394 SER 55 N -0.0070 -0.0095 -0.0088 395 SER 55 CA -0.0091 -0.0104 -0.0069 396 SER 55 C -0.0083 -0.0104 -0.0033 397 SER 55 O -0.0086 -0.0106 -0.0016 398 SER 55 CB -0.0124 -0.0116 -0.0078 399 SER 55 OG -0.0145 -0.0126 -0.0059 400 SER 55 H -0.0079 -0.0097 -0.0101 401 SER 55 HA -0.0088 -0.0102 -0.0076 402 SER 55 HB2 -0.0128 -0.0116 -0.0103 403 SER 55 HB3 -0.0127 -0.0118 -0.0074 404 SER 55 HG -0.0148 -0.0129 -0.0040 405 THR 56 N -0.0108 -0.0121 -0.0017 406 THR 56 CA -0.0104 -0.0109 0.0027 407 THR 56 C -0.0068 -0.0085 0.0035 408 THR 56 O -0.0067 -0.0077 0.0065 409 THR 56 CB -0.0106 -0.0106 0.0042 410 THR 56 OG1 -0.0137 -0.0128 0.0029 411 THR 56 CG2 -0.0107 -0.0096 0.0089 412 THR 56 H -0.0109 -0.0125 -0.0032 413 THR 56 HA -0.0126 -0.0118 0.0043 414 THR 56 HB -0.0081 -0.0094 0.0028 415 THR 56 HG1 -0.0131 -0.0131 0.0001 416 THR 56 HG21 -0.0108 -0.0095 0.0098 417 THR 56 HG22 -0.0131 -0.0108 0.0103 418 THR 56 HG23 -0.0083 -0.0080 0.0098 419 ASN 57 N -0.0064 -0.0072 -0.0008 420 ASN 57 CA -0.0035 -0.0065 0.0000 421 ASN 57 C -0.0031 -0.0061 0.0008 422 ASN 57 O -0.0017 -0.0052 0.0027 423 ASN 57 CB -0.0013 -0.0070 -0.0022 424 ASN 57 CG -0.0006 -0.0069 -0.0021 425 ASN 57 OD1 0.0013 -0.0061 -0.0008 426 ASN 57 ND2 -0.0022 -0.0077 -0.0036 427 ASN 57 H -0.0066 -0.0080 -0.0028 428 ASN 57 HA -0.0032 -0.0057 0.0019 429 ASN 57 HB2 -0.0022 -0.0079 -0.0041 430 ASN 57 HB3 0.0007 -0.0066 -0.0020 431 ASN 57 HD21 -0.0037 -0.0083 -0.0047 432 ASN 57 HD22 -0.0017 -0.0076 -0.0036 433 LEU 58 N -0.0041 -0.0064 -0.0019 434 LEU 58 CA -0.0039 -0.0065 -0.0025 435 LEU 58 C -0.0050 -0.0064 -0.0007 436 LEU 58 O -0.0041 -0.0056 -0.0001 437 LEU 58 CB -0.0045 -0.0080 -0.0048 438 LEU 58 CG -0.0047 -0.0086 -0.0057 439 LEU 58 CD1 -0.0066 -0.0094 -0.0046 440 LEU 58 CD2 -0.0029 -0.0072 -0.0055 441 LEU 58 H -0.0049 -0.0073 -0.0026 442 LEU 58 HA -0.0023 -0.0055 -0.0028 443 LEU 58 HB2 -0.0034 -0.0078 -0.0060 444 LEU 58 HB3 -0.0059 -0.0089 -0.0046 445 LEU 58 HG -0.0047 -0.0094 -0.0074 446 LEU 58 HD11 -0.0067 -0.0098 -0.0053 447 LEU 58 HD12 -0.0067 -0.0087 -0.0028 448 LEU 58 HD13 -0.0079 -0.0104 -0.0048 449 LEU 58 HD21 -0.0029 -0.0064 -0.0038 450 LEU 58 HD22 -0.0030 -0.0076 -0.0062 451 LEU 58 HD23 -0.0015 -0.0067 -0.0064 452 LYS 59 N -0.0048 -0.0088 0.0038 453 LYS 59 CA -0.0059 -0.0089 0.0056 454 LYS 59 C -0.0057 -0.0053 0.0081 455 LYS 59 O -0.0054 -0.0042 0.0086 456 LYS 59 CB -0.0086 -0.0121 0.0073 457 LYS 59 CG -0.0103 -0.0121 0.0102 458 LYS 59 CD -0.0129 -0.0155 0.0116 459 LYS 59 CE -0.0142 -0.0159 0.0134 460 LYS 59 NZ -0.0146 -0.0130 0.0165 461 LYS 59 H -0.0056 -0.0104 0.0039 462 LYS 59 HA -0.0049 -0.0093 0.0036 463 LYS 59 HB2 -0.0093 -0.0123 0.0084 464 LYS 59 HB3 -0.0086 -0.0146 0.0054 465 LYS 59 HG2 -0.0096 -0.0118 0.0091 466 LYS 59 HG3 -0.0104 -0.0097 0.0123 467 LYS 59 HD2 -0.0127 -0.0178 0.0094 468 LYS 59 HD3 -0.0139 -0.0155 0.0133 469 LYS 59 HE2 -0.0131 -0.0158 0.0116 470 LYS 59 HE3 -0.0159 -0.0185 0.0141 471 LYS 59 HZ1 -0.0158 -0.0131 0.0183 472 LYS 59 HZ2 -0.0155 -0.0134 0.0176 473 LYS 59 HZ3 -0.0131 -0.0104 0.0161 474 THR 60 N -0.0063 -0.0051 0.0087 475 THR 60 CA -0.0055 -0.0018 0.0113 476 THR 60 C -0.0030 0.0007 0.0095 477 THR 60 O -0.0024 0.0029 0.0112 478 THR 60 CB -0.0054 -0.0003 0.0130 479 THR 60 OG1 -0.0078 -0.0027 0.0147 480 THR 60 CG2 -0.0045 0.0031 0.0157 481 THR 60 H -0.0065 -0.0059 0.0080 482 THR 60 HA -0.0069 -0.0023 0.0134 483 THR 60 HB -0.0040 -0.0000 0.0107 484 THR 60 HG1 -0.0082 -0.0046 0.0129 485 THR 60 HG21 -0.0044 0.0040 0.0168 486 THR 60 HG22 -0.0058 0.0027 0.0179 487 THR 60 HG23 -0.0027 0.0049 0.0144 488 HIS 61 N -0.0025 -0.0007 0.0057 489 HIS 61 CA -0.0013 0.0006 0.0041 490 HIS 61 C -0.0014 0.0000 0.0037 491 HIS 61 O -0.0005 0.0014 0.0032 492 HIS 61 CB -0.0005 0.0004 0.0018 493 HIS 61 CG 0.0005 0.0009 -0.0002 494 HIS 61 ND1 0.0017 0.0031 -0.0005 495 HIS 61 CD2 0.0005 -0.0004 -0.0020 496 HIS 61 CE1 0.0024 0.0030 -0.0024 497 HIS 61 NE2 0.0017 0.0009 -0.0033 498 HIS 61 H -0.0028 -0.0017 0.0052 499 HIS 61 HA -0.0007 0.0023 0.0049 500 HIS 61 HB2 -0.0001 0.0014 0.0021 501 HIS 61 HB3 -0.0012 -0.0013 0.0014 502 HIS 61 HD1 0.0020 0.0044 0.0006 503 HIS 61 HD2 -0.0002 -0.0022 -0.0024 504 HIS 61 HE1 0.0033 0.0042 -0.0032 505 PHE 62 N -0.0002 0.0023 0.0053 506 PHE 62 CA -0.0001 0.0018 0.0046 507 PHE 62 C -0.0006 0.0026 0.0065 508 PHE 62 O -0.0007 0.0022 0.0063 509 PHE 62 CB -0.0007 -0.0008 0.0037 510 PHE 62 CG -0.0004 -0.0018 0.0019 511 PHE 62 CD1 0.0008 -0.0009 -0.0001 512 PHE 62 CD2 -0.0013 -0.0038 0.0023 513 PHE 62 CE1 0.0012 -0.0019 -0.0017 514 PHE 62 CE2 -0.0010 -0.0049 0.0007 515 PHE 62 CZ 0.0002 -0.0039 -0.0013 516 PHE 62 H -0.0009 0.0011 0.0059 517 PHE 62 HA 0.0009 0.0029 0.0032 518 PHE 62 HB2 -0.0017 -0.0018 0.0051 519 PHE 62 HB3 -0.0003 -0.0007 0.0028 520 PHE 62 HD1 0.0016 0.0006 -0.0004 521 PHE 62 HD2 -0.0022 -0.0046 0.0039 522 PHE 62 HE1 0.0021 -0.0011 -0.0033 523 PHE 62 HE2 -0.0017 -0.0064 0.0011 524 PHE 62 HZ 0.0004 -0.0048 -0.0025 525 ARG 63 N -0.0001 0.0030 0.0031 526 ARG 63 CA -0.0011 0.0050 0.0069 527 ARG 63 C 0.0005 0.0100 0.0050 528 ARG 63 O -0.0001 0.0123 0.0077 529 ARG 63 CB -0.0031 0.0062 0.0123 530 ARG 63 CG -0.0050 0.0010 0.0148 531 ARG 63 CD -0.0068 0.0023 0.0202 532 ARG 63 NE -0.0077 0.0051 0.0237 533 ARG 63 CZ -0.0096 0.0060 0.0289 534 ARG 63 NH1 -0.0109 0.0040 0.0313 535 ARG 63 NH2 -0.0102 0.0088 0.0317 536 ARG 63 H -0.0002 0.0038 0.0039 537 ARG 63 HA -0.0018 0.0016 0.0070 538 ARG 63 HB2 -0.0024 0.0090 0.0121 539 ARG 63 HB3 -0.0037 0.0080 0.0148 540 ARG 63 HG2 -0.0056 -0.0018 0.0151 541 ARG 63 HG3 -0.0044 -0.0009 0.0123 542 ARG 63 HD2 -0.0082 -0.0015 0.0218 543 ARG 63 HD3 -0.0062 0.0050 0.0198 544 ARG 63 HE -0.0068 0.0065 0.0221 545 ARG 63 HH11 -0.0105 0.0018 0.0293 546 ARG 63 HH12 -0.0123 0.0046 0.0352 547 ARG 63 HH21 -0.0092 0.0102 0.0300 548 ARG 63 HH22 -0.0115 0.0096 0.0356 549 SER 64 N 0.0014 0.0060 0.0054 550 SER 64 CA 0.0018 0.0072 0.0043 551 SER 64 C 0.0025 0.0066 0.0033 552 SER 64 O 0.0032 0.0056 0.0024 553 SER 64 CB 0.0021 0.0077 0.0035 554 SER 64 OG 0.0016 0.0080 0.0045 555 SER 64 H 0.0016 0.0053 0.0052 556 SER 64 HA 0.0013 0.0082 0.0048 557 SER 64 HB2 0.0027 0.0068 0.0029 558 SER 64 HB3 0.0023 0.0088 0.0029 559 SER 64 HG 0.0011 0.0090 0.0049 560 LYS 65 N 0.0031 0.0043 -0.0015 561 LYS 65 CA 0.0037 0.0056 -0.0010 562 LYS 65 C 0.0040 0.0054 0.0005 563 LYS 65 O 0.0046 0.0063 0.0013 564 LYS 65 CB 0.0036 0.0064 -0.0022 565 LYS 65 CG 0.0030 0.0054 -0.0030 566 LYS 65 CD 0.0031 0.0048 -0.0019 567 LYS 65 CE 0.0026 0.0039 -0.0027 568 LYS 65 NZ 0.0026 0.0032 -0.0016 569 LYS 65 H 0.0027 0.0039 -0.0024 570 LYS 65 HA 0.0040 0.0063 -0.0008 571 LYS 65 HB2 0.0040 0.0072 -0.0018 572 LYS 65 HB3 0.0035 0.0069 -0.0031 573 LYS 65 HG2 0.0030 0.0061 -0.0039 574 LYS 65 HG3 0.0026 0.0045 -0.0034 575 LYS 65 HD2 0.0032 0.0041 -0.0010 576 LYS 65 HD3 0.0036 0.0057 -0.0015 577 LYS 65 HE2 0.0026 0.0046 -0.0035 578 LYS 65 HE3 0.0021 0.0030 -0.0032 579 LYS 65 HZ1 0.0031 0.0040 -0.0011 580 LYS 65 HZ2 0.0026 0.0025 -0.0008 581 LYS 65 HZ3 0.0023 0.0026 -0.0022 582 ASP 66 N 0.0041 0.0053 0.0032 583 ASP 66 CA 0.0052 0.0049 0.0050 584 ASP 66 C 0.0055 0.0046 0.0049 585 ASP 66 O 0.0059 0.0049 0.0064 586 ASP 66 CB 0.0065 0.0034 0.0054 587 ASP 66 CG 0.0077 0.0032 0.0074 588 ASP 66 OD1 0.0078 0.0040 0.0087 589 ASP 66 OD2 0.0086 0.0022 0.0076 590 ASP 66 H 0.0043 0.0044 0.0023 591 ASP 66 HA 0.0050 0.0061 0.0061 592 ASP 66 HB2 0.0063 0.0036 0.0052 593 ASP 66 HB3 0.0069 0.0023 0.0043 594 HIS 67 N 0.0046 0.0059 0.0035 595 HIS 67 CA 0.0045 0.0055 0.0022 596 HIS 67 C 0.0034 0.0052 0.0020 597 HIS 67 O 0.0034 0.0051 0.0015 598 HIS 67 CB 0.0045 0.0053 0.0014 599 HIS 67 CG 0.0045 0.0049 -0.0000 600 HIS 67 ND1 0.0052 0.0049 -0.0006 601 HIS 67 CD2 0.0043 0.0046 -0.0009 602 HIS 67 CE1 0.0054 0.0046 -0.0018 603 HIS 67 NE2 0.0049 0.0044 -0.0020 604 HIS 67 H 0.0046 0.0060 0.0038 605 HIS 67 HA 0.0054 0.0056 0.0019 606 HIS 67 HB2 0.0053 0.0055 0.0014 607 HIS 67 HB3 0.0036 0.0051 0.0016 608 HIS 67 HD1 0.0055 0.0050 -0.0002 609 HIS 67 HD2 0.0036 0.0044 -0.0007 610 HIS 67 HE1 0.0060 0.0045 -0.0025 611 LYS 68 N 0.0030 0.0042 0.0022 612 LYS 68 CA 0.0036 0.0045 0.0023 613 LYS 68 C 0.0034 0.0041 0.0019 614 LYS 68 O 0.0034 0.0043 0.0021 615 LYS 68 CB 0.0045 0.0046 0.0021 616 LYS 68 CG 0.0047 0.0050 0.0024 617 LYS 68 CD 0.0057 0.0051 0.0021 618 LYS 68 CE 0.0059 0.0044 0.0014 619 LYS 68 NZ 0.0068 0.0044 0.0011 620 LYS 68 H 0.0033 0.0040 0.0019 621 LYS 68 HA 0.0034 0.0050 0.0028 622 LYS 68 HB2 0.0046 0.0041 0.0015 623 LYS 68 HB3 0.0050 0.0048 0.0022 624 LYS 68 HG2 0.0045 0.0054 0.0030 625 LYS 68 HG3 0.0043 0.0047 0.0023 626 LYS 68 HD2 0.0061 0.0053 0.0022 627 LYS 68 HD3 0.0058 0.0053 0.0024 628 LYS 68 HE2 0.0054 0.0042 0.0013 629 LYS 68 HE3 0.0058 0.0041 0.0011 630 LYS 68 HZ1 0.0072 0.0047 0.0012 631 LYS 68 HZ2 0.0069 0.0040 0.0006 632 LYS 68 HZ3 0.0068 0.0047 0.0014 633 LYS 69 N 0.0025 0.0055 0.0056 634 LYS 69 CA 0.0026 0.0058 0.0073 635 LYS 69 C 0.0034 0.0056 0.0067 636 LYS 69 O 0.0025 0.0058 0.0073 637 LYS 69 CB 0.0040 0.0059 0.0088 638 LYS 69 CG 0.0049 0.0061 0.0105 639 LYS 69 CD 0.0065 0.0061 0.0116 640 LYS 69 CE 0.0076 0.0062 0.0133 641 LYS 69 NZ 0.0092 0.0062 0.0142 642 LYS 69 H 0.0033 0.0055 0.0056 643 LYS 69 HA 0.0011 0.0060 0.0080 644 LYS 69 HB2 0.0032 0.0060 0.0095 645 LYS 69 HB3 0.0053 0.0056 0.0079 646 LYS 69 HG2 0.0055 0.0059 0.0098 647 LYS 69 HG3 0.0036 0.0063 0.0115 648 LYS 69 HD2 0.0057 0.0062 0.0123 649 LYS 69 HD3 0.0075 0.0058 0.0105 650 LYS 69 HE2 0.0083 0.0061 0.0127 651 LYS 69 HE3 0.0065 0.0065 0.0145 652 LYS 69 HZ1 0.0100 0.0063 0.0153 653 LYS 69 HZ2 0.0102 0.0060 0.0130 654 LYS 69 HZ3 0.0085 0.0064 0.0147 655 ARG 70 N 0.0041 0.0057 0.0062 656 ARG 70 CA 0.0042 0.0058 0.0056 657 ARG 70 C 0.0026 0.0063 0.0043 658 ARG 70 O 0.0018 0.0064 0.0043 659 ARG 70 CB 0.0061 0.0059 0.0047 660 ARG 70 CG 0.0063 0.0060 0.0043 661 ARG 70 CD 0.0061 0.0055 0.0060 662 ARG 70 NE 0.0062 0.0056 0.0056 663 ARG 70 CZ 0.0053 0.0054 0.0066 664 ARG 70 NH1 0.0042 0.0052 0.0080 665 ARG 70 NH2 0.0055 0.0056 0.0061 666 ARG 70 H 0.0052 0.0057 0.0058 667 ARG 70 HA 0.0040 0.0055 0.0068 668 ARG 70 HB2 0.0072 0.0055 0.0056 669 ARG 70 HB3 0.0062 0.0062 0.0035 670 ARG 70 HG2 0.0077 0.0060 0.0037 671 ARG 70 HG3 0.0052 0.0063 0.0033 672 ARG 70 HD2 0.0047 0.0055 0.0066 673 ARG 70 HD3 0.0072 0.0052 0.0069 674 ARG 70 HE 0.0070 0.0058 0.0045 675 ARG 70 HH11 0.0040 0.0051 0.0084 676 ARG 70 HH12 0.0035 0.0050 0.0088 677 ARG 70 HH21 0.0063 0.0058 0.0050 678 ARG 70 HH22 0.0049 0.0054 0.0068 679 LEU 71 N 0.0020 0.0061 0.0033 680 LEU 71 CA 0.0009 0.0064 0.0024 681 LEU 71 C -0.0005 0.0064 0.0031 682 LEU 71 O -0.0013 0.0066 0.0027 683 LEU 71 CB 0.0009 0.0067 0.0015 684 LEU 71 CG 0.0022 0.0067 0.0008 685 LEU 71 CD1 0.0020 0.0069 -0.0001 686 LEU 71 CD2 0.0027 0.0069 -0.0001 687 LEU 71 H 0.0024 0.0060 0.0034 688 LEU 71 HA 0.0011 0.0066 0.0018 689 LEU 71 HB2 0.0006 0.0065 0.0022 690 LEU 71 HB3 0.0001 0.0069 0.0009 691 LEU 71 HG 0.0030 0.0065 0.0014 692 LEU 71 HD11 0.0012 0.0072 -0.0008 693 LEU 71 HD12 0.0016 0.0068 0.0005 694 LEU 71 HD13 0.0029 0.0070 -0.0006 695 LEU 71 HD21 0.0029 0.0067 0.0005 696 LEU 71 HD22 0.0019 0.0071 -0.0008 697 LEU 71 HD23 0.0036 0.0069 -0.0006 698 LYS 72 N -0.0002 0.0066 0.0049 699 LYS 72 CA -0.0021 0.0036 0.0050 700 LYS 72 C -0.0060 0.0025 0.0042 701 LYS 72 O -0.0088 0.0020 0.0036 702 LYS 72 CB 0.0004 0.0001 0.0063 703 LYS 72 CG -0.0013 -0.0033 0.0065 704 LYS 72 CD 0.0015 -0.0065 0.0078 705 LYS 72 CE -0.0001 -0.0099 0.0080 706 LYS 72 NZ 0.0026 -0.0130 0.0093 707 LYS 72 H 0.0022 0.0061 0.0056 708 LYS 72 HA -0.0024 0.0047 0.0047 709 LYS 72 HB2 0.0031 0.0009 0.0068 710 LYS 72 HB3 0.0007 -0.0009 0.0066 711 LYS 72 HG2 -0.0039 -0.0043 0.0060 712 LYS 72 HG3 -0.0018 -0.0023 0.0062 713 LYS 72 HD2 0.0041 -0.0055 0.0083 714 LYS 72 HD3 0.0019 -0.0076 0.0081 715 LYS 72 HE2 -0.0027 -0.0110 0.0075 716 LYS 72 HE3 -0.0007 -0.0088 0.0076 717 LYS 72 HZ1 0.0032 -0.0141 0.0096 718 LYS 72 HZ2 0.0051 -0.0120 0.0097 719 LYS 72 HZ3 0.0014 -0.0153 0.0094 720 GLN 73 N -0.0023 0.0041 0.0059 721 GLN 73 CA -0.0026 0.0041 0.0059 722 GLN 73 C -0.0031 0.0047 0.0039 723 GLN 73 O -0.0044 0.0044 0.0037 724 GLN 73 CB -0.0006 0.0043 0.0068 725 GLN 73 CG 0.0000 0.0036 0.0089 726 GLN 73 CD 0.0020 0.0039 0.0097 727 GLN 73 OE1 0.0033 0.0047 0.0086 728 GLN 73 NE2 0.0022 0.0032 0.0115 729 GLN 73 H -0.0010 0.0044 0.0062 730 GLN 73 HA -0.0037 0.0034 0.0068 731 GLN 73 HB2 0.0005 0.0049 0.0060 732 GLN 73 HB3 -0.0008 0.0042 0.0068 733 GLN 73 HG2 -0.0011 0.0030 0.0098 734 GLN 73 HG3 0.0002 0.0037 0.0089 735 GLN 73 HE21 0.0011 0.0026 0.0123 736 GLN 73 HE22 0.0034 0.0033 0.0121 737 LEU 74 N -0.0026 0.0061 0.0050 738 LEU 74 CA -0.0031 0.0070 0.0034 739 LEU 74 C -0.0052 0.0078 0.0023 740 LEU 74 O -0.0061 0.0084 0.0011 741 LEU 74 CB -0.0010 0.0075 0.0019 742 LEU 74 CG -0.0011 0.0084 0.0002 743 LEU 74 CD1 -0.0015 0.0080 0.0010 744 LEU 74 CD2 0.0010 0.0088 -0.0012 745 LEU 74 H -0.0014 0.0061 0.0048 746 LEU 74 HA -0.0034 0.0067 0.0040 747 LEU 74 HB2 0.0004 0.0069 0.0027 748 LEU 74 HB3 -0.0009 0.0078 0.0013 749 LEU 74 HG -0.0025 0.0090 -0.0007 750 LEU 74 HD11 -0.0015 0.0086 -0.0003 751 LEU 74 HD12 -0.0001 0.0074 0.0019 752 LEU 74 HD13 -0.0030 0.0078 0.0018 753 LEU 74 HD21 0.0024 0.0082 -0.0003 754 LEU 74 HD22 0.0009 0.0094 -0.0024 755 LEU 74 HD23 0.0012 0.0091 -0.0018 756 SER 75 N -0.0068 0.0071 0.0029 757 SER 75 CA -0.0087 0.0080 0.0021 758 SER 75 C -0.0077 0.0102 -0.0000 759 SER 75 O -0.0094 0.0115 -0.0012 760 SER 75 CB -0.0120 0.0079 0.0022 761 SER 75 OG -0.0139 0.0087 0.0015 762 SER 75 H -0.0053 0.0060 0.0039 763 SER 75 HA -0.0085 0.0070 0.0030 764 SER 75 HB2 -0.0125 0.0063 0.0036 765 SER 75 HB3 -0.0122 0.0089 0.0012 766 SER 75 HG -0.0155 0.0077 0.0024 767 VAL 76 N -0.0043 0.0102 0.0009 768 VAL 76 CA -0.0037 0.0110 -0.0009 769 VAL 76 C -0.0043 0.0118 -0.0016 770 VAL 76 O -0.0052 0.0128 -0.0026 771 VAL 76 CB -0.0016 0.0105 -0.0014 772 VAL 76 CG1 -0.0009 0.0114 -0.0033 773 VAL 76 CG2 -0.0009 0.0098 -0.0008 774 VAL 76 H -0.0034 0.0093 0.0016 775 VAL 76 HA -0.0042 0.0116 -0.0014 776 VAL 76 HB -0.0011 0.0099 -0.0008 777 VAL 76 HG11 0.0005 0.0110 -0.0036 778 VAL 76 HG12 -0.0015 0.0120 -0.0038 779 VAL 76 HG13 -0.0013 0.0118 -0.0037 780 VAL 76 HG21 0.0005 0.0094 -0.0011 781 VAL 76 HG22 -0.0014 0.0091 0.0006 782 VAL 76 HG23 -0.0015 0.0104 -0.0013 783 GLU 77 N -0.0021 0.0097 0.0012 784 GLU 77 CA -0.0018 0.0099 0.0010 785 GLU 77 C -0.0018 0.0086 0.0018 786 GLU 77 O -0.0006 0.0078 0.0021 787 GLU 77 CB -0.0003 0.0106 0.0004 788 GLU 77 CG 0.0011 0.0100 0.0005 789 GLU 77 CD 0.0025 0.0106 -0.0002 790 GLU 77 OE1 0.0027 0.0117 -0.0008 791 GLU 77 OE2 0.0035 0.0101 -0.0000 792 GLU 77 H -0.0017 0.0089 0.0016 793 GLU 77 HA -0.0027 0.0106 0.0008 794 GLU 77 HB2 -0.0000 0.0106 0.0003 795 GLU 77 HB3 -0.0005 0.0117 -0.0002 796 GLU 77 HG2 0.0009 0.0100 0.0005 797 GLU 77 HG3 0.0013 0.0089 0.0011 798 PRO 78 N -0.0038 0.0085 0.0022 799 PRO 78 CA -0.0036 0.0053 0.0034 800 PRO 78 C -0.0004 0.0055 0.0032 801 PRO 78 O -0.0004 0.0080 0.0023 802 PRO 78 CB -0.0074 0.0050 0.0036 803 PRO 78 CG -0.0098 0.0076 0.0028 804 PRO 78 CD -0.0073 0.0104 0.0017 805 PRO 78 HA -0.0031 0.0030 0.0041 806 PRO 78 HB2 -0.0071 0.0057 0.0033 807 PRO 78 HB3 -0.0084 0.0024 0.0046 808 PRO 78 HG2 -0.0119 0.0086 0.0025 809 PRO 78 HG3 -0.0111 0.0063 0.0033 810 PRO 78 HD2 -0.0070 0.0124 0.0010 811 PRO 78 HD3 -0.0084 0.0115 0.0013 812 TYR 79 N 0.0034 0.0016 0.0039 813 TYR 79 CA 0.0081 0.0016 0.0034 814 TYR 79 C 0.0110 0.0052 0.0026 815 TYR 79 O 0.0111 0.0094 0.0021 816 TYR 79 CB 0.0083 0.0023 0.0033 817 TYR 79 CG 0.0060 -0.0016 0.0040 818 TYR 79 CD1 0.0013 -0.0014 0.0045 819 TYR 79 CD2 0.0086 -0.0054 0.0042 820 TYR 79 CE1 -0.0008 -0.0050 0.0052 821 TYR 79 CE2 0.0066 -0.0090 0.0048 822 TYR 79 CZ 0.0019 -0.0088 0.0053 823 TYR 79 OH -0.0002 -0.0124 0.0060 824 TYR 79 H 0.0024 -0.0012 0.0044 825 TYR 79 HA 0.0096 -0.0017 0.0036 826 TYR 79 HB2 0.0065 0.0056 0.0031 827 TYR 79 HB3 0.0119 0.0025 0.0029 828 TYR 79 HD1 -0.0007 0.0016 0.0044 829 TYR 79 HD2 0.0123 -0.0056 0.0038 830 TYR 79 HE1 -0.0045 -0.0047 0.0056 831 TYR 79 HE2 0.0086 -0.0120 0.0049 832 TYR 79 HH 0.0008 -0.0152 0.0062 833 SER 80 N 0.0111 0.0031 0.0022 834 SER 80 CA 0.0118 0.0052 0.0032 835 SER 80 C 0.0156 0.0047 0.0028 836 SER 80 O 0.0179 0.0032 0.0020 837 SER 80 CB 0.0089 0.0044 0.0029 838 SER 80 OG 0.0090 0.0065 0.0039 839 SER 80 H 0.0107 0.0007 0.0012 840 SER 80 HA 0.0114 0.0077 0.0044 841 SER 80 HB2 0.0062 0.0045 0.0031 842 SER 80 HB3 0.0093 0.0019 0.0018 843 SER 80 HG 0.0078 0.0085 0.0049 844 GLN 81 N 0.0190 0.0043 0.0043 845 GLN 81 CA 0.0181 0.0043 0.0030 846 GLN 81 C 0.0168 0.0049 -0.0019 847 GLN 81 O 0.0150 0.0048 -0.0037 848 GLN 81 CB 0.0144 0.0031 0.0057 849 GLN 81 CG 0.0138 0.0030 0.0050 850 GLN 81 CD 0.0099 0.0018 0.0072 851 GLN 81 OE1 0.0066 0.0010 0.0078 852 GLN 81 NE2 0.0104 0.0017 0.0085 853 GLN 81 H 0.0170 0.0036 0.0061 854 GLN 81 HA 0.0210 0.0049 0.0036 855 GLN 81 HB2 0.0151 0.0026 0.0092 856 GLN 81 HB3 0.0114 0.0026 0.0047 857 GLN 81 HG2 0.0133 0.0035 0.0015 858 GLN 81 HG3 0.0167 0.0035 0.0062 859 GLN 81 HE21 0.0131 0.0024 0.0079 860 GLN 81 HE22 0.0079 0.0009 0.0100 861 GLU 82 N 0.0274 -0.0009 0.0026 862 GLU 82 CA 0.0286 -0.0042 0.0007 863 GLU 82 C 0.0288 -0.0075 -0.0015 864 GLU 82 O 0.0299 -0.0106 -0.0032 865 GLU 82 CB 0.0259 -0.0044 -0.0003 866 GLU 82 CG 0.0270 -0.0077 -0.0022 867 GLU 82 CD 0.0243 -0.0075 -0.0029 868 GLU 82 OE1 0.0207 -0.0081 -0.0044 869 GLU 82 OE2 0.0257 -0.0067 -0.0019 870 GLU 82 H 0.0296 0.0004 0.0042 871 GLU 82 HA 0.0318 -0.0042 0.0017 872 GLU 82 HB2 0.0261 -0.0021 0.0014 873 GLU 82 HB3 0.0227 -0.0042 -0.0012 874 GLU 82 HG2 0.0266 -0.0100 -0.0039 875 GLU 82 HG3 0.0302 -0.0079 -0.0013 876 GLU 83 N 0.0284 -0.0047 -0.0015 877 GLU 83 CA 0.0269 -0.0064 -0.0016 878 GLU 83 C 0.0280 -0.0031 -0.0012 879 GLU 83 O 0.0306 -0.0040 -0.0018 880 GLU 83 CB 0.0220 -0.0076 -0.0009 881 GLU 83 CG 0.0200 -0.0094 -0.0008 882 GLU 83 CD 0.0153 -0.0110 -0.0002 883 GLU 83 OE1 0.0123 -0.0083 0.0009 884 GLU 83 OE2 0.0144 -0.0151 -0.0009 885 GLU 83 H 0.0276 -0.0017 -0.0008 886 GLU 83 HA 0.0287 -0.0094 -0.0025 887 GLU 83 HB2 0.0214 -0.0100 -0.0012 888 GLU 83 HB3 0.0202 -0.0047 0.0000 889 GLU 83 HG2 0.0202 -0.0069 -0.0004 890 GLU 83 HG3 0.0219 -0.0122 -0.0017 891 ALA 84 N 0.0261 -0.0006 0.0002 892 ALA 84 CA 0.0270 0.0024 0.0006 893 ALA 84 C 0.0300 0.0051 0.0005 894 ALA 84 O 0.0305 0.0084 0.0011 895 ALA 84 CB 0.0234 0.0044 0.0017 896 ALA 84 H 0.0244 -0.0001 0.0006 897 ALA 84 HA 0.0280 0.0011 0.0001 898 ALA 84 HB1 0.0241 0.0066 0.0020 899 ALA 84 HB2 0.0222 0.0056 0.0022 900 ALA 84 HB3 0.0215 0.0024 0.0017 901 GLU 85 N 0.0312 0.0053 -0.0016 902 GLU 85 CA 0.0358 0.0080 -0.0024 903 GLU 85 C 0.0385 0.0029 -0.0042 904 GLU 85 O 0.0363 0.0009 -0.0041 905 GLU 85 CB 0.0336 0.0124 -0.0008 906 GLU 85 CG 0.0381 0.0164 -0.0013 907 GLU 85 CD 0.0417 0.0135 -0.0029 908 GLU 85 OE1 0.0399 0.0133 -0.0025 909 GLU 85 OE2 0.0464 0.0115 -0.0047 910 GLU 85 H 0.0305 0.0012 -0.0023 911 GLU 85 HA 0.0389 0.0101 -0.0029 912 GLU 85 HB2 0.0306 0.0152 0.0006 913 GLU 85 HB3 0.0312 0.0100 -0.0006 914 GLU 85 HG2 0.0409 0.0173 -0.0019 915 GLU 85 HG3 0.0363 0.0203 0.0001 916 ARG 86 N 0.0428 -0.0075 -0.0098 917 ARG 86 CA 0.0481 -0.0069 -0.0014 918 ARG 86 C 0.0471 -0.0070 -0.0018 919 ARG 86 O 0.0393 -0.0076 -0.0053 920 ARG 86 CB 0.0450 -0.0068 0.0094 921 ARG 86 CG 0.0332 -0.0075 0.0112 922 ARG 86 CD 0.0265 -0.0079 0.0111 923 ARG 86 NE 0.0154 -0.0086 0.0119 924 ARG 86 CZ 0.0074 -0.0091 0.0100 925 ARG 86 NH1 0.0093 -0.0091 0.0078 926 ARG 86 NH2 -0.0023 -0.0097 0.0105 927 ARG 86 H 0.0353 -0.0080 -0.0110 928 ARG 86 HA 0.0563 -0.0064 -0.0025 929 ARG 86 HB2 0.0475 -0.0064 0.0155 930 ARG 86 HB3 0.0490 -0.0065 0.0104 931 ARG 86 HG2 0.0321 -0.0073 0.0187 932 ARG 86 HG3 0.0304 -0.0078 0.0051 933 ARG 86 HD2 0.0280 -0.0080 0.0040 934 ARG 86 HD3 0.0287 -0.0076 0.0177 935 ARG 86 HE 0.0138 -0.0086 0.0137 936 ARG 86 HH11 0.0164 -0.0086 0.0074 937 ARG 86 HH12 0.0034 -0.0095 0.0064 938 ARG 86 HH21 -0.0040 -0.0098 0.0122 939 ARG 86 HH22 -0.0085 -0.0102 0.0091 940 ALA 87 N 0.0615 -0.0127 -0.0115 941 ALA 87 CA 0.0658 -0.0134 -0.0202 942 ALA 87 C 0.0620 -0.0140 0.0013 943 ALA 87 O 0.0742 -0.0185 0.0041 944 ALA 87 CB 0.0906 -0.0210 -0.0301 945 ALA 87 H 0.0737 -0.0177 -0.0020 946 ALA 87 HA 0.0539 -0.0080 -0.0345 947 ALA 87 HB1 0.1024 -0.0264 -0.0159 948 ALA 87 HB2 0.0931 -0.0205 -0.0453 949 ALA 87 HB3 0.0941 -0.0217 -0.0361 950 ALA 88 N 0.0460 -0.0068 0.0171 951 ALA 88 CA 0.0388 -0.0009 0.0403 952 ALA 88 C 0.0109 0.0090 0.0404 953 ALA 88 O -0.0013 0.0148 0.0510 954 ALA 88 CB 0.0498 -0.0012 0.0643 955 ALA 88 H 0.0377 -0.0046 0.0121 956 ALA 88 HA 0.0459 -0.0034 0.0401 957 ALA 88 HB1 0.0427 0.0014 0.0649 958 ALA 88 HB2 0.0698 -0.0083 0.0637 959 ALA 88 HB3 0.0444 0.0032 0.0814 960 GLY 89 N -0.0416 0.0121 0.0244 961 GLY 89 CA -0.0729 0.0224 0.0226 962 GLY 89 C -0.0833 0.0226 0.0105 963 GLY 89 O -0.0746 0.0232 0.0234 964 GLY 89 H -0.0301 0.0049 0.0129 965 GLY 89 HA2 -0.0799 0.0311 0.0448 966 GLY 89 HA3 -0.0823 0.0215 0.0081 967 MET 90 N -0.1463 0.0091 -0.0054 968 MET 90 CA -0.1146 0.0142 -0.0047 969 MET 90 C -0.1000 -0.0122 -0.0053 970 MET 90 O -0.0920 -0.0340 -0.0059 971 MET 90 CB -0.1000 0.0220 -0.0042 972 MET 90 CG -0.0680 0.0339 -0.0032 973 MET 90 SD -0.0409 0.0087 -0.0036 974 MET 90 CE -0.0078 0.0293 -0.0023 975 MET 90 H -0.1595 0.0225 -0.0052 976 MET 90 HA -0.1123 0.0326 -0.0040 977 MET 90 HB2 -0.1133 0.0386 -0.0038 978 MET 90 HB3 -0.1002 0.0025 -0.0048 979 MET 90 HG2 -0.0678 0.0534 -0.0026 980 MET 90 HG3 -0.0616 0.0400 -0.0029 981 MET 90 HE1 -0.0092 0.0496 -0.0017 982 MET 90 HE2 0.0107 0.0166 -0.0024 983 MET 90 HE3 -0.0050 0.0340 -0.0021 984 GLY 91 N -0.0662 0.0079 -0.0059 985 GLY 91 CA -0.0471 -0.0137 -0.0141 986 GLY 91 C -0.0172 -0.0018 -0.0089 987 GLY 91 O -0.0088 0.0002 -0.0080 988 GLY 91 H -0.0704 0.0243 0.0004 989 GLY 91 HA2 -0.0445 -0.0299 -0.0204 990 GLY 91 HA3 -0.0569 -0.0225 -0.0177 991 SER 92 N 0.0143 -0.0110 -0.0185 992 SER 92 CA 0.0420 0.0038 -0.0180 993 SER 92 C 0.0707 -0.0164 -0.0208 994 SER 92 O 0.0786 -0.0232 -0.0217 995 SER 92 CB 0.0454 0.0359 -0.0150 996 SER 92 OG 0.0179 0.0542 -0.0124 997 SER 92 H 0.0124 -0.0145 -0.0187 998 SER 92 HA 0.0393 0.0069 -0.0176 999 SER 92 HB2 0.0481 0.0331 -0.0154 1000 SER 92 HB3 0.0656 0.0477 -0.0145 1001 SER 92 HG 0.0025 0.0398 -0.0132 1002 TYR 93 N 0.0967 -0.0498 -0.0063 1003 TYR 93 CA 0.0736 -0.0349 0.0023 1004 TYR 93 C 0.0499 -0.0535 0.0020 1005 TYR 93 O 0.0533 -0.0742 -0.0044 1006 TYR 93 CB 0.0753 -0.0124 0.0081 1007 TYR 93 CG 0.0543 0.0072 0.0176 1008 TYR 93 CD1 0.0582 0.0284 0.0226 1009 TYR 93 CD2 0.0308 0.0047 0.0216 1010 TYR 93 CE1 0.0394 0.0464 0.0313 1011 TYR 93 CE2 0.0118 0.0226 0.0303 1012 TYR 93 CZ 0.0162 0.0434 0.0351 1013 TYR 93 OH -0.0028 0.0613 0.0437 1014 TYR 93 H 0.1009 -0.0563 -0.0089 1015 TYR 93 HA 0.0727 -0.0273 0.0046 1016 TYR 93 HB2 0.0941 -0.0020 0.0072 1017 TYR 93 HB3 0.0738 -0.0206 0.0062 1018 TYR 93 HD1 0.0765 0.0307 0.0196 1019 TYR 93 HD2 0.0273 -0.0117 0.0178 1020 TYR 93 HE1 0.0428 0.0627 0.0351 1021 TYR 93 HE2 -0.0064 0.0204 0.0333 1022 TYR 93 HH -0.0192 0.0516 0.0443 1023 VAL 94 N 0.0415 -0.0523 0.0105 1024 VAL 94 CA 0.0054 -0.0617 -0.0112 1025 VAL 94 C -0.0023 -0.0340 -0.0081 1026 VAL 94 O -0.0120 0.0066 -0.0028 1027 VAL 94 CB -0.0322 -0.0585 -0.0303 1028 VAL 94 CG1 -0.0410 -0.0137 -0.0234 1029 VAL 94 CG2 -0.0687 -0.0706 -0.0528 1030 VAL 94 H 0.0393 -0.0409 0.0123 1031 VAL 94 HA 0.0118 -0.0952 -0.0163 1032 VAL 94 HB -0.0256 -0.0820 -0.0329 1033 VAL 94 HG11 -0.0669 -0.0133 -0.0372 1034 VAL 94 HG12 -0.0465 0.0108 -0.0200 1035 VAL 94 HG13 -0.0157 -0.0071 -0.0083 1036 VAL 94 HG21 -0.0750 -0.0486 -0.0505 1037 VAL 94 HG22 -0.0940 -0.0680 -0.0657 1038 VAL 94 HG23 -0.0629 -0.1038 -0.0583