1 ASP 28 N -0.0035 -0.0103 -0.0153 2 ASP 28 CA -0.0015 -0.0063 -0.0076 3 ASP 28 C 0.0068 -0.0114 -0.0020 4 ASP 28 O 0.0108 -0.0188 -0.0054 5 ASP 28 CB -0.0045 -0.0051 -0.0103 6 ASP 28 CG -0.0028 -0.0009 -0.0026 7 ASP 28 OD1 -0.0057 0.0064 0.0022 8 ASP 28 OD2 0.0011 -0.0046 -0.0016 9 ASP 28 H -0.0092 -0.0070 -0.0194 10 ASP 28 HA -0.0040 -0.0005 -0.0039 11 ASP 28 HB2 -0.0105 -0.0014 -0.0142 12 ASP 28 HB3 -0.0022 -0.0109 -0.0141 13 PRO 29 N 0.0027 -0.0098 0.0054 14 PRO 29 CA 0.0100 -0.0061 0.0029 15 PRO 29 C 0.0199 -0.0164 0.0033 16 PRO 29 O 0.0268 -0.0216 0.0030 17 PRO 29 CB 0.0168 0.0056 -0.0013 18 PRO 29 CG 0.0098 0.0101 -0.0009 19 PRO 29 CD 0.0044 -0.0013 0.0030 20 PRO 29 HA 0.0040 -0.0037 0.0036 21 PRO 29 HB2 0.0266 0.0028 -0.0028 22 PRO 29 HB3 0.0164 0.0126 -0.0030 23 PRO 29 HG2 0.0163 0.0143 -0.0033 24 PRO 29 HG3 0.0022 0.0169 -0.0010 25 PRO 29 HD2 0.0109 -0.0055 0.0026 26 PRO 29 HD3 -0.0047 0.0013 0.0042 27 ASN 30 N 0.0133 -0.0057 -0.0026 28 ASN 30 CA 0.0125 -0.0043 -0.0052 29 ASN 30 C 0.0103 -0.0021 -0.0090 30 ASN 30 O 0.0064 -0.0011 -0.0092 31 ASN 30 CB 0.0099 -0.0049 -0.0027 32 ASN 30 CG 0.0088 -0.0035 -0.0051 33 ASN 30 OD1 0.0113 -0.0039 -0.0055 34 ASN 30 ND2 0.0050 -0.0020 -0.0066 35 ASN 30 H 0.0162 -0.0067 -0.0017 36 ASN 30 HA 0.0157 -0.0046 -0.0062 37 ASN 30 HB2 0.0119 -0.0064 -0.0002 38 ASN 30 HB3 0.0070 -0.0048 -0.0014 39 ASN 30 HD21 0.0031 -0.0018 -0.0062 40 ASN 30 HD22 0.0043 -0.0011 -0.0082 41 ALA 31 N 0.0059 -0.0048 -0.0009 42 ALA 31 CA 0.0055 -0.0027 -0.0028 43 ALA 31 C 0.0076 -0.0027 -0.0048 44 ALA 31 O 0.0089 -0.0030 -0.0058 45 ALA 31 CB 0.0046 -0.0017 -0.0032 46 ALA 31 H 0.0074 -0.0059 -0.0011 47 ALA 31 HA 0.0042 -0.0019 -0.0026 48 ALA 31 HB1 0.0042 -0.0001 -0.0046 49 ALA 31 HB2 0.0058 -0.0025 -0.0034 50 ALA 31 HB3 0.0031 -0.0017 -0.0018 51 GLU 32 N 0.0046 0.0013 -0.0094 52 GLU 32 CA 0.0031 -0.0038 -0.0124 53 GLU 32 C 0.0052 0.0028 -0.0121 54 GLU 32 O 0.0049 0.0009 -0.0162 55 GLU 32 CB 0.0001 -0.0118 -0.0057 56 GLU 32 CG 0.0002 -0.0092 0.0049 57 GLU 32 CD -0.0029 -0.0175 0.0110 58 GLU 32 OE1 -0.0038 -0.0203 0.0119 59 GLU 32 OE2 -0.0044 -0.0216 0.0149 60 GLU 32 H 0.0039 0.0006 -0.0026 61 GLU 32 HA 0.0027 -0.0063 -0.0196 62 GLU 32 HB2 -0.0010 -0.0155 -0.0083 63 GLU 32 HB3 -0.0014 -0.0162 -0.0062 64 GLU 32 HG2 0.0012 -0.0058 0.0077 65 GLU 32 HG3 0.0017 -0.0046 0.0054 66 PHE 33 N 0.0067 0.0195 -0.0029 67 PHE 33 CA 0.0060 0.0197 -0.0036 68 PHE 33 C 0.0058 0.0179 -0.0024 69 PHE 33 O 0.0060 0.0164 -0.0013 70 PHE 33 CB 0.0041 0.0199 -0.0054 71 PHE 33 CG 0.0027 0.0182 -0.0054 72 PHE 33 CD1 0.0016 0.0164 -0.0050 73 PHE 33 CD2 0.0024 0.0185 -0.0058 74 PHE 33 CE1 0.0004 0.0149 -0.0050 75 PHE 33 CE2 0.0012 0.0170 -0.0058 76 PHE 33 CZ 0.0001 0.0152 -0.0054 77 PHE 33 H 0.0058 0.0186 -0.0030 78 PHE 33 HA 0.0070 0.0210 -0.0037 79 PHE 33 HB2 0.0035 0.0198 -0.0058 80 PHE 33 HB3 0.0043 0.0213 -0.0062 81 PHE 33 HD1 0.0018 0.0162 -0.0047 82 PHE 33 HD2 0.0032 0.0199 -0.0061 83 PHE 33 HE1 -0.0004 0.0135 -0.0047 84 PHE 33 HE2 0.0010 0.0172 -0.0061 85 PHE 33 HZ -0.0008 0.0140 -0.0054 86 ASP 34 N 0.0016 0.0147 -0.0019 87 ASP 34 CA 0.0001 0.0105 0.0008 88 ASP 34 C -0.0032 0.0072 -0.0026 89 ASP 34 O -0.0041 0.0082 -0.0066 90 ASP 34 CB 0.0009 0.0105 0.0029 91 ASP 34 CG -0.0004 0.0064 0.0061 92 ASP 34 OD1 -0.0030 0.0032 0.0044 93 ASP 34 OD2 0.0012 0.0062 0.0105 94 ASP 34 H 0.0018 0.0163 -0.0039 95 ASP 34 HA 0.0005 0.0095 0.0035 96 ASP 34 HB2 0.0033 0.0131 0.0049 97 ASP 34 HB3 0.0002 0.0111 0.0001 98 PRO 35 N -0.0094 -0.0047 0.0047 99 PRO 35 CA -0.0187 -0.0092 0.0002 100 PRO 35 C -0.0195 -0.0102 0.0001 101 PRO 35 O -0.0270 -0.0142 -0.0034 102 PRO 35 CB -0.0211 -0.0199 0.0034 103 PRO 35 CG -0.0120 -0.0228 0.0113 104 PRO 35 CD -0.0047 -0.0128 0.0118 105 PRO 35 HA -0.0236 -0.0049 -0.0053 106 PRO 35 HB2 -0.0262 -0.0252 0.0023 107 PRO 35 HB3 -0.0239 -0.0194 0.0013 108 PRO 35 HG2 -0.0107 -0.0261 0.0137 109 PRO 35 HG3 -0.0120 -0.0282 0.0138 110 PRO 35 HD2 0.0015 -0.0125 0.0161 111 PRO 35 HD3 -0.0029 -0.0120 0.0127 112 ASP 36 N -0.0108 0.0013 0.0048 113 ASP 36 CA -0.0133 0.0013 0.0032 114 ASP 36 C -0.0126 0.0039 -0.0009 115 ASP 36 O -0.0155 0.0042 -0.0035 116 ASP 36 CB -0.0121 0.0003 0.0057 117 ASP 36 CG -0.0144 0.0004 0.0041 118 ASP 36 OD1 -0.0181 -0.0012 0.0044 119 ASP 36 OD2 -0.0124 0.0020 0.0026 120 ASP 36 H -0.0077 0.0020 0.0057 121 ASP 36 HA -0.0166 0.0001 0.0031 122 ASP 36 HB2 -0.0128 -0.0015 0.0086 123 ASP 36 HB3 -0.0087 0.0015 0.0060 124 LEU 37 N -0.0062 0.0072 -0.0014 125 LEU 37 CA -0.0057 0.0075 -0.0028 126 LEU 37 C -0.0056 0.0076 -0.0035 127 LEU 37 O -0.0049 0.0076 -0.0029 128 LEU 37 CB -0.0044 0.0076 -0.0030 129 LEU 37 CG -0.0045 0.0076 -0.0028 130 LEU 37 CD1 -0.0055 0.0077 -0.0038 131 LEU 37 CD2 -0.0049 0.0073 -0.0013 132 LEU 37 H -0.0055 0.0071 -0.0006 133 LEU 37 HA -0.0066 0.0075 -0.0034 134 LEU 37 HB2 -0.0036 0.0076 -0.0022 135 LEU 37 HB3 -0.0039 0.0079 -0.0040 136 LEU 37 HG -0.0034 0.0077 -0.0030 137 LEU 37 HD11 -0.0055 0.0077 -0.0037 138 LEU 37 HD12 -0.0066 0.0076 -0.0037 139 LEU 37 HD13 -0.0052 0.0079 -0.0049 140 LEU 37 HD21 -0.0049 0.0073 -0.0012 141 LEU 37 HD22 -0.0041 0.0073 -0.0006 142 LEU 37 HD23 -0.0059 0.0072 -0.0010 143 PRO 38 N -0.0040 0.0045 -0.0005 144 PRO 38 CA -0.0022 0.0035 -0.0000 145 PRO 38 C -0.0014 0.0023 -0.0000 146 PRO 38 O -0.0024 0.0012 -0.0008 147 PRO 38 CB -0.0025 0.0021 -0.0006 148 PRO 38 CG -0.0043 0.0030 -0.0011 149 PRO 38 CD -0.0054 0.0040 -0.0013 150 PRO 38 HA -0.0012 0.0045 0.0007 151 PRO 38 HB2 -0.0026 0.0007 -0.0011 152 PRO 38 HB3 -0.0014 0.0021 -0.0001 153 PRO 38 HG2 -0.0050 0.0019 -0.0018 154 PRO 38 HG3 -0.0040 0.0041 -0.0007 155 PRO 38 HD2 -0.0062 0.0030 -0.0020 156 PRO 38 HD3 -0.0063 0.0053 -0.0013 157 GLY 39 N 0.0004 0.0024 0.0005 158 GLY 39 CA 0.0018 0.0017 0.0005 159 GLY 39 C 0.0011 0.0032 0.0010 160 GLY 39 O 0.0014 0.0025 0.0007 161 GLY 39 H 0.0012 0.0033 0.0011 162 GLY 39 HA2 0.0038 0.0018 0.0009 163 GLY 39 HA3 0.0015 -0.0000 -0.0004 164 GLY 40 N -0.0009 0.0095 -0.0054 165 GLY 40 CA -0.0008 0.0103 -0.0042 166 GLY 40 C -0.0012 0.0103 -0.0037 167 GLY 40 O -0.0010 0.0110 -0.0027 168 GLY 40 H -0.0014 0.0089 -0.0055 169 GLY 40 HA2 -0.0012 0.0103 -0.0036 170 GLY 40 HA3 0.0001 0.0109 -0.0043 171 GLY 41 N -0.0017 0.0046 -0.0021 172 GLY 41 CA -0.0030 0.0039 -0.0024 173 GLY 41 C -0.0034 0.0030 -0.0023 174 GLY 41 O -0.0045 0.0025 -0.0026 175 GLY 41 H -0.0009 0.0043 -0.0018 176 GLY 41 HA2 -0.0031 0.0033 -0.0023 177 GLY 41 HA3 -0.0038 0.0047 -0.0028 178 LEU 42 N -0.0016 0.0033 -0.0017 179 LEU 42 CA -0.0022 0.0017 -0.0015 180 LEU 42 C -0.0016 -0.0018 -0.0005 181 LEU 42 O -0.0024 -0.0035 -0.0002 182 LEU 42 CB -0.0000 0.0032 -0.0013 183 LEU 42 CG -0.0002 0.0067 -0.0022 184 LEU 42 CD1 0.0021 0.0079 -0.0019 185 LEU 42 CD2 -0.0035 0.0075 -0.0033 186 LEU 42 H 0.0005 0.0041 -0.0013 187 LEU 42 HA -0.0045 0.0020 -0.0022 188 LEU 42 HB2 0.0023 0.0029 -0.0005 189 LEU 42 HB3 -0.0005 0.0020 -0.0011 190 LEU 42 HG 0.0003 0.0080 -0.0024 191 LEU 42 HD11 0.0019 0.0104 -0.0026 192 LEU 42 HD12 0.0017 0.0067 -0.0017 193 LEU 42 HD13 0.0044 0.0076 -0.0012 194 LEU 42 HD21 -0.0041 0.0062 -0.0032 195 LEU 42 HD22 -0.0036 0.0099 -0.0040 196 LEU 42 HD23 -0.0051 0.0068 -0.0036 197 HIS 43 N -0.0008 -0.0039 0.0016 198 HIS 43 CA -0.0003 -0.0061 0.0016 199 HIS 43 C -0.0019 -0.0059 0.0001 200 HIS 43 O -0.0020 -0.0042 0.0004 201 HIS 43 CB 0.0017 -0.0060 0.0036 202 HIS 43 CG 0.0034 -0.0059 0.0054 203 HIS 43 ND1 0.0044 -0.0082 0.0059 204 HIS 43 CD2 0.0042 -0.0038 0.0067 205 HIS 43 CE1 0.0058 -0.0074 0.0075 206 HIS 43 NE2 0.0057 -0.0048 0.0080 207 HIS 43 H -0.0012 -0.0021 0.0017 208 HIS 43 HA -0.0002 -0.0080 0.0012 209 HIS 43 HB2 0.0015 -0.0043 0.0039 210 HIS 43 HB3 0.0020 -0.0078 0.0036 211 HIS 43 HD1 0.0042 -0.0100 0.0052 212 HIS 43 HD2 0.0037 -0.0016 0.0067 213 HIS 43 HE1 0.0069 -0.0088 0.0083 214 HIS 43 HE2 0.0064 -0.0037 0.0089 215 ARG 44 N -0.0023 -0.0026 -0.0002 216 ARG 44 CA -0.0024 -0.0032 0.0004 217 ARG 44 C -0.0031 -0.0041 0.0015 218 ARG 44 O -0.0040 -0.0042 0.0017 219 ARG 44 CB -0.0035 -0.0026 -0.0001 220 ARG 44 CG -0.0034 -0.0015 -0.0013 221 ARG 44 CD -0.0046 -0.0011 -0.0016 222 ARG 44 NE -0.0046 -0.0000 -0.0028 223 ARG 44 CZ -0.0055 0.0005 -0.0033 224 ARG 44 NH1 -0.0065 0.0000 -0.0027 225 ARG 44 NH2 -0.0054 0.0015 -0.0043 226 ARG 44 H -0.0032 -0.0025 -0.0003 227 ARG 44 HA -0.0014 -0.0032 0.0004 228 ARG 44 HB2 -0.0046 -0.0028 0.0002 229 ARG 44 HB3 -0.0033 -0.0030 0.0003 230 ARG 44 HG2 -0.0023 -0.0014 -0.0015 231 ARG 44 HG3 -0.0034 -0.0012 -0.0016 232 ARG 44 HD2 -0.0056 -0.0013 -0.0013 233 ARG 44 HD3 -0.0045 -0.0015 -0.0012 234 ARG 44 HE -0.0039 0.0003 -0.0032 235 ARG 44 HH11 -0.0066 -0.0007 -0.0019 236 ARG 44 HH12 -0.0072 0.0004 -0.0030 237 ARG 44 HH21 -0.0047 0.0019 -0.0048 238 ARG 44 HH22 -0.0061 0.0019 -0.0047 239 CYS 45 N 0.0015 -0.0032 0.0030 240 CYS 45 CA 0.0014 -0.0034 0.0032 241 CYS 45 C 0.0011 -0.0034 0.0034 242 CYS 45 O 0.0010 -0.0036 0.0035 243 CYS 45 CB 0.0015 -0.0038 0.0031 244 CYS 45 SG 0.0013 -0.0041 0.0033 245 CYS 45 H 0.0016 -0.0033 0.0030 246 CYS 45 HA 0.0014 -0.0033 0.0031 247 CYS 45 HB2 0.0017 -0.0038 0.0029 248 CYS 45 HB3 0.0016 -0.0040 0.0031 249 LEU 46 N -0.0001 0.0019 0.0032 250 LEU 46 CA -0.0020 0.0019 0.0105 251 LEU 46 C -0.0037 -0.0035 0.0131 252 LEU 46 O -0.0056 -0.0070 0.0178 253 LEU 46 CB -0.0013 0.0089 0.0136 254 LEU 46 CG 0.0004 0.0145 0.0117 255 LEU 46 CD1 0.0011 0.0214 0.0145 256 LEU 46 CD2 -0.0005 0.0131 0.0140 257 LEU 46 H 0.0012 0.0060 0.0011 258 LEU 46 HA -0.0026 0.0005 0.0119 259 LEU 46 HB2 -0.0006 0.0102 0.0120 260 LEU 46 HB3 -0.0026 0.0087 0.0189 261 LEU 46 HG 0.0017 0.0145 0.0063 262 LEU 46 HD11 0.0019 0.0225 0.0124 263 LEU 46 HD12 0.0022 0.0253 0.0133 264 LEU 46 HD13 -0.0003 0.0212 0.0199 265 LEU 46 HD21 -0.0009 0.0085 0.0116 266 LEU 46 HD22 -0.0019 0.0127 0.0194 267 LEU 46 HD23 0.0007 0.0173 0.0128 268 ALA 47 N 0.0025 -0.0015 0.0046 269 ALA 47 CA 0.0017 -0.0024 0.0040 270 ALA 47 C 0.0006 -0.0033 0.0039 271 ALA 47 O -0.0004 -0.0040 0.0037 272 ALA 47 CB 0.0024 -0.0027 0.0026 273 ALA 47 H 0.0034 -0.0012 0.0040 274 ALA 47 HA 0.0013 -0.0024 0.0046 275 ALA 47 HB1 0.0017 -0.0033 0.0022 276 ALA 47 HB2 0.0027 -0.0028 0.0019 277 ALA 47 HB3 0.0032 -0.0021 0.0026 278 CYS 48 N 0.0019 -0.0024 0.0022 279 CYS 48 CA 0.0025 -0.0008 0.0025 280 CYS 48 C 0.0024 0.0009 0.0018 281 CYS 48 O 0.0027 0.0023 0.0018 282 CYS 48 CB 0.0037 -0.0008 0.0041 283 CYS 48 SG 0.0038 -0.0024 0.0047 284 CYS 48 H 0.0021 -0.0027 0.0026 285 CYS 48 HA 0.0021 -0.0008 0.0019 286 CYS 48 HB2 0.0042 -0.0011 0.0048 287 CYS 48 HB3 0.0041 0.0004 0.0042 288 ALA 49 N 0.0013 0.0012 0.0061 289 ALA 49 CA 0.0016 0.0008 0.0050 290 ALA 49 C 0.0019 0.0006 0.0047 291 ALA 49 O 0.0024 0.0004 0.0039 292 ALA 49 CB 0.0026 0.0008 0.0049 293 ALA 49 H 0.0006 0.0012 0.0062 294 ALA 49 HA 0.0010 0.0006 0.0047 295 ALA 49 HB1 0.0032 0.0009 0.0053 296 ALA 49 HB2 0.0024 0.0009 0.0052 297 ALA 49 HB3 0.0028 0.0005 0.0042 298 ARG 50 N 0.0078 -0.0037 -0.0007 299 ARG 50 CA 0.0022 -0.0040 0.0017 300 ARG 50 C -0.0036 -0.0103 0.0032 301 ARG 50 O -0.0055 -0.0116 0.0038 302 ARG 50 CB -0.0011 0.0039 0.0048 303 ARG 50 CG 0.0043 0.0105 0.0036 304 ARG 50 CD 0.0006 0.0181 0.0068 305 ARG 50 NE 0.0057 0.0247 0.0058 306 ARG 50 CZ 0.0040 0.0322 0.0080 307 ARG 50 NH1 -0.0027 0.0340 0.0115 308 ARG 50 NH2 0.0091 0.0378 0.0068 309 ARG 50 H 0.0068 -0.0015 0.0001 310 ARG 50 HA 0.0047 -0.0056 0.0003 311 ARG 50 HB2 -0.0034 0.0055 0.0062 312 ARG 50 HB3 -0.0054 0.0031 0.0066 313 ARG 50 HG2 0.0065 0.0090 0.0023 314 ARG 50 HG3 0.0086 0.0114 0.0018 315 ARG 50 HD2 -0.0018 0.0196 0.0082 316 ARG 50 HD3 -0.0036 0.0172 0.0086 317 ARG 50 HE 0.0107 0.0233 0.0032 318 ARG 50 HH11 -0.0067 0.0299 0.0125 319 ARG 50 HH12 -0.0042 0.0394 0.0132 320 ARG 50 HH21 0.0142 0.0366 0.0042 321 ARG 50 HH22 0.0079 0.0434 0.0084 322 TYR 51 N -0.0023 -0.0010 0.0003 323 TYR 51 CA -0.0022 -0.0008 0.0002 324 TYR 51 C -0.0011 -0.0008 0.0011 325 TYR 51 O -0.0002 -0.0003 0.0013 326 TYR 51 CB -0.0021 0.0003 -0.0009 327 TYR 51 CG -0.0031 0.0005 -0.0018 328 TYR 51 CD1 -0.0030 0.0008 -0.0021 329 TYR 51 CD2 -0.0041 0.0003 -0.0024 330 TYR 51 CE1 -0.0039 0.0009 -0.0030 331 TYR 51 CE2 -0.0050 0.0004 -0.0033 332 TYR 51 CZ -0.0049 0.0007 -0.0036 333 TYR 51 OH -0.0058 0.0009 -0.0044 334 TYR 51 H -0.0017 -0.0004 0.0002 335 TYR 51 HA -0.0030 -0.0013 0.0001 336 TYR 51 HB2 -0.0013 0.0009 -0.0008 337 TYR 51 HB3 -0.0020 0.0005 -0.0010 338 TYR 51 HD1 -0.0023 0.0010 -0.0017 339 TYR 51 HD2 -0.0041 0.0000 -0.0022 340 TYR 51 HE1 -0.0039 0.0012 -0.0032 341 TYR 51 HE2 -0.0058 0.0002 -0.0037 342 TYR 51 HH -0.0055 0.0015 -0.0048 343 PHE 52 N -0.0002 -0.0054 0.0035 344 PHE 52 CA -0.0001 -0.0054 0.0035 345 PHE 52 C -0.0003 -0.0053 0.0027 346 PHE 52 O -0.0009 -0.0052 0.0023 347 PHE 52 CB -0.0005 -0.0052 0.0041 348 PHE 52 CG -0.0003 -0.0053 0.0050 349 PHE 52 CD1 -0.0006 -0.0052 0.0053 350 PHE 52 CD2 0.0002 -0.0054 0.0055 351 PHE 52 CE1 -0.0004 -0.0052 0.0061 352 PHE 52 CE2 0.0004 -0.0055 0.0062 353 PHE 52 CZ 0.0001 -0.0054 0.0065 354 PHE 52 H -0.0007 -0.0052 0.0035 355 PHE 52 HA 0.0006 -0.0056 0.0036 356 PHE 52 HB2 -0.0011 -0.0051 0.0040 357 PHE 52 HB3 -0.0004 -0.0053 0.0041 358 PHE 52 HD1 -0.0010 -0.0051 0.0049 359 PHE 52 HD2 0.0004 -0.0055 0.0052 360 PHE 52 HE1 -0.0007 -0.0052 0.0063 361 PHE 52 HE2 0.0008 -0.0056 0.0066 362 PHE 52 HZ 0.0002 -0.0054 0.0072 363 ILE 53 N 0.0000 -0.0040 0.0032 364 ILE 53 CA 0.0015 -0.0027 0.0045 365 ILE 53 C 0.0032 -0.0037 0.0049 366 ILE 53 O 0.0040 -0.0026 0.0058 367 ILE 53 CB 0.0023 -0.0020 0.0053 368 ILE 53 CG1 0.0033 -0.0039 0.0048 369 ILE 53 CG2 0.0006 -0.0007 0.0051 370 ILE 53 CD1 0.0042 -0.0034 0.0055 371 ILE 53 H -0.0001 -0.0044 0.0029 372 ILE 53 HA 0.0006 -0.0014 0.0048 373 ILE 53 HB 0.0034 -0.0012 0.0062 374 ILE 53 HG12 0.0022 -0.0048 0.0038 375 ILE 53 HG13 0.0045 -0.0048 0.0050 376 ILE 53 HG21 -0.0006 -0.0015 0.0041 377 ILE 53 HG22 -0.0000 0.0007 0.0055 378 ILE 53 HG23 0.0012 -0.0002 0.0056 379 ILE 53 HD11 0.0054 -0.0025 0.0065 380 ILE 53 HD12 0.0049 -0.0047 0.0052 381 ILE 53 HD13 0.0031 -0.0025 0.0054 382 ASP 54 N 0.0009 -0.0074 0.0061 383 ASP 54 CA 0.0023 -0.0082 0.0064 384 ASP 54 C 0.0031 -0.0088 0.0048 385 ASP 54 O 0.0024 -0.0085 0.0035 386 ASP 54 CB 0.0022 -0.0081 0.0072 387 ASP 54 CG 0.0036 -0.0089 0.0076 388 ASP 54 OD1 0.0042 -0.0092 0.0090 389 ASP 54 OD2 0.0041 -0.0093 0.0067 390 ASP 54 H 0.0005 -0.0072 0.0051 391 ASP 54 HA 0.0029 -0.0085 0.0073 392 ASP 54 HB2 0.0016 -0.0077 0.0083 393 ASP 54 HB3 0.0016 -0.0078 0.0063 394 SER 55 N 0.0033 -0.0087 0.0058 395 SER 55 CA 0.0049 -0.0083 0.0042 396 SER 55 C 0.0042 -0.0076 0.0021 397 SER 55 O 0.0046 -0.0072 0.0005 398 SER 55 CB 0.0071 -0.0085 0.0049 399 SER 55 OG 0.0087 -0.0081 0.0033 400 SER 55 H 0.0038 -0.0091 0.0070 401 SER 55 HA 0.0051 -0.0082 0.0040 402 SER 55 HB2 0.0076 -0.0090 0.0062 403 SER 55 HB3 0.0070 -0.0087 0.0053 404 SER 55 HG 0.0087 -0.0079 0.0024 405 THR 56 N 0.0043 -0.0056 0.0000 406 THR 56 CA 0.0030 -0.0057 -0.0054 407 THR 56 C 0.0007 -0.0094 -0.0048 408 THR 56 O 0.0007 -0.0084 -0.0071 409 THR 56 CB 0.0010 -0.0069 -0.0099 410 THR 56 OG1 0.0031 -0.0038 -0.0099 411 THR 56 CG2 -0.0000 -0.0063 -0.0158 412 THR 56 H 0.0037 -0.0067 0.0003 413 THR 56 HA 0.0050 -0.0020 -0.0067 414 THR 56 HB -0.0011 -0.0107 -0.0087 415 THR 56 HG1 0.0029 -0.0053 -0.0067 416 THR 56 HG21 -0.0014 -0.0073 -0.0189 417 THR 56 HG22 0.0022 -0.0025 -0.0170 418 THR 56 HG23 -0.0016 -0.0087 -0.0158 419 ASN 57 N 0.0025 -0.0092 -0.0025 420 ASN 57 CA 0.0012 -0.0110 -0.0021 421 ASN 57 C 0.0010 -0.0108 -0.0007 422 ASN 57 O 0.0003 -0.0119 -0.0011 423 ASN 57 CB 0.0002 -0.0120 -0.0010 424 ASN 57 CG -0.0000 -0.0130 -0.0026 425 ASN 57 OD1 -0.0008 -0.0146 -0.0034 426 ASN 57 ND2 0.0007 -0.0121 -0.0030 427 ASN 57 H 0.0026 -0.0088 -0.0017 428 ASN 57 HA 0.0011 -0.0118 -0.0036 429 ASN 57 HB2 0.0006 -0.0110 0.0001 430 ASN 57 HB3 -0.0007 -0.0129 -0.0001 431 ASN 57 HD21 0.0014 -0.0108 -0.0024 432 ASN 57 HD22 0.0006 -0.0128 -0.0040 433 LEU 58 N 0.0016 -0.0080 0.0022 434 LEU 58 CA 0.0019 -0.0077 0.0028 435 LEU 58 C 0.0024 -0.0071 0.0020 436 LEU 58 O 0.0023 -0.0071 0.0019 437 LEU 58 CB 0.0025 -0.0074 0.0038 438 LEU 58 CG 0.0030 -0.0069 0.0045 439 LEU 58 CD1 0.0037 -0.0060 0.0040 440 LEU 58 CD2 0.0027 -0.0073 0.0046 441 LEU 58 H 0.0017 -0.0079 0.0024 442 LEU 58 HA 0.0015 -0.0082 0.0030 443 LEU 58 HB2 0.0021 -0.0079 0.0043 444 LEU 58 HB3 0.0028 -0.0070 0.0036 445 LEU 58 HG 0.0032 -0.0069 0.0053 446 LEU 58 HD11 0.0041 -0.0057 0.0044 447 LEU 58 HD12 0.0036 -0.0060 0.0031 448 LEU 58 HD13 0.0040 -0.0057 0.0039 449 LEU 58 HD21 0.0025 -0.0073 0.0038 450 LEU 58 HD22 0.0031 -0.0070 0.0051 451 LEU 58 HD23 0.0022 -0.0079 0.0050 452 LYS 59 N 0.0023 -0.0056 0.0000 453 LYS 59 CA 0.0024 -0.0027 -0.0009 454 LYS 59 C 0.0016 -0.0035 -0.0025 455 LYS 59 O 0.0021 -0.0020 -0.0021 456 LYS 59 CB 0.0022 -0.0000 -0.0028 457 LYS 59 CG 0.0008 -0.0010 -0.0059 458 LYS 59 CD 0.0007 0.0017 -0.0075 459 LYS 59 CE 0.0009 0.0049 -0.0083 460 LYS 59 NZ -0.0001 0.0044 -0.0107 461 LYS 59 H 0.0019 -0.0059 -0.0007 462 LYS 59 HA 0.0035 -0.0017 0.0013 463 LYS 59 HB2 0.0024 0.0022 -0.0032 464 LYS 59 HB3 0.0028 0.0006 -0.0014 465 LYS 59 HG2 0.0005 -0.0032 -0.0055 466 LYS 59 HG3 0.0001 -0.0014 -0.0074 467 LYS 59 HD2 0.0014 0.0022 -0.0059 468 LYS 59 HD3 -0.0003 0.0008 -0.0095 469 LYS 59 HE2 0.0018 0.0057 -0.0063 470 LYS 59 HE3 0.0008 0.0067 -0.0093 471 LYS 59 HZ1 -0.0010 0.0037 -0.0128 472 LYS 59 HZ2 0.0001 0.0066 -0.0112 473 LYS 59 HZ3 -0.0002 0.0026 -0.0100 474 THR 60 N 0.0013 -0.0034 -0.0057 475 THR 60 CA 0.0006 -0.0048 -0.0073 476 THR 60 C 0.0028 -0.0067 -0.0031 477 THR 60 O 0.0029 -0.0060 -0.0028 478 THR 60 CB -0.0011 -0.0090 -0.0112 479 THR 60 OG1 -0.0031 -0.0070 -0.0151 480 THR 60 CG2 -0.0019 -0.0106 -0.0128 481 THR 60 H 0.0008 -0.0053 -0.0069 482 THR 60 HA -0.0001 -0.0014 -0.0086 483 THR 60 HB -0.0002 -0.0122 -0.0096 484 THR 60 HG1 -0.0027 -0.0069 -0.0142 485 THR 60 HG21 -0.0031 -0.0135 -0.0155 486 THR 60 HG22 -0.0027 -0.0072 -0.0142 487 THR 60 HG23 -0.0004 -0.0120 -0.0099 488 HIS 61 N 0.0025 -0.0043 0.0022 489 HIS 61 CA 0.0035 -0.0046 0.0032 490 HIS 61 C 0.0038 -0.0033 0.0042 491 HIS 61 O 0.0045 -0.0032 0.0050 492 HIS 61 CB 0.0042 -0.0056 0.0035 493 HIS 61 CG 0.0052 -0.0057 0.0046 494 HIS 61 ND1 0.0059 -0.0061 0.0052 495 HIS 61 CD2 0.0056 -0.0052 0.0054 496 HIS 61 CE1 0.0067 -0.0059 0.0062 497 HIS 61 NE2 0.0065 -0.0054 0.0064 498 HIS 61 H 0.0024 -0.0046 0.0018 499 HIS 61 HA 0.0036 -0.0050 0.0031 500 HIS 61 HB2 0.0042 -0.0066 0.0030 501 HIS 61 HB3 0.0039 -0.0054 0.0032 502 HIS 61 HD1 0.0058 -0.0065 0.0049 503 HIS 61 HD2 0.0053 -0.0047 0.0053 504 HIS 61 HE1 0.0073 -0.0061 0.0069 505 PHE 62 N 0.0034 -0.0015 -0.0001 506 PHE 62 CA 0.0038 -0.0006 0.0003 507 PHE 62 C 0.0033 0.0003 0.0004 508 PHE 62 O 0.0034 0.0010 0.0007 509 PHE 62 CB 0.0037 -0.0006 0.0003 510 PHE 62 CG 0.0041 -0.0015 0.0001 511 PHE 62 CD1 0.0050 -0.0019 0.0003 512 PHE 62 CD2 0.0035 -0.0020 -0.0002 513 PHE 62 CE1 0.0053 -0.0028 0.0001 514 PHE 62 CE2 0.0038 -0.0028 -0.0004 515 PHE 62 CZ 0.0048 -0.0032 -0.0002 516 PHE 62 H 0.0029 -0.0018 -0.0004 517 PHE 62 HA 0.0045 -0.0007 0.0005 518 PHE 62 HB2 0.0030 -0.0004 0.0001 519 PHE 62 HB3 0.0042 -0.0001 0.0006 520 PHE 62 HD1 0.0055 -0.0016 0.0005 521 PHE 62 HD2 0.0028 -0.0017 -0.0003 522 PHE 62 HE1 0.0061 -0.0031 0.0003 523 PHE 62 HE2 0.0034 -0.0032 -0.0006 524 PHE 62 HZ 0.0050 -0.0039 -0.0004 525 ARG 63 N 0.0067 0.0050 0.0021 526 ARG 63 CA 0.0043 0.0092 0.0059 527 ARG 63 C 0.0093 0.0126 0.0090 528 ARG 63 O 0.0081 0.0163 0.0123 529 ARG 63 CB 0.0007 0.0085 0.0052 530 ARG 63 CG -0.0050 0.0058 0.0028 531 ARG 63 CD -0.0085 0.0052 0.0022 532 ARG 63 NE -0.0101 0.0094 0.0060 533 ARG 63 CZ -0.0140 0.0099 0.0064 534 ARG 63 NH1 -0.0169 0.0064 0.0032 535 ARG 63 NH2 -0.0149 0.0139 0.0099 536 ARG 63 H 0.0071 0.0024 -0.0002 537 ARG 63 HA 0.0015 0.0104 0.0070 538 ARG 63 HB2 0.0034 0.0067 0.0037 539 ARG 63 HB3 -0.0006 0.0117 0.0081 540 ARG 63 HG2 -0.0077 0.0076 0.0044 541 ARG 63 HG3 -0.0038 0.0026 -0.0000 542 ARG 63 HD2 -0.0125 0.0034 0.0006 543 ARG 63 HD3 -0.0058 0.0033 0.0005 544 ARG 63 HE -0.0080 0.0121 0.0084 545 ARG 63 HH11 -0.0164 0.0033 0.0005 546 ARG 63 HH12 -0.0199 0.0066 0.0034 547 ARG 63 HH21 -0.0127 0.0166 0.0124 548 ARG 63 HH22 -0.0177 0.0144 0.0104 549 SER 64 N 0.0030 0.0066 0.0080 550 SER 64 CA 0.0043 0.0086 0.0073 551 SER 64 C 0.0049 0.0082 0.0066 552 SER 64 O 0.0057 0.0067 0.0051 553 SER 64 CB 0.0059 0.0089 0.0058 554 SER 64 OG 0.0054 0.0087 0.0063 555 SER 64 H 0.0033 0.0054 0.0071 556 SER 64 HA 0.0039 0.0102 0.0085 557 SER 64 HB2 0.0065 0.0075 0.0046 558 SER 64 HB3 0.0068 0.0106 0.0055 559 SER 64 HG 0.0051 0.0102 0.0072 560 LYS 65 N 0.0002 0.0112 0.0138 561 LYS 65 CA 0.0067 0.0088 0.0074 562 LYS 65 C 0.0077 0.0100 0.0013 563 LYS 65 O 0.0138 0.0068 -0.0016 564 LYS 65 CB 0.0074 0.0098 0.0028 565 LYS 65 CG 0.0007 0.0154 -0.0009 566 LYS 65 CD -0.0012 0.0189 -0.0080 567 LYS 65 CE -0.0078 0.0243 -0.0113 568 LYS 65 NZ -0.0100 0.0278 -0.0178 569 LYS 65 H -0.0036 0.0136 0.0142 570 LYS 65 HA 0.0111 0.0048 0.0108 571 LYS 65 HB2 0.0118 0.0084 -0.0024 572 LYS 65 HB3 0.0087 0.0076 0.0071 573 LYS 65 HG2 0.0018 0.0154 -0.0034 574 LYS 65 HG3 -0.0039 0.0170 0.0041 575 LYS 65 HD2 -0.0023 0.0189 -0.0057 576 LYS 65 HD3 0.0034 0.0173 -0.0130 577 LYS 65 HE2 -0.0065 0.0242 -0.0140 578 LYS 65 HE3 -0.0123 0.0257 -0.0061 579 LYS 65 HZ1 -0.0059 0.0266 -0.0229 580 LYS 65 HZ2 -0.0116 0.0281 -0.0154 581 LYS 65 HZ3 -0.0145 0.0315 -0.0200 582 ASP 66 N 0.0067 0.0096 0.0071 583 ASP 66 CA 0.0068 0.0104 0.0044 584 ASP 66 C 0.0081 0.0090 0.0059 585 ASP 66 O 0.0096 0.0087 0.0039 586 ASP 66 CB 0.0035 0.0129 0.0035 587 ASP 66 CG 0.0034 0.0140 0.0003 588 ASP 66 OD1 0.0038 0.0148 -0.0030 589 ASP 66 OD2 0.0030 0.0141 0.0009 590 ASP 66 H 0.0046 0.0106 0.0084 591 ASP 66 HA 0.0084 0.0101 0.0019 592 ASP 66 HB2 0.0024 0.0138 0.0029 593 ASP 66 HB3 0.0020 0.0132 0.0060 594 HIS 67 N 0.0077 0.0048 0.0039 595 HIS 67 CA 0.0082 0.0035 0.0031 596 HIS 67 C 0.0081 0.0027 0.0028 597 HIS 67 O 0.0090 0.0023 0.0022 598 HIS 67 CB 0.0074 0.0025 0.0031 599 HIS 67 CG 0.0078 0.0012 0.0023 600 HIS 67 ND1 0.0092 0.0010 0.0015 601 HIS 67 CD2 0.0072 0.0001 0.0021 602 HIS 67 CE1 0.0093 -0.0000 0.0010 603 HIS 67 NE2 0.0081 -0.0006 0.0013 604 HIS 67 H 0.0069 0.0050 0.0043 605 HIS 67 HA 0.0093 0.0036 0.0026 606 HIS 67 HB2 0.0075 0.0029 0.0032 607 HIS 67 HB3 0.0063 0.0022 0.0035 608 HIS 67 HD1 0.0099 0.0016 0.0014 609 HIS 67 HD2 0.0060 -0.0001 0.0026 610 HIS 67 HE1 0.0103 -0.0005 0.0004 611 LYS 68 N 0.0104 0.0010 0.0016 612 LYS 68 CA 0.0091 0.0006 0.0014 613 LYS 68 C 0.0097 0.0018 0.0024 614 LYS 68 O 0.0095 0.0014 0.0021 615 LYS 68 CB 0.0069 0.0006 0.0016 616 LYS 68 CG 0.0064 -0.0005 0.0007 617 LYS 68 CD 0.0041 -0.0005 0.0010 618 LYS 68 CE 0.0036 0.0010 0.0026 619 LYS 68 NZ 0.0015 0.0011 0.0030 620 LYS 68 H 0.0097 0.0014 0.0020 621 LYS 68 HA 0.0095 -0.0005 0.0002 622 LYS 68 HB2 0.0066 0.0017 0.0028 623 LYS 68 HB3 0.0059 0.0002 0.0014 624 LYS 68 HG2 0.0068 -0.0016 -0.0005 625 LYS 68 HG3 0.0073 -0.0001 0.0009 626 LYS 68 HD2 0.0031 -0.0008 0.0008 627 LYS 68 HD3 0.0037 -0.0013 0.0003 628 LYS 68 HE2 0.0047 0.0014 0.0028 629 LYS 68 HE3 0.0039 0.0018 0.0034 630 LYS 68 HZ1 0.0004 0.0007 0.0028 631 LYS 68 HZ2 0.0012 0.0021 0.0041 632 LYS 68 HZ3 0.0012 0.0003 0.0023 633 LYS 69 N 0.0107 0.0014 0.0072 634 LYS 69 CA 0.0108 0.0011 0.0015 635 LYS 69 C 0.0098 0.0020 -0.0010 636 LYS 69 O 0.0117 -0.0000 -0.0046 637 LYS 69 CB 0.0080 0.0039 -0.0001 638 LYS 69 CG 0.0068 0.0049 -0.0058 639 LYS 69 CD 0.0037 0.0081 -0.0062 640 LYS 69 CE 0.0019 0.0097 -0.0116 641 LYS 69 NZ -0.0012 0.0129 -0.0114 642 LYS 69 H 0.0090 0.0031 0.0091 643 LYS 69 HA 0.0136 -0.0018 0.0003 644 LYS 69 HB2 0.0092 0.0027 0.0009 645 LYS 69 HB3 0.0056 0.0064 0.0023 646 LYS 69 HG2 0.0058 0.0059 -0.0067 647 LYS 69 HG3 0.0091 0.0025 -0.0083 648 LYS 69 HD2 0.0048 0.0069 -0.0051 649 LYS 69 HD3 0.0016 0.0103 -0.0034 650 LYS 69 HE2 0.0009 0.0107 -0.0129 651 LYS 69 HE3 0.0039 0.0076 -0.0144 652 LYS 69 HZ1 -0.0026 0.0143 -0.0151 653 LYS 69 HZ2 -0.0031 0.0150 -0.0086 654 LYS 69 HZ3 -0.0003 0.0120 -0.0101 655 ARG 70 N 0.0094 -0.0015 0.0002 656 ARG 70 CA 0.0053 -0.0005 0.0024 657 ARG 70 C 0.0061 0.0031 0.0046 658 ARG 70 O 0.0035 0.0037 0.0059 659 ARG 70 CB 0.0030 0.0001 0.0035 660 ARG 70 CG -0.0015 0.0008 0.0055 661 ARG 70 CD -0.0042 -0.0023 0.0043 662 ARG 70 NE -0.0085 -0.0016 0.0062 663 ARG 70 CZ -0.0108 -0.0029 0.0061 664 ARG 70 NH1 -0.0093 -0.0050 0.0041 665 ARG 70 NH2 -0.0147 -0.0021 0.0079 666 ARG 70 H 0.0105 -0.0014 -0.0000 667 ARG 70 HA 0.0035 -0.0026 0.0014 668 ARG 70 HB2 0.0029 -0.0023 0.0019 669 ARG 70 HB3 0.0048 0.0024 0.0045 670 ARG 70 HG2 -0.0029 0.0011 0.0062 671 ARG 70 HG3 -0.0013 0.0033 0.0073 672 ARG 70 HD2 -0.0027 -0.0026 0.0035 673 ARG 70 HD3 -0.0045 -0.0048 0.0026 674 ARG 70 HE -0.0096 -0.0001 0.0076 675 ARG 70 HH11 -0.0064 -0.0057 0.0027 676 ARG 70 HH12 -0.0111 -0.0059 0.0040 677 ARG 70 HH21 -0.0159 -0.0005 0.0094 678 ARG 70 HH22 -0.0166 -0.0030 0.0080 679 LEU 71 N 0.0066 -0.0017 0.0025 680 LEU 71 CA 0.0056 -0.0007 0.0018 681 LEU 71 C 0.0043 0.0001 0.0029 682 LEU 71 O 0.0035 0.0007 0.0031 683 LEU 71 CB 0.0055 -0.0003 0.0001 684 LEU 71 CG 0.0068 -0.0010 -0.0011 685 LEU 71 CD1 0.0066 -0.0004 -0.0027 686 LEU 71 CD2 0.0072 -0.0013 -0.0012 687 LEU 71 H 0.0070 -0.0019 0.0020 688 LEU 71 HA 0.0058 -0.0008 0.0017 689 LEU 71 HB2 0.0053 -0.0001 0.0003 690 LEU 71 HB3 0.0048 0.0005 -0.0003 691 LEU 71 HG 0.0075 -0.0017 -0.0007 692 LEU 71 HD11 0.0058 0.0003 -0.0032 693 LEU 71 HD12 0.0063 -0.0002 -0.0026 694 LEU 71 HD13 0.0074 -0.0010 -0.0036 695 LEU 71 HD21 0.0075 -0.0018 -0.0001 696 LEU 71 HD22 0.0065 -0.0006 -0.0016 697 LEU 71 HD23 0.0081 -0.0018 -0.0021 698 LYS 72 N 0.0012 0.0015 0.0020 699 LYS 72 CA -0.0008 -0.0035 0.0014 700 LYS 72 C -0.0078 -0.0054 -0.0001 701 LYS 72 O -0.0116 -0.0062 -0.0010 702 LYS 72 CB 0.0037 -0.0096 0.0020 703 LYS 72 CG 0.0022 -0.0151 0.0015 704 LYS 72 CD 0.0071 -0.0207 0.0022 705 LYS 72 CE 0.0057 -0.0262 0.0017 706 LYS 72 NZ 0.0106 -0.0316 0.0024 707 LYS 72 H 0.0048 0.0004 0.0027 708 LYS 72 HA -0.0003 -0.0014 0.0016 709 LYS 72 HB2 0.0087 -0.0081 0.0031 710 LYS 72 HB3 0.0033 -0.0116 0.0019 711 LYS 72 HG2 -0.0025 -0.0170 0.0004 712 LYS 72 HG3 0.0024 -0.0131 0.0016 713 LYS 72 HD2 0.0119 -0.0188 0.0033 714 LYS 72 HD3 0.0069 -0.0227 0.0021 715 LYS 72 HE2 0.0010 -0.0282 0.0006 716 LYS 72 HE3 0.0057 -0.0241 0.0018 717 LYS 72 HZ1 0.0107 -0.0337 0.0024 718 LYS 72 HZ2 0.0152 -0.0298 0.0035 719 LYS 72 HZ3 0.0095 -0.0353 0.0020 720 GLN 73 N 0.0068 -0.0012 0.0015 721 GLN 73 CA 0.0054 -0.0013 0.0002 722 GLN 73 C 0.0054 -0.0011 0.0040 723 GLN 73 O 0.0067 -0.0011 0.0036 724 GLN 73 CB 0.0011 -0.0015 -0.0018 725 GLN 73 CG 0.0008 -0.0017 -0.0058 726 GLN 73 CD -0.0036 -0.0019 -0.0075 727 GLN 73 OE1 -0.0067 -0.0018 -0.0052 728 GLN 73 NE2 -0.0039 -0.0021 -0.0116 729 GLN 73 H 0.0048 -0.0012 0.0014 730 GLN 73 HA 0.0077 -0.0013 -0.0021 731 GLN 73 HB2 -0.0011 -0.0014 0.0005 732 GLN 73 HB3 0.0001 -0.0015 -0.0026 733 GLN 73 HG2 0.0029 -0.0018 -0.0081 734 GLN 73 HG3 0.0019 -0.0016 -0.0050 735 GLN 73 HE21 -0.0013 -0.0021 -0.0132 736 GLN 73 HE22 -0.0067 -0.0022 -0.0130 737 LEU 74 N 0.0042 0.0004 0.0119 738 LEU 74 CA 0.0042 -0.0001 0.0163 739 LEU 74 C 0.0059 0.0047 0.0176 740 LEU 74 O 0.0063 0.0051 0.0217 741 LEU 74 CB 0.0028 -0.0041 0.0154 742 LEU 74 CG 0.0026 -0.0056 0.0199 743 LEU 74 CD1 0.0022 -0.0072 0.0244 744 LEU 74 CD2 0.0011 -0.0096 0.0183 745 LEU 74 H 0.0037 -0.0007 0.0087 746 LEU 74 HA 0.0041 -0.0011 0.0195 747 LEU 74 HB2 0.0017 -0.0072 0.0141 748 LEU 74 HB3 0.0032 -0.0028 0.0124 749 LEU 74 HG 0.0036 -0.0026 0.0210 750 LEU 74 HD11 0.0020 -0.0083 0.0275 751 LEU 74 HD12 0.0012 -0.0102 0.0234 752 LEU 74 HD13 0.0033 -0.0043 0.0257 753 LEU 74 HD21 0.0001 -0.0127 0.0172 754 LEU 74 HD22 0.0010 -0.0106 0.0215 755 LEU 74 HD23 0.0014 -0.0084 0.0152 756 SER 75 N -0.0009 0.0000 0.0133 757 SER 75 CA -0.0054 0.0049 0.0113 758 SER 75 C -0.0055 0.0047 0.0044 759 SER 75 O -0.0086 0.0080 0.0024 760 SER 75 CB -0.0074 0.0073 0.0165 761 SER 75 OG -0.0119 0.0121 0.0150 762 SER 75 H -0.0001 -0.0008 0.0131 763 SER 75 HA -0.0074 0.0070 0.0110 764 SER 75 HB2 -0.0073 0.0074 0.0212 765 SER 75 HB3 -0.0055 0.0052 0.0169 766 SER 75 HG -0.0136 0.0141 0.0189 767 VAL 76 N -0.0030 0.0037 0.0042 768 VAL 76 CA -0.0025 0.0040 0.0006 769 VAL 76 C -0.0046 0.0057 -0.0012 770 VAL 76 O -0.0062 0.0072 -0.0030 771 VAL 76 CB 0.0006 0.0022 -0.0007 772 VAL 76 CG1 0.0011 0.0026 -0.0046 773 VAL 76 CG2 0.0027 0.0005 0.0009 774 VAL 76 H -0.0015 0.0025 0.0055 775 VAL 76 HA -0.0029 0.0044 -0.0000 776 VAL 76 HB 0.0009 0.0019 -0.0001 777 VAL 76 HG11 0.0032 0.0013 -0.0054 778 VAL 76 HG12 0.0007 0.0029 -0.0053 779 VAL 76 HG13 -0.0004 0.0037 -0.0057 780 VAL 76 HG21 0.0048 -0.0008 -0.0000 781 VAL 76 HG22 0.0024 0.0002 0.0036 782 VAL 76 HG23 0.0024 0.0008 0.0003 783 GLU 77 N -0.0063 0.0029 -0.0040 784 GLU 77 CA -0.0069 0.0035 -0.0045 785 GLU 77 C -0.0073 0.0020 -0.0023 786 GLU 77 O -0.0053 0.0007 -0.0014 787 GLU 77 CB -0.0046 0.0043 -0.0065 788 GLU 77 CG -0.0016 0.0030 -0.0062 789 GLU 77 CD 0.0005 0.0038 -0.0081 790 GLU 77 OE1 0.0011 0.0051 -0.0101 791 GLU 77 OE2 0.0016 0.0031 -0.0077 792 GLU 77 H -0.0051 0.0016 -0.0028 793 GLU 77 HA -0.0089 0.0046 -0.0052 794 GLU 77 HB2 -0.0050 0.0045 -0.0066 795 GLU 77 HB3 -0.0048 0.0056 -0.0082 796 GLU 77 HG2 -0.0011 0.0028 -0.0061 797 GLU 77 HG3 -0.0014 0.0017 -0.0045 798 PRO 78 N -0.0137 0.0036 -0.0018 799 PRO 78 CA -0.0133 -0.0027 0.0005 800 PRO 78 C -0.0061 -0.0008 -0.0029 801 PRO 78 O -0.0062 0.0066 -0.0058 802 PRO 78 CB -0.0224 -0.0009 0.0032 803 PRO 78 CG -0.0280 0.0042 0.0034 804 PRO 78 CD -0.0221 0.0094 -0.0008 805 PRO 78 HA -0.0121 -0.0094 0.0025 806 PRO 78 HB2 -0.0218 0.0028 0.0016 807 PRO 78 HB3 -0.0248 -0.0070 0.0065 808 PRO 78 HG2 -0.0331 0.0086 0.0036 809 PRO 78 HG3 -0.0310 -0.0001 0.0062 810 PRO 78 HD2 -0.0214 0.0155 -0.0034 811 PRO 78 HD3 -0.0244 0.0105 -0.0003 812 TYR 79 N -0.0028 -0.0090 -0.0110 813 TYR 79 CA 0.0019 -0.0100 -0.0077 814 TYR 79 C 0.0004 -0.0058 -0.0010 815 TYR 79 O 0.0026 -0.0044 0.0042 816 TYR 79 CB 0.0090 -0.0137 -0.0070 817 TYR 79 CG 0.0109 -0.0181 -0.0136 818 TYR 79 CD1 0.0100 -0.0192 -0.0168 819 TYR 79 CD2 0.0133 -0.0210 -0.0166 820 TYR 79 CE1 0.0116 -0.0232 -0.0229 821 TYR 79 CE2 0.0149 -0.0250 -0.0227 822 TYR 79 CZ 0.0141 -0.0261 -0.0258 823 TYR 79 OH 0.0156 -0.0300 -0.0319 824 TYR 79 H -0.0059 -0.0093 -0.0151 825 TYR 79 HA 0.0010 -0.0111 -0.0107 826 TYR 79 HB2 0.0098 -0.0128 -0.0043 827 TYR 79 HB3 0.0122 -0.0141 -0.0042 828 TYR 79 HD1 0.0081 -0.0170 -0.0145 829 TYR 79 HD2 0.0140 -0.0202 -0.0142 830 TYR 79 HE1 0.0109 -0.0240 -0.0253 831 TYR 79 HE2 0.0169 -0.0272 -0.0250 832 TYR 79 HH 0.0137 -0.0303 -0.0346 833 SER 80 N -0.0040 -0.0051 -0.0024 834 SER 80 CA -0.0030 -0.0047 -0.0032 835 SER 80 C -0.0039 -0.0047 -0.0015 836 SER 80 O -0.0057 -0.0052 -0.0000 837 SER 80 CB -0.0005 -0.0033 -0.0033 838 SER 80 OG 0.0008 -0.0029 -0.0043 839 SER 80 H -0.0036 -0.0043 -0.0010 840 SER 80 HA -0.0033 -0.0055 -0.0051 841 SER 80 HB2 0.0001 -0.0033 -0.0043 842 SER 80 HB3 -0.0001 -0.0025 -0.0014 843 SER 80 HG 0.0009 -0.0034 -0.0060 844 GLN 81 N -0.0081 -0.0031 -0.0025 845 GLN 81 CA -0.0076 -0.0031 -0.0018 846 GLN 81 C -0.0070 -0.0034 0.0006 847 GLN 81 O -0.0062 -0.0033 0.0013 848 GLN 81 CB -0.0059 -0.0024 -0.0030 849 GLN 81 CG -0.0056 -0.0024 -0.0025 850 GLN 81 CD -0.0038 -0.0017 -0.0034 851 GLN 81 OE1 -0.0022 -0.0011 -0.0038 852 GLN 81 NE2 -0.0040 -0.0016 -0.0039 853 GLN 81 H -0.0072 -0.0027 -0.0034 854 GLN 81 HA -0.0090 -0.0035 -0.0020 855 GLN 81 HB2 -0.0062 -0.0022 -0.0046 856 GLN 81 HB3 -0.0045 -0.0020 -0.0025 857 GLN 81 HG2 -0.0054 -0.0026 -0.0008 858 GLN 81 HG3 -0.0070 -0.0027 -0.0030 859 GLN 81 HE21 -0.0052 -0.0021 -0.0036 860 GLN 81 HE22 -0.0028 -0.0012 -0.0045 861 GLU 82 N -0.0078 -0.0041 -0.0023 862 GLU 82 CA -0.0071 -0.0048 0.0011 863 GLU 82 C -0.0099 -0.0057 0.0030 864 GLU 82 O -0.0099 -0.0064 0.0058 865 GLU 82 CB -0.0038 -0.0045 0.0022 866 GLU 82 CG -0.0029 -0.0052 0.0056 867 GLU 82 CD 0.0004 -0.0049 0.0064 868 GLU 82 OE1 0.0009 -0.0050 0.0069 869 GLU 82 OE2 0.0026 -0.0046 0.0066 870 GLU 82 H -0.0086 -0.0039 -0.0035 871 GLU 82 HA -0.0072 -0.0048 0.0012 872 GLU 82 HB2 -0.0021 -0.0039 0.0008 873 GLU 82 HB3 -0.0038 -0.0045 0.0019 874 GLU 82 HG2 -0.0045 -0.0059 0.0071 875 GLU 82 HG3 -0.0030 -0.0053 0.0059 876 GLU 83 N -0.0133 -0.0062 0.0034 877 GLU 83 CA -0.0131 -0.0073 0.0026 878 GLU 83 C -0.0147 -0.0119 0.0020 879 GLU 83 O -0.0168 -0.0133 0.0039 880 GLU 83 CB -0.0098 -0.0058 -0.0006 881 GLU 83 CG -0.0094 -0.0067 -0.0016 882 GLU 83 CD -0.0062 -0.0048 -0.0045 883 GLU 83 OE1 -0.0044 -0.0062 -0.0075 884 GLU 83 OE2 -0.0055 -0.0016 -0.0037 885 GLU 83 H -0.0126 -0.0076 0.0018 886 GLU 83 HA -0.0142 -0.0058 0.0048 887 GLU 83 HB2 -0.0089 -0.0025 0.0001 888 GLU 83 HB3 -0.0087 -0.0071 -0.0027 889 GLU 83 HG2 -0.0101 -0.0100 -0.0026 890 GLU 83 HG3 -0.0107 -0.0056 0.0006 891 ALA 84 N -0.0136 -0.0074 -0.0016 892 ALA 84 CA -0.0170 -0.0094 -0.0039 893 ALA 84 C -0.0189 -0.0113 -0.0064 894 ALA 84 O -0.0208 -0.0135 -0.0092 895 ALA 84 CB -0.0151 -0.0107 -0.0062 896 ALA 84 H -0.0106 -0.0078 -0.0027 897 ALA 84 HA -0.0198 -0.0084 -0.0021 898 ALA 84 HB1 -0.0177 -0.0122 -0.0079 899 ALA 84 HB2 -0.0123 -0.0116 -0.0079 900 ALA 84 HB3 -0.0142 -0.0093 -0.0044 901 GLU 85 N -0.0172 -0.0025 -0.0052 902 GLU 85 CA -0.0142 -0.0011 -0.0068 903 GLU 85 C -0.0109 -0.0031 -0.0049 904 GLU 85 O -0.0089 -0.0036 -0.0046 905 GLU 85 CB -0.0135 0.0014 -0.0094 906 GLU 85 CG -0.0109 0.0033 -0.0116 907 GLU 85 CD -0.0067 0.0024 -0.0109 908 GLU 85 OE1 -0.0045 0.0028 -0.0115 909 GLU 85 OE2 -0.0055 0.0012 -0.0098 910 GLU 85 H -0.0165 -0.0043 -0.0034 911 GLU 85 HA -0.0150 -0.0005 -0.0073 912 GLU 85 HB2 -0.0161 0.0024 -0.0103 913 GLU 85 HB3 -0.0121 0.0006 -0.0087 914 GLU 85 HG2 -0.0120 0.0033 -0.0114 915 GLU 85 HG3 -0.0113 0.0052 -0.0135 916 ARG 86 N -0.0147 0.0046 -0.0103 917 ARG 86 CA -0.0150 0.0038 -0.0116 918 ARG 86 C -0.0118 0.0039 -0.0086 919 ARG 86 O -0.0082 0.0032 -0.0064 920 ARG 86 CB -0.0149 0.0002 -0.0161 921 ARG 86 CG -0.0115 -0.0030 -0.0170 922 ARG 86 CD -0.0069 -0.0042 -0.0145 923 ARG 86 NE -0.0038 -0.0070 -0.0152 924 ARG 86 CZ 0.0004 -0.0082 -0.0130 925 ARG 86 NH1 0.0022 -0.0070 -0.0099 926 ARG 86 NH2 0.0028 -0.0106 -0.0139 927 ARG 86 H -0.0119 0.0032 -0.0096 928 ARG 86 HA -0.0181 0.0059 -0.0117 929 ARG 86 HB2 -0.0144 -0.0007 -0.0166 930 ARG 86 HB3 -0.0181 0.0007 -0.0182 931 ARG 86 HG2 -0.0120 -0.0052 -0.0202 932 ARG 86 HG3 -0.0120 -0.0022 -0.0164 933 ARG 86 HD2 -0.0064 -0.0020 -0.0112 934 ARG 86 HD3 -0.0063 -0.0053 -0.0154 935 ARG 86 HE -0.0051 -0.0080 -0.0176 936 ARG 86 HH11 0.0006 -0.0052 -0.0090 937 ARG 86 HH12 0.0054 -0.0078 -0.0081 938 ARG 86 HH21 0.0016 -0.0116 -0.0162 939 ARG 86 HH22 0.0060 -0.0115 -0.0123 940 ALA 87 N -0.0026 0.0046 -0.0118 941 ALA 87 CA 0.0076 0.0039 -0.0206 942 ALA 87 C 0.0066 -0.0027 -0.0026 943 ALA 87 O 0.0213 -0.0093 -0.0011 944 ALA 87 CB 0.0306 -0.0020 -0.0294 945 ALA 87 H 0.0056 -0.0021 -0.0031 946 ALA 87 HA -0.0007 0.0122 -0.0332 947 ALA 87 HB1 0.0387 -0.0102 -0.0168 948 ALA 87 HB2 0.0310 0.0028 -0.0421 949 ALA 87 HB3 0.0383 -0.0027 -0.0355 950 ALA 88 N -0.0171 0.0110 0.0013 951 ALA 88 CA -0.0144 0.0090 -0.0077 952 ALA 88 C -0.0021 -0.0046 -0.0062 953 ALA 88 O 0.0055 -0.0118 -0.0169 954 ALA 88 CB -0.0169 0.0139 -0.0259 955 ALA 88 H -0.0119 0.0055 -0.0004 956 ALA 88 HA -0.0196 0.0141 -0.0019 957 ALA 88 HB1 -0.0117 0.0088 -0.0318 958 ALA 88 HB2 -0.0257 0.0237 -0.0265 959 ALA 88 HB3 -0.0150 0.0125 -0.0321 960 GLY 89 N 0.0377 -0.0084 0.0165 961 GLY 89 CA 0.0445 -0.0183 0.0194 962 GLY 89 C 0.0353 -0.0192 0.0314 963 GLY 89 O 0.0267 -0.0092 0.0306 964 GLY 89 H 0.0288 -0.0051 0.0235 965 GLY 89 HA2 0.0497 -0.0157 0.0102 966 GLY 89 HA3 0.0511 -0.0280 0.0222 967 MET 90 N -0.0051 -0.0026 0.0212 968 MET 90 CA -0.0134 -0.0035 0.0174 969 MET 90 C -0.0300 -0.0002 0.0421 970 MET 90 O -0.0186 0.0035 0.0629 971 MET 90 CB 0.0118 -0.0035 0.0112 972 MET 90 CG 0.0053 -0.0053 0.0013 973 MET 90 SD -0.0135 -0.0022 0.0253 974 MET 90 CE -0.0141 -0.0051 0.0074 975 MET 90 H -0.0122 -0.0049 0.0081 976 MET 90 HA -0.0272 -0.0067 0.0002 977 MET 90 HB2 0.0242 -0.0055 -0.0044 978 MET 90 HB3 0.0239 -0.0002 0.0295 979 MET 90 HG2 -0.0069 -0.0087 -0.0171 980 MET 90 HG3 0.0246 -0.0054 -0.0038 981 MET 90 HE1 -0.0247 -0.0085 -0.0117 982 MET 90 HE2 -0.0248 -0.0035 0.0196 983 MET 90 HE3 0.0067 -0.0049 0.0036 984 GLY 91 N -0.0019 0.0251 -0.0059 985 GLY 91 CA -0.0089 0.0445 -0.0116 986 GLY 91 C -0.0252 0.0353 -0.0106 987 GLY 91 O -0.0181 0.0351 -0.0099 988 GLY 91 H 0.0068 0.0116 -0.0016 989 GLY 91 HA2 -0.0186 0.0575 -0.0158 990 GLY 91 HA3 0.0073 0.0527 -0.0123 991 SER 92 N -0.0026 0.0697 -0.0768 992 SER 92 CA -0.0038 0.0503 -0.0432 993 SER 92 C -0.0313 0.0680 -0.0522 994 SER 92 O -0.0730 0.0877 -0.0539 995 SER 92 CB -0.0249 0.0333 0.0014 996 SER 92 OG 0.0016 0.0171 0.0087 997 SER 92 H -0.0321 0.0850 -0.0802 998 SER 92 HA 0.0317 0.0344 -0.0432 999 SER 92 HB2 -0.0605 0.0491 0.0018 1000 SER 92 HB3 -0.0242 0.0178 0.0271 1001 SER 92 HG 0.0220 0.0246 -0.0193 1002 TYR 93 N 0.0355 -0.0586 0.1238 1003 TYR 93 CA 0.0150 -0.0451 0.1210 1004 TYR 93 C 0.0193 -0.0733 0.1648 1005 TYR 93 O 0.0477 -0.1029 0.1872 1006 TYR 93 CB 0.0431 -0.0343 0.0751 1007 TYR 93 CG 0.0215 -0.0150 0.0634 1008 TYR 93 CD1 -0.0118 0.0198 0.0371 1009 TYR 93 CD2 0.0345 -0.0314 0.0786 1010 TYR 93 CE1 -0.0319 0.0377 0.0263 1011 TYR 93 CE2 0.0145 -0.0136 0.0679 1012 TYR 93 CZ -0.0185 0.0208 0.0418 1013 TYR 93 OH -0.0387 0.0386 0.0314 1014 TYR 93 H 0.0699 -0.0768 0.1211 1015 TYR 93 HA -0.0217 -0.0236 0.1205 1016 TYR 93 HB2 0.0456 -0.0183 0.0455 1017 TYR 93 HB3 0.0785 -0.0567 0.0783 1018 TYR 93 HD1 -0.0222 0.0329 0.0249 1019 TYR 93 HD2 0.0605 -0.0586 0.0992 1020 TYR 93 HE1 -0.0579 0.0648 0.0057 1021 TYR 93 HE2 0.0249 -0.0267 0.0800 1022 TYR 93 HH -0.0492 0.0274 0.0608 1023 VAL 94 N -0.0572 0.0462 -0.2505 1024 VAL 94 CA -0.0127 0.0047 -0.1431 1025 VAL 94 C 0.0495 -0.1093 -0.1586 1026 VAL 94 O 0.0751 -0.1649 -0.1910 1027 VAL 94 CB -0.0141 0.0370 -0.0545 1028 VAL 94 CG1 -0.0056 0.0079 -0.0968 1029 VAL 94 CG2 0.0314 -0.0045 0.0575 1030 VAL 94 H -0.0797 0.0811 -0.2635 1031 VAL 94 HA -0.0240 0.0349 -0.1118 1032 VAL 94 HB -0.0572 0.1171 -0.0408 1033 VAL 94 HG11 -0.0070 0.0319 -0.0330 1034 VAL 94 HG12 0.0365 -0.0718 -0.1149 1035 VAL 94 HG13 -0.0404 0.0432 -0.1723 1036 VAL 94 HG21 0.0748 -0.0846 0.0452 1037 VAL 94 HG22 0.0297 0.0185 0.1167 1038 VAL 94 HG23 0.0218 0.0233 0.0903