1 ASP 28 N 0.0000 -0.0084 0.0011 2 ASP 28 CA 0.0009 -0.0093 -0.0013 3 ASP 28 C 0.0030 -0.0070 -0.0032 4 ASP 28 O 0.0039 -0.0062 -0.0042 5 ASP 28 CB 0.0003 -0.0125 -0.0030 6 ASP 28 CG 0.0011 -0.0135 -0.0054 7 ASP 28 OD1 0.0006 -0.0140 -0.0048 8 ASP 28 OD2 0.0023 -0.0141 -0.0080 9 ASP 28 H -0.0015 -0.0100 0.0024 10 ASP 28 HA 0.0003 -0.0093 -0.0002 11 ASP 28 HB2 -0.0012 -0.0141 -0.0016 12 ASP 28 HB3 0.0009 -0.0125 -0.0040 13 PRO 29 N -0.0101 -0.0168 0.0152 14 PRO 29 CA 0.0010 -0.0145 0.0149 15 PRO 29 C 0.0168 -0.0308 0.0202 16 PRO 29 O 0.0290 -0.0353 0.0219 17 PRO 29 CB 0.0121 0.0057 0.0092 18 PRO 29 CG 0.0016 0.0162 0.0057 19 PRO 29 CD -0.0065 0.0003 0.0102 20 PRO 29 HA -0.0097 -0.0142 0.0145 21 PRO 29 HB2 0.0283 0.0029 0.0105 22 PRO 29 HB3 0.0107 0.0137 0.0067 23 PRO 29 HG2 0.0127 0.0256 0.0033 24 PRO 29 HG3 -0.0110 0.0250 0.0027 25 PRO 29 HD2 0.0048 -0.0031 0.0116 26 PRO 29 HD3 -0.0209 0.0052 0.0084 27 ASN 30 N 0.0005 0.0008 -0.0211 28 ASN 30 CA 0.0010 -0.0015 -0.0115 29 ASN 30 C 0.0004 0.0070 -0.0156 30 ASN 30 O 0.0002 0.0184 -0.0098 31 ASN 30 CB 0.0016 0.0010 0.0037 32 ASN 30 CG 0.0022 -0.0008 0.0148 33 ASN 30 OD1 0.0030 -0.0123 0.0201 34 ASN 30 ND2 0.0018 0.0104 0.0186 35 ASN 30 H 0.0007 -0.0075 -0.0251 36 ASN 30 HA 0.0015 -0.0125 -0.0126 37 ASN 30 HB2 0.0020 -0.0064 0.0060 38 ASN 30 HB3 0.0011 0.0116 0.0036 39 ASN 30 HD21 0.0012 0.0195 0.0142 40 ASN 30 HD22 0.0022 0.0094 0.0256 41 ALA 31 N -0.0011 0.0096 -0.0187 42 ALA 31 CA -0.0008 0.0090 -0.0178 43 ALA 31 C -0.0031 0.0064 -0.0182 44 ALA 31 O -0.0049 0.0067 -0.0204 45 ALA 31 CB -0.0002 0.0115 -0.0193 46 ALA 31 H -0.0027 0.0087 -0.0197 47 ALA 31 HA 0.0007 0.0085 -0.0158 48 ALA 31 HB1 0.0001 0.0110 -0.0186 49 ALA 31 HB2 -0.0016 0.0119 -0.0214 50 ALA 31 HB3 0.0015 0.0133 -0.0190 51 GLU 32 N -0.0063 0.0035 -0.0037 52 GLU 32 CA -0.0105 0.0068 0.0043 53 GLU 32 C -0.0063 0.0024 0.0118 54 GLU 32 O -0.0082 0.0035 0.0197 55 GLU 32 CB -0.0160 0.0120 0.0028 56 GLU 32 CG -0.0139 0.0103 0.0002 57 GLU 32 CD -0.0197 0.0157 -0.0009 58 GLU 32 OE1 -0.0221 0.0174 0.0058 59 GLU 32 OE2 -0.0220 0.0184 -0.0084 60 GLU 32 H -0.0064 0.0040 -0.0080 61 GLU 32 HA -0.0124 0.0085 0.0058 62 GLU 32 HB2 -0.0191 0.0144 0.0089 63 GLU 32 HB3 -0.0188 0.0150 -0.0026 64 GLU 32 HG2 -0.0110 0.0081 -0.0061 65 GLU 32 HG3 -0.0109 0.0071 0.0054 66 PHE 33 N -0.0085 -0.0068 0.0054 67 PHE 33 CA -0.0060 -0.0097 0.0084 68 PHE 33 C -0.0046 -0.0075 0.0065 69 PHE 33 O -0.0049 -0.0036 0.0027 70 PHE 33 CB -0.0003 -0.0112 0.0104 71 PHE 33 CG 0.0040 -0.0076 0.0073 72 PHE 33 CD1 0.0079 -0.0057 0.0058 73 PHE 33 CD2 0.0040 -0.0061 0.0059 74 PHE 33 CE1 0.0117 -0.0023 0.0030 75 PHE 33 CE2 0.0078 -0.0028 0.0031 76 PHE 33 CZ 0.0117 -0.0009 0.0016 77 PHE 33 H -0.0061 -0.0045 0.0034 78 PHE 33 HA -0.0090 -0.0124 0.0107 79 PHE 33 HB2 0.0019 -0.0131 0.0124 80 PHE 33 HB3 -0.0014 -0.0131 0.0121 81 PHE 33 HD1 0.0079 -0.0068 0.0069 82 PHE 33 HD2 0.0010 -0.0076 0.0070 83 PHE 33 HE1 0.0147 -0.0009 0.0019 84 PHE 33 HE2 0.0078 -0.0017 0.0020 85 PHE 33 HZ 0.0147 0.0017 -0.0006 86 ASP 34 N -0.0009 -0.0144 0.0094 87 ASP 34 CA 0.0011 -0.0127 0.0078 88 ASP 34 C 0.0029 -0.0111 0.0095 89 ASP 34 O 0.0029 -0.0109 0.0122 90 ASP 34 CB 0.0017 -0.0122 0.0075 91 ASP 34 CG 0.0037 -0.0106 0.0056 92 ASP 34 OD1 0.0055 -0.0090 0.0066 93 ASP 34 OD2 0.0034 -0.0108 0.0031 94 ASP 34 H -0.0012 -0.0145 0.0111 95 ASP 34 HA 0.0010 -0.0128 0.0058 96 ASP 34 HB2 0.0003 -0.0134 0.0065 97 ASP 34 HB3 0.0020 -0.0119 0.0096 98 PRO 35 N 0.0095 -0.0001 0.0011 99 PRO 35 CA 0.0160 0.0035 0.0046 100 PRO 35 C 0.0182 0.0054 0.0053 101 PRO 35 O 0.0237 0.0086 0.0080 102 PRO 35 CB 0.0177 0.0095 0.0011 103 PRO 35 CG 0.0125 0.0108 -0.0054 104 PRO 35 CD 0.0070 0.0043 -0.0053 105 PRO 35 HA 0.0182 0.0009 0.0092 106 PRO 35 HB2 0.0219 0.0134 0.0019 107 PRO 35 HB3 0.0182 0.0085 0.0024 108 PRO 35 HG2 0.0131 0.0135 -0.0072 109 PRO 35 HG3 0.0122 0.0134 -0.0081 110 PRO 35 HD2 0.0040 0.0043 -0.0084 111 PRO 35 HD3 0.0047 0.0028 -0.0064 112 ASP 36 N 0.0012 -0.0174 0.0112 113 ASP 36 CA 0.0050 -0.0058 0.0089 114 ASP 36 C 0.0045 0.0036 0.0095 115 ASP 36 O 0.0028 0.0144 0.0110 116 ASP 36 CB 0.0157 -0.0069 0.0014 117 ASP 36 CG 0.0202 0.0050 -0.0014 118 ASP 36 OD1 0.0175 0.0091 0.0006 119 ASP 36 OD2 0.0266 0.0105 -0.0057 120 ASP 36 H 0.0055 -0.0223 0.0080 121 ASP 36 HA 0.0004 -0.0032 0.0122 122 ASP 36 HB2 0.0158 -0.0133 0.0011 123 ASP 36 HB3 0.0202 -0.0102 -0.0019 124 LEU 37 N 0.0025 -0.0010 0.0071 125 LEU 37 CA 0.0025 0.0003 0.0070 126 LEU 37 C 0.0006 0.0003 0.0094 127 LEU 37 O -0.0004 -0.0020 0.0109 128 LEU 37 CB 0.0041 -0.0015 0.0051 129 LEU 37 CG 0.0063 -0.0009 0.0023 130 LEU 37 CD1 0.0067 0.0026 0.0016 131 LEU 37 CD2 0.0069 -0.0020 0.0016 132 LEU 37 H 0.0027 -0.0032 0.0070 133 LEU 37 HA 0.0029 0.0027 0.0063 134 LEU 37 HB2 0.0039 -0.0039 0.0055 135 LEU 37 HB3 0.0038 -0.0009 0.0054 136 LEU 37 HG 0.0072 -0.0021 0.0013 137 LEU 37 HD11 0.0082 0.0029 -0.0004 138 LEU 37 HD12 0.0058 0.0039 0.0026 139 LEU 37 HD13 0.0063 0.0033 0.0020 140 LEU 37 HD21 0.0084 -0.0016 -0.0004 141 LEU 37 HD22 0.0067 -0.0045 0.0020 142 LEU 37 HD23 0.0060 -0.0009 0.0026 143 PRO 38 N -0.0027 0.0039 0.0040 144 PRO 38 CA -0.0045 0.0048 0.0041 145 PRO 38 C -0.0039 0.0046 0.0041 146 PRO 38 O -0.0021 0.0052 0.0035 147 PRO 38 CB -0.0048 0.0071 0.0034 148 PRO 38 CG -0.0038 0.0072 0.0032 149 PRO 38 CD -0.0019 0.0055 0.0033 150 PRO 38 HA -0.0060 0.0039 0.0047 151 PRO 38 HB2 -0.0040 0.0081 0.0029 152 PRO 38 HB3 -0.0066 0.0076 0.0036 153 PRO 38 HG2 -0.0032 0.0088 0.0025 154 PRO 38 HG3 -0.0050 0.0069 0.0035 155 PRO 38 HD2 -0.0004 0.0061 0.0028 156 PRO 38 HD3 -0.0017 0.0048 0.0035 157 GLY 39 N -0.0051 0.0056 0.0019 158 GLY 39 CA -0.0049 0.0051 0.0020 159 GLY 39 C -0.0042 0.0040 0.0019 160 GLY 39 O -0.0036 0.0036 0.0017 161 GLY 39 H -0.0058 0.0055 0.0024 162 GLY 39 HA2 -0.0057 0.0049 0.0025 163 GLY 39 HA3 -0.0046 0.0057 0.0016 164 GLY 40 N -0.0008 -0.0048 0.0109 165 GLY 40 CA -0.0006 -0.0057 0.0101 166 GLY 40 C 0.0000 -0.0056 0.0095 167 GLY 40 O 0.0002 -0.0064 0.0088 168 GLY 40 H -0.0007 -0.0043 0.0110 169 GLY 40 HA2 -0.0004 -0.0057 0.0098 170 GLY 40 HA3 -0.0012 -0.0063 0.0103 171 GLY 41 N -0.0010 0.0001 0.0060 172 GLY 41 CA -0.0000 0.0004 0.0053 173 GLY 41 C 0.0001 -0.0000 0.0053 174 GLY 41 O 0.0009 0.0000 0.0047 175 GLY 41 H -0.0015 0.0008 0.0064 176 GLY 41 HA2 0.0001 0.0014 0.0052 177 GLY 41 HA3 0.0006 -0.0001 0.0049 178 LEU 42 N -0.0047 0.0002 0.0070 179 LEU 42 CA -0.0027 0.0001 0.0065 180 LEU 42 C -0.0028 0.0021 0.0044 181 LEU 42 O -0.0010 0.0024 0.0037 182 LEU 42 CB -0.0034 -0.0013 0.0082 183 LEU 42 CG -0.0034 -0.0034 0.0104 184 LEU 42 CD1 -0.0042 -0.0046 0.0119 185 LEU 42 CD2 -0.0007 -0.0043 0.0107 186 LEU 42 H -0.0066 0.0001 0.0076 187 LEU 42 HA -0.0007 -0.0004 0.0066 188 LEU 42 HB2 -0.0054 -0.0007 0.0081 189 LEU 42 HB3 -0.0019 -0.0013 0.0078 190 LEU 42 HG -0.0050 -0.0033 0.0108 191 LEU 42 HD11 -0.0042 -0.0060 0.0135 192 LEU 42 HD12 -0.0027 -0.0046 0.0115 193 LEU 42 HD13 -0.0062 -0.0040 0.0118 194 LEU 42 HD21 0.0009 -0.0043 0.0103 195 LEU 42 HD22 -0.0007 -0.0058 0.0123 196 LEU 42 HD23 -0.0002 -0.0035 0.0097 197 HIS 43 N -0.0059 0.0043 -0.0031 198 HIS 43 CA -0.0061 0.0050 -0.0027 199 HIS 43 C -0.0051 0.0041 -0.0010 200 HIS 43 O -0.0045 0.0024 -0.0012 201 HIS 43 CB -0.0064 0.0046 -0.0045 202 HIS 43 CG -0.0073 0.0054 -0.0064 203 HIS 43 ND1 -0.0083 0.0072 -0.0069 204 HIS 43 CD2 -0.0073 0.0044 -0.0081 205 HIS 43 CE1 -0.0088 0.0074 -0.0087 206 HIS 43 NE2 -0.0083 0.0057 -0.0094 207 HIS 43 H -0.0053 0.0029 -0.0033 208 HIS 43 HA -0.0066 0.0066 -0.0022 209 HIS 43 HB2 -0.0058 0.0031 -0.0048 210 HIS 43 HB3 -0.0066 0.0054 -0.0042 211 HIS 43 HD1 -0.0085 0.0083 -0.0060 212 HIS 43 HD2 -0.0067 0.0029 -0.0082 213 HIS 43 HE1 -0.0096 0.0087 -0.0094 214 HIS 43 HE2 -0.0086 0.0056 -0.0106 215 ARG 44 N -0.0053 0.0012 0.0003 216 ARG 44 CA -0.0048 0.0023 -0.0005 217 ARG 44 C -0.0046 0.0026 -0.0008 218 ARG 44 O -0.0046 0.0017 -0.0008 219 ARG 44 CB -0.0040 0.0019 -0.0017 220 ARG 44 CG -0.0040 0.0011 -0.0016 221 ARG 44 CD -0.0032 0.0006 -0.0028 222 ARG 44 NE -0.0032 -0.0002 -0.0027 223 ARG 44 CZ -0.0025 -0.0006 -0.0037 224 ARG 44 NH1 -0.0019 -0.0004 -0.0048 225 ARG 44 NH2 -0.0025 -0.0013 -0.0036 226 ARG 44 H -0.0051 0.0004 0.0002 227 ARG 44 HA -0.0050 0.0032 -0.0003 228 ARG 44 HB2 -0.0037 0.0012 -0.0021 229 ARG 44 HB3 -0.0037 0.0028 -0.0022 230 ARG 44 HG2 -0.0042 0.0019 -0.0013 231 ARG 44 HG3 -0.0044 0.0003 -0.0010 232 ARG 44 HD2 -0.0030 -0.0000 -0.0031 233 ARG 44 HD3 -0.0029 0.0015 -0.0034 234 ARG 44 HE -0.0037 -0.0004 -0.0020 235 ARG 44 HH11 -0.0018 0.0002 -0.0049 236 ARG 44 HH12 -0.0014 -0.0007 -0.0055 237 ARG 44 HH21 -0.0030 -0.0015 -0.0029 238 ARG 44 HH22 -0.0021 -0.0016 -0.0043 239 CYS 45 N -0.0050 0.0011 0.0002 240 CYS 45 CA -0.0055 0.0012 0.0019 241 CYS 45 C -0.0056 0.0010 0.0029 242 CYS 45 O -0.0045 0.0002 0.0030 243 CYS 45 CB -0.0046 0.0003 0.0027 244 CYS 45 SG -0.0051 0.0002 0.0050 245 CYS 45 H -0.0040 0.0005 -0.0002 246 CYS 45 HA -0.0065 0.0020 0.0019 247 CYS 45 HB2 -0.0047 0.0005 0.0020 248 CYS 45 HB3 -0.0036 -0.0005 0.0024 249 LEU 46 N -0.0071 0.0023 0.0089 250 LEU 46 CA -0.0043 0.0020 0.0044 251 LEU 46 C 0.0003 0.0058 0.0068 252 LEU 46 O 0.0050 0.0071 0.0033 253 LEU 46 CB -0.0089 -0.0015 0.0024 254 LEU 46 CG -0.0134 -0.0054 -0.0005 255 LEU 46 CD1 -0.0180 -0.0086 -0.0017 256 LEU 46 CD2 -0.0106 -0.0062 -0.0064 257 LEU 46 H -0.0112 0.0007 0.0108 258 LEU 46 HA -0.0021 0.0016 0.0003 259 LEU 46 HB2 -0.0111 -0.0011 0.0065 260 LEU 46 HB3 -0.0067 -0.0016 -0.0009 261 LEU 46 HG -0.0154 -0.0051 0.0028 262 LEU 46 HD11 -0.0203 -0.0081 0.0026 263 LEU 46 HD12 -0.0211 -0.0114 -0.0040 264 LEU 46 HD13 -0.0160 -0.0087 -0.0047 265 LEU 46 HD21 -0.0076 -0.0041 -0.0054 266 LEU 46 HD22 -0.0083 -0.0062 -0.0097 267 LEU 46 HD23 -0.0139 -0.0091 -0.0085 268 ALA 47 N -0.0033 0.0068 0.0148 269 ALA 47 CA -0.0025 0.0067 0.0161 270 ALA 47 C -0.0012 0.0057 0.0158 271 ALA 47 O -0.0003 0.0054 0.0168 272 ALA 47 CB -0.0031 0.0073 0.0169 273 ALA 47 H -0.0041 0.0072 0.0145 274 ALA 47 HA -0.0023 0.0067 0.0167 275 ALA 47 HB1 -0.0025 0.0073 0.0180 276 ALA 47 HB2 -0.0033 0.0073 0.0163 277 ALA 47 HB3 -0.0040 0.0080 0.0171 278 CYS 48 N -0.0003 0.0024 0.0067 279 CYS 48 CA 0.0016 0.0011 0.0062 280 CYS 48 C 0.0022 0.0010 0.0047 281 CYS 48 O 0.0037 -0.0000 0.0045 282 CYS 48 CB 0.0024 0.0007 0.0055 283 CYS 48 SG 0.0021 0.0005 0.0074 284 CYS 48 H -0.0010 0.0032 0.0057 285 CYS 48 HA 0.0021 0.0004 0.0077 286 CYS 48 HB2 0.0019 0.0013 0.0042 287 CYS 48 HB3 0.0038 -0.0003 0.0051 288 ALA 49 N 0.0026 0.0051 0.0029 289 ALA 49 CA 0.0037 0.0038 -0.0003 290 ALA 49 C 0.0039 0.0040 -0.0001 291 ALA 49 O 0.0056 0.0036 -0.0023 292 ALA 49 CB 0.0069 0.0045 -0.0021 293 ALA 49 H 0.0007 0.0043 0.0033 294 ALA 49 HA 0.0019 0.0020 -0.0015 295 ALA 49 HB1 0.0087 0.0063 -0.0009 296 ALA 49 HB2 0.0066 0.0044 -0.0022 297 ALA 49 HB3 0.0075 0.0035 -0.0044 298 ARG 50 N 0.0022 0.0018 -0.0003 299 ARG 50 CA 0.0000 0.0007 -0.0009 300 ARG 50 C -0.0023 -0.0006 -0.0016 301 ARG 50 O -0.0030 0.0005 -0.0015 302 ARG 50 CB -0.0013 0.0030 -0.0007 303 ARG 50 CG 0.0009 0.0042 -0.0001 304 ARG 50 CD -0.0006 0.0065 0.0001 305 ARG 50 NE 0.0014 0.0078 0.0007 306 ARG 50 CZ 0.0007 0.0100 0.0010 307 ARG 50 NH1 -0.0019 0.0110 0.0007 308 ARG 50 NH2 0.0027 0.0110 0.0016 309 ARG 50 H 0.0019 0.0036 -0.0000 310 ARG 50 HA 0.0010 -0.0011 -0.0011 311 ARG 50 HB2 -0.0022 0.0047 -0.0005 312 ARG 50 HB3 -0.0030 0.0020 -0.0012 313 ARG 50 HG2 0.0017 0.0025 -0.0002 314 ARG 50 HG3 0.0026 0.0052 0.0004 315 ARG 50 HD2 -0.0016 0.0082 0.0002 316 ARG 50 HD3 -0.0023 0.0055 -0.0004 317 ARG 50 HE 0.0034 0.0069 0.0009 318 ARG 50 HH11 -0.0035 0.0103 0.0003 319 ARG 50 HH12 -0.0026 0.0127 0.0009 320 ARG 50 HH21 0.0048 0.0103 0.0018 321 ARG 50 HH22 0.0023 0.0127 0.0018 322 TYR 51 N -0.0003 0.0060 -0.0014 323 TYR 51 CA -0.0012 0.0048 -0.0010 324 TYR 51 C -0.0027 0.0053 -0.0004 325 TYR 51 O -0.0032 0.0060 -0.0002 326 TYR 51 CB -0.0009 0.0035 -0.0010 327 TYR 51 CG 0.0007 0.0030 -0.0016 328 TYR 51 CD1 0.0016 0.0037 -0.0020 329 TYR 51 CD2 0.0012 0.0018 -0.0017 330 TYR 51 CE1 0.0030 0.0032 -0.0026 331 TYR 51 CE2 0.0026 0.0014 -0.0023 332 TYR 51 CZ 0.0035 0.0021 -0.0027 333 TYR 51 OH 0.0049 0.0016 -0.0032 334 TYR 51 H -0.0003 0.0062 -0.0014 335 TYR 51 HA -0.0009 0.0044 -0.0010 336 TYR 51 HB2 -0.0012 0.0039 -0.0009 337 TYR 51 HB3 -0.0015 0.0025 -0.0007 338 TYR 51 HD1 0.0012 0.0046 -0.0019 339 TYR 51 HD2 0.0005 0.0013 -0.0014 340 TYR 51 HE1 0.0037 0.0038 -0.0029 341 TYR 51 HE2 0.0030 0.0005 -0.0024 342 TYR 51 HH 0.0051 0.0016 -0.0033 343 PHE 52 N -0.0040 0.0038 -0.0036 344 PHE 52 CA -0.0035 0.0037 -0.0038 345 PHE 52 C -0.0031 0.0042 -0.0039 346 PHE 52 O -0.0032 0.0046 -0.0038 347 PHE 52 CB -0.0033 0.0033 -0.0039 348 PHE 52 CG -0.0037 0.0028 -0.0038 349 PHE 52 CD1 -0.0042 0.0028 -0.0037 350 PHE 52 CD2 -0.0035 0.0023 -0.0040 351 PHE 52 CE1 -0.0045 0.0023 -0.0036 352 PHE 52 CE2 -0.0038 0.0018 -0.0039 353 PHE 52 CZ -0.0043 0.0018 -0.0037 354 PHE 52 H -0.0041 0.0040 -0.0035 355 PHE 52 HA -0.0035 0.0034 -0.0038 356 PHE 52 HB2 -0.0033 0.0036 -0.0039 357 PHE 52 HB3 -0.0029 0.0032 -0.0041 358 PHE 52 HD1 -0.0043 0.0032 -0.0036 359 PHE 52 HD2 -0.0032 0.0022 -0.0041 360 PHE 52 HE1 -0.0048 0.0023 -0.0034 361 PHE 52 HE2 -0.0037 0.0014 -0.0040 362 PHE 52 HZ -0.0046 0.0014 -0.0037 363 ILE 53 N -0.0022 0.0036 -0.0050 364 ILE 53 CA -0.0002 0.0071 -0.0097 365 ILE 53 C -0.0019 0.0104 -0.0111 366 ILE 53 O -0.0024 0.0145 -0.0143 367 ILE 53 CB 0.0053 0.0046 -0.0124 368 ILE 53 CG1 0.0072 0.0010 -0.0110 369 ILE 53 CG2 0.0071 0.0022 -0.0118 370 ILE 53 CD1 0.0126 -0.0015 -0.0135 371 ILE 53 H 0.0001 0.0002 -0.0040 372 ILE 53 HA -0.0014 0.0093 -0.0106 373 ILE 53 HB 0.0064 0.0074 -0.0158 374 ILE 53 HG12 0.0060 -0.0017 -0.0075 375 ILE 53 HG13 0.0059 0.0029 -0.0115 376 ILE 53 HG21 0.0057 -0.0005 -0.0084 377 ILE 53 HG22 0.0058 0.0048 -0.0131 378 ILE 53 HG23 0.0109 0.0004 -0.0137 379 ILE 53 HD11 0.0140 0.0011 -0.0170 380 ILE 53 HD12 0.0137 -0.0040 -0.0123 381 ILE 53 HD13 0.0140 -0.0034 -0.0131 382 ASP 54 N -0.0009 0.0066 -0.0099 383 ASP 54 CA -0.0027 0.0062 -0.0095 384 ASP 54 C -0.0054 0.0041 -0.0070 385 ASP 54 O -0.0049 0.0027 -0.0051 386 ASP 54 CB 0.0001 0.0059 -0.0088 387 ASP 54 CG -0.0015 0.0055 -0.0085 388 ASP 54 OD1 -0.0022 0.0072 -0.0109 389 ASP 54 OD2 -0.0021 0.0036 -0.0060 390 ASP 54 H -0.0005 0.0054 -0.0082 391 ASP 54 HA -0.0042 0.0075 -0.0116 392 ASP 54 HB2 0.0021 0.0073 -0.0105 393 ASP 54 HB3 0.0016 0.0045 -0.0067 394 SER 55 N -0.0050 0.0010 -0.0050 395 SER 55 CA -0.0072 -0.0038 -0.0053 396 SER 55 C -0.0055 -0.0054 -0.0011 397 SER 55 O -0.0068 -0.0076 -0.0018 398 SER 55 CB -0.0089 -0.0080 -0.0053 399 SER 55 OG -0.0110 -0.0129 -0.0054 400 SER 55 H -0.0047 0.0010 -0.0045 401 SER 55 HA -0.0088 -0.0034 -0.0087 402 SER 55 HB2 -0.0103 -0.0069 -0.0085 403 SER 55 HB3 -0.0073 -0.0082 -0.0022 404 SER 55 HG -0.0100 -0.0146 -0.0021 405 THR 56 N -0.0066 -0.0111 0.0003 406 THR 56 CA -0.0056 -0.0094 0.0085 407 THR 56 C -0.0039 0.0004 0.0045 408 THR 56 O -0.0040 -0.0003 0.0054 409 THR 56 CB -0.0040 -0.0068 0.0202 410 THR 56 OG1 -0.0055 -0.0153 0.0232 411 THR 56 CG2 -0.0032 -0.0066 0.0294 412 THR 56 H -0.0061 -0.0098 0.0028 413 THR 56 HA -0.0071 -0.0169 0.0092 414 THR 56 HB -0.0025 0.0013 0.0194 415 THR 56 HG1 -0.0054 -0.0130 0.0193 416 THR 56 HG21 -0.0022 -0.0047 0.0375 417 THR 56 HG22 -0.0048 -0.0147 0.0299 418 THR 56 HG23 -0.0021 -0.0002 0.0272 419 ASN 57 N -0.0020 -0.0004 0.0027 420 ASN 57 CA -0.0011 0.0035 0.0010 421 ASN 57 C -0.0025 0.0020 -0.0033 422 ASN 57 O -0.0021 0.0032 -0.0036 423 ASN 57 CB 0.0001 0.0082 -0.0006 424 ASN 57 CG 0.0020 0.0113 0.0038 425 ASN 57 OD1 0.0033 0.0145 0.0052 426 ASN 57 ND2 0.0022 0.0104 0.0061 427 ASN 57 H -0.0019 0.0002 0.0019 428 ASN 57 HA -0.0002 0.0042 0.0041 429 ASN 57 HB2 -0.0006 0.0071 -0.0023 430 ASN 57 HB3 0.0002 0.0104 -0.0034 431 ASN 57 HD21 0.0012 0.0078 0.0050 432 ASN 57 HD22 0.0034 0.0124 0.0090 433 LEU 58 N -0.0032 -0.0005 -0.0063 434 LEU 58 CA -0.0038 -0.0009 -0.0067 435 LEU 58 C -0.0038 -0.0018 -0.0068 436 LEU 58 O -0.0041 -0.0022 -0.0071 437 LEU 58 CB -0.0041 -0.0005 -0.0069 438 LEU 58 CG -0.0047 -0.0009 -0.0074 439 LEU 58 CD1 -0.0046 -0.0017 -0.0073 440 LEU 58 CD2 -0.0053 -0.0010 -0.0077 441 LEU 58 H -0.0030 -0.0002 -0.0061 442 LEU 58 HA -0.0042 -0.0006 -0.0069 443 LEU 58 HB2 -0.0043 0.0001 -0.0069 444 LEU 58 HB3 -0.0037 -0.0006 -0.0066 445 LEU 58 HG -0.0050 -0.0005 -0.0075 446 LEU 58 HD11 -0.0050 -0.0020 -0.0077 447 LEU 58 HD12 -0.0043 -0.0021 -0.0072 448 LEU 58 HD13 -0.0042 -0.0016 -0.0071 449 LEU 58 HD21 -0.0051 -0.0014 -0.0077 450 LEU 58 HD22 -0.0057 -0.0013 -0.0081 451 LEU 58 HD23 -0.0054 -0.0004 -0.0078 452 LYS 59 N -0.0029 -0.0082 -0.0091 453 LYS 59 CA -0.0025 -0.0092 -0.0095 454 LYS 59 C -0.0037 -0.0052 -0.0087 455 LYS 59 O -0.0031 -0.0046 -0.0107 456 LYS 59 CB -0.0027 -0.0132 -0.0067 457 LYS 59 CG -0.0045 -0.0128 -0.0021 458 LYS 59 CD -0.0045 -0.0171 0.0004 459 LYS 59 CE -0.0041 -0.0184 0.0000 460 LYS 59 NZ -0.0055 -0.0154 0.0019 461 LYS 59 H -0.0033 -0.0097 -0.0071 462 LYS 59 HA -0.0012 -0.0098 -0.0127 463 LYS 59 HB2 -0.0023 -0.0140 -0.0072 464 LYS 59 HB3 -0.0018 -0.0159 -0.0075 465 LYS 59 HG2 -0.0049 -0.0119 -0.0015 466 LYS 59 HG3 -0.0055 -0.0104 -0.0011 467 LYS 59 HD2 -0.0035 -0.0196 -0.0008 468 LYS 59 HD3 -0.0058 -0.0168 0.0036 469 LYS 59 HE2 -0.0028 -0.0186 -0.0032 470 LYS 59 HE3 -0.0040 -0.0216 0.0017 471 LYS 59 HZ1 -0.0067 -0.0153 0.0050 472 LYS 59 HZ2 -0.0051 -0.0164 0.0016 473 LYS 59 HZ3 -0.0056 -0.0122 0.0005 474 THR 60 N -0.0021 -0.0069 -0.0057 475 THR 60 CA -0.0017 -0.0039 -0.0036 476 THR 60 C -0.0038 -0.0007 -0.0097 477 THR 60 O -0.0040 -0.0006 -0.0103 478 THR 60 CB -0.0004 0.0016 0.0021 479 THR 60 OG1 0.0016 -0.0016 0.0077 480 THR 60 CG2 0.0001 0.0048 0.0043 481 THR 60 H -0.0016 -0.0050 -0.0038 482 THR 60 HA -0.0008 -0.0081 -0.0019 483 THR 60 HB -0.0013 0.0055 0.0000 484 THR 60 HG1 0.0014 -0.0026 0.0067 485 THR 60 HG21 0.0010 0.0086 0.0082 486 THR 60 HG22 0.0009 0.0008 0.0061 487 THR 60 HG23 -0.0014 0.0072 0.0001 488 HIS 61 N -0.0026 -0.0018 -0.0108 489 HIS 61 CA -0.0026 -0.0030 -0.0087 490 HIS 61 C -0.0024 -0.0016 -0.0075 491 HIS 61 O -0.0025 -0.0026 -0.0063 492 HIS 61 CB -0.0026 -0.0037 -0.0071 493 HIS 61 CG -0.0025 -0.0041 -0.0046 494 HIS 61 ND1 -0.0026 -0.0061 -0.0039 495 HIS 61 CD2 -0.0024 -0.0028 -0.0027 496 HIS 61 CE1 -0.0025 -0.0058 -0.0016 497 HIS 61 NE2 -0.0024 -0.0039 -0.0009 498 HIS 61 H -0.0025 -0.0013 -0.0109 499 HIS 61 HA -0.0027 -0.0046 -0.0093 500 HIS 61 HB2 -0.0027 -0.0052 -0.0078 501 HIS 61 HB3 -0.0025 -0.0023 -0.0071 502 HIS 61 HD1 -0.0028 -0.0074 -0.0048 503 HIS 61 HD2 -0.0022 -0.0011 -0.0026 504 HIS 61 HE1 -0.0026 -0.0069 -0.0004 505 PHE 62 N -0.0006 -0.0059 -0.0083 506 PHE 62 CA -0.0006 -0.0052 -0.0076 507 PHE 62 C -0.0004 -0.0054 -0.0088 508 PHE 62 O -0.0003 -0.0049 -0.0084 509 PHE 62 CB -0.0003 -0.0035 -0.0070 510 PHE 62 CG -0.0004 -0.0031 -0.0060 511 PHE 62 CD1 -0.0008 -0.0038 -0.0046 512 PHE 62 CD2 -0.0001 -0.0019 -0.0065 513 PHE 62 CE1 -0.0009 -0.0035 -0.0037 514 PHE 62 CE2 -0.0002 -0.0015 -0.0056 515 PHE 62 CZ -0.0006 -0.0023 -0.0042 516 PHE 62 H -0.0003 -0.0052 -0.0089 517 PHE 62 HA -0.0009 -0.0060 -0.0066 518 PHE 62 HB2 0.0000 -0.0027 -0.0081 519 PHE 62 HB3 -0.0004 -0.0033 -0.0063 520 PHE 62 HD1 -0.0011 -0.0048 -0.0042 521 PHE 62 HD2 0.0002 -0.0012 -0.0076 522 PHE 62 HE1 -0.0013 -0.0041 -0.0026 523 PHE 62 HE2 0.0001 -0.0005 -0.0060 524 PHE 62 HZ -0.0007 -0.0019 -0.0035 525 ARG 63 N -0.0068 -0.0110 -0.0261 526 ARG 63 CA -0.0044 -0.0151 -0.0205 527 ARG 63 C -0.0053 -0.0141 -0.0223 528 ARG 63 O -0.0033 -0.0168 -0.0180 529 ARG 63 CB 0.0010 -0.0125 -0.0134 530 ARG 63 CG 0.0020 -0.0150 -0.0107 531 ARG 63 CD 0.0074 -0.0122 -0.0038 532 ARG 63 NE 0.0100 -0.0153 0.0017 533 ARG 63 CZ 0.0146 -0.0149 0.0086 534 ARG 63 NH1 0.0171 -0.0119 0.0110 535 ARG 63 NH2 0.0166 -0.0176 0.0130 536 ARG 63 H -0.0049 -0.0059 -0.0256 537 ARG 63 HA -0.0061 -0.0215 -0.0201 538 ARG 63 HB2 0.0026 -0.0060 -0.0140 539 ARG 63 HB3 0.0027 -0.0152 -0.0096 540 ARG 63 HG2 0.0005 -0.0215 -0.0100 541 ARG 63 HG3 0.0003 -0.0125 -0.0146 542 ARG 63 HD2 0.0079 -0.0144 -0.0020 543 ARG 63 HD3 0.0089 -0.0057 -0.0046 544 ARG 63 HE 0.0082 -0.0177 -0.0000 545 ARG 63 HH11 0.0156 -0.0100 0.0078 546 ARG 63 HH12 0.0206 -0.0115 0.0162 547 ARG 63 HH21 0.0148 -0.0200 0.0112 548 ARG 63 HH22 0.0201 -0.0174 0.0182 549 SER 64 N -0.0018 -0.0090 -0.0171 550 SER 64 CA -0.0013 -0.0114 -0.0137 551 SER 64 C 0.0012 -0.0047 -0.0100 552 SER 64 O 0.0034 -0.0026 -0.0043 553 SER 64 CB -0.0010 -0.0177 -0.0079 554 SER 64 OG -0.0031 -0.0233 -0.0107 555 SER 64 H -0.0012 -0.0099 -0.0145 556 SER 64 HA -0.0029 -0.0133 -0.0177 557 SER 64 HB2 0.0008 -0.0154 -0.0034 558 SER 64 HB3 -0.0011 -0.0202 -0.0061 559 SER 64 HG -0.0047 -0.0261 -0.0140 560 LYS 65 N 0.0036 -0.0029 -0.0109 561 LYS 65 CA 0.0038 0.0039 -0.0063 562 LYS 65 C 0.0091 0.0033 0.0003 563 LYS 65 O 0.0098 0.0073 0.0038 564 LYS 65 CB 0.0009 0.0097 -0.0066 565 LYS 65 CG 0.0021 0.0077 -0.0062 566 LYS 65 CD 0.0075 0.0063 0.0001 567 LYS 65 CE 0.0085 0.0043 0.0002 568 LYS 65 NZ 0.0137 0.0025 0.0060 569 LYS 65 H 0.0023 -0.0036 -0.0132 570 LYS 65 HA 0.0019 0.0057 -0.0078 571 LYS 65 HB2 0.0016 0.0143 -0.0027 572 LYS 65 HB3 -0.0031 0.0113 -0.0109 573 LYS 65 HG2 -0.0004 0.0120 -0.0068 574 LYS 65 HG3 0.0015 0.0031 -0.0099 575 LYS 65 HD2 0.0101 0.0020 0.0008 576 LYS 65 HD3 0.0080 0.0110 0.0037 577 LYS 65 HE2 0.0060 0.0088 -0.0003 578 LYS 65 HE3 0.0076 -0.0001 -0.0038 579 LYS 65 HZ1 0.0147 0.0066 0.0100 580 LYS 65 HZ2 0.0162 -0.0019 0.0066 581 LYS 65 HZ3 0.0143 0.0013 0.0060 582 ASP 66 N 0.0092 0.0039 0.0027 583 ASP 66 CA 0.0072 0.0037 0.0023 584 ASP 66 C 0.0077 0.0044 0.0063 585 ASP 66 O 0.0079 0.0044 0.0062 586 ASP 66 CB 0.0025 0.0033 0.0012 587 ASP 66 CG 0.0004 0.0029 -0.0001 588 ASP 66 OD1 0.0005 0.0023 -0.0039 589 ASP 66 OD2 -0.0014 0.0033 0.0026 590 ASP 66 H 0.0074 0.0038 0.0030 591 ASP 66 HA 0.0088 0.0033 -0.0003 592 ASP 66 HB2 0.0023 0.0028 -0.0013 593 ASP 66 HB3 0.0009 0.0037 0.0039 594 HIS 67 N 0.0028 -0.0016 0.0060 595 HIS 67 CA 0.0031 -0.0013 0.0082 596 HIS 67 C 0.0038 0.0024 0.0095 597 HIS 67 O 0.0043 0.0030 0.0127 598 HIS 67 CB 0.0027 -0.0024 0.0060 599 HIS 67 CG 0.0029 -0.0025 0.0079 600 HIS 67 ND1 0.0032 -0.0036 0.0115 601 HIS 67 CD2 0.0027 -0.0028 0.0065 602 HIS 67 CE1 0.0031 -0.0047 0.0122 603 HIS 67 NE2 0.0028 -0.0043 0.0093 604 HIS 67 H 0.0024 -0.0023 0.0034 605 HIS 67 HA 0.0031 -0.0031 0.0106 606 HIS 67 HB2 0.0021 -0.0052 0.0051 607 HIS 67 HB3 0.0026 -0.0006 0.0037 608 HIS 67 HD1 0.0034 -0.0036 0.0134 609 HIS 67 HD2 0.0025 -0.0015 0.0039 610 HIS 67 HE1 0.0033 -0.0057 0.0148 611 LYS 68 N 0.0093 -0.0001 0.0066 612 LYS 68 CA 0.0091 0.0027 0.0071 613 LYS 68 C 0.0099 0.0048 0.0095 614 LYS 68 O 0.0105 0.0065 0.0111 615 LYS 68 CB 0.0075 0.0043 0.0044 616 LYS 68 CG 0.0066 0.0021 0.0020 617 LYS 68 CD 0.0050 0.0038 -0.0008 618 LYS 68 CE 0.0044 0.0047 -0.0017 619 LYS 68 NZ 0.0029 0.0062 -0.0044 620 LYS 68 H 0.0084 -0.0004 0.0049 621 LYS 68 HA 0.0095 0.0021 0.0078 622 LYS 68 HB2 0.0071 0.0051 0.0038 623 LYS 68 HB3 0.0073 0.0063 0.0047 624 LYS 68 HG2 0.0070 0.0010 0.0025 625 LYS 68 HG3 0.0068 0.0001 0.0016 626 LYS 68 HD2 0.0049 0.0059 -0.0004 627 LYS 68 HD3 0.0044 0.0023 -0.0024 628 LYS 68 HE2 0.0046 0.0027 -0.0019 629 LYS 68 HE3 0.0050 0.0064 -0.0001 630 LYS 68 HZ1 0.0026 0.0082 -0.0043 631 LYS 68 HZ2 0.0025 0.0067 -0.0050 632 LYS 68 HZ3 0.0023 0.0046 -0.0059 633 LYS 69 N 0.0182 0.0087 0.0138 634 LYS 69 CA 0.0167 0.0064 0.0069 635 LYS 69 C 0.0115 0.0075 0.0103 636 LYS 69 O 0.0140 0.0068 0.0084 637 LYS 69 CB 0.0110 0.0041 0.0002 638 LYS 69 CG 0.0062 0.0018 -0.0064 639 LYS 69 CD 0.0002 -0.0000 -0.0115 640 LYS 69 CE -0.0057 -0.0023 -0.0182 641 LYS 69 NZ -0.0116 -0.0038 -0.0223 642 LYS 69 H 0.0159 0.0084 0.0130 643 LYS 69 HA 0.0231 0.0054 0.0040 644 LYS 69 HB2 0.0154 0.0029 -0.0032 645 LYS 69 HB3 0.0060 0.0052 0.0037 646 LYS 69 HG2 0.0022 0.0030 -0.0027 647 LYS 69 HG3 0.0111 0.0004 -0.0106 648 LYS 69 HD2 0.0046 -0.0011 -0.0148 649 LYS 69 HD3 -0.0041 0.0015 -0.0069 650 LYS 69 HE2 -0.0099 -0.0013 -0.0151 651 LYS 69 HE3 -0.0014 -0.0039 -0.0231 652 LYS 69 HZ1 -0.0160 -0.0054 -0.0269 653 LYS 69 HZ2 -0.0155 -0.0022 -0.0176 654 LYS 69 HZ3 -0.0076 -0.0047 -0.0252 655 ARG 70 N 0.0080 0.0058 0.0124 656 ARG 70 CA 0.0058 0.0070 0.0114 657 ARG 70 C 0.0073 0.0066 0.0126 658 ARG 70 O 0.0064 0.0063 0.0110 659 ARG 70 CB 0.0032 0.0100 0.0128 660 ARG 70 CG 0.0005 0.0114 0.0115 661 ARG 70 CD -0.0008 0.0102 0.0077 662 ARG 70 NE -0.0033 0.0114 0.0064 663 ARG 70 CZ -0.0039 0.0101 0.0034 664 ARG 70 NH1 -0.0024 0.0076 0.0014 665 ARG 70 NH2 -0.0062 0.0114 0.0025 666 ARG 70 H 0.0079 0.0069 0.0141 667 ARG 70 HA 0.0049 0.0061 0.0087 668 ARG 70 HB2 0.0024 0.0104 0.0123 669 ARG 70 HB3 0.0041 0.0109 0.0155 670 ARG 70 HG2 -0.0012 0.0135 0.0126 671 ARG 70 HG3 0.0014 0.0112 0.0123 672 ARG 70 HD2 0.0010 0.0081 0.0067 673 ARG 70 HD3 -0.0017 0.0104 0.0069 674 ARG 70 HE -0.0044 0.0133 0.0079 675 ARG 70 HH11 -0.0006 0.0065 0.0020 676 ARG 70 HH12 -0.0028 0.0066 -0.0009 677 ARG 70 HH21 -0.0075 0.0133 0.0040 678 ARG 70 HH22 -0.0069 0.0106 0.0003 679 LEU 71 N 0.0056 0.0061 0.0112 680 LEU 71 CA 0.0057 0.0059 0.0112 681 LEU 71 C 0.0058 0.0060 0.0112 682 LEU 71 O 0.0061 0.0059 0.0112 683 LEU 71 CB 0.0054 0.0057 0.0112 684 LEU 71 CG 0.0052 0.0055 0.0112 685 LEU 71 CD1 0.0049 0.0053 0.0112 686 LEU 71 CD2 0.0054 0.0053 0.0112 687 LEU 71 H 0.0054 0.0062 0.0112 688 LEU 71 HA 0.0058 0.0057 0.0112 689 LEU 71 HB2 0.0052 0.0059 0.0112 690 LEU 71 HB3 0.0054 0.0055 0.0112 691 LEU 71 HG 0.0051 0.0057 0.0112 692 LEU 71 HD11 0.0050 0.0052 0.0112 693 LEU 71 HD12 0.0047 0.0055 0.0112 694 LEU 71 HD13 0.0048 0.0052 0.0112 695 LEU 71 HD21 0.0056 0.0054 0.0112 696 LEU 71 HD22 0.0055 0.0051 0.0112 697 LEU 71 HD23 0.0052 0.0052 0.0112 698 LYS 72 N 0.0029 0.0054 0.0100 699 LYS 72 CA 0.0044 0.0010 0.0071 700 LYS 72 C -0.0004 0.0001 0.0034 701 LYS 72 O -0.0005 -0.0015 0.0020 702 LYS 72 CB 0.0076 -0.0029 0.0057 703 LYS 72 CG 0.0095 -0.0076 0.0028 704 LYS 72 CD 0.0128 -0.0112 0.0017 705 LYS 72 CE 0.0148 -0.0159 -0.0011 706 LYS 72 NZ 0.0182 -0.0195 -0.0020 707 LYS 72 H 0.0038 0.0054 0.0105 708 LYS 72 HA 0.0068 0.0012 0.0088 709 LYS 72 HB2 0.0109 -0.0021 0.0084 710 LYS 72 HB3 0.0051 -0.0030 0.0041 711 LYS 72 HG2 0.0061 -0.0086 -0.0000 712 LYS 72 HG3 0.0117 -0.0075 0.0043 713 LYS 72 HD2 0.0161 -0.0103 0.0046 714 LYS 72 HD3 0.0105 -0.0114 0.0002 715 LYS 72 HE2 0.0115 -0.0169 -0.0040 716 LYS 72 HE3 0.0169 -0.0157 0.0004 717 LYS 72 HZ1 0.0163 -0.0198 -0.0035 718 LYS 72 HZ2 0.0215 -0.0186 0.0007 719 LYS 72 HZ3 0.0195 -0.0227 -0.0040 720 GLN 73 N 0.0089 0.0033 0.0052 721 GLN 73 CA 0.0070 0.0033 0.0031 722 GLN 73 C 0.0062 0.0043 0.0041 723 GLN 73 O 0.0059 0.0037 0.0028 724 GLN 73 CB 0.0047 0.0041 0.0021 725 GLN 73 CG 0.0054 0.0030 0.0009 726 GLN 73 CD 0.0031 0.0039 -0.0000 727 GLN 73 OE1 0.0013 0.0056 0.0010 728 GLN 73 NE2 0.0030 0.0028 -0.0020 729 GLN 73 H 0.0084 0.0040 0.0059 730 GLN 73 HA 0.0079 0.0019 0.0016 731 GLN 73 HB2 0.0039 0.0054 0.0036 732 GLN 73 HB3 0.0034 0.0040 0.0006 733 GLN 73 HG2 0.0061 0.0017 -0.0007 734 GLN 73 HG3 0.0068 0.0030 0.0023 735 GLN 73 HE21 0.0045 0.0015 -0.0027 736 GLN 73 HE22 0.0016 0.0033 -0.0026 737 LEU 74 N 0.0048 0.0062 0.0057 738 LEU 74 CA 0.0046 0.0065 0.0052 739 LEU 74 C 0.0060 0.0037 0.0057 740 LEU 74 O 0.0061 0.0034 0.0048 741 LEU 74 CB 0.0035 0.0088 0.0073 742 LEU 74 CG 0.0031 0.0097 0.0069 743 LEU 74 CD1 0.0025 0.0106 0.0036 744 LEU 74 CD2 0.0021 0.0120 0.0092 745 LEU 74 H 0.0045 0.0068 0.0077 746 LEU 74 HA 0.0042 0.0071 0.0028 747 LEU 74 HB2 0.0026 0.0106 0.0071 748 LEU 74 HB3 0.0040 0.0080 0.0096 749 LEU 74 HG 0.0040 0.0079 0.0073 750 LEU 74 HD11 0.0022 0.0113 0.0033 751 LEU 74 HD12 0.0016 0.0124 0.0031 752 LEU 74 HD13 0.0032 0.0089 0.0020 753 LEU 74 HD21 0.0012 0.0138 0.0088 754 LEU 74 HD22 0.0018 0.0126 0.0089 755 LEU 74 HD23 0.0025 0.0113 0.0115 756 SER 75 N 0.0047 0.0019 0.0031 757 SER 75 CA 0.0024 -0.0039 0.0024 758 SER 75 C 0.0020 -0.0050 0.0026 759 SER 75 O 0.0006 -0.0092 0.0006 760 SER 75 CB 0.0023 -0.0066 -0.0032 761 SER 75 OG 0.0001 -0.0123 -0.0038 762 SER 75 H 0.0046 0.0033 0.0069 763 SER 75 HA 0.0011 -0.0057 0.0061 764 SER 75 HB2 0.0026 -0.0058 -0.0030 765 SER 75 HB3 0.0037 -0.0048 -0.0069 766 SER 75 HG -0.0004 -0.0139 -0.0049 767 VAL 76 N -0.0004 0.0022 0.0064 768 VAL 76 CA -0.0009 0.0014 0.0066 769 VAL 76 C -0.0028 -0.0012 0.0085 770 VAL 76 O -0.0034 -0.0037 0.0073 771 VAL 76 CB -0.0002 0.0041 0.0081 772 VAL 76 CG1 -0.0007 0.0032 0.0084 773 VAL 76 CG2 0.0017 0.0067 0.0063 774 VAL 76 H 0.0002 0.0042 0.0073 775 VAL 76 HA -0.0003 0.0007 0.0043 776 VAL 76 HB -0.0008 0.0048 0.0104 777 VAL 76 HG11 -0.0002 0.0052 0.0095 778 VAL 76 HG12 -0.0002 0.0025 0.0061 779 VAL 76 HG13 -0.0021 0.0014 0.0098 780 VAL 76 HG21 0.0021 0.0086 0.0074 781 VAL 76 HG22 0.0020 0.0074 0.0062 782 VAL 76 HG23 0.0023 0.0060 0.0040 783 GLU 77 N -0.0053 0.0011 0.0033 784 GLU 77 CA -0.0054 0.0002 0.0041 785 GLU 77 C -0.0056 -0.0012 0.0054 786 GLU 77 O -0.0046 -0.0012 0.0066 787 GLU 77 CB -0.0043 0.0011 0.0047 788 GLU 77 CG -0.0029 0.0019 0.0056 789 GLU 77 CD -0.0018 0.0027 0.0062 790 GLU 77 OE1 -0.0015 0.0038 0.0053 791 GLU 77 OE2 -0.0011 0.0021 0.0075 792 GLU 77 H -0.0048 0.0012 0.0039 793 GLU 77 HA -0.0064 -0.0002 0.0033 794 GLU 77 HB2 -0.0043 0.0002 0.0054 795 GLU 77 HB3 -0.0044 0.0018 0.0037 796 GLU 77 HG2 -0.0027 0.0028 0.0048 797 GLU 77 HG3 -0.0027 0.0011 0.0065 798 PRO 78 N -0.0106 -0.0113 0.0018 799 PRO 78 CA -0.0097 -0.0161 0.0023 800 PRO 78 C -0.0055 -0.0165 0.0039 801 PRO 78 O -0.0047 -0.0146 0.0042 802 PRO 78 CB -0.0131 -0.0178 0.0010 803 PRO 78 CG -0.0164 -0.0143 -0.0004 804 PRO 78 CD -0.0142 -0.0100 0.0004 805 PRO 78 HA -0.0099 -0.0178 0.0023 806 PRO 78 HB2 -0.0119 -0.0182 0.0015 807 PRO 78 HB3 -0.0143 -0.0210 0.0007 808 PRO 78 HG2 -0.0180 -0.0142 -0.0010 809 PRO 78 HG3 -0.0186 -0.0150 -0.0012 810 PRO 78 HD2 -0.0131 -0.0085 0.0007 811 PRO 78 HD3 -0.0161 -0.0077 -0.0005 812 TYR 79 N -0.0137 -0.0092 -0.0139 813 TYR 79 CA -0.0041 -0.0120 -0.0041 814 TYR 79 C -0.0049 -0.0013 0.0082 815 TYR 79 O -0.0015 0.0013 0.0161 816 TYR 79 CB 0.0068 -0.0225 -0.0024 817 TYR 79 CG 0.0084 -0.0336 -0.0141 818 TYR 79 CD1 0.0047 -0.0369 -0.0232 819 TYR 79 CD2 0.0135 -0.0407 -0.0159 820 TYR 79 CE1 0.0060 -0.0469 -0.0339 821 TYR 79 CE2 0.0149 -0.0508 -0.0266 822 TYR 79 CZ 0.0111 -0.0539 -0.0356 823 TYR 79 OH 0.0124 -0.0639 -0.0464 824 TYR 79 H -0.0189 -0.0091 -0.0210 825 TYR 79 HA -0.0047 -0.0139 -0.0074 826 TYR 79 HB2 0.0071 -0.0210 0.0000 827 TYR 79 HB3 0.0133 -0.0237 0.0053 828 TYR 79 HD1 0.0007 -0.0315 -0.0219 829 TYR 79 HD2 0.0164 -0.0383 -0.0088 830 TYR 79 HE1 0.0031 -0.0493 -0.0409 831 TYR 79 HE2 0.0189 -0.0562 -0.0279 832 TYR 79 HH 0.0101 -0.0638 -0.0494 833 SER 80 N -0.0058 0.0005 0.0026 834 SER 80 CA -0.0044 0.0009 0.0014 835 SER 80 C -0.0043 0.0008 0.0021 836 SER 80 O -0.0055 0.0004 0.0033 837 SER 80 CB -0.0025 0.0013 0.0017 838 SER 80 OG -0.0010 0.0017 0.0005 839 SER 80 H -0.0054 0.0004 0.0039 840 SER 80 HA -0.0049 0.0010 -0.0001 841 SER 80 HB2 -0.0027 0.0013 0.0013 842 SER 80 HB3 -0.0020 0.0011 0.0032 843 SER 80 HG -0.0013 0.0018 -0.0008 844 GLN 81 N -0.0007 0.0035 -0.0039 845 GLN 81 CA 0.0000 0.0034 -0.0063 846 GLN 81 C 0.0007 0.0022 -0.0052 847 GLN 81 O 0.0012 0.0006 -0.0030 848 GLN 81 CB 0.0017 0.0020 -0.0086 849 GLN 81 CG 0.0023 0.0022 -0.0114 850 GLN 81 CD 0.0040 0.0007 -0.0135 851 GLN 81 OE1 0.0052 -0.0012 -0.0127 852 GLN 81 NE2 0.0041 0.0015 -0.0162 853 GLN 81 H -0.0000 0.0025 -0.0036 854 GLN 81 HA -0.0010 0.0052 -0.0073 855 GLN 81 HB2 0.0013 0.0027 -0.0091 856 GLN 81 HB3 0.0028 0.0001 -0.0076 857 GLN 81 HG2 0.0026 0.0016 -0.0108 858 GLN 81 HG3 0.0012 0.0041 -0.0124 859 GLN 81 HE21 0.0030 0.0031 -0.0167 860 GLN 81 HE22 0.0051 0.0006 -0.0177 861 GLU 82 N -0.0030 0.0061 -0.0035 862 GLU 82 CA -0.0029 0.0063 -0.0022 863 GLU 82 C -0.0039 0.0064 -0.0012 864 GLU 82 O -0.0040 0.0066 -0.0001 865 GLU 82 CB -0.0015 0.0064 -0.0016 866 GLU 82 CG -0.0013 0.0067 -0.0003 867 GLU 82 CD 0.0001 0.0068 0.0001 868 GLU 82 OE1 0.0008 0.0069 0.0005 869 GLU 82 OE2 0.0006 0.0068 0.0001 870 GLU 82 H -0.0036 0.0059 -0.0041 871 GLU 82 HA -0.0034 0.0063 -0.0022 872 GLU 82 HB2 -0.0009 0.0063 -0.0023 873 GLU 82 HB3 -0.0010 0.0065 -0.0016 874 GLU 82 HG2 -0.0018 0.0068 0.0004 875 GLU 82 HG3 -0.0018 0.0067 -0.0002 876 GLU 83 N -0.0109 -0.0010 0.0077 877 GLU 83 CA -0.0163 -0.0035 0.0099 878 GLU 83 C -0.0234 -0.0070 0.0060 879 GLU 83 O -0.0288 -0.0093 0.0101 880 GLU 83 CB -0.0137 -0.0024 0.0079 881 GLU 83 CG -0.0190 -0.0047 0.0099 882 GLU 83 CD -0.0158 -0.0033 0.0086 883 GLU 83 OE1 -0.0151 -0.0034 0.0018 884 GLU 83 OE2 -0.0138 -0.0020 0.0144 885 GLU 83 H -0.0100 -0.0009 0.0021 886 GLU 83 HA -0.0171 -0.0035 0.0163 887 GLU 83 HB2 -0.0088 0.0001 0.0110 888 GLU 83 HB3 -0.0125 -0.0022 0.0016 889 GLU 83 HG2 -0.0236 -0.0071 0.0063 890 GLU 83 HG3 -0.0206 -0.0051 0.0161 891 ALA 84 N -0.0142 -0.0040 0.0009 892 ALA 84 CA -0.0224 -0.0046 -0.0048 893 ALA 84 C -0.0217 -0.0047 -0.0113 894 ALA 84 O -0.0263 -0.0051 -0.0183 895 ALA 84 CB -0.0238 -0.0048 -0.0100 896 ALA 84 H -0.0087 -0.0037 -0.0017 897 ALA 84 HA -0.0281 -0.0049 -0.0003 898 ALA 84 HB1 -0.0297 -0.0053 -0.0142 899 ALA 84 HB2 -0.0179 -0.0045 -0.0142 900 ALA 84 HB3 -0.0248 -0.0048 -0.0052 901 GLU 85 N -0.0128 0.0101 -0.0083 902 GLU 85 CA -0.0072 0.0125 -0.0122 903 GLU 85 C -0.0009 0.0081 -0.0093 904 GLU 85 O 0.0026 0.0065 -0.0086 905 GLU 85 CB -0.0058 0.0166 -0.0167 906 GLU 85 CG -0.0010 0.0201 -0.0215 907 GLU 85 CD 0.0069 0.0177 -0.0211 908 GLU 85 OE1 0.0108 0.0176 -0.0220 909 GLU 85 OE2 0.0092 0.0159 -0.0198 910 GLU 85 H -0.0115 0.0065 -0.0049 911 GLU 85 HA -0.0087 0.0143 -0.0136 912 GLU 85 HB2 -0.0108 0.0189 -0.0177 913 GLU 85 HB3 -0.0034 0.0146 -0.0153 914 GLU 85 HG2 -0.0030 0.0208 -0.0216 915 GLU 85 HG3 -0.0018 0.0236 -0.0249 916 ARG 86 N -0.0042 0.0114 -0.0045 917 ARG 86 CA -0.0046 0.0108 -0.0058 918 ARG 86 C -0.0018 0.0109 -0.0029 919 ARG 86 O 0.0015 0.0101 -0.0007 920 ARG 86 CB -0.0045 0.0077 -0.0101 921 ARG 86 CG -0.0011 0.0047 -0.0110 922 ARG 86 CD 0.0031 0.0034 -0.0086 923 ARG 86 NE 0.0061 0.0008 -0.0093 924 ARG 86 CZ 0.0100 -0.0004 -0.0071 925 ARG 86 NH1 0.0115 0.0007 -0.0041 926 ARG 86 NH2 0.0124 -0.0027 -0.0080 927 ARG 86 H -0.0016 0.0101 -0.0038 928 ARG 86 HA -0.0076 0.0128 -0.0059 929 ARG 86 HB2 -0.0041 0.0070 -0.0106 930 ARG 86 HB3 -0.0073 0.0082 -0.0122 931 ARG 86 HG2 -0.0015 0.0027 -0.0141 932 ARG 86 HG3 -0.0014 0.0053 -0.0104 933 ARG 86 HD2 0.0034 0.0054 -0.0054 934 ARG 86 HD3 0.0035 0.0025 -0.0094 935 ARG 86 HE 0.0051 -0.0001 -0.0116 936 ARG 86 HH11 0.0099 0.0024 -0.0033 937 ARG 86 HH12 0.0144 -0.0002 -0.0025 938 ARG 86 HH21 0.0114 -0.0036 -0.0103 939 ARG 86 HH22 0.0153 -0.0036 -0.0064 940 ALA 87 N 0.0056 0.0134 -0.0026 941 ALA 87 CA 0.0029 0.0147 0.0132 942 ALA 87 C 0.0073 0.0124 -0.0064 943 ALA 87 O -0.0040 0.0194 -0.0048 944 ALA 87 CB -0.0220 0.0298 0.0251 945 ALA 87 H -0.0075 0.0217 -0.0147 946 ALA 87 HA 0.0155 0.0066 0.0298 947 ALA 87 HB1 -0.0345 0.0378 0.0085 948 ALA 87 HB2 -0.0249 0.0312 0.0389 949 ALA 87 HB3 -0.0242 0.0309 0.0363 950 ALA 88 N 0.0234 0.0100 -0.0145 951 ALA 88 CA 0.0173 0.0048 0.0129 952 ALA 88 C -0.0137 0.0172 0.0128 953 ALA 88 O -0.0368 0.0226 0.0264 954 ALA 88 CB 0.0197 -0.0046 0.0426 955 ALA 88 H 0.0076 0.0179 -0.0198 956 ALA 88 HA 0.0341 -0.0016 0.0117 957 ALA 88 HB1 0.0028 0.0017 0.0443 958 ALA 88 HB2 0.0421 -0.0134 0.0420 959 ALA 88 HB3 0.0157 -0.0086 0.0628 960 GLY 89 N -0.0241 0.0349 -0.0155 961 GLY 89 CA -0.0196 0.0366 -0.0164 962 GLY 89 C -0.0145 0.0369 -0.0184 963 GLY 89 O -0.0137 0.0332 -0.0213 964 GLY 89 H -0.0238 0.0349 -0.0156 965 GLY 89 HA2 -0.0197 0.0342 -0.0180 966 GLY 89 HA3 -0.0196 0.0401 -0.0139 967 MET 90 N -0.0384 0.0051 0.0189 968 MET 90 CA -0.0628 0.0005 0.0236 969 MET 90 C -0.1111 0.0025 0.1023 970 MET 90 O -0.0780 0.0202 0.1670 971 MET 90 CB 0.0105 0.0149 0.0131 972 MET 90 CG -0.0085 0.0086 -0.0001 973 MET 90 SD -0.0634 0.0099 0.0830 974 MET 90 CE -0.0654 0.0037 0.0473 975 MET 90 H -0.0590 -0.0066 -0.0257 976 MET 90 HA -0.1028 -0.0162 -0.0257 977 MET 90 HB2 0.0468 0.0146 -0.0387 978 MET 90 HB3 0.0459 0.0313 0.0665 979 MET 90 HG2 -0.0439 -0.0077 -0.0535 980 MET 90 HG3 0.0475 0.0191 -0.0113 981 MET 90 HE1 -0.0961 -0.0121 -0.0093 982 MET 90 HE2 -0.0966 0.0040 0.0918 983 MET 90 HE3 -0.0048 0.0155 0.0378 984 GLY 91 N 0.3022 0.0426 -0.1313 985 GLY 91 CA 0.1590 0.0025 0.0815 986 GLY 91 C 0.0322 0.0086 -0.0205 987 GLY 91 O -0.2150 -0.0047 -0.0446 988 GLY 91 H 0.2026 0.0594 -0.2955 989 GLY 91 HA2 0.2985 -0.0113 0.2440 990 GLY 91 HA3 0.0013 -0.0183 0.1531 991 SER 92 N 0.0356 -0.0042 0.0067 992 SER 92 CA 0.0291 0.0050 -0.0161 993 SER 92 C 0.0331 0.0015 -0.0217 994 SER 92 O 0.0481 -0.0138 -0.0244 995 SER 92 CB 0.0368 -0.0007 -0.0366 996 SER 92 OG 0.0329 0.0027 -0.0308 997 SER 92 H 0.0481 -0.0173 0.0080 998 SER 92 HA 0.0153 0.0192 -0.0145 999 SER 92 HB2 0.0506 -0.0149 -0.0385 1000 SER 92 HB3 0.0315 0.0067 -0.0538 1001 SER 92 HG 0.0285 0.0054 -0.0137 1002 TYR 93 N -0.0491 0.0347 -0.0123 1003 TYR 93 CA -0.0329 0.0238 -0.0048 1004 TYR 93 C -0.0132 0.0262 0.0137 1005 TYR 93 O -0.0125 0.0306 0.0169 1006 TYR 93 CB -0.0308 -0.0023 -0.0186 1007 TYR 93 CG -0.0165 -0.0153 -0.0140 1008 TYR 93 CD1 -0.0237 -0.0153 -0.0202 1009 TYR 93 CD2 0.0041 -0.0274 -0.0034 1010 TYR 93 CE1 -0.0109 -0.0269 -0.0161 1011 TYR 93 CE2 0.0171 -0.0391 0.0008 1012 TYR 93 CZ 0.0095 -0.0388 -0.0056 1013 TYR 93 OH 0.0224 -0.0504 -0.0014 1014 TYR 93 H -0.0483 0.0272 -0.0161 1015 TYR 93 HA -0.0366 0.0327 -0.0027 1016 TYR 93 HB2 -0.0458 -0.0034 -0.0322 1017 TYR 93 HB3 -0.0253 -0.0112 -0.0192 1018 TYR 93 HD1 -0.0398 -0.0059 -0.0285 1019 TYR 93 HD2 0.0101 -0.0276 0.0016 1020 TYR 93 HE1 -0.0168 -0.0267 -0.0211 1021 TYR 93 HE2 0.0331 -0.0485 0.0090 1022 TYR 93 HH 0.0344 -0.0456 0.0119 1023 VAL 94 N 0.0415 -0.0028 -0.0109 1024 VAL 94 CA 0.0178 -0.0184 -0.0108 1025 VAL 94 C 0.0152 -0.0190 -0.0106 1026 VAL 94 O 0.0095 0.0020 -0.0064 1027 VAL 94 CB -0.0089 -0.0095 -0.0063 1028 VAL 94 CG1 -0.0147 0.0199 -0.0006 1029 VAL 94 CG2 -0.0327 -0.0271 -0.0066 1030 VAL 94 H 0.0389 0.0129 -0.0079 1031 VAL 94 HA 0.0219 -0.0387 -0.0147 1032 VAL 94 HB -0.0062 -0.0122 -0.0070 1033 VAL 94 HG11 -0.0332 0.0249 0.0024 1034 VAL 94 HG12 -0.0167 0.0235 0.0003 1035 VAL 94 HG13 0.0017 0.0319 -0.0004 1036 VAL 94 HG21 -0.0352 -0.0255 -0.0060 1037 VAL 94 HG22 -0.0508 -0.0206 -0.0034 1038 VAL 94 HG23 -0.0290 -0.0476 -0.0105