1 ASP 28 N -0.0232 -0.0025 -0.0215 2 ASP 28 CA -0.0142 0.0032 -0.0136 3 ASP 28 C -0.0070 -0.0027 -0.0073 4 ASP 28 O -0.0066 -0.0141 -0.0070 5 ASP 28 CB -0.0115 0.0018 -0.0113 6 ASP 28 CG -0.0024 0.0076 -0.0032 7 ASP 28 OD1 -0.0016 0.0190 -0.0025 8 ASP 28 OD2 0.0040 0.0009 0.0023 9 ASP 28 H -0.0283 0.0013 -0.0259 10 ASP 28 HA -0.0148 0.0128 -0.0141 11 ASP 28 HB2 -0.0167 0.0061 -0.0158 12 ASP 28 HB3 -0.0112 -0.0078 -0.0110 13 PRO 29 N -0.0142 -0.0093 0.0178 14 PRO 29 CA -0.0069 0.0043 0.0050 15 PRO 29 C 0.0036 -0.0073 -0.0039 16 PRO 29 O 0.0117 -0.0232 -0.0087 17 PRO 29 CB 0.0005 0.0133 -0.0065 18 PRO 29 CG -0.0064 0.0095 0.0029 19 PRO 29 CD -0.0118 -0.0094 0.0150 20 PRO 29 HA -0.0140 0.0163 0.0098 21 PRO 29 HB2 0.0112 0.0057 -0.0169 22 PRO 29 HB3 -0.0005 0.0294 -0.0102 23 PRO 29 HG2 0.0009 0.0071 -0.0051 24 PRO 29 HG3 -0.0148 0.0223 0.0090 25 PRO 29 HD2 -0.0042 -0.0229 0.0101 26 PRO 29 HD3 -0.0213 -0.0082 0.0259 27 ASN 30 N 0.0047 -0.0063 0.0022 28 ASN 30 CA 0.0046 -0.0049 -0.0048 29 ASN 30 C 0.0057 -0.0128 -0.0004 30 ASN 30 O 0.0072 -0.0224 -0.0051 31 ASN 30 CB 0.0052 -0.0068 -0.0180 32 ASN 30 CG 0.0052 -0.0059 -0.0263 33 ASN 30 OD1 0.0039 0.0036 -0.0306 34 ASN 30 ND2 0.0066 -0.0155 -0.0290 35 ASN 30 H 0.0036 0.0008 0.0052 36 ASN 30 HA 0.0033 0.0040 -0.0037 37 ASN 30 HB2 0.0042 -0.0002 -0.0205 38 ASN 30 HB3 0.0064 -0.0153 -0.0183 39 ASN 30 HD21 0.0076 -0.0230 -0.0255 40 ASN 30 HD22 0.0067 -0.0151 -0.0342 41 ALA 31 N 0.0002 -0.0244 0.0139 42 ALA 31 CA 0.0011 -0.0240 0.0152 43 ALA 31 C 0.0018 -0.0214 0.0172 44 ALA 31 O 0.0034 -0.0216 0.0192 45 ALA 31 CB 0.0028 -0.0266 0.0162 46 ALA 31 H 0.0004 -0.0234 0.0145 47 ALA 31 HA 0.0001 -0.0236 0.0140 48 ALA 31 HB1 0.0034 -0.0262 0.0172 49 ALA 31 HB2 0.0039 -0.0270 0.0175 50 ALA 31 HB3 0.0023 -0.0284 0.0148 51 GLU 32 N 0.0051 -0.0039 0.0149 52 GLU 32 CA 0.0092 0.0015 0.0151 53 GLU 32 C 0.0083 0.0023 0.0135 54 GLU 32 O 0.0116 0.0059 0.0144 55 GLU 32 CB 0.0095 0.0068 0.0114 56 GLU 32 CG 0.0047 0.0078 0.0055 57 GLU 32 CD 0.0054 0.0132 0.0021 58 GLU 32 OE1 0.0072 0.0181 0.0002 59 GLU 32 OE2 0.0042 0.0126 0.0012 60 GLU 32 H 0.0024 -0.0035 0.0117 61 GLU 32 HA 0.0126 0.0010 0.0192 62 GLU 32 HB2 0.0127 0.0107 0.0118 63 GLU 32 HB3 0.0102 0.0060 0.0128 64 GLU 32 HG2 0.0016 0.0039 0.0051 65 GLU 32 HG3 0.0039 0.0084 0.0042 66 PHE 33 N 0.0048 -0.0033 0.0082 67 PHE 33 CA 0.0041 -0.0017 0.0072 68 PHE 33 C 0.0037 -0.0011 0.0071 69 PHE 33 O 0.0037 -0.0018 0.0078 70 PHE 33 CB 0.0028 -0.0010 0.0080 71 PHE 33 CG 0.0018 -0.0014 0.0097 72 PHE 33 CD1 0.0008 -0.0007 0.0101 73 PHE 33 CD2 0.0019 -0.0026 0.0109 74 PHE 33 CE1 -0.0001 -0.0011 0.0116 75 PHE 33 CE2 0.0010 -0.0030 0.0124 76 PHE 33 CZ 0.0000 -0.0022 0.0127 77 PHE 33 H 0.0042 -0.0037 0.0093 78 PHE 33 HA 0.0048 -0.0015 0.0061 79 PHE 33 HB2 0.0022 0.0002 0.0074 80 PHE 33 HB3 0.0031 -0.0013 0.0080 81 PHE 33 HD1 0.0008 0.0002 0.0092 82 PHE 33 HD2 0.0027 -0.0032 0.0106 83 PHE 33 HE1 -0.0008 -0.0005 0.0118 84 PHE 33 HE2 0.0011 -0.0039 0.0133 85 PHE 33 HZ -0.0007 -0.0025 0.0139 86 ASP 34 N 0.0031 0.0050 0.0041 87 ASP 34 CA 0.0010 0.0058 0.0044 88 ASP 34 C 0.0003 0.0061 0.0046 89 ASP 34 O 0.0007 0.0054 0.0036 90 ASP 34 CB -0.0003 0.0053 0.0028 91 ASP 34 CG -0.0024 0.0061 0.0032 92 ASP 34 OD1 -0.0035 0.0064 0.0031 93 ASP 34 OD2 -0.0029 0.0065 0.0036 94 ASP 34 H 0.0033 0.0042 0.0029 95 ASP 34 HA 0.0009 0.0065 0.0057 96 ASP 34 HB2 0.0004 0.0050 0.0026 97 ASP 34 HB3 -0.0003 0.0046 0.0016 98 PRO 35 N 0.0010 0.0105 0.0060 99 PRO 35 CA 0.0027 0.0128 0.0083 100 PRO 35 C 0.0006 0.0139 0.0066 101 PRO 35 O 0.0017 0.0160 0.0083 102 PRO 35 CB 0.0031 0.0173 0.0099 103 PRO 35 CG -0.0002 0.0184 0.0073 104 PRO 35 CD -0.0009 0.0138 0.0053 105 PRO 35 HA 0.0054 0.0109 0.0100 106 PRO 35 HB2 0.0032 0.0200 0.0107 107 PRO 35 HB3 0.0055 0.0168 0.0119 108 PRO 35 HG2 -0.0024 0.0202 0.0058 109 PRO 35 HG3 0.0003 0.0205 0.0084 110 PRO 35 HD2 -0.0037 0.0138 0.0027 111 PRO 35 HD3 0.0002 0.0130 0.0060 112 ASP 36 N -0.0018 0.0100 0.0044 113 ASP 36 CA -0.0059 0.0040 0.0042 114 ASP 36 C -0.0051 -0.0013 0.0014 115 ASP 36 O -0.0057 -0.0070 -0.0007 116 ASP 36 CB -0.0124 0.0047 0.0086 117 ASP 36 CG -0.0168 -0.0015 0.0086 118 ASP 36 OD1 -0.0173 -0.0035 0.0081 119 ASP 36 OD2 -0.0200 -0.0046 0.0092 120 ASP 36 H -0.0028 0.0125 0.0061 121 ASP 36 HA -0.0047 0.0028 0.0030 122 ASP 36 HB2 -0.0128 0.0083 0.0105 123 ASP 36 HB3 -0.0134 0.0063 0.0100 124 LEU 37 N -0.0013 -0.0006 -0.0007 125 LEU 37 CA -0.0009 -0.0015 -0.0021 126 LEU 37 C 0.0011 -0.0015 -0.0050 127 LEU 37 O 0.0028 0.0006 -0.0055 128 LEU 37 CB -0.0010 0.0001 -0.0006 129 LEU 37 CG -0.0032 -0.0005 0.0020 130 LEU 37 CD1 -0.0047 -0.0035 0.0015 131 LEU 37 CD2 -0.0042 0.0004 0.0043 132 LEU 37 H -0.0008 0.0014 0.0003 133 LEU 37 HA -0.0023 -0.0037 -0.0021 134 LEU 37 HB2 0.0000 0.0023 -0.0001 135 LEU 37 HB3 -0.0002 -0.0003 -0.0020 136 LEU 37 HG -0.0029 0.0007 0.0027 137 LEU 37 HD11 -0.0062 -0.0038 0.0034 138 LEU 37 HD12 -0.0050 -0.0048 0.0008 139 LEU 37 HD13 -0.0040 -0.0041 0.0000 140 LEU 37 HD21 -0.0057 -0.0000 0.0061 141 LEU 37 HD22 -0.0031 0.0026 0.0047 142 LEU 37 HD23 -0.0044 -0.0007 0.0036 143 PRO 38 N 0.0031 -0.0053 -0.0079 144 PRO 38 CA 0.0052 -0.0055 -0.0111 145 PRO 38 C 0.0050 -0.0019 -0.0114 146 PRO 38 O 0.0031 -0.0011 -0.0087 147 PRO 38 CB 0.0054 -0.0099 -0.0106 148 PRO 38 CG 0.0040 -0.0124 -0.0079 149 PRO 38 CD 0.0020 -0.0093 -0.0055 150 PRO 38 HA 0.0068 -0.0054 -0.0136 151 PRO 38 HB2 0.0047 -0.0094 -0.0095 152 PRO 38 HB3 0.0073 -0.0114 -0.0131 153 PRO 38 HG2 0.0032 -0.0147 -0.0064 154 PRO 38 HG3 0.0051 -0.0141 -0.0093 155 PRO 38 HD2 0.0004 -0.0088 -0.0032 156 PRO 38 HD3 0.0015 -0.0103 -0.0046 157 GLY 39 N 0.0039 -0.0012 -0.0144 158 GLY 39 CA 0.0023 0.0016 -0.0147 159 GLY 39 C 0.0009 0.0038 -0.0143 160 GLY 39 O -0.0006 0.0061 -0.0134 161 GLY 39 H 0.0049 -0.0020 -0.0163 162 GLY 39 HA2 0.0026 0.0022 -0.0170 163 GLY 39 HA3 0.0018 0.0017 -0.0129 164 GLY 40 N 0.0025 0.0040 -0.0065 165 GLY 40 CA 0.0027 0.0053 -0.0046 166 GLY 40 C 0.0021 0.0054 -0.0035 167 GLY 40 O 0.0023 0.0065 -0.0019 168 GLY 40 H 0.0018 0.0030 -0.0067 169 GLY 40 HA2 0.0020 0.0051 -0.0038 170 GLY 40 HA3 0.0038 0.0065 -0.0049 171 GLY 41 N 0.0019 0.0025 -0.0052 172 GLY 41 CA 0.0013 0.0026 -0.0039 173 GLY 41 C 0.0016 0.0040 -0.0039 174 GLY 41 O 0.0012 0.0043 -0.0027 175 GLY 41 H 0.0021 0.0016 -0.0060 176 GLY 41 HA2 0.0011 0.0014 -0.0038 177 GLY 41 HA3 0.0009 0.0028 -0.0028 178 LEU 42 N 0.0004 0.0038 -0.0043 179 LEU 42 CA 0.0019 0.0050 -0.0047 180 LEU 42 C 0.0022 0.0050 -0.0066 181 LEU 42 O 0.0034 0.0059 -0.0070 182 LEU 42 CB 0.0027 0.0056 -0.0048 183 LEU 42 CG 0.0025 0.0057 -0.0030 184 LEU 42 CD1 0.0034 0.0064 -0.0033 185 LEU 42 CD2 0.0030 0.0064 -0.0013 186 LEU 42 H -0.0000 0.0034 -0.0048 187 LEU 42 HA 0.0023 0.0055 -0.0036 188 LEU 42 HB2 0.0023 0.0052 -0.0059 189 LEU 42 HB3 0.0038 0.0065 -0.0051 190 LEU 42 HG 0.0014 0.0048 -0.0027 191 LEU 42 HD11 0.0032 0.0064 -0.0020 192 LEU 42 HD12 0.0045 0.0072 -0.0036 193 LEU 42 HD13 0.0029 0.0059 -0.0044 194 LEU 42 HD21 0.0042 0.0072 -0.0016 195 LEU 42 HD22 0.0029 0.0064 -0.0001 196 LEU 42 HD23 0.0024 0.0059 -0.0011 197 HIS 43 N -0.0044 0.0042 -0.0084 198 HIS 43 CA -0.0049 0.0048 -0.0048 199 HIS 43 C -0.0020 0.0040 -0.0016 200 HIS 43 O 0.0014 0.0027 -0.0018 201 HIS 43 CB -0.0043 0.0045 -0.0056 202 HIS 43 CG -0.0068 0.0050 -0.0091 203 HIS 43 ND1 -0.0105 0.0065 -0.0086 204 HIS 43 CD2 -0.0060 0.0043 -0.0131 205 HIS 43 CE1 -0.0119 0.0067 -0.0122 206 HIS 43 NE2 -0.0092 0.0054 -0.0149 207 HIS 43 H -0.0019 0.0031 -0.0096 208 HIS 43 HA -0.0077 0.0060 -0.0036 209 HIS 43 HB2 -0.0013 0.0032 -0.0061 210 HIS 43 HB3 -0.0050 0.0050 -0.0028 211 HIS 43 HD1 -0.0119 0.0074 -0.0061 212 HIS 43 HD2 -0.0033 0.0031 -0.0145 213 HIS 43 HE1 -0.0147 0.0077 -0.0126 214 HIS 43 HE2 -0.0097 0.0052 -0.0179 215 ARG 44 N -0.0002 0.0049 -0.0012 216 ARG 44 CA 0.0005 0.0040 0.0005 217 ARG 44 C 0.0001 0.0048 0.0018 218 ARG 44 O -0.0007 0.0063 0.0018 219 ARG 44 CB 0.0006 0.0040 0.0017 220 ARG 44 CG 0.0007 0.0036 0.0007 221 ARG 44 CD 0.0007 0.0039 0.0020 222 ARG 44 NE 0.0007 0.0036 0.0011 223 ARG 44 CZ 0.0008 0.0036 0.0021 224 ARG 44 NH1 0.0009 0.0038 0.0040 225 ARG 44 NH2 0.0009 0.0033 0.0012 226 ARG 44 H -0.0008 0.0061 -0.0011 227 ARG 44 HA 0.0011 0.0027 0.0002 228 ARG 44 HB2 -0.0000 0.0052 0.0024 229 ARG 44 HB3 0.0012 0.0031 0.0028 230 ARG 44 HG2 0.0013 0.0023 0.0001 231 ARG 44 HG3 0.0001 0.0045 -0.0004 232 ARG 44 HD2 0.0001 0.0051 0.0027 233 ARG 44 HD3 0.0013 0.0030 0.0031 234 ARG 44 HE 0.0007 0.0035 -0.0003 235 ARG 44 HH11 0.0009 0.0040 0.0047 236 ARG 44 HH12 0.0010 0.0038 0.0047 237 ARG 44 HH21 0.0008 0.0031 -0.0003 238 ARG 44 HH22 0.0010 0.0033 0.0018 239 CYS 45 N 0.0015 0.0035 0.0045 240 CYS 45 CA 0.0015 0.0037 0.0049 241 CYS 45 C 0.0017 0.0037 0.0049 242 CYS 45 O 0.0021 0.0036 0.0049 243 CYS 45 CB 0.0016 0.0038 0.0052 244 CYS 45 SG 0.0017 0.0040 0.0058 245 CYS 45 H 0.0018 0.0034 0.0044 246 CYS 45 HA 0.0011 0.0038 0.0049 247 CYS 45 HB2 0.0014 0.0039 0.0052 248 CYS 45 HB3 0.0019 0.0037 0.0052 249 LEU 46 N 0.0024 0.0057 0.0031 250 LEU 46 CA 0.0007 0.0059 0.0065 251 LEU 46 C -0.0010 0.0029 0.0070 252 LEU 46 O -0.0029 0.0016 0.0093 253 LEU 46 CB 0.0015 0.0091 0.0080 254 LEU 46 CG 0.0031 0.0122 0.0078 255 LEU 46 CD1 0.0040 0.0152 0.0090 256 LEU 46 CD2 0.0022 0.0124 0.0097 257 LEU 46 H 0.0037 0.0074 0.0021 258 LEU 46 HA 0.0000 0.0059 0.0078 259 LEU 46 HB2 0.0022 0.0091 0.0067 260 LEU 46 HB3 0.0002 0.0091 0.0105 261 LEU 46 HG 0.0043 0.0120 0.0053 262 LEU 46 HD11 0.0047 0.0151 0.0075 263 LEU 46 HD12 0.0051 0.0174 0.0090 264 LEU 46 HD13 0.0027 0.0152 0.0115 265 LEU 46 HD21 0.0018 0.0103 0.0086 266 LEU 46 HD22 0.0009 0.0123 0.0122 267 LEU 46 HD23 0.0034 0.0146 0.0096 268 ALA 47 N 0.0036 -0.0003 -0.0009 269 ALA 47 CA 0.0019 -0.0022 -0.0020 270 ALA 47 C -0.0001 -0.0037 -0.0022 271 ALA 47 O -0.0020 -0.0052 -0.0025 272 ALA 47 CB 0.0033 -0.0029 -0.0046 273 ALA 47 H 0.0054 0.0003 -0.0019 274 ALA 47 HA 0.0011 -0.0020 -0.0008 275 ALA 47 HB1 0.0020 -0.0043 -0.0053 276 ALA 47 HB2 0.0042 -0.0031 -0.0058 277 ALA 47 HB3 0.0047 -0.0019 -0.0044 278 CYS 48 N 0.0014 0.0026 0.0065 279 CYS 48 CA 0.0026 0.0030 0.0064 280 CYS 48 C 0.0030 0.0033 0.0052 281 CYS 48 O 0.0040 0.0036 0.0050 282 CYS 48 CB 0.0030 0.0030 0.0072 283 CYS 48 SG 0.0028 0.0027 0.0086 284 CYS 48 H 0.0009 0.0025 0.0062 285 CYS 48 HA 0.0030 0.0030 0.0068 286 CYS 48 HB2 0.0027 0.0029 0.0071 287 CYS 48 HB3 0.0039 0.0033 0.0071 288 ALA 49 N 0.0034 0.0028 0.0072 289 ALA 49 CA 0.0038 0.0028 0.0058 290 ALA 49 C 0.0048 0.0024 0.0045 291 ALA 49 O 0.0055 0.0021 0.0036 292 ALA 49 CB 0.0044 0.0023 0.0065 293 ALA 49 H 0.0024 0.0034 0.0074 294 ALA 49 HA 0.0028 0.0034 0.0053 295 ALA 49 HB1 0.0054 0.0017 0.0071 296 ALA 49 HB2 0.0037 0.0026 0.0075 297 ALA 49 HB3 0.0046 0.0024 0.0056 298 ARG 50 N 0.0071 0.0023 0.0019 299 ARG 50 CA 0.0083 0.0018 0.0003 300 ARG 50 C 0.0044 0.0012 -0.0024 301 ARG 50 O 0.0003 0.0018 -0.0014 302 ARG 50 CB 0.0096 0.0028 0.0041 303 ARG 50 CG 0.0139 0.0034 0.0069 304 ARG 50 CD 0.0149 0.0044 0.0106 305 ARG 50 NE 0.0190 0.0050 0.0134 306 ARG 50 CZ 0.0204 0.0060 0.0170 307 ARG 50 NH1 0.0183 0.0065 0.0183 308 ARG 50 NH2 0.0240 0.0064 0.0194 309 ARG 50 H 0.0049 0.0032 0.0043 310 ARG 50 HA 0.0113 0.0009 -0.0018 311 ARG 50 HB2 0.0067 0.0037 0.0063 312 ARG 50 HB3 0.0103 0.0024 0.0027 313 ARG 50 HG2 0.0168 0.0025 0.0048 314 ARG 50 HG3 0.0132 0.0039 0.0084 315 ARG 50 HD2 0.0120 0.0052 0.0127 316 ARG 50 HD3 0.0156 0.0039 0.0091 317 ARG 50 HE 0.0206 0.0045 0.0123 318 ARG 50 HH11 0.0156 0.0062 0.0166 319 ARG 50 HH12 0.0193 0.0072 0.0210 320 ARG 50 HH21 0.0257 0.0061 0.0185 321 ARG 50 HH22 0.0251 0.0072 0.0222 322 TYR 51 N 0.0039 -0.0030 0.0000 323 TYR 51 CA 0.0035 -0.0019 -0.0019 324 TYR 51 C 0.0042 -0.0025 -0.0035 325 TYR 51 O 0.0053 -0.0041 -0.0038 326 TYR 51 CB 0.0039 -0.0022 -0.0026 327 TYR 51 CG 0.0033 -0.0018 -0.0010 328 TYR 51 CD1 0.0039 -0.0032 0.0004 329 TYR 51 CD2 0.0022 -0.0001 -0.0010 330 TYR 51 CE1 0.0034 -0.0029 0.0018 331 TYR 51 CE2 0.0017 0.0002 0.0004 332 TYR 51 CZ 0.0024 -0.0012 0.0019 333 TYR 51 OH 0.0019 -0.0009 0.0033 334 TYR 51 H 0.0047 -0.0043 -0.0001 335 TYR 51 HA 0.0026 -0.0005 -0.0016 336 TYR 51 HB2 0.0048 -0.0036 -0.0030 337 TYR 51 HB3 0.0036 -0.0013 -0.0040 338 TYR 51 HD1 0.0048 -0.0045 0.0004 339 TYR 51 HD2 0.0017 0.0010 -0.0021 340 TYR 51 HE1 0.0039 -0.0040 0.0030 341 TYR 51 HE2 0.0009 0.0015 0.0005 342 TYR 51 HH 0.0025 -0.0019 0.0034 343 PHE 52 N 0.0038 0.0002 -0.0029 344 PHE 52 CA 0.0034 0.0004 -0.0022 345 PHE 52 C 0.0020 -0.0003 -0.0049 346 PHE 52 O 0.0000 -0.0006 -0.0065 347 PHE 52 CB 0.0014 0.0012 0.0006 348 PHE 52 CG 0.0027 0.0018 0.0034 349 PHE 52 CD1 0.0022 0.0020 0.0039 350 PHE 52 CD2 0.0043 0.0023 0.0055 351 PHE 52 CE1 0.0034 0.0026 0.0064 352 PHE 52 CE2 0.0055 0.0029 0.0080 353 PHE 52 CZ 0.0050 0.0031 0.0085 354 PHE 52 H 0.0019 0.0002 -0.0032 355 PHE 52 HA 0.0057 0.0004 -0.0018 356 PHE 52 HB2 -0.0009 0.0011 0.0001 357 PHE 52 HB3 0.0011 0.0013 0.0010 358 PHE 52 HD1 0.0009 0.0016 0.0022 359 PHE 52 HD2 0.0047 0.0022 0.0051 360 PHE 52 HE1 0.0030 0.0027 0.0068 361 PHE 52 HE2 0.0068 0.0033 0.0097 362 PHE 52 HZ 0.0060 0.0035 0.0105 363 ILE 53 N 0.0087 -0.0054 -0.0088 364 ILE 53 CA 0.0087 -0.0031 -0.0184 365 ILE 53 C 0.0015 0.0021 -0.0205 366 ILE 53 O -0.0013 0.0056 -0.0277 367 ILE 53 CB 0.0161 -0.0069 -0.0225 368 ILE 53 CG1 0.0170 -0.0087 -0.0176 369 ILE 53 CG2 0.0233 -0.0116 -0.0224 370 ILE 53 CD1 0.0241 -0.0124 -0.0214 371 ILE 53 H 0.0131 -0.0089 -0.0060 372 ILE 53 HA 0.0086 -0.0023 -0.0216 373 ILE 53 HB 0.0154 -0.0048 -0.0295 374 ILE 53 HG12 0.0175 -0.0107 -0.0105 375 ILE 53 HG13 0.0119 -0.0053 -0.0180 376 ILE 53 HG21 0.0238 -0.0137 -0.0155 377 ILE 53 HG22 0.0226 -0.0103 -0.0263 378 ILE 53 HG23 0.0285 -0.0143 -0.0252 379 ILE 53 HD11 0.0236 -0.0104 -0.0284 380 ILE 53 HD12 0.0244 -0.0135 -0.0175 381 ILE 53 HD13 0.0293 -0.0159 -0.0211 382 ASP 54 N -0.0000 0.0009 -0.0109 383 ASP 54 CA -0.0072 0.0017 -0.0106 384 ASP 54 C -0.0108 0.0029 -0.0042 385 ASP 54 O -0.0072 0.0033 0.0010 386 ASP 54 CB -0.0072 0.0017 -0.0103 387 ASP 54 CG -0.0145 0.0024 -0.0104 388 ASP 54 OD1 -0.0176 0.0019 -0.0162 389 ASP 54 OD2 -0.0173 0.0035 -0.0048 390 ASP 54 H 0.0025 0.0012 -0.0065 391 ASP 54 HA -0.0100 0.0013 -0.0152 392 ASP 54 HB2 -0.0045 0.0008 -0.0148 393 ASP 54 HB3 -0.0046 0.0021 -0.0056 394 SER 55 N -0.0104 0.0010 0.0006 395 SER 55 CA -0.0133 0.0003 0.0036 396 SER 55 C -0.0123 0.0004 0.0086 397 SER 55 O -0.0127 0.0003 0.0115 398 SER 55 CB -0.0182 -0.0008 0.0023 399 SER 55 OG -0.0213 -0.0016 0.0053 400 SER 55 H -0.0118 0.0007 -0.0015 401 SER 55 HA -0.0127 0.0004 0.0032 402 SER 55 HB2 -0.0188 -0.0009 -0.0010 403 SER 55 HB3 -0.0188 -0.0010 0.0023 404 SER 55 HG -0.0219 -0.0018 0.0078 405 THR 56 N -0.0175 -0.0040 0.0133 406 THR 56 CA -0.0177 -0.0010 0.0196 407 THR 56 C -0.0134 0.0048 0.0191 408 THR 56 O -0.0131 0.0067 0.0220 409 THR 56 CB -0.0191 -0.0004 0.0244 410 THR 56 OG1 -0.0229 -0.0058 0.0242 411 THR 56 CG2 -0.0199 0.0020 0.0312 412 THR 56 H -0.0180 -0.0049 0.0128 413 THR 56 HA -0.0200 -0.0034 0.0212 414 THR 56 HB -0.0165 0.0024 0.0229 415 THR 56 HG1 -0.0219 -0.0064 0.0205 416 THR 56 HG21 -0.0209 0.0024 0.0345 417 THR 56 HG22 -0.0224 -0.0008 0.0326 418 THR 56 HG23 -0.0171 0.0060 0.0314 419 ASN 57 N -0.0106 0.0031 0.0144 420 ASN 57 CA -0.0065 0.0052 0.0150 421 ASN 57 C -0.0070 0.0049 0.0146 422 ASN 57 O -0.0050 0.0062 0.0173 423 ASN 57 CB -0.0030 0.0065 0.0114 424 ASN 57 CG -0.0009 0.0077 0.0129 425 ASN 57 OD1 0.0023 0.0096 0.0153 426 ASN 57 ND2 -0.0027 0.0067 0.0116 427 ASN 57 H -0.0108 0.0026 0.0114 428 ASN 57 HA -0.0056 0.0061 0.0186 429 ASN 57 HB2 -0.0046 0.0053 0.0081 430 ASN 57 HB3 -0.0006 0.0076 0.0107 431 ASN 57 HD21 -0.0053 0.0051 0.0097 432 ASN 57 HD22 -0.0014 0.0075 0.0126 433 LEU 58 N -0.0059 0.0035 0.0104 434 LEU 58 CA -0.0051 0.0036 0.0101 435 LEU 58 C -0.0060 0.0044 0.0116 436 LEU 58 O -0.0050 0.0055 0.0122 437 LEU 58 CB -0.0053 0.0020 0.0083 438 LEU 58 CG -0.0048 0.0018 0.0078 439 LEU 58 CD1 -0.0065 0.0016 0.0087 440 LEU 58 CD2 -0.0029 0.0031 0.0081 441 LEU 58 H -0.0067 0.0024 0.0098 442 LEU 58 HA -0.0035 0.0044 0.0099 443 LEU 58 HB2 -0.0043 0.0016 0.0073 444 LEU 58 HB3 -0.0068 0.0012 0.0084 445 LEU 58 HG -0.0046 0.0007 0.0064 446 LEU 58 HD11 -0.0061 0.0014 0.0082 447 LEU 58 HD12 -0.0068 0.0026 0.0100 448 LEU 58 HD13 -0.0078 0.0005 0.0084 449 LEU 58 HD21 -0.0031 0.0042 0.0094 450 LEU 58 HD22 -0.0026 0.0029 0.0076 451 LEU 58 HD23 -0.0017 0.0032 0.0074 452 LYS 59 N -0.0083 0.0008 0.0134 453 LYS 59 CA -0.0074 0.0014 0.0119 454 LYS 59 C -0.0092 0.0038 0.0108 455 LYS 59 O -0.0084 0.0049 0.0088 456 LYS 59 CB -0.0068 -0.0002 0.0132 457 LYS 59 CG -0.0089 -0.0004 0.0153 458 LYS 59 CD -0.0080 -0.0022 0.0166 459 LYS 59 CE -0.0069 -0.0018 0.0151 460 LYS 59 NZ -0.0088 0.0002 0.0146 461 LYS 59 H -0.0087 -0.0004 0.0151 462 LYS 59 HA -0.0058 0.0014 0.0104 463 LYS 59 HB2 -0.0060 0.0002 0.0120 464 LYS 59 HB3 -0.0054 -0.0018 0.0138 465 LYS 59 HG2 -0.0097 -0.0008 0.0165 466 LYS 59 HG3 -0.0102 0.0011 0.0148 467 LYS 59 HD2 -0.0066 -0.0037 0.0170 468 LYS 59 HD3 -0.0095 -0.0024 0.0182 469 LYS 59 HE2 -0.0055 -0.0015 0.0135 470 LYS 59 HE3 -0.0062 -0.0032 0.0161 471 LYS 59 HZ1 -0.0102 -0.0001 0.0161 472 LYS 59 HZ2 -0.0080 0.0004 0.0136 473 LYS 59 HZ3 -0.0096 0.0016 0.0137 474 THR 60 N -0.0086 0.0046 0.0166 475 THR 60 CA -0.0132 0.0058 0.0120 476 THR 60 C -0.0146 0.0063 0.0103 477 THR 60 O -0.0161 0.0081 0.0055 478 THR 60 CB -0.0189 0.0044 0.0138 479 THR 60 OG1 -0.0174 0.0040 0.0152 480 THR 60 CG2 -0.0237 0.0056 0.0091 481 THR 60 H -0.0096 0.0030 0.0202 482 THR 60 HA -0.0114 0.0075 0.0086 483 THR 60 HB -0.0203 0.0028 0.0173 484 THR 60 HG1 -0.0151 0.0029 0.0187 485 THR 60 HG21 -0.0276 0.0046 0.0105 486 THR 60 HG22 -0.0221 0.0073 0.0055 487 THR 60 HG23 -0.0248 0.0059 0.0080 488 HIS 61 N -0.0057 0.0056 0.0114 489 HIS 61 CA -0.0040 0.0066 0.0105 490 HIS 61 C -0.0026 0.0078 0.0097 491 HIS 61 O -0.0016 0.0094 0.0091 492 HIS 61 CB -0.0028 0.0049 0.0103 493 HIS 61 CG -0.0007 0.0055 0.0093 494 HIS 61 ND1 -0.0002 0.0072 0.0088 495 HIS 61 CD2 0.0012 0.0047 0.0087 496 HIS 61 CE1 0.0018 0.0073 0.0080 497 HIS 61 NE2 0.0027 0.0059 0.0078 498 HIS 61 H -0.0058 0.0040 0.0117 499 HIS 61 HA -0.0048 0.0079 0.0106 500 HIS 61 HB2 -0.0037 0.0047 0.0107 501 HIS 61 HB3 -0.0027 0.0033 0.0105 502 HIS 61 HD1 -0.0012 0.0081 0.0091 503 HIS 61 HD2 0.0015 0.0034 0.0088 504 HIS 61 HE1 0.0028 0.0085 0.0074 505 PHE 62 N -0.0015 0.0053 0.0016 506 PHE 62 CA -0.0005 0.0051 0.0002 507 PHE 62 C -0.0006 0.0055 -0.0007 508 PHE 62 O 0.0001 0.0054 -0.0019 509 PHE 62 CB 0.0010 0.0042 0.0004 510 PHE 62 CG 0.0013 0.0037 0.0015 511 PHE 62 CD1 0.0009 0.0040 0.0012 512 PHE 62 CD2 0.0020 0.0029 0.0027 513 PHE 62 CE1 0.0012 0.0036 0.0021 514 PHE 62 CE2 0.0022 0.0025 0.0037 515 PHE 62 CZ 0.0019 0.0028 0.0034 516 PHE 62 H -0.0012 0.0048 0.0026 517 PHE 62 HA -0.0008 0.0055 -0.0005 518 PHE 62 HB2 0.0015 0.0038 0.0008 519 PHE 62 HB3 0.0016 0.0042 -0.0007 520 PHE 62 HD1 0.0004 0.0046 0.0002 521 PHE 62 HD2 0.0023 0.0027 0.0029 522 PHE 62 HE1 0.0009 0.0038 0.0019 523 PHE 62 HE2 0.0027 0.0019 0.0047 524 PHE 62 HZ 0.0021 0.0024 0.0042 525 ARG 63 N 0.0016 0.0031 0.0186 526 ARG 63 CA -0.0018 0.0085 0.0006 527 ARG 63 C -0.0059 0.0039 -0.0007 528 ARG 63 O -0.0097 0.0068 -0.0150 529 ARG 63 CB -0.0114 0.0036 -0.0131 530 ARG 63 CG -0.0065 0.0108 -0.0148 531 ARG 63 CD -0.0163 0.0055 -0.0284 532 ARG 63 NE -0.0212 0.0088 -0.0460 533 ARG 63 CZ -0.0284 0.0076 -0.0610 534 ARG 63 NH1 -0.0312 0.0039 -0.0609 535 ARG 63 NH2 -0.0327 0.0103 -0.0760 536 ARG 63 H -0.0040 -0.0057 0.0214 537 ARG 63 HA 0.0066 0.0209 -0.0020 538 ARG 63 HB2 -0.0193 -0.0087 -0.0093 539 ARG 63 HB3 -0.0143 0.0068 -0.0259 540 ARG 63 HG2 0.0012 0.0231 -0.0189 541 ARG 63 HG3 -0.0034 0.0078 -0.0020 542 ARG 63 HD2 -0.0123 0.0112 -0.0294 543 ARG 63 HD3 -0.0239 -0.0068 -0.0239 544 ARG 63 HE -0.0190 0.0119 -0.0463 545 ARG 63 HH11 -0.0280 0.0021 -0.0498 546 ARG 63 HH12 -0.0366 0.0029 -0.0720 547 ARG 63 HH21 -0.0305 0.0132 -0.0764 548 ARG 63 HH22 -0.0382 0.0095 -0.0876 549 SER 64 N 0.0059 0.0040 0.0018 550 SER 64 CA 0.0064 0.0053 0.0009 551 SER 64 C 0.0060 0.0038 -0.0001 552 SER 64 O 0.0059 0.0028 -0.0019 553 SER 64 CB 0.0071 0.0067 -0.0009 554 SER 64 OG 0.0073 0.0077 -0.0002 555 SER 64 H 0.0059 0.0037 0.0008 556 SER 64 HA 0.0066 0.0063 0.0022 557 SER 64 HB2 0.0069 0.0056 -0.0023 558 SER 64 HB3 0.0075 0.0078 -0.0014 559 SER 64 HG 0.0075 0.0088 0.0008 560 LYS 65 N 0.0141 -0.0012 -0.0028 561 LYS 65 CA 0.0033 -0.0057 0.0021 562 LYS 65 C 0.0020 -0.0054 -0.0003 563 LYS 65 O -0.0082 -0.0078 -0.0021 564 LYS 65 CB 0.0019 -0.0099 0.0159 565 LYS 65 CG 0.0132 -0.0093 0.0251 566 LYS 65 CD 0.0167 -0.0088 0.0267 567 LYS 65 CE 0.0278 -0.0082 0.0358 568 LYS 65 NZ 0.0318 -0.0074 0.0371 569 LYS 65 H 0.0203 -0.0010 0.0027 570 LYS 65 HA -0.0043 -0.0063 -0.0033 571 LYS 65 HB2 -0.0055 -0.0130 0.0191 572 LYS 65 HB3 -0.0006 -0.0108 0.0162 573 LYS 65 HG2 0.0112 -0.0124 0.0339 574 LYS 65 HG3 0.0208 -0.0063 0.0219 575 LYS 65 HD2 0.0187 -0.0058 0.0180 576 LYS 65 HD3 0.0090 -0.0119 0.0301 577 LYS 65 HE2 0.0254 -0.0114 0.0446 578 LYS 65 HE3 0.0351 -0.0052 0.0327 579 LYS 65 HZ1 0.0250 -0.0102 0.0400 580 LYS 65 HZ2 0.0345 -0.0043 0.0288 581 LYS 65 HZ3 0.0393 -0.0071 0.0435 582 ASP 66 N 0.0065 -0.0044 -0.0031 583 ASP 66 CA 0.0030 -0.0035 -0.0081 584 ASP 66 C 0.0012 -0.0017 -0.0104 585 ASP 66 O -0.0015 -0.0028 -0.0146 586 ASP 66 CB 0.0020 0.0009 -0.0086 587 ASP 66 CG -0.0015 0.0012 -0.0136 588 ASP 66 OD1 -0.0020 -0.0019 -0.0152 589 ASP 66 OD2 -0.0036 0.0047 -0.0161 590 ASP 66 H 0.0077 -0.0017 -0.0007 591 ASP 66 HA 0.0025 -0.0075 -0.0099 592 ASP 66 HB2 0.0036 -0.0002 -0.0064 593 ASP 66 HB3 0.0023 0.0049 -0.0072 594 HIS 67 N 0.0039 -0.0014 -0.0101 595 HIS 67 CA 0.0039 -0.0013 -0.0097 596 HIS 67 C 0.0049 -0.0027 -0.0101 597 HIS 67 O 0.0047 -0.0029 -0.0111 598 HIS 67 CB 0.0040 -0.0006 -0.0077 599 HIS 67 CG 0.0039 -0.0002 -0.0071 600 HIS 67 ND1 0.0032 0.0002 -0.0082 601 HIS 67 CD2 0.0042 0.0001 -0.0054 602 HIS 67 CE1 0.0029 0.0009 -0.0072 603 HIS 67 NE2 0.0035 0.0009 -0.0055 604 HIS 67 H 0.0040 -0.0012 -0.0092 605 HIS 67 HA 0.0030 -0.0005 -0.0105 606 HIS 67 HB2 0.0032 0.0005 -0.0073 607 HIS 67 HB3 0.0049 -0.0013 -0.0069 608 HIS 67 HD1 0.0028 0.0001 -0.0095 609 HIS 67 HD2 0.0049 -0.0004 -0.0044 610 HIS 67 HE1 0.0024 0.0014 -0.0076 611 LYS 68 N 0.0036 0.0016 -0.0097 612 LYS 68 CA 0.0032 0.0005 -0.0099 613 LYS 68 C 0.0033 0.0005 -0.0103 614 LYS 68 O 0.0032 -0.0003 -0.0110 615 LYS 68 CB 0.0026 -0.0000 -0.0089 616 LYS 68 CG 0.0025 0.0001 -0.0085 617 LYS 68 CD 0.0019 -0.0004 -0.0075 618 LYS 68 CE 0.0018 0.0001 -0.0065 619 LYS 68 NZ 0.0012 -0.0003 -0.0055 620 LYS 68 H 0.0034 0.0019 -0.0089 621 LYS 68 HA 0.0032 0.0001 -0.0106 622 LYS 68 HB2 0.0025 0.0003 -0.0083 623 LYS 68 HB3 0.0023 -0.0009 -0.0091 624 LYS 68 HG2 0.0026 -0.0002 -0.0092 625 LYS 68 HG3 0.0028 0.0009 -0.0083 626 LYS 68 HD2 0.0016 -0.0013 -0.0077 627 LYS 68 HD3 0.0018 -0.0004 -0.0072 628 LYS 68 HE2 0.0021 0.0010 -0.0064 629 LYS 68 HE3 0.0018 0.0000 -0.0068 630 LYS 68 HZ1 0.0009 -0.0012 -0.0056 631 LYS 68 HZ2 0.0011 0.0000 -0.0049 632 LYS 68 HZ3 0.0012 -0.0002 -0.0053 633 LYS 69 N 0.0072 -0.0061 -0.0110 634 LYS 69 CA 0.0054 -0.0085 -0.0145 635 LYS 69 C 0.0005 -0.0078 -0.0098 636 LYS 69 O 0.0016 -0.0073 -0.0097 637 LYS 69 CB 0.0015 -0.0125 -0.0201 638 LYS 69 CG -0.0028 -0.0156 -0.0234 639 LYS 69 CD -0.0067 -0.0193 -0.0281 640 LYS 69 CE -0.0117 -0.0228 -0.0316 641 LYS 69 NZ -0.0155 -0.0262 -0.0358 642 LYS 69 H 0.0061 -0.0073 -0.0127 643 LYS 69 HA 0.0101 -0.0079 -0.0167 644 LYS 69 HB2 0.0054 -0.0131 -0.0240 645 LYS 69 HB3 -0.0019 -0.0127 -0.0180 646 LYS 69 HG2 -0.0063 -0.0148 -0.0193 647 LYS 69 HG3 0.0007 -0.0158 -0.0261 648 LYS 69 HD2 -0.0028 -0.0199 -0.0319 649 LYS 69 HD3 -0.0096 -0.0189 -0.0252 650 LYS 69 HE2 -0.0155 -0.0223 -0.0279 651 LYS 69 HE3 -0.0087 -0.0234 -0.0348 652 LYS 69 HZ1 -0.0192 -0.0286 -0.0382 653 LYS 69 HZ2 -0.0182 -0.0255 -0.0327 654 LYS 69 HZ3 -0.0119 -0.0267 -0.0393 655 ARG 70 N -0.0002 -0.0068 -0.0114 656 ARG 70 CA 0.0032 -0.0102 -0.0046 657 ARG 70 C 0.0026 -0.0063 -0.0035 658 ARG 70 O 0.0049 -0.0050 0.0033 659 ARG 70 CB 0.0052 -0.0198 -0.0061 660 ARG 70 CG 0.0090 -0.0240 0.0012 661 ARG 70 CD 0.0113 -0.0220 0.0088 662 ARG 70 NE 0.0150 -0.0255 0.0159 663 ARG 70 CZ 0.0170 -0.0222 0.0236 664 ARG 70 NH1 0.0157 -0.0150 0.0252 665 ARG 70 NH2 0.0203 -0.0260 0.0297 666 ARG 70 H -0.0012 -0.0105 -0.0164 667 ARG 70 HA 0.0048 -0.0086 0.0007 668 ARG 70 HB2 0.0052 -0.0225 -0.0078 669 ARG 70 HB3 0.0036 -0.0212 -0.0111 670 ARG 70 HG2 0.0102 -0.0307 -0.0002 671 ARG 70 HG3 0.0089 -0.0217 0.0025 672 ARG 70 HD2 0.0101 -0.0152 0.0101 673 ARG 70 HD3 0.0115 -0.0245 0.0076 674 ARG 70 HE 0.0159 -0.0308 0.0149 675 ARG 70 HH11 0.0133 -0.0120 0.0208 676 ARG 70 HH12 0.0172 -0.0124 0.0309 677 ARG 70 HH21 0.0213 -0.0313 0.0287 678 ARG 70 HH22 0.0219 -0.0237 0.0356 679 LEU 71 N 0.0048 -0.0054 -0.0078 680 LEU 71 CA 0.0038 -0.0035 -0.0083 681 LEU 71 C 0.0024 -0.0017 -0.0068 682 LEU 71 O 0.0015 -0.0005 -0.0059 683 LEU 71 CB 0.0040 -0.0026 -0.0110 684 LEU 71 CG 0.0053 -0.0042 -0.0129 685 LEU 71 CD1 0.0052 -0.0031 -0.0155 686 LEU 71 CD2 0.0056 -0.0050 -0.0122 687 LEU 71 H 0.0053 -0.0059 -0.0091 688 LEU 71 HA 0.0039 -0.0038 -0.0078 689 LEU 71 HB2 0.0038 -0.0022 -0.0115 690 LEU 71 HB3 0.0032 -0.0011 -0.0113 691 LEU 71 HG 0.0060 -0.0056 -0.0127 692 LEU 71 HD11 0.0045 -0.0017 -0.0156 693 LEU 71 HD12 0.0051 -0.0026 -0.0159 694 LEU 71 HD13 0.0062 -0.0042 -0.0167 695 LEU 71 HD21 0.0057 -0.0059 -0.0104 696 LEU 71 HD22 0.0048 -0.0036 -0.0123 697 LEU 71 HD23 0.0065 -0.0060 -0.0136 698 LYS 72 N -0.0008 0.0006 -0.0046 699 LYS 72 CA -0.0005 0.0048 -0.0032 700 LYS 72 C -0.0006 0.0040 0.0021 701 LYS 72 O -0.0004 0.0075 0.0052 702 LYS 72 CB -0.0004 0.0054 -0.0070 703 LYS 72 CG -0.0000 0.0098 -0.0059 704 LYS 72 CD 0.0001 0.0103 -0.0101 705 LYS 72 CE 0.0004 0.0147 -0.0091 706 LYS 72 NZ 0.0005 0.0154 -0.0132 707 LYS 72 H -0.0010 -0.0014 -0.0076 708 LYS 72 HA -0.0002 0.0082 -0.0032 709 LYS 72 HB2 -0.0003 0.0060 -0.0107 710 LYS 72 HB3 -0.0007 0.0020 -0.0070 711 LYS 72 HG2 -0.0001 0.0091 -0.0024 712 LYS 72 HG3 0.0003 0.0132 -0.0057 713 LYS 72 HD2 0.0002 0.0109 -0.0136 714 LYS 72 HD3 -0.0002 0.0069 -0.0103 715 LYS 72 HE2 0.0003 0.0141 -0.0056 716 LYS 72 HE3 0.0007 0.0181 -0.0087 717 LYS 72 HZ1 0.0003 0.0123 -0.0136 718 LYS 72 HZ2 0.0007 0.0162 -0.0166 719 LYS 72 HZ3 0.0008 0.0185 -0.0124 720 GLN 73 N 0.0033 0.0035 0.0068 721 GLN 73 CA 0.0060 0.0023 0.0148 722 GLN 73 C 0.0076 0.0005 0.0186 723 GLN 73 O 0.0087 0.0033 0.0249 724 GLN 73 CB 0.0079 -0.0043 0.0157 725 GLN 73 CG 0.0067 -0.0030 0.0126 726 GLN 73 CD 0.0086 -0.0098 0.0133 727 GLN 73 OE1 0.0102 -0.0164 0.0130 728 GLN 73 NE2 0.0085 -0.0083 0.0141 729 GLN 73 H 0.0031 -0.0002 0.0029 730 GLN 73 HA 0.0055 0.0074 0.0176 731 GLN 73 HB2 0.0084 -0.0094 0.0128 732 GLN 73 HB3 0.0099 -0.0053 0.0217 733 GLN 73 HG2 0.0064 0.0019 0.0157 734 GLN 73 HG3 0.0047 -0.0019 0.0067 735 GLN 73 HE21 0.0072 -0.0029 0.0143 736 GLN 73 HE22 0.0097 -0.0125 0.0146 737 LEU 74 N 0.0063 -0.0023 0.0135 738 LEU 74 CA 0.0071 -0.0036 0.0148 739 LEU 74 C 0.0043 0.0022 0.0138 740 LEU 74 O 0.0046 0.0023 0.0159 741 LEU 74 CB 0.0090 -0.0094 0.0103 742 LEU 74 CG 0.0103 -0.0120 0.0114 743 LEU 74 CD1 0.0124 -0.0139 0.0187 744 LEU 74 CD2 0.0121 -0.0177 0.0064 745 LEU 74 H 0.0062 -0.0038 0.0091 746 LEU 74 HA 0.0085 -0.0048 0.0200 747 LEU 74 HB2 0.0107 -0.0131 0.0106 748 LEU 74 HB3 0.0074 -0.0078 0.0052 749 LEU 74 HG 0.0086 -0.0084 0.0106 750 LEU 74 HD11 0.0134 -0.0158 0.0194 751 LEU 74 HD12 0.0142 -0.0174 0.0198 752 LEU 74 HD13 0.0111 -0.0098 0.0223 753 LEU 74 HD21 0.0139 -0.0213 0.0072 754 LEU 74 HD22 0.0130 -0.0194 0.0073 755 LEU 74 HD23 0.0106 -0.0162 0.0012 756 SER 75 N 0.0013 0.0019 0.0080 757 SER 75 CA -0.0043 0.0069 0.0056 758 SER 75 C -0.0051 0.0053 -0.0028 759 SER 75 O -0.0088 0.0082 -0.0052 760 SER 75 CB -0.0054 0.0097 0.0116 761 SER 75 OG -0.0110 0.0147 0.0096 762 SER 75 H 0.0015 0.0017 0.0081 763 SER 75 HA -0.0074 0.0100 0.0055 764 SER 75 HB2 -0.0049 0.0108 0.0173 765 SER 75 HB3 -0.0023 0.0066 0.0117 766 SER 75 HG -0.0125 0.0176 0.0143 767 VAL 76 N -0.0015 0.0017 -0.0054 768 VAL 76 CA -0.0013 0.0014 -0.0100 769 VAL 76 C -0.0040 0.0041 -0.0127 770 VAL 76 O -0.0058 0.0059 -0.0147 771 VAL 76 CB 0.0017 -0.0018 -0.0121 772 VAL 76 CG1 0.0019 -0.0021 -0.0169 773 VAL 76 CG2 0.0045 -0.0046 -0.0096 774 VAL 76 H 0.0000 0.0001 -0.0041 775 VAL 76 HA -0.0014 0.0014 -0.0101 776 VAL 76 HB 0.0017 -0.0018 -0.0120 777 VAL 76 HG11 0.0040 -0.0043 -0.0183 778 VAL 76 HG12 0.0018 -0.0020 -0.0171 779 VAL 76 HG13 -0.0000 -0.0002 -0.0188 780 VAL 76 HG21 0.0065 -0.0068 -0.0110 781 VAL 76 HG22 0.0043 -0.0044 -0.0062 782 VAL 76 HG23 0.0045 -0.0046 -0.0096 783 GLU 77 N -0.0072 0.0053 -0.0158 784 GLU 77 CA -0.0083 0.0058 -0.0162 785 GLU 77 C -0.0089 0.0043 -0.0134 786 GLU 77 O -0.0067 0.0031 -0.0122 787 GLU 77 CB -0.0059 0.0066 -0.0184 788 GLU 77 CG -0.0024 0.0054 -0.0178 789 GLU 77 CD -0.0003 0.0062 -0.0199 790 GLU 77 OE1 0.0005 0.0074 -0.0223 791 GLU 77 OE2 0.0007 0.0056 -0.0192 792 GLU 77 H -0.0058 0.0041 -0.0143 793 GLU 77 HA -0.0105 0.0068 -0.0171 794 GLU 77 HB2 -0.0067 0.0067 -0.0183 795 GLU 77 HB3 -0.0061 0.0078 -0.0205 796 GLU 77 HG2 -0.0016 0.0053 -0.0179 797 GLU 77 HG3 -0.0023 0.0042 -0.0157 798 PRO 78 N -0.0152 0.0088 -0.0135 799 PRO 78 CA -0.0160 0.0064 -0.0109 800 PRO 78 C -0.0135 0.0079 -0.0140 801 PRO 78 O -0.0146 0.0123 -0.0171 802 PRO 78 CB -0.0220 0.0084 -0.0083 803 PRO 78 CG -0.0242 0.0105 -0.0086 804 PRO 78 CD -0.0202 0.0122 -0.0130 805 PRO 78 HA -0.0144 0.0025 -0.0086 806 PRO 78 HB2 -0.0232 0.0111 -0.0099 807 PRO 78 HB3 -0.0232 0.0055 -0.0048 808 PRO 78 HG2 -0.0279 0.0135 -0.0085 809 PRO 78 HG3 -0.0246 0.0077 -0.0058 810 PRO 78 HD2 -0.0210 0.0159 -0.0157 811 PRO 78 HD3 -0.0203 0.0120 -0.0127 812 TYR 79 N -0.0091 -0.0005 -0.0160 813 TYR 79 CA -0.0055 -0.0013 -0.0132 814 TYR 79 C -0.0028 0.0032 -0.0127 815 TYR 79 O -0.0030 0.0055 -0.0136 816 TYR 79 CB -0.0063 -0.0042 -0.0128 817 TYR 79 CG -0.0085 -0.0089 -0.0128 818 TYR 79 CD1 -0.0125 -0.0099 -0.0154 819 TYR 79 CD2 -0.0066 -0.0124 -0.0103 820 TYR 79 CE1 -0.0145 -0.0141 -0.0155 821 TYR 79 CE2 -0.0086 -0.0167 -0.0103 822 TYR 79 CZ -0.0125 -0.0176 -0.0129 823 TYR 79 OH -0.0146 -0.0219 -0.0129 824 TYR 79 H -0.0095 -0.0014 -0.0160 825 TYR 79 HA -0.0041 -0.0030 -0.0116 826 TYR 79 HB2 -0.0079 -0.0026 -0.0145 827 TYR 79 HB3 -0.0035 -0.0045 -0.0107 828 TYR 79 HD1 -0.0141 -0.0072 -0.0174 829 TYR 79 HD2 -0.0034 -0.0118 -0.0082 830 TYR 79 HE1 -0.0176 -0.0148 -0.0175 831 TYR 79 HE2 -0.0070 -0.0194 -0.0083 832 TYR 79 HH -0.0134 -0.0228 -0.0118 833 SER 80 N -0.0004 0.0000 -0.0118 834 SER 80 CA 0.0006 0.0012 -0.0120 835 SER 80 C 0.0014 0.0010 -0.0108 836 SER 80 O 0.0010 -0.0001 -0.0099 837 SER 80 CB 0.0014 0.0020 -0.0121 838 SER 80 OG 0.0023 0.0032 -0.0125 839 SER 80 H -0.0002 -0.0003 -0.0112 840 SER 80 HA 0.0003 0.0015 -0.0129 841 SER 80 HB2 0.0008 0.0021 -0.0130 842 SER 80 HB3 0.0017 0.0017 -0.0112 843 SER 80 HG 0.0019 0.0036 -0.0134 844 GLN 81 N 0.0021 0.0022 -0.0063 845 GLN 81 CA 0.0022 0.0022 -0.0035 846 GLN 81 C 0.0022 0.0028 -0.0026 847 GLN 81 O 0.0022 0.0041 -0.0040 848 GLN 81 CB 0.0023 0.0043 -0.0025 849 GLN 81 CG 0.0023 0.0042 0.0004 850 GLN 81 CD 0.0024 0.0063 0.0015 851 GLN 81 OE1 0.0025 0.0084 0.0005 852 GLN 81 NE2 0.0025 0.0057 0.0036 853 GLN 81 H 0.0021 0.0035 -0.0073 854 GLN 81 HA 0.0021 0.0004 -0.0028 855 GLN 81 HB2 0.0022 0.0041 -0.0034 856 GLN 81 HB3 0.0023 0.0062 -0.0030 857 GLN 81 HG2 0.0024 0.0043 0.0013 858 GLN 81 HG3 0.0023 0.0024 0.0009 859 GLN 81 HE21 0.0024 0.0039 0.0042 860 GLN 81 HE22 0.0025 0.0070 0.0044 861 GLU 82 N -0.0023 0.0002 0.0018 862 GLU 82 CA -0.0038 0.0034 0.0004 863 GLU 82 C 0.0000 0.0019 -0.0040 864 GLU 82 O -0.0004 0.0040 -0.0057 865 GLU 82 CB -0.0071 0.0091 -0.0011 866 GLU 82 CG -0.0090 0.0128 -0.0025 867 GLU 82 CD -0.0123 0.0182 -0.0036 868 GLU 82 OE1 -0.0113 0.0205 -0.0081 869 GLU 82 OE2 -0.0161 0.0203 -0.0001 870 GLU 82 H -0.0022 -0.0028 0.0051 871 GLU 82 HA -0.0052 0.0022 0.0040 872 GLU 82 HB2 -0.0097 0.0098 0.0022 873 GLU 82 HB3 -0.0057 0.0101 -0.0046 874 GLU 82 HG2 -0.0065 0.0124 -0.0060 875 GLU 82 HG3 -0.0103 0.0118 0.0009 876 GLU 83 N 0.0024 -0.0008 -0.0025 877 GLU 83 CA 0.0024 -0.0032 -0.0040 878 GLU 83 C 0.0029 -0.0050 -0.0035 879 GLU 83 O 0.0036 -0.0071 -0.0027 880 GLU 83 CB 0.0013 -0.0026 -0.0067 881 GLU 83 CG 0.0012 -0.0050 -0.0084 882 GLU 83 CD 0.0001 -0.0043 -0.0109 883 GLU 83 OE1 -0.0004 -0.0036 -0.0122 884 GLU 83 OE2 -0.0001 -0.0044 -0.0117 885 GLU 83 H 0.0022 0.0000 -0.0026 886 GLU 83 HA 0.0028 -0.0040 -0.0034 887 GLU 83 HB2 0.0010 -0.0014 -0.0069 888 GLU 83 HB3 0.0009 -0.0017 -0.0072 889 GLU 83 HG2 0.0014 -0.0061 -0.0084 890 GLU 83 HG3 0.0016 -0.0060 -0.0077 891 ALA 84 N 0.0040 -0.0068 -0.0031 892 ALA 84 CA 0.0056 -0.0100 -0.0019 893 ALA 84 C 0.0062 -0.0089 0.0030 894 ALA 84 O 0.0071 -0.0104 0.0044 895 ALA 84 CB 0.0049 -0.0103 -0.0053 896 ALA 84 H 0.0027 -0.0040 -0.0041 897 ALA 84 HA 0.0068 -0.0131 -0.0019 898 ALA 84 HB1 0.0061 -0.0127 -0.0042 899 ALA 84 HB2 0.0037 -0.0071 -0.0053 900 ALA 84 HB3 0.0046 -0.0114 -0.0086 901 GLU 85 N 0.0042 -0.0109 0.0053 902 GLU 85 CA 0.0017 -0.0114 0.0093 903 GLU 85 C -0.0006 -0.0069 0.0109 904 GLU 85 O -0.0011 -0.0031 0.0100 905 GLU 85 CB 0.0018 -0.0116 0.0092 906 GLU 85 CG -0.0005 -0.0131 0.0134 907 GLU 85 CD -0.0034 -0.0093 0.0162 908 GLU 85 OE1 -0.0041 -0.0062 0.0159 909 GLU 85 OE2 -0.0051 -0.0093 0.0188 910 GLU 85 H 0.0040 -0.0079 0.0043 911 GLU 85 HA 0.0014 -0.0145 0.0111 912 GLU 85 HB2 0.0038 -0.0141 0.0072 913 GLU 85 HB3 0.0017 -0.0081 0.0079 914 GLU 85 HG2 -0.0005 -0.0158 0.0146 915 GLU 85 HG3 0.0002 -0.0144 0.0130 916 ARG 86 N 0.0002 -0.0077 0.0203 917 ARG 86 CA -0.0005 -0.0095 0.0174 918 ARG 86 C 0.0007 -0.0093 0.0151 919 ARG 86 O 0.0027 -0.0074 0.0151 920 ARG 86 CB -0.0001 -0.0098 0.0158 921 ARG 86 CG 0.0024 -0.0074 0.0157 922 ARG 86 CD 0.0046 -0.0061 0.0137 923 ARG 86 NE 0.0069 -0.0038 0.0140 924 ARG 86 CZ 0.0091 -0.0020 0.0131 925 ARG 86 NH1 0.0095 -0.0022 0.0116 926 ARG 86 NH2 0.0110 0.0000 0.0136 927 ARG 86 H 0.0020 -0.0060 0.0203 928 ARG 86 HA -0.0024 -0.0111 0.0180 929 ARG 86 HB2 -0.0002 -0.0108 0.0134 930 ARG 86 HB3 -0.0016 -0.0107 0.0170 931 ARG 86 HG2 0.0023 -0.0079 0.0147 932 ARG 86 HG3 0.0025 -0.0064 0.0181 933 ARG 86 HD2 0.0046 -0.0058 0.0145 934 ARG 86 HD3 0.0045 -0.0071 0.0113 935 ARG 86 HE 0.0066 -0.0036 0.0150 936 ARG 86 HH11 0.0081 -0.0036 0.0112 937 ARG 86 HH12 0.0111 -0.0008 0.0109 938 ARG 86 HH21 0.0108 0.0002 0.0146 939 ARG 86 HH22 0.0127 0.0014 0.0129 940 ALA 87 N -0.0036 -0.0074 0.0196 941 ALA 87 CA -0.0024 -0.0073 0.0208 942 ALA 87 C 0.0007 -0.0098 0.0085 943 ALA 87 O -0.0034 -0.0101 0.0049 944 ALA 87 CB -0.0145 -0.0055 0.0252 945 ALA 87 H -0.0112 -0.0074 0.0159 946 ALA 87 HA 0.0048 -0.0068 0.0273 947 ALA 87 HB1 -0.0217 -0.0060 0.0187 948 ALA 87 HB2 -0.0166 -0.0038 0.0339 949 ALA 87 HB3 -0.0137 -0.0055 0.0258 950 ALA 88 N 0.0092 -0.0133 0.0079 951 ALA 88 CA 0.0085 -0.0133 0.0107 952 ALA 88 C 0.0038 -0.0022 0.0092 953 ALA 88 O -0.0008 0.0034 0.0171 954 ALA 88 CB 0.0078 -0.0183 0.0226 955 ALA 88 H 0.0061 -0.0082 0.0110 956 ALA 88 HA 0.0121 -0.0178 0.0050 957 ALA 88 HB1 0.0042 -0.0138 0.0284 958 ALA 88 HB2 0.0113 -0.0262 0.0234 959 ALA 88 HB3 0.0074 -0.0183 0.0243 960 GLY 89 N 0.0011 0.0043 -0.0020 961 GLY 89 CA -0.0238 0.0156 -0.0044 962 GLY 89 C -0.0158 0.0165 -0.0185 963 GLY 89 O 0.0008 0.0061 -0.0072 964 GLY 89 H 0.0192 0.0003 -0.0140 965 GLY 89 HA2 -0.0346 0.0135 0.0176 966 GLY 89 HA3 -0.0377 0.0256 -0.0177 967 MET 90 N 0.0134 0.0302 -0.0665 968 MET 90 CA 0.0048 0.0265 -0.0482 969 MET 90 C -0.0188 0.0162 0.0004 970 MET 90 O -0.0002 0.0294 0.0387 971 MET 90 CB 0.0455 0.0500 -0.0459 972 MET 90 CG 0.0398 0.0473 -0.0368 973 MET 90 SD 0.0144 0.0365 0.0203 974 MET 90 CE 0.0178 0.0384 0.0182 975 MET 90 H 0.0007 0.0210 -0.0969 976 MET 90 HA -0.0161 0.0129 -0.0733 977 MET 90 HB2 0.0629 0.0577 -0.0797 978 MET 90 HB3 0.0642 0.0626 -0.0177 979 MET 90 HG2 0.0211 0.0347 -0.0651 980 MET 90 HG3 0.0703 0.0646 -0.0391 981 MET 90 HE1 0.0014 0.0269 -0.0125 982 MET 90 HE2 0.0038 0.0325 0.0508 983 MET 90 HE3 0.0503 0.0567 0.0150 984 GLY 91 N -0.0507 -0.0086 0.0107 985 GLY 91 CA -0.0515 -0.0352 0.0317 986 GLY 91 C -0.0396 -0.0229 0.0232 987 GLY 91 O -0.0649 -0.0231 0.0208 988 GLY 91 H -0.0682 0.0096 -0.0054 989 GLY 91 HA2 -0.0300 -0.0526 0.0477 990 GLY 91 HA3 -0.0823 -0.0466 0.0378 991 SER 92 N 0.0093 -0.0097 -0.0030 992 SER 92 CA -0.0046 -0.0502 0.0564 993 SER 92 C -0.0673 -0.0096 0.0384 994 SER 92 O -0.1475 0.0272 0.0348 995 SER 92 CB -0.0449 -0.0962 0.1370 996 SER 92 OG 0.0155 -0.1334 0.1519 997 SER 92 H -0.0445 0.0179 -0.0092 998 SER 92 HA 0.0621 -0.0788 0.0568 999 SER 92 HB2 -0.1117 -0.0683 0.1375 1000 SER 92 HB3 -0.0520 -0.1288 0.1826 1001 SER 92 HG 0.0595 -0.1131 0.1021 1002 TYR 93 N 0.0246 0.0454 -0.1570 1003 TYR 93 CA 0.0272 0.0420 -0.1041 1004 TYR 93 C 0.0136 0.0221 -0.0914 1005 TYR 93 O -0.0029 0.0038 -0.1232 1006 TYR 93 CB 0.0100 0.0162 -0.0836 1007 TYR 93 CG 0.0142 0.0148 -0.0281 1008 TYR 93 CD1 0.0373 0.0431 -0.0060 1009 TYR 93 CD2 -0.0048 -0.0148 0.0019 1010 TYR 93 CE1 0.0415 0.0423 0.0443 1011 TYR 93 CE2 -0.0007 -0.0157 0.0523 1012 TYR 93 CZ 0.0224 0.0128 0.0732 1013 TYR 93 OH 0.0266 0.0120 0.1236 1014 TYR 93 H 0.0047 0.0206 -0.1742 1015 TYR 93 HA 0.0502 0.0713 -0.0900 1016 TYR 93 HB2 0.0171 0.0277 -0.0994 1017 TYR 93 HB3 -0.0132 -0.0138 -0.0945 1018 TYR 93 HD1 0.0522 0.0662 -0.0289 1019 TYR 93 HD2 -0.0229 -0.0372 -0.0147 1020 TYR 93 HE1 0.0597 0.0648 0.0608 1021 TYR 93 HE2 -0.0156 -0.0389 0.0752 1022 TYR 93 HH 0.0258 0.0092 0.1375 1023 VAL 94 N 0.0056 0.0089 -0.0505 1024 VAL 94 CA 0.0173 -0.0061 -0.0160 1025 VAL 94 C 0.0692 -0.0210 -0.0221 1026 VAL 94 O 0.0851 -0.0150 -0.0567 1027 VAL 94 CB -0.0149 0.0035 -0.0133 1028 VAL 94 CG1 -0.0142 0.0182 -0.0594 1029 VAL 94 CG2 -0.0025 -0.0127 0.0246 1030 VAL 94 H -0.0173 0.0232 -0.0718 1031 VAL 94 HA 0.0122 -0.0150 0.0166 1032 VAL 94 HB -0.0498 0.0120 -0.0044 1033 VAL 94 HG11 -0.0369 0.0244 -0.0557 1034 VAL 94 HG12 0.0206 0.0103 -0.0702 1035 VAL 94 HG13 -0.0258 0.0303 -0.0850 1036 VAL 94 HG21 0.0329 -0.0220 0.0175 1037 VAL 94 HG22 -0.0250 -0.0058 0.0257 1038 VAL 94 HG23 -0.0067 -0.0221 0.0576