1 ASP 28 N 0.0022 -0.0008 -0.0188 2 ASP 28 CA 0.0023 0.0007 -0.0157 3 ASP 28 C 0.0014 -0.0022 -0.0130 4 ASP 28 O 0.0008 -0.0043 -0.0123 5 ASP 28 CB 0.0030 0.0035 -0.0139 6 ASP 28 CG 0.0032 0.0051 -0.0107 7 ASP 28 OD1 0.0037 0.0069 -0.0110 8 ASP 28 OD2 0.0029 0.0048 -0.0078 9 ASP 28 H 0.0028 0.0011 -0.0206 10 ASP 28 HA 0.0027 0.0018 -0.0165 11 ASP 28 HB2 0.0036 0.0055 -0.0158 12 ASP 28 HB3 0.0026 0.0023 -0.0132 13 PRO 29 N 0.0013 -0.0023 -0.0118 14 PRO 29 CA 0.0004 -0.0050 -0.0092 15 PRO 29 C 0.0003 -0.0046 -0.0057 16 PRO 29 O 0.0010 -0.0018 -0.0042 17 PRO 29 CB 0.0006 -0.0043 -0.0085 18 PRO 29 CG 0.0014 -0.0020 -0.0115 19 PRO 29 CD 0.0020 -0.0000 -0.0127 20 PRO 29 HA -0.0002 -0.0075 -0.0103 21 PRO 29 HB2 0.0008 -0.0030 -0.0059 22 PRO 29 HB3 -0.0001 -0.0067 -0.0084 23 PRO 29 HG2 0.0018 -0.0003 -0.0105 24 PRO 29 HG3 0.0011 -0.0036 -0.0136 25 PRO 29 HD2 0.0025 0.0024 -0.0112 26 PRO 29 HD3 0.0022 0.0003 -0.0155 27 ASN 30 N -0.0005 -0.0076 -0.0045 28 ASN 30 CA -0.0008 -0.0078 -0.0013 29 ASN 30 C -0.0001 -0.0053 -0.0013 30 ASN 30 O 0.0005 -0.0025 0.0003 31 ASN 30 CB -0.0009 -0.0073 0.0020 32 ASN 30 CG -0.0012 -0.0075 0.0056 33 ASN 30 OD1 -0.0020 -0.0102 0.0071 34 ASN 30 ND2 -0.0005 -0.0046 0.0070 35 ASN 30 H -0.0010 -0.0097 -0.0058 36 ASN 30 HA -0.0015 -0.0104 -0.0013 37 ASN 30 HB2 -0.0014 -0.0094 0.0019 38 ASN 30 HB3 -0.0002 -0.0049 0.0016 39 ASN 30 HD21 0.0002 -0.0024 0.0057 40 ASN 30 HD22 -0.0007 -0.0046 0.0092 41 ALA 31 N -0.0003 -0.0063 -0.0032 42 ALA 31 CA 0.0002 -0.0044 -0.0034 43 ALA 31 C -0.0002 -0.0065 -0.0052 44 ALA 31 O 0.0000 -0.0066 -0.0084 45 ALA 31 CB 0.0012 -0.0010 -0.0054 46 ALA 31 H -0.0008 -0.0085 -0.0046 47 ALA 31 HA 0.0002 -0.0038 -0.0008 48 ALA 31 HB1 0.0016 0.0004 -0.0054 49 ALA 31 HB2 0.0013 -0.0016 -0.0081 50 ALA 31 HB3 0.0016 0.0004 -0.0042 51 GLU 32 N -0.0008 -0.0083 -0.0031 52 GLU 32 CA -0.0012 -0.0101 -0.0043 53 GLU 32 C -0.0005 -0.0077 -0.0045 54 GLU 32 O -0.0006 -0.0084 -0.0061 55 GLU 32 CB -0.0021 -0.0131 -0.0020 56 GLU 32 CG -0.0021 -0.0121 0.0018 57 GLU 32 CD -0.0031 -0.0151 0.0039 58 GLU 32 OE1 -0.0033 -0.0161 0.0041 59 GLU 32 OE2 -0.0036 -0.0166 0.0055 60 GLU 32 H -0.0010 -0.0085 -0.0006 61 GLU 32 HA -0.0012 -0.0111 -0.0069 62 GLU 32 HB2 -0.0024 -0.0144 -0.0031 63 GLU 32 HB3 -0.0025 -0.0147 -0.0020 64 GLU 32 HG2 -0.0019 -0.0109 0.0030 65 GLU 32 HG3 -0.0017 -0.0104 0.0018 66 PHE 33 N 0.0001 -0.0049 -0.0026 67 PHE 33 CA 0.0007 -0.0022 -0.0023 68 PHE 33 C 0.0017 0.0007 -0.0045 69 PHE 33 O 0.0018 0.0007 -0.0058 70 PHE 33 CB 0.0008 -0.0011 0.0016 71 PHE 33 CG 0.0009 -0.0003 0.0033 72 PHE 33 CD1 0.0017 0.0029 0.0029 73 PHE 33 CD2 0.0001 -0.0027 0.0051 74 PHE 33 CE1 0.0018 0.0037 0.0044 75 PHE 33 CE2 0.0002 -0.0019 0.0066 76 PHE 33 CZ 0.0011 0.0013 0.0063 77 PHE 33 H 0.0000 -0.0048 -0.0014 78 PHE 33 HA 0.0006 -0.0031 -0.0032 79 PHE 33 HB2 0.0013 0.0011 0.0017 80 PHE 33 HB3 0.0001 -0.0031 0.0030 81 PHE 33 HD1 0.0023 0.0048 0.0015 82 PHE 33 HD2 -0.0005 -0.0051 0.0054 83 PHE 33 HE1 0.0025 0.0062 0.0041 84 PHE 33 HE2 -0.0004 -0.0038 0.0081 85 PHE 33 HZ 0.0011 0.0019 0.0075 86 ASP 34 N 0.0023 0.0031 -0.0049 87 ASP 34 CA 0.0032 0.0062 -0.0067 88 ASP 34 C 0.0037 0.0090 -0.0040 89 ASP 34 O 0.0037 0.0093 -0.0016 90 ASP 34 CB 0.0035 0.0070 -0.0092 91 ASP 34 CG 0.0044 0.0099 -0.0115 92 ASP 34 OD1 0.0051 0.0128 -0.0102 93 ASP 34 OD2 0.0044 0.0094 -0.0145 94 ASP 34 H 0.0022 0.0029 -0.0040 95 ASP 34 HA 0.0031 0.0058 -0.0081 96 ASP 34 HB2 0.0031 0.0049 -0.0109 97 ASP 34 HB3 0.0036 0.0076 -0.0078 98 PRO 35 N 0.0043 0.0111 -0.0044 99 PRO 35 CA 0.0049 0.0139 -0.0019 100 PRO 35 C 0.0058 0.0172 -0.0026 101 PRO 35 O 0.0064 0.0196 -0.0007 102 PRO 35 CB 0.0051 0.0144 -0.0023 103 PRO 35 CG 0.0051 0.0138 -0.0061 104 PRO 35 CD 0.0044 0.0110 -0.0071 105 PRO 35 HA 0.0046 0.0131 0.0007 106 PRO 35 HB2 0.0057 0.0170 -0.0015 107 PRO 35 HB3 0.0045 0.0127 -0.0007 108 PRO 35 HG2 0.0058 0.0160 -0.0075 109 PRO 35 HG3 0.0049 0.0130 -0.0064 110 PRO 35 HD2 0.0047 0.0115 -0.0097 111 PRO 35 HD3 0.0038 0.0086 -0.0071 112 ASP 36 N 0.0059 0.0171 -0.0052 113 ASP 36 CA 0.0067 0.0201 -0.0059 114 ASP 36 C 0.0065 0.0196 -0.0048 115 ASP 36 O 0.0071 0.0219 -0.0036 116 ASP 36 CB 0.0071 0.0209 -0.0097 117 ASP 36 CG 0.0080 0.0239 -0.0106 118 ASP 36 OD1 0.0087 0.0267 -0.0098 119 ASP 36 OD2 0.0079 0.0235 -0.0122 120 ASP 36 H 0.0055 0.0152 -0.0068 121 ASP 36 HA 0.0072 0.0221 -0.0045 122 ASP 36 HB2 0.0073 0.0214 -0.0104 123 ASP 36 HB3 0.0066 0.0188 -0.0112 124 LEU 37 N 0.0057 0.0165 -0.0050 125 LEU 37 CA 0.0055 0.0156 -0.0042 126 LEU 37 C 0.0050 0.0147 -0.0005 127 LEU 37 O 0.0045 0.0129 0.0009 128 LEU 37 CB 0.0049 0.0129 -0.0065 129 LEU 37 CG 0.0053 0.0137 -0.0103 130 LEU 37 CD1 0.0060 0.0165 -0.0104 131 LEU 37 CD2 0.0056 0.0147 -0.0123 132 LEU 37 H 0.0053 0.0148 -0.0057 133 LEU 37 HA 0.0061 0.0178 -0.0046 134 LEU 37 HB2 0.0044 0.0109 -0.0066 135 LEU 37 HB3 0.0045 0.0119 -0.0053 136 LEU 37 HG 0.0048 0.0116 -0.0115 137 LEU 37 HD11 0.0063 0.0170 -0.0130 138 LEU 37 HD12 0.0065 0.0187 -0.0092 139 LEU 37 HD13 0.0057 0.0157 -0.0091 140 LEU 37 HD21 0.0059 0.0153 -0.0149 141 LEU 37 HD22 0.0051 0.0126 -0.0123 142 LEU 37 HD23 0.0061 0.0168 -0.0111 143 PRO 38 N 0.0053 0.0161 0.0012 144 PRO 38 CA 0.0049 0.0154 0.0047 145 PRO 38 C 0.0039 0.0117 0.0052 146 PRO 38 O 0.0036 0.0102 0.0032 147 PRO 38 CB 0.0053 0.0174 0.0055 148 PRO 38 CG 0.0062 0.0200 0.0029 149 PRO 38 CD 0.0060 0.0185 -0.0002 150 PRO 38 HA 0.0049 0.0161 0.0064 151 PRO 38 HB2 0.0049 0.0158 0.0053 152 PRO 38 HB3 0.0054 0.0184 0.0080 153 PRO 38 HG2 0.0064 0.0207 0.0023 154 PRO 38 HG3 0.0067 0.0221 0.0038 155 PRO 38 HD2 0.0057 0.0173 -0.0018 156 PRO 38 HD3 0.0065 0.0204 -0.0016 157 GLY 39 N 0.0033 0.0103 0.0077 158 GLY 39 CA 0.0024 0.0068 0.0083 159 GLY 39 C 0.0020 0.0047 0.0058 160 GLY 39 O 0.0014 0.0019 0.0051 161 GLY 39 H 0.0036 0.0115 0.0091 162 GLY 39 HA2 0.0021 0.0062 0.0108 163 GLY 39 HA3 0.0023 0.0062 0.0081 164 GLY 40 N 0.0025 0.0063 0.0042 165 GLY 40 CA 0.0023 0.0046 0.0016 166 GLY 40 C 0.0023 0.0040 -0.0016 167 GLY 40 O 0.0020 0.0023 -0.0039 168 GLY 40 H 0.0031 0.0086 0.0047 169 GLY 40 HA2 0.0027 0.0061 0.0010 170 GLY 40 HA3 0.0016 0.0023 0.0026 171 GLY 41 N 0.0026 0.0053 -0.0017 172 GLY 41 CA 0.0026 0.0047 -0.0045 173 GLY 41 C 0.0017 0.0012 -0.0044 174 GLY 41 O 0.0016 0.0001 -0.0067 175 GLY 41 H 0.0029 0.0068 0.0002 176 GLY 41 HA2 0.0031 0.0065 -0.0044 177 GLY 41 HA3 0.0028 0.0049 -0.0069 178 LEU 42 N 0.0012 -0.0003 -0.0015 179 LEU 42 CA 0.0003 -0.0037 -0.0010 180 LEU 42 C 0.0001 -0.0041 0.0006 181 LEU 42 O -0.0006 -0.0068 0.0008 182 LEU 42 CB -0.0003 -0.0053 0.0012 183 LEU 42 CG -0.0002 -0.0053 -0.0001 184 LEU 42 CD1 -0.0008 -0.0069 0.0024 185 LEU 42 CD2 -0.0004 -0.0069 -0.0036 186 LEU 42 H 0.0013 0.0008 0.0004 187 LEU 42 HA 0.0001 -0.0050 -0.0035 188 LEU 42 HB2 -0.0001 -0.0041 0.0036 189 LEU 42 HB3 -0.0010 -0.0079 0.0015 190 LEU 42 HG 0.0005 -0.0027 -0.0004 191 LEU 42 HD11 -0.0007 -0.0068 0.0014 192 LEU 42 HD12 -0.0014 -0.0094 0.0027 193 LEU 42 HD13 -0.0006 -0.0056 0.0048 194 LEU 42 HD21 -0.0010 -0.0095 -0.0035 195 LEU 42 HD22 -0.0003 -0.0069 -0.0044 196 LEU 42 HD23 0.0001 -0.0056 -0.0054 197 HIS 43 N 0.0007 -0.0015 0.0019 198 HIS 43 CA 0.0006 -0.0016 0.0036 199 HIS 43 C 0.0013 0.0008 0.0019 200 HIS 43 O 0.0020 0.0037 0.0025 201 HIS 43 CB 0.0006 -0.0007 0.0074 202 HIS 43 CG 0.0000 -0.0026 0.0093 203 HIS 43 ND1 -0.0008 -0.0056 0.0107 204 HIS 43 CD2 0.0001 -0.0019 0.0102 205 HIS 43 CE1 -0.0012 -0.0067 0.0123 206 HIS 43 NE2 -0.0006 -0.0045 0.0120 207 HIS 43 H 0.0013 0.0006 0.0016 208 HIS 43 HA 0.0000 -0.0040 0.0033 209 HIS 43 HB2 0.0012 0.0019 0.0076 210 HIS 43 HB3 0.0004 -0.0011 0.0085 211 HIS 43 HD1 -0.0011 -0.0068 0.0104 212 HIS 43 HD2 0.0007 0.0002 0.0096 213 HIS 43 HE1 -0.0018 -0.0090 0.0136 214 HIS 43 HE2 -0.0008 -0.0050 0.0126 215 ARG 44 N 0.0011 -0.0004 -0.0003 216 ARG 44 CA 0.0017 0.0016 -0.0021 217 ARG 44 C 0.0014 0.0005 -0.0019 218 ARG 44 O 0.0006 -0.0024 -0.0015 219 ARG 44 CB 0.0019 0.0013 -0.0058 220 ARG 44 CG 0.0020 0.0014 -0.0068 221 ARG 44 CD 0.0020 0.0007 -0.0105 222 ARG 44 NE 0.0020 0.0006 -0.0116 223 ARG 44 CZ 0.0022 0.0004 -0.0148 224 ARG 44 NH1 0.0022 0.0002 -0.0172 225 ARG 44 NH2 0.0022 0.0004 -0.0156 226 ARG 44 H 0.0005 -0.0028 -0.0006 227 ARG 44 HA 0.0023 0.0041 -0.0014 228 ARG 44 HB2 0.0013 -0.0010 -0.0067 229 ARG 44 HB3 0.0024 0.0032 -0.0071 230 ARG 44 HG2 0.0025 0.0038 -0.0062 231 ARG 44 HG3 0.0014 -0.0004 -0.0053 232 ARG 44 HD2 0.0014 -0.0016 -0.0111 233 ARG 44 HD3 0.0026 0.0026 -0.0118 234 ARG 44 HE 0.0019 0.0007 -0.0098 235 ARG 44 HH11 0.0022 0.0002 -0.0167 236 ARG 44 HH12 0.0023 -0.0000 -0.0196 237 ARG 44 HH21 0.0021 0.0005 -0.0138 238 ARG 44 HH22 0.0023 0.0002 -0.0180 239 CYS 45 N 0.0020 0.0027 -0.0021 240 CYS 45 CA 0.0018 0.0019 -0.0028 241 CYS 45 C 0.0022 0.0025 -0.0064 242 CYS 45 O 0.0029 0.0052 -0.0075 243 CYS 45 CB 0.0022 0.0040 -0.0008 244 CYS 45 SG 0.0022 0.0035 -0.0020 245 CYS 45 H 0.0025 0.0049 -0.0018 246 CYS 45 HA 0.0012 -0.0006 -0.0023 247 CYS 45 HB2 0.0019 0.0032 0.0018 248 CYS 45 HB3 0.0029 0.0065 -0.0008 249 LEU 46 N 0.0017 0.0000 -0.0082 250 LEU 46 CA 0.0020 0.0002 -0.0118 251 LEU 46 C 0.0026 0.0023 -0.0129 252 LEU 46 O 0.0032 0.0042 -0.0152 253 LEU 46 CB 0.0012 -0.0031 -0.0132 254 LEU 46 CG 0.0006 -0.0054 -0.0125 255 LEU 46 CD1 -0.0002 -0.0087 -0.0138 256 LEU 46 CD2 0.0010 -0.0041 -0.0138 257 LEU 46 H 0.0011 -0.0020 -0.0072 258 LEU 46 HA 0.0023 0.0013 -0.0126 259 LEU 46 HB2 0.0009 -0.0042 -0.0124 260 LEU 46 HB3 0.0014 -0.0029 -0.0159 261 LEU 46 HG 0.0004 -0.0054 -0.0099 262 LEU 46 HD11 -0.0005 -0.0096 -0.0127 263 LEU 46 HD12 -0.0006 -0.0102 -0.0133 264 LEU 46 HD13 0.0000 -0.0085 -0.0164 265 LEU 46 HD21 0.0015 -0.0018 -0.0126 266 LEU 46 HD22 0.0012 -0.0038 -0.0164 267 LEU 46 HD23 0.0005 -0.0058 -0.0133 268 ALA 47 N 0.0024 0.0022 -0.0110 269 ALA 47 CA 0.0029 0.0040 -0.0116 270 ALA 47 C 0.0038 0.0076 -0.0110 271 ALA 47 O 0.0044 0.0096 -0.0121 272 ALA 47 CB 0.0025 0.0029 -0.0095 273 ALA 47 H 0.0019 0.0006 -0.0092 274 ALA 47 HA 0.0029 0.0037 -0.0141 275 ALA 47 HB1 0.0029 0.0042 -0.0101 276 ALA 47 HB2 0.0025 0.0033 -0.0070 277 ALA 47 HB3 0.0019 0.0004 -0.0100 278 CYS 48 N 0.0038 0.0084 -0.0094 279 CYS 48 CA 0.0046 0.0117 -0.0087 280 CYS 48 C 0.0050 0.0127 -0.0102 281 CYS 48 O 0.0057 0.0156 -0.0103 282 CYS 48 CB 0.0046 0.0125 -0.0050 283 CYS 48 SG 0.0044 0.0121 -0.0034 284 CYS 48 H 0.0034 0.0066 -0.0085 285 CYS 48 HA 0.0050 0.0130 -0.0099 286 CYS 48 HB2 0.0042 0.0111 -0.0032 287 CYS 48 HB3 0.0052 0.0150 -0.0046 288 ALA 49 N 0.0045 0.0105 -0.0114 289 ALA 49 CA 0.0048 0.0111 -0.0129 290 ALA 49 C 0.0051 0.0130 -0.0105 291 ALA 49 O 0.0056 0.0146 -0.0115 292 ALA 49 CB 0.0054 0.0130 -0.0162 293 ALA 49 H 0.0039 0.0082 -0.0113 294 ALA 49 HA 0.0042 0.0088 -0.0135 295 ALA 49 HB1 0.0060 0.0153 -0.0157 296 ALA 49 HB2 0.0052 0.0116 -0.0179 297 ALA 49 HB3 0.0056 0.0133 -0.0173 298 ARG 50 N 0.0048 0.0127 -0.0073 299 ARG 50 CA 0.0051 0.0143 -0.0047 300 ARG 50 C 0.0044 0.0121 -0.0030 301 ARG 50 O 0.0037 0.0092 -0.0025 302 ARG 50 CB 0.0053 0.0160 -0.0023 303 ARG 50 CG 0.0061 0.0186 -0.0037 304 ARG 50 CD 0.0063 0.0201 -0.0011 305 ARG 50 NE 0.0070 0.0225 -0.0025 306 ARG 50 CZ 0.0073 0.0240 -0.0008 307 ARG 50 NH1 0.0069 0.0234 0.0024 308 ARG 50 NH2 0.0079 0.0261 -0.0022 309 ARG 50 H 0.0044 0.0112 -0.0068 310 ARG 50 HA 0.0056 0.0161 -0.0059 311 ARG 50 HB2 0.0048 0.0142 -0.0012 312 ARG 50 HB3 0.0055 0.0171 -0.0003 313 ARG 50 HG2 0.0066 0.0204 -0.0047 314 ARG 50 HG3 0.0059 0.0175 -0.0056 315 ARG 50 HD2 0.0058 0.0182 -0.0000 316 ARG 50 HD3 0.0065 0.0212 0.0008 317 ARG 50 HE 0.0072 0.0230 -0.0048 318 ARG 50 HH11 0.0065 0.0219 0.0036 319 ARG 50 HH12 0.0071 0.0245 0.0038 320 ARG 50 HH21 0.0082 0.0267 -0.0046 321 ARG 50 HH22 0.0081 0.0273 -0.0010 322 TYR 51 N 0.0047 0.0134 -0.0021 323 TYR 51 CA 0.0042 0.0116 -0.0006 324 TYR 51 C 0.0042 0.0125 0.0031 325 TYR 51 O 0.0049 0.0154 0.0040 326 TYR 51 CB 0.0045 0.0126 -0.0023 327 TYR 51 CG 0.0046 0.0121 -0.0061 328 TYR 51 CD1 0.0053 0.0145 -0.0082 329 TYR 51 CD2 0.0039 0.0091 -0.0075 330 TYR 51 CE1 0.0054 0.0140 -0.0116 331 TYR 51 CE2 0.0040 0.0086 -0.0109 332 TYR 51 CZ 0.0047 0.0111 -0.0130 333 TYR 51 OH 0.0048 0.0107 -0.0164 334 TYR 51 H 0.0053 0.0157 -0.0024 335 TYR 51 HA 0.0035 0.0090 -0.0010 336 TYR 51 HB2 0.0051 0.0152 -0.0017 337 TYR 51 HB3 0.0041 0.0112 -0.0012 338 TYR 51 HD1 0.0059 0.0168 -0.0072 339 TYR 51 HD2 0.0033 0.0072 -0.0058 340 TYR 51 HE1 0.0060 0.0160 -0.0133 341 TYR 51 HE2 0.0035 0.0063 -0.0120 342 TYR 51 HH 0.0054 0.0127 -0.0174 343 PHE 52 N 0.0034 0.0101 0.0052 344 PHE 52 CA 0.0033 0.0106 0.0088 345 PHE 52 C 0.0030 0.0095 0.0102 346 PHE 52 O 0.0024 0.0071 0.0090 347 PHE 52 CB 0.0028 0.0088 0.0103 348 PHE 52 CG 0.0031 0.0098 0.0090 349 PHE 52 CD1 0.0030 0.0086 0.0060 350 PHE 52 CD2 0.0035 0.0120 0.0107 351 PHE 52 CE1 0.0032 0.0095 0.0048 352 PHE 52 CE2 0.0038 0.0130 0.0095 353 PHE 52 CZ 0.0037 0.0117 0.0065 354 PHE 52 H 0.0029 0.0079 0.0043 355 PHE 52 HA 0.0039 0.0132 0.0093 356 PHE 52 HB2 0.0022 0.0062 0.0098 357 PHE 52 HB3 0.0027 0.0092 0.0130 358 PHE 52 HD1 0.0026 0.0068 0.0046 359 PHE 52 HD2 0.0037 0.0131 0.0131 360 PHE 52 HE1 0.0031 0.0085 0.0025 361 PHE 52 HE2 0.0042 0.0147 0.0109 362 PHE 52 HZ 0.0039 0.0124 0.0056 363 ILE 53 N 0.0032 0.0112 0.0128 364 ILE 53 CA 0.0029 0.0104 0.0145 365 ILE 53 C 0.0020 0.0070 0.0160 366 ILE 53 O 0.0016 0.0054 0.0161 367 ILE 53 CB 0.0034 0.0130 0.0173 368 ILE 53 CG1 0.0032 0.0132 0.0199 369 ILE 53 CG2 0.0043 0.0164 0.0157 370 ILE 53 CD1 0.0036 0.0155 0.0228 371 ILE 53 H 0.0036 0.0130 0.0138 372 ILE 53 HA 0.0031 0.0106 0.0126 373 ILE 53 HB 0.0031 0.0122 0.0185 374 ILE 53 HG12 0.0035 0.0139 0.0187 375 ILE 53 HG13 0.0026 0.0107 0.0209 376 ILE 53 HG21 0.0046 0.0172 0.0143 377 ILE 53 HG22 0.0043 0.0162 0.0141 378 ILE 53 HG23 0.0046 0.0181 0.0177 379 ILE 53 HD11 0.0034 0.0148 0.0242 380 ILE 53 HD12 0.0035 0.0155 0.0245 381 ILE 53 HD13 0.0043 0.0180 0.0218 382 ASP 54 N 0.0016 0.0057 0.0170 383 ASP 54 CA 0.0008 0.0026 0.0186 384 ASP 54 C 0.0004 0.0009 0.0178 385 ASP 54 O 0.0008 0.0025 0.0170 386 ASP 54 CB 0.0007 0.0031 0.0225 387 ASP 54 CG -0.0002 -0.0001 0.0244 388 ASP 54 OD1 -0.0006 -0.0015 0.0246 389 ASP 54 OD2 -0.0005 -0.0011 0.0257 390 ASP 54 H 0.0019 0.0069 0.0166 391 ASP 54 HA 0.0005 0.0011 0.0177 392 ASP 54 HB2 0.0010 0.0044 0.0229 393 ASP 54 HB3 0.0010 0.0045 0.0234 394 SER 55 N -0.0004 -0.0024 0.0181 395 SER 55 CA -0.0008 -0.0043 0.0173 396 SER 55 C -0.0007 -0.0034 0.0198 397 SER 55 O -0.0007 -0.0035 0.0188 398 SER 55 CB -0.0016 -0.0080 0.0175 399 SER 55 OG -0.0021 -0.0101 0.0170 400 SER 55 H -0.0007 -0.0035 0.0188 401 SER 55 HA -0.0005 -0.0038 0.0148 402 SER 55 HB2 -0.0016 -0.0085 0.0156 403 SER 55 HB3 -0.0019 -0.0086 0.0199 404 SER 55 HG -0.0023 -0.0105 0.0191 405 THR 56 N -0.0007 -0.0025 0.0229 406 THR 56 CA -0.0006 -0.0016 0.0253 407 THR 56 C 0.0002 0.0015 0.0242 408 THR 56 O 0.0002 0.0018 0.0245 409 THR 56 CB -0.0007 -0.0010 0.0287 410 THR 56 OG1 -0.0014 -0.0037 0.0295 411 THR 56 CG2 -0.0007 -0.0004 0.0314 412 THR 56 H -0.0007 -0.0024 0.0235 413 THR 56 HA -0.0011 -0.0036 0.0255 414 THR 56 HB -0.0002 0.0012 0.0285 415 THR 56 HG1 -0.0012 -0.0034 0.0284 416 THR 56 HG21 -0.0008 0.0000 0.0338 417 THR 56 HG22 -0.0012 -0.0026 0.0316 418 THR 56 HG23 -0.0002 0.0016 0.0308 419 ASN 57 N 0.0008 0.0038 0.0228 420 ASN 57 CA 0.0016 0.0067 0.0215 421 ASN 57 C 0.0016 0.0061 0.0185 422 ASN 57 O 0.0019 0.0076 0.0181 423 ASN 57 CB 0.0022 0.0092 0.0207 424 ASN 57 CG 0.0025 0.0112 0.0238 425 ASN 57 OD1 0.0030 0.0138 0.0245 426 ASN 57 ND2 0.0021 0.0100 0.0255 427 ASN 57 H 0.0008 0.0035 0.0225 428 ASN 57 HA 0.0017 0.0078 0.0235 429 ASN 57 HB2 0.0019 0.0079 0.0198 430 ASN 57 HB3 0.0027 0.0108 0.0188 431 ASN 57 HD21 0.0017 0.0080 0.0248 432 ASN 57 HD22 0.0023 0.0113 0.0274 433 LEU 58 N 0.0012 0.0038 0.0165 434 LEU 58 CA 0.0011 0.0028 0.0136 435 LEU 58 C 0.0007 0.0011 0.0145 436 LEU 58 O 0.0009 0.0019 0.0133 437 LEU 58 CB 0.0008 0.0008 0.0113 438 LEU 58 CG 0.0005 -0.0010 0.0083 439 LEU 58 CD1 -0.0002 -0.0041 0.0092 440 LEU 58 CD2 0.0012 0.0012 0.0064 441 LEU 58 H 0.0009 0.0027 0.0170 442 LEU 58 HA 0.0017 0.0050 0.0123 443 LEU 58 HB2 0.0012 0.0023 0.0105 444 LEU 58 HB3 0.0003 -0.0010 0.0129 445 LEU 58 HG 0.0005 -0.0017 0.0066 446 LEU 58 HD11 -0.0004 -0.0053 0.0070 447 LEU 58 HD12 -0.0002 -0.0036 0.0109 448 LEU 58 HD13 -0.0007 -0.0057 0.0103 449 LEU 58 HD21 0.0012 0.0019 0.0080 450 LEU 58 HD22 0.0010 -0.0000 0.0042 451 LEU 58 HD23 0.0017 0.0034 0.0057 452 LYS 59 N -0.0000 -0.0013 0.0166 453 LYS 59 CA -0.0005 -0.0030 0.0177 454 LYS 59 C -0.0001 -0.0008 0.0195 455 LYS 59 O -0.0002 -0.0011 0.0192 456 LYS 59 CB -0.0013 -0.0060 0.0196 457 LYS 59 CG -0.0014 -0.0055 0.0229 458 LYS 59 CD -0.0022 -0.0086 0.0245 459 LYS 59 CE -0.0027 -0.0106 0.0255 460 LYS 59 NZ -0.0025 -0.0089 0.0281 461 LYS 59 H -0.0002 -0.0019 0.0173 462 LYS 59 HA -0.0004 -0.0037 0.0154 463 LYS 59 HB2 -0.0016 -0.0073 0.0201 464 LYS 59 HB3 -0.0015 -0.0076 0.0181 465 LYS 59 HG2 -0.0010 -0.0041 0.0224 466 LYS 59 HG3 -0.0012 -0.0041 0.0245 467 LYS 59 HD2 -0.0024 -0.0100 0.0227 468 LYS 59 HD3 -0.0022 -0.0081 0.0266 469 LYS 59 HE2 -0.0026 -0.0110 0.0234 470 LYS 59 HE3 -0.0032 -0.0128 0.0265 471 LYS 59 HZ1 -0.0026 -0.0086 0.0302 472 LYS 59 HZ2 -0.0029 -0.0103 0.0287 473 LYS 59 HZ3 -0.0020 -0.0067 0.0274 474 THR 60 N 0.0004 0.0016 0.0214 475 THR 60 CA 0.0008 0.0040 0.0232 476 THR 60 C 0.0014 0.0060 0.0206 477 THR 60 O 0.0016 0.0071 0.0212 478 THR 60 CB 0.0011 0.0061 0.0255 479 THR 60 OG1 0.0006 0.0041 0.0279 480 THR 60 CG2 0.0016 0.0086 0.0274 481 THR 60 H 0.0004 0.0017 0.0217 482 THR 60 HA 0.0004 0.0026 0.0246 483 THR 60 HB 0.0015 0.0073 0.0240 484 THR 60 HG1 0.0004 0.0030 0.0269 485 THR 60 HG21 0.0018 0.0101 0.0290 486 THR 60 HG22 0.0012 0.0074 0.0288 487 THR 60 HG23 0.0020 0.0101 0.0256 488 HIS 61 N 0.0017 0.0064 0.0178 489 HIS 61 CA 0.0022 0.0081 0.0151 490 HIS 61 C 0.0019 0.0064 0.0137 491 HIS 61 O 0.0024 0.0080 0.0125 492 HIS 61 CB 0.0025 0.0087 0.0124 493 HIS 61 CG 0.0029 0.0094 0.0091 494 HIS 61 ND1 0.0036 0.0122 0.0083 495 HIS 61 CD2 0.0026 0.0075 0.0064 496 HIS 61 CE1 0.0037 0.0119 0.0053 497 HIS 61 NE2 0.0031 0.0091 0.0041 498 HIS 61 H 0.0015 0.0055 0.0175 499 HIS 61 HA 0.0027 0.0104 0.0161 500 HIS 61 HB2 0.0030 0.0107 0.0131 501 HIS 61 HB3 0.0021 0.0066 0.0122 502 HIS 61 HD1 0.0039 0.0141 0.0097 503 HIS 61 HD2 0.0021 0.0051 0.0061 504 HIS 61 HE1 0.0041 0.0134 0.0037 505 PHE 62 N 0.0012 0.0032 0.0139 506 PHE 62 CA 0.0009 0.0016 0.0125 507 PHE 62 C 0.0008 0.0016 0.0149 508 PHE 62 O 0.0005 0.0003 0.0142 509 PHE 62 CB 0.0002 -0.0018 0.0114 510 PHE 62 CG 0.0003 -0.0022 0.0093 511 PHE 62 CD1 0.0008 -0.0005 0.0064 512 PHE 62 CD2 -0.0002 -0.0043 0.0102 513 PHE 62 CE1 0.0008 -0.0009 0.0045 514 PHE 62 CE2 -0.0002 -0.0047 0.0083 515 PHE 62 CZ 0.0003 -0.0030 0.0055 516 PHE 62 H 0.0009 0.0020 0.0150 517 PHE 62 HA 0.0013 0.0030 0.0104 518 PHE 62 HB2 -0.0002 -0.0034 0.0134 519 PHE 62 HB3 0.0002 -0.0024 0.0099 520 PHE 62 HD1 0.0012 0.0012 0.0057 521 PHE 62 HD2 -0.0007 -0.0056 0.0124 522 PHE 62 HE1 0.0012 0.0005 0.0023 523 PHE 62 HE2 -0.0006 -0.0064 0.0091 524 PHE 62 HZ 0.0003 -0.0034 0.0041 525 ARG 63 N 0.0010 0.0033 0.0174 526 ARG 63 CA 0.0009 0.0035 0.0198 527 ARG 63 C 0.0014 0.0058 0.0186 528 ARG 63 O 0.0014 0.0064 0.0204 529 ARG 63 CB 0.0009 0.0044 0.0232 530 ARG 63 CG 0.0003 0.0018 0.0247 531 ARG 63 CD 0.0003 0.0028 0.0282 532 ARG 63 NE 0.0003 0.0035 0.0304 533 ARG 63 CZ 0.0002 0.0040 0.0337 534 ARG 63 NH1 0.0001 0.0036 0.0352 535 ARG 63 NH2 0.0003 0.0047 0.0355 536 ARG 63 H 0.0012 0.0044 0.0178 537 ARG 63 HA 0.0004 0.0011 0.0198 538 ARG 63 HB2 0.0013 0.0067 0.0231 539 ARG 63 HB3 0.0009 0.0048 0.0248 540 ARG 63 HG2 -0.0002 -0.0004 0.0249 541 ARG 63 HG3 0.0003 0.0014 0.0231 542 ARG 63 HD2 -0.0001 0.0008 0.0291 543 ARG 63 HD3 0.0007 0.0050 0.0279 544 ARG 63 HE 0.0004 0.0037 0.0294 545 ARG 63 HH11 0.0000 0.0030 0.0339 546 ARG 63 HH12 0.0000 0.0039 0.0376 547 ARG 63 HH21 0.0004 0.0050 0.0345 548 ARG 63 HH22 0.0002 0.0051 0.0380 549 SER 64 N 0.0019 0.0068 0.0158 550 SER 64 CA 0.0023 0.0086 0.0143 551 SER 64 C 0.0019 0.0062 0.0126 552 SER 64 O 0.0017 0.0048 0.0101 553 SER 64 CB 0.0029 0.0107 0.0118 554 SER 64 OG 0.0032 0.0125 0.0130 555 SER 64 H 0.0019 0.0065 0.0147 556 SER 64 HA 0.0025 0.0100 0.0160 557 SER 64 HB2 0.0027 0.0093 0.0098 558 SER 64 HB3 0.0033 0.0124 0.0109 559 SER 64 HG 0.0035 0.0141 0.0145 560 LYS 65 N 0.0017 0.0056 0.0137 561 LYS 65 CA 0.0013 0.0033 0.0125 562 LYS 65 C 0.0016 0.0040 0.0091 563 LYS 65 O 0.0013 0.0018 0.0073 564 LYS 65 CB 0.0011 0.0027 0.0147 565 LYS 65 CG 0.0016 0.0055 0.0160 566 LYS 65 CD 0.0021 0.0072 0.0135 567 LYS 65 CE 0.0026 0.0099 0.0148 568 LYS 65 NZ 0.0031 0.0118 0.0124 569 LYS 65 H 0.0019 0.0067 0.0156 570 LYS 65 HA 0.0009 0.0012 0.0123 571 LYS 65 HB2 0.0008 0.0012 0.0135 572 LYS 65 HB3 0.0007 0.0014 0.0167 573 LYS 65 HG2 0.0013 0.0047 0.0176 574 LYS 65 HG3 0.0019 0.0070 0.0172 575 LYS 65 HD2 0.0023 0.0080 0.0118 576 LYS 65 HD3 0.0018 0.0057 0.0123 577 LYS 65 HE2 0.0023 0.0091 0.0164 578 LYS 65 HE3 0.0028 0.0114 0.0161 579 LYS 65 HZ1 0.0029 0.0105 0.0111 580 LYS 65 HZ2 0.0034 0.0127 0.0109 581 LYS 65 HZ3 0.0034 0.0136 0.0134 582 ASP 66 N 0.0023 0.0069 0.0084 583 ASP 66 CA 0.0027 0.0078 0.0054 584 ASP 66 C 0.0026 0.0070 0.0028 585 ASP 66 O 0.0026 0.0064 0.0002 586 ASP 66 CB 0.0034 0.0112 0.0054 587 ASP 66 CG 0.0038 0.0123 0.0025 588 ASP 66 OD1 0.0038 0.0123 0.0025 589 ASP 66 OD2 0.0041 0.0132 0.0002 590 ASP 66 H 0.0025 0.0085 0.0099 591 ASP 66 HA 0.0024 0.0066 0.0049 592 ASP 66 HB2 0.0034 0.0118 0.0074 593 ASP 66 HB3 0.0036 0.0124 0.0055 594 HIS 67 N 0.0026 0.0071 0.0038 595 HIS 67 CA 0.0026 0.0063 0.0017 596 HIS 67 C 0.0019 0.0030 0.0006 597 HIS 67 O 0.0019 0.0024 -0.0023 598 HIS 67 CB 0.0026 0.0067 0.0034 599 HIS 67 CG 0.0026 0.0063 0.0015 600 HIS 67 ND1 0.0029 0.0071 -0.0017 601 HIS 67 CD2 0.0025 0.0061 0.0025 602 HIS 67 CE1 0.0031 0.0075 -0.0025 603 HIS 67 NE2 0.0028 0.0070 -0.0000 604 HIS 67 H 0.0027 0.0076 0.0060 605 HIS 67 HA 0.0030 0.0077 -0.0004 606 HIS 67 HB2 0.0031 0.0091 0.0041 607 HIS 67 HB3 0.0022 0.0052 0.0053 608 HIS 67 HD1 0.0031 0.0074 -0.0031 609 HIS 67 HD2 0.0021 0.0050 0.0047 610 HIS 67 HE1 0.0033 0.0081 -0.0048 611 LYS 68 N 0.0013 0.0009 0.0027 612 LYS 68 CA 0.0006 -0.0023 0.0021 613 LYS 68 C 0.0006 -0.0032 0.0004 614 LYS 68 O 0.0002 -0.0053 -0.0015 615 LYS 68 CB 0.0001 -0.0040 0.0051 616 LYS 68 CG 0.0003 -0.0029 0.0069 617 LYS 68 CD -0.0002 -0.0046 0.0100 618 LYS 68 CE -0.0002 -0.0039 0.0121 619 LYS 68 NZ -0.0007 -0.0053 0.0152 620 LYS 68 H 0.0013 0.0016 0.0049 621 LYS 68 HA 0.0006 -0.0028 0.0005 622 LYS 68 HB2 0.0002 -0.0036 0.0065 623 LYS 68 HB3 -0.0003 -0.0064 0.0046 624 LYS 68 HG2 0.0003 -0.0030 0.0055 625 LYS 68 HG3 0.0008 -0.0004 0.0074 626 LYS 68 HD2 -0.0007 -0.0070 0.0095 627 LYS 68 HD3 -0.0002 -0.0039 0.0112 628 LYS 68 HE2 0.0003 -0.0014 0.0125 629 LYS 68 HE3 -0.0003 -0.0047 0.0110 630 LYS 68 HZ1 -0.0012 -0.0077 0.0149 631 LYS 68 HZ2 -0.0006 -0.0048 0.0166 632 LYS 68 HZ3 -0.0006 -0.0045 0.0162 633 LYS 69 N 0.0009 -0.0013 0.0011 634 LYS 69 CA 0.0010 -0.0014 -0.0005 635 LYS 69 C 0.0013 -0.0007 -0.0039 636 LYS 69 O 0.0011 -0.0023 -0.0060 637 LYS 69 CB 0.0014 0.0010 0.0010 638 LYS 69 CG 0.0018 0.0021 -0.0008 639 LYS 69 CD 0.0022 0.0048 0.0010 640 LYS 69 CE 0.0027 0.0063 -0.0005 641 LYS 69 NZ 0.0031 0.0089 0.0014 642 LYS 69 H 0.0011 0.0001 0.0029 643 LYS 69 HA 0.0005 -0.0036 -0.0002 644 LYS 69 HB2 0.0011 0.0002 0.0032 645 LYS 69 HB3 0.0018 0.0030 0.0014 646 LYS 69 HG2 0.0020 0.0027 -0.0030 647 LYS 69 HG3 0.0014 0.0003 -0.0010 648 LYS 69 HD2 0.0019 0.0039 0.0032 649 LYS 69 HD3 0.0026 0.0064 0.0014 650 LYS 69 HE2 0.0029 0.0070 -0.0028 651 LYS 69 HE3 0.0023 0.0047 -0.0006 652 LYS 69 HZ1 0.0034 0.0101 0.0005 653 LYS 69 HZ2 0.0034 0.0104 0.0017 654 LYS 69 HZ3 0.0029 0.0083 0.0037 655 ARG 70 N 0.0018 0.0016 -0.0046 656 ARG 70 CA 0.0022 0.0024 -0.0078 657 ARG 70 C 0.0017 -0.0001 -0.0093 658 ARG 70 O 0.0017 -0.0007 -0.0121 659 ARG 70 CB 0.0029 0.0055 -0.0080 660 ARG 70 CG 0.0033 0.0066 -0.0113 661 ARG 70 CD 0.0035 0.0070 -0.0129 662 ARG 70 NE 0.0039 0.0079 -0.0162 663 ARG 70 CZ 0.0038 0.0072 -0.0185 664 ARG 70 NH1 0.0034 0.0055 -0.0179 665 ARG 70 NH2 0.0042 0.0082 -0.0213 666 ARG 70 H 0.0020 0.0028 -0.0029 667 ARG 70 HA 0.0023 0.0026 -0.0090 668 ARG 70 HB2 0.0032 0.0071 -0.0066 669 ARG 70 HB3 0.0028 0.0051 -0.0070 670 ARG 70 HG2 0.0038 0.0088 -0.0112 671 ARG 70 HG3 0.0030 0.0050 -0.0126 672 ARG 70 HD2 0.0030 0.0048 -0.0129 673 ARG 70 HD3 0.0038 0.0086 -0.0117 674 ARG 70 HE 0.0042 0.0092 -0.0166 675 ARG 70 HH11 0.0031 0.0047 -0.0157 676 ARG 70 HH12 0.0034 0.0050 -0.0196 677 ARG 70 HH21 0.0045 0.0095 -0.0218 678 ARG 70 HH22 0.0042 0.0078 -0.0231 679 LEU 71 N 0.0013 -0.0015 -0.0074 680 LEU 71 CA 0.0008 -0.0039 -0.0085 681 LEU 71 C 0.0002 -0.0067 -0.0095 682 LEU 71 O 0.0000 -0.0082 -0.0118 683 LEU 71 CB 0.0005 -0.0048 -0.0060 684 LEU 71 CG 0.0010 -0.0023 -0.0047 685 LEU 71 CD1 0.0006 -0.0036 -0.0023 686 LEU 71 CD2 0.0015 -0.0008 -0.0073 687 LEU 71 H 0.0013 -0.0010 -0.0052 688 LEU 71 HA 0.0011 -0.0031 -0.0105 689 LEU 71 HB2 0.0002 -0.0057 -0.0040 690 LEU 71 HB3 0.0001 -0.0066 -0.0069 691 LEU 71 HG 0.0013 -0.0006 -0.0035 692 LEU 71 HD11 0.0002 -0.0053 -0.0034 693 LEU 71 HD12 0.0002 -0.0046 -0.0004 694 LEU 71 HD13 0.0009 -0.0017 -0.0014 695 LEU 71 HD21 0.0018 0.0003 -0.0089 696 LEU 71 HD22 0.0011 -0.0024 -0.0086 697 LEU 71 HD23 0.0018 0.0010 -0.0063 698 LYS 72 N 0.0000 -0.0073 -0.0077 699 LYS 72 CA -0.0005 -0.0097 -0.0083 700 LYS 72 C -0.0002 -0.0092 -0.0114 701 LYS 72 O -0.0005 -0.0113 -0.0133 702 LYS 72 CB -0.0007 -0.0100 -0.0056 703 LYS 72 CG -0.0012 -0.0125 -0.0060 704 LYS 72 CD -0.0014 -0.0127 -0.0032 705 LYS 72 CE -0.0020 -0.0153 -0.0035 706 LYS 72 NZ -0.0022 -0.0156 -0.0007 707 LYS 72 H 0.0002 -0.0060 -0.0058 708 LYS 72 HA -0.0009 -0.0118 -0.0085 709 LYS 72 HB2 -0.0009 -0.0103 -0.0035 710 LYS 72 HB3 -0.0002 -0.0079 -0.0054 711 LYS 72 HG2 -0.0010 -0.0121 -0.0080 712 LYS 72 HG3 -0.0017 -0.0146 -0.0063 713 LYS 72 HD2 -0.0016 -0.0131 -0.0011 714 LYS 72 HD3 -0.0010 -0.0106 -0.0029 715 LYS 72 HE2 -0.0018 -0.0148 -0.0055 716 LYS 72 HE3 -0.0024 -0.0174 -0.0039 717 LYS 72 HZ1 -0.0018 -0.0136 -0.0002 718 LYS 72 HZ2 -0.0024 -0.0161 0.0012 719 LYS 72 HZ3 -0.0026 -0.0174 -0.0010 720 GLN 73 N 0.0004 -0.0064 -0.0119 721 GLN 73 CA 0.0008 -0.0055 -0.0148 722 GLN 73 C 0.0009 -0.0057 -0.0176 723 GLN 73 O 0.0008 -0.0067 -0.0201 724 GLN 73 CB 0.0015 -0.0022 -0.0145 725 GLN 73 CG 0.0014 -0.0018 -0.0118 726 GLN 73 CD 0.0022 0.0014 -0.0115 727 GLN 73 OE1 0.0027 0.0036 -0.0122 728 GLN 73 NE2 0.0022 0.0018 -0.0105 729 GLN 73 H 0.0007 -0.0048 -0.0103 730 GLN 73 HA 0.0004 -0.0070 -0.0151 731 GLN 73 HB2 0.0018 -0.0007 -0.0141 732 GLN 73 HB3 0.0017 -0.0016 -0.0166 733 GLN 73 HG2 0.0011 -0.0033 -0.0123 734 GLN 73 HG3 0.0012 -0.0025 -0.0097 735 GLN 73 HE21 0.0018 -0.0000 -0.0100 736 GLN 73 HE22 0.0026 0.0039 -0.0102 737 LEU 74 N 0.0011 -0.0047 -0.0172 738 LEU 74 CA 0.0012 -0.0047 -0.0197 739 LEU 74 C 0.0005 -0.0078 -0.0203 740 LEU 74 O 0.0005 -0.0083 -0.0227 741 LEU 74 CB 0.0017 -0.0023 -0.0189 742 LEU 74 CG 0.0020 -0.0016 -0.0214 743 LEU 74 CD1 0.0024 -0.0005 -0.0244 744 LEU 74 CD2 0.0024 0.0007 -0.0202 745 LEU 74 H 0.0011 -0.0040 -0.0151 746 LEU 74 HA 0.0015 -0.0040 -0.0217 747 LEU 74 HB2 0.0021 -0.0002 -0.0182 748 LEU 74 HB3 0.0014 -0.0032 -0.0169 749 LEU 74 HG 0.0015 -0.0037 -0.0219 750 LEU 74 HD11 0.0026 -0.0001 -0.0261 751 LEU 74 HD12 0.0028 0.0015 -0.0239 752 LEU 74 HD13 0.0020 -0.0023 -0.0253 753 LEU 74 HD21 0.0029 0.0028 -0.0196 754 LEU 74 HD22 0.0026 0.0011 -0.0220 755 LEU 74 HD23 0.0021 -0.0001 -0.0182 756 SER 75 N -0.0001 -0.0099 -0.0181 757 SER 75 CA -0.0008 -0.0131 -0.0183 758 SER 75 C -0.0008 -0.0132 -0.0175 759 SER 75 O -0.0013 -0.0155 -0.0184 760 SER 75 CB -0.0010 -0.0146 -0.0215 761 SER 75 OG -0.0016 -0.0177 -0.0216 762 SER 75 H -0.0000 -0.0093 -0.0162 763 SER 75 HA -0.0011 -0.0143 -0.0164 764 SER 75 HB2 -0.0009 -0.0144 -0.0218 765 SER 75 HB3 -0.0006 -0.0134 -0.0233 766 SER 75 HG -0.0019 -0.0188 -0.0225 767 VAL 76 N -0.0005 -0.0109 -0.0159 768 VAL 76 CA -0.0005 -0.0108 -0.0150 769 VAL 76 C -0.0012 -0.0135 -0.0129 770 VAL 76 O -0.0016 -0.0154 -0.0136 771 VAL 76 CB 0.0001 -0.0078 -0.0133 772 VAL 76 CG1 0.0001 -0.0078 -0.0123 773 VAL 76 CG2 0.0008 -0.0052 -0.0153 774 VAL 76 H -0.0001 -0.0093 -0.0153 775 VAL 76 HA -0.0004 -0.0110 -0.0171 776 VAL 76 HB 0.0001 -0.0077 -0.0113 777 VAL 76 HG11 0.0005 -0.0056 -0.0111 778 VAL 76 HG12 0.0001 -0.0080 -0.0143 779 VAL 76 HG13 -0.0004 -0.0096 -0.0107 780 VAL 76 HG21 0.0013 -0.0031 -0.0141 781 VAL 76 HG22 0.0009 -0.0052 -0.0159 782 VAL 76 HG23 0.0009 -0.0053 -0.0174 783 GLU 77 N -0.0012 -0.0137 -0.0101 784 GLU 77 CA -0.0019 -0.0161 -0.0080 785 GLU 77 C -0.0021 -0.0170 -0.0066 786 GLU 77 O -0.0019 -0.0155 -0.0044 787 GLU 77 CB -0.0018 -0.0154 -0.0055 788 GLU 77 CG -0.0013 -0.0123 -0.0038 789 GLU 77 CD -0.0013 -0.0118 -0.0012 790 GLU 77 OE1 -0.0011 -0.0111 -0.0019 791 GLU 77 OE2 -0.0015 -0.0121 0.0015 792 GLU 77 H -0.0009 -0.0122 -0.0096 793 GLU 77 HA -0.0022 -0.0181 -0.0093 794 GLU 77 HB2 -0.0023 -0.0171 -0.0038 795 GLU 77 HB3 -0.0018 -0.0154 -0.0065 796 GLU 77 HG2 -0.0008 -0.0105 -0.0054 797 GLU 77 HG3 -0.0013 -0.0123 -0.0028 798 PRO 78 N -0.0026 -0.0193 -0.0078 799 PRO 78 CA -0.0029 -0.0206 -0.0065 800 PRO 78 C -0.0034 -0.0220 -0.0033 801 PRO 78 O -0.0038 -0.0239 -0.0031 802 PRO 78 CB -0.0034 -0.0232 -0.0088 803 PRO 78 CG -0.0031 -0.0224 -0.0118 804 PRO 78 CD -0.0028 -0.0209 -0.0107 805 PRO 78 HA -0.0026 -0.0189 -0.0062 806 PRO 78 HB2 -0.0039 -0.0254 -0.0079 807 PRO 78 HB3 -0.0033 -0.0231 -0.0092 808 PRO 78 HG2 -0.0035 -0.0245 -0.0131 809 PRO 78 HG3 -0.0027 -0.0209 -0.0132 810 PRO 78 HD2 -0.0032 -0.0226 -0.0103 811 PRO 78 HD3 -0.0024 -0.0193 -0.0125 812 TYR 79 N -0.0033 -0.0209 -0.0008 813 TYR 79 CA -0.0036 -0.0218 0.0024 814 TYR 79 C -0.0033 -0.0202 0.0036 815 TYR 79 O -0.0035 -0.0213 0.0032 816 TYR 79 CB -0.0043 -0.0252 0.0029 817 TYR 79 CG -0.0046 -0.0268 0.0022 818 TYR 79 CD1 -0.0048 -0.0278 -0.0008 819 TYR 79 CD2 -0.0048 -0.0271 0.0045 820 TYR 79 CE1 -0.0050 -0.0292 -0.0014 821 TYR 79 CE2 -0.0050 -0.0285 0.0038 822 TYR 79 CZ -0.0052 -0.0295 0.0009 823 TYR 79 OH -0.0054 -0.0309 0.0002 824 TYR 79 H -0.0030 -0.0196 -0.0012 825 TYR 79 HA -0.0034 -0.0208 0.0037 826 TYR 79 HB2 -0.0045 -0.0262 0.0014 827 TYR 79 HB3 -0.0045 -0.0257 0.0053 828 TYR 79 HD1 -0.0047 -0.0276 -0.0026 829 TYR 79 HD2 -0.0047 -0.0263 0.0068 830 TYR 79 HE1 -0.0051 -0.0300 -0.0038 831 TYR 79 HE2 -0.0051 -0.0288 0.0056 832 TYR 79 HH -0.0052 -0.0296 0.0011 833 SER 80 N -0.0027 -0.0179 0.0050 834 SER 80 CA -0.0023 -0.0160 0.0060 835 SER 80 C -0.0025 -0.0162 0.0096 836 SER 80 O -0.0030 -0.0182 0.0110 837 SER 80 CB -0.0016 -0.0128 0.0050 838 SER 80 OG -0.0012 -0.0107 0.0057 839 SER 80 H -0.0025 -0.0171 0.0053 840 SER 80 HA -0.0024 -0.0167 0.0050 841 SER 80 HB2 -0.0015 -0.0127 0.0026 842 SER 80 HB3 -0.0015 -0.0120 0.0062 843 SER 80 HG -0.0012 -0.0111 0.0041 844 GLN 81 N -0.0021 -0.0145 0.0110 845 GLN 81 CA -0.0024 -0.0144 0.0142 846 GLN 81 C -0.0024 -0.0133 0.0157 847 GLN 81 O -0.0019 -0.0116 0.0144 848 GLN 81 CB -0.0021 -0.0123 0.0151 849 GLN 81 CG -0.0025 -0.0125 0.0185 850 GLN 81 CD -0.0022 -0.0102 0.0195 851 GLN 81 OE1 -0.0016 -0.0077 0.0183 852 GLN 81 NE2 -0.0026 -0.0111 0.0217 853 GLN 81 H -0.0017 -0.0130 0.0096 854 GLN 81 HA -0.0029 -0.0166 0.0150 855 GLN 81 HB2 -0.0021 -0.0128 0.0138 856 GLN 81 HB3 -0.0017 -0.0100 0.0147 857 GLN 81 HG2 -0.0026 -0.0121 0.0198 858 GLN 81 HG3 -0.0029 -0.0147 0.0189 859 GLN 81 HE21 -0.0030 -0.0131 0.0225 860 GLN 81 HE22 -0.0024 -0.0097 0.0224 861 GLU 82 N -0.0024 -0.0148 0.0182 862 GLU 82 CA -0.0024 -0.0144 0.0200 863 GLU 82 C -0.0029 -0.0164 0.0192 864 GLU 82 O -0.0030 -0.0166 0.0205 865 GLU 82 CB -0.0017 -0.0114 0.0201 866 GLU 82 CG -0.0016 -0.0107 0.0221 867 GLU 82 CD -0.0009 -0.0077 0.0221 868 GLU 82 OE1 -0.0005 -0.0067 0.0201 869 GLU 82 OE2 -0.0006 -0.0063 0.0242 870 GLU 82 H -0.0027 -0.0159 0.0190 871 GLU 82 HA -0.0027 -0.0150 0.0221 872 GLU 82 HB2 -0.0014 -0.0101 0.0208 873 GLU 82 HB3 -0.0014 -0.0108 0.0180 874 GLU 82 HG2 -0.0018 -0.0118 0.0213 875 GLU 82 HG3 -0.0018 -0.0114 0.0242 876 GLU 83 N -0.0031 -0.0175 0.0172 877 GLU 83 CA -0.0034 -0.0196 0.0161 878 GLU 83 C -0.0039 -0.0224 0.0160 879 GLU 83 O -0.0042 -0.0244 0.0174 880 GLU 83 CB -0.0032 -0.0188 0.0132 881 GLU 83 CG -0.0036 -0.0209 0.0118 882 GLU 83 CD -0.0034 -0.0198 0.0091 883 GLU 83 OE1 -0.0033 -0.0197 0.0070 884 GLU 83 OE2 -0.0033 -0.0191 0.0091 885 GLU 83 H -0.0030 -0.0171 0.0164 886 GLU 83 HA -0.0035 -0.0199 0.0175 887 GLU 83 HB2 -0.0029 -0.0169 0.0134 888 GLU 83 HB3 -0.0032 -0.0184 0.0118 889 GLU 83 HG2 -0.0039 -0.0227 0.0113 890 GLU 83 HG3 -0.0037 -0.0215 0.0132 891 ALA 84 N -0.0034 -0.0226 0.0141 892 ALA 84 CA -0.0037 -0.0252 0.0140 893 ALA 84 C -0.0037 -0.0249 0.0162 894 ALA 84 O -0.0039 -0.0264 0.0160 895 ALA 84 CB -0.0038 -0.0257 0.0110 896 ALA 84 H -0.0032 -0.0209 0.0130 897 ALA 84 HA -0.0040 -0.0270 0.0147 898 ALA 84 HB1 -0.0040 -0.0275 0.0109 899 ALA 84 HB2 -0.0036 -0.0238 0.0102 900 ALA 84 HB3 -0.0038 -0.0260 0.0095 901 GLU 85 N -0.0037 -0.0231 0.0183 902 GLU 85 CA -0.0040 -0.0227 0.0203 903 GLU 85 C -0.0041 -0.0208 0.0219 904 GLU 85 O -0.0038 -0.0186 0.0215 905 GLU 85 CB -0.0037 -0.0217 0.0193 906 GLU 85 CG -0.0040 -0.0217 0.0212 907 GLU 85 CD -0.0042 -0.0197 0.0233 908 GLU 85 OE1 -0.0039 -0.0175 0.0229 909 GLU 85 OE2 -0.0045 -0.0203 0.0253 910 GLU 85 H -0.0036 -0.0220 0.0183 911 GLU 85 HA -0.0043 -0.0245 0.0212 912 GLU 85 HB2 -0.0036 -0.0228 0.0177 913 GLU 85 HB3 -0.0034 -0.0198 0.0187 914 GLU 85 HG2 -0.0043 -0.0235 0.0221 915 GLU 85 HG3 -0.0039 -0.0217 0.0203 916 ARG 86 N -0.0047 -0.0212 0.0237 917 ARG 86 CA -0.0047 -0.0203 0.0247 918 ARG 86 C -0.0050 -0.0204 0.0261 919 ARG 86 O -0.0054 -0.0214 0.0264 920 ARG 86 CB -0.0047 -0.0204 0.0245 921 ARG 86 CG -0.0050 -0.0218 0.0244 922 ARG 86 CD -0.0055 -0.0226 0.0256 923 ARG 86 NE -0.0057 -0.0239 0.0254 924 ARG 86 CZ -0.0061 -0.0249 0.0261 925 ARG 86 NH1 -0.0063 -0.0247 0.0272 926 ARG 86 NH2 -0.0064 -0.0260 0.0258 927 ARG 86 H -0.0050 -0.0221 0.0239 928 ARG 86 HA -0.0044 -0.0194 0.0244 929 ARG 86 HB2 -0.0048 -0.0199 0.0254 930 ARG 86 HB3 -0.0044 -0.0199 0.0237 931 ARG 86 HG2 -0.0050 -0.0217 0.0243 932 ARG 86 HG3 -0.0050 -0.0223 0.0236 933 ARG 86 HD2 -0.0055 -0.0226 0.0258 934 ARG 86 HD3 -0.0055 -0.0221 0.0264 935 ARG 86 HE -0.0056 -0.0240 0.0246 936 ARG 86 HH11 -0.0062 -0.0238 0.0275 937 ARG 86 HH12 -0.0066 -0.0254 0.0278 938 ARG 86 HH21 -0.0062 -0.0262 0.0250 939 ARG 86 HH22 -0.0067 -0.0268 0.0263 940 ALA 87 N -0.0053 -0.0191 0.0264 941 ALA 87 CA -0.0055 -0.0190 0.0276 942 ALA 87 C -0.0056 -0.0191 0.0284 943 ALA 87 O -0.0056 -0.0185 0.0292 944 ALA 87 CB -0.0052 -0.0180 0.0278 945 ALA 87 H -0.0051 -0.0185 0.0261 946 ALA 87 HA -0.0057 -0.0197 0.0277 947 ALA 87 HB1 -0.0049 -0.0173 0.0276 948 ALA 87 HB2 -0.0051 -0.0180 0.0272 949 ALA 87 HB3 -0.0053 -0.0179 0.0286 950 ALA 88 N -0.0061 -0.0203 0.0284 951 ALA 88 CA -0.0065 -0.0194 0.0294 952 ALA 88 C -0.0077 -0.0197 0.0295 953 ALA 88 O -0.0075 -0.0198 0.0294 954 ALA 88 CB -0.0054 -0.0185 0.0296 955 ALA 88 H -0.0059 -0.0208 0.0279 956 ALA 88 HA -0.0069 -0.0190 0.0298 957 ALA 88 HB1 -0.0050 -0.0189 0.0292 958 ALA 88 HB2 -0.0045 -0.0183 0.0295 959 ALA 88 HB3 -0.0057 -0.0178 0.0303 960 GLY 89 N -0.0099 -0.0208 0.0298 961 GLY 89 CA -0.0103 -0.0185 0.0291 962 GLY 89 C -0.0135 -0.0186 0.0269 963 GLY 89 O -0.0152 -0.0177 0.0255 964 GLY 89 H -0.0115 -0.0225 0.0291 965 GLY 89 HA2 -0.0094 -0.0159 0.0293 966 GLY 89 HA3 -0.0093 -0.0194 0.0301 967 MET 90 N -0.0084 -0.0186 0.0300 968 MET 90 CA -0.0164 -0.0192 0.0243 969 MET 90 C -0.0128 -0.0067 0.0071 970 MET 90 O -0.0225 -0.0033 -0.0066 971 MET 90 CB -0.0367 -0.0294 0.0239 972 MET 90 CG -0.0459 -0.0327 0.0216 973 MET 90 SD -0.0460 -0.0205 0.0016 974 MET 90 CE -0.0590 -0.0282 0.0034 975 MET 90 H 0.0010 -0.0203 0.0406 976 MET 90 HA -0.0095 -0.0213 0.0335 977 MET 90 HB2 -0.0385 -0.0376 0.0358 978 MET 90 HB3 -0.0436 -0.0266 0.0137 979 MET 90 HG2 -0.0390 -0.0355 0.0319 980 MET 90 HG3 -0.0595 -0.0403 0.0227 981 MET 90 HE1 -0.0524 -0.0317 0.0145 982 MET 90 HE2 -0.0604 -0.0220 -0.0079 983 MET 90 HE3 -0.0721 -0.0357 0.0047 984 GLY 91 N 0.0032 -0.0009 0.0090 985 GLY 91 CA 0.0096 0.0118 -0.0088 986 GLY 91 C 0.0128 0.0147 -0.0104 987 GLY 91 O 0.0288 0.0238 -0.0084 988 GLY 91 H 0.0111 -0.0022 0.0221 989 GLY 91 HA2 -0.0008 0.0115 -0.0218 990 GLY 91 HA3 0.0228 0.0198 -0.0080 991 SER 92 N -0.0001 0.0074 -0.0119 992 SER 92 CA 0.0018 0.0086 -0.0123 993 SER 92 C -0.0081 0.0124 -0.0342 994 SER 92 O -0.0266 0.0051 -0.0412 995 SER 92 CB -0.0075 -0.0044 0.0056 996 SER 92 OG 0.0021 -0.0077 0.0259 997 SER 92 H -0.0138 0.0004 -0.0137 998 SER 92 HA 0.0179 0.0164 -0.0092 999 SER 92 HB2 -0.0236 -0.0123 0.0027 1000 SER 92 HB3 -0.0053 -0.0033 0.0060 1001 SER 92 HG 0.0101 -0.0018 0.0227 1002 TYR 93 N 0.0058 0.0249 -0.0456 1003 TYR 93 CA -0.0008 0.0300 -0.0696 1004 TYR 93 C 0.0044 0.0326 -0.0675 1005 TYR 93 O 0.0172 0.0341 -0.0496 1006 TYR 93 CB 0.0122 0.0453 -0.0866 1007 TYR 93 CG 0.0048 0.0509 -0.1132 1008 TYR 93 CD1 -0.0113 0.0458 -0.1276 1009 TYR 93 CD2 0.0140 0.0612 -0.1239 1010 TYR 93 CE1 -0.0182 0.0507 -0.1518 1011 TYR 93 CE2 0.0072 0.0662 -0.1480 1012 TYR 93 CZ -0.0089 0.0609 -0.1619 1013 TYR 93 OH -0.0158 0.0658 -0.1860 1014 TYR 93 H 0.0213 0.0325 -0.0385 1015 TYR 93 HA -0.0179 0.0210 -0.0758 1016 TYR 93 HB2 0.0108 0.0437 -0.0848 1017 TYR 93 HB3 0.0289 0.0544 -0.0812 1018 TYR 93 HD1 -0.0186 0.0378 -0.1196 1019 TYR 93 HD2 0.0267 0.0653 -0.1129 1020 TYR 93 HE1 -0.0309 0.0466 -0.1627 1021 TYR 93 HE2 0.0145 0.0742 -0.1561 1022 TYR 93 HH -0.0186 0.0643 -0.1870 1023 VAL 94 N -0.0054 0.0331 -0.0857 1024 VAL 94 CA -0.0013 0.0364 -0.0864 1025 VAL 94 C 0.0224 0.0533 -0.0872 1026 VAL 94 O 0.0293 0.0656 -0.1059 1027 VAL 94 CB -0.0174 0.0332 -0.1072 1028 VAL 94 CG1 -0.0174 0.0432 -0.1323 1029 VAL 94 CG2 -0.0130 0.0361 -0.1066 1030 VAL 94 H -0.0160 0.0309 -0.0989 1031 VAL 94 HA -0.0034 0.0279 -0.0691 1032 VAL 94 HB -0.0333 0.0207 -0.1039 1033 VAL 94 HG11 -0.0288 0.0406 -0.1459 1034 VAL 94 HG12 -0.0016 0.0558 -0.1360 1035 VAL 94 HG13 -0.0219 0.0402 -0.1328 1036 VAL 94 HG21 0.0031 0.0484 -0.1090 1037 VAL 94 HG22 -0.0243 0.0339 -0.1210 1038 VAL 94 HG23 -0.0147 0.0280 -0.0893