1 ASP 28 N -0.0108 0.0170 0.0136 2 ASP 28 CA -0.0088 0.0122 0.0020 3 ASP 28 C -0.0117 0.0212 -0.0069 4 ASP 28 O -0.0143 0.0283 -0.0048 5 ASP 28 CB -0.0058 0.0036 0.0020 6 ASP 28 CG -0.0035 -0.0019 -0.0097 7 ASP 28 OD1 -0.0013 -0.0080 -0.0136 8 ASP 28 OD2 -0.0038 -0.0007 -0.0149 9 ASP 28 H -0.0088 0.0109 0.0199 10 ASP 28 HA -0.0073 0.0082 -0.0001 11 ASP 28 HB2 -0.0037 -0.0028 0.0083 12 ASP 28 HB3 -0.0072 0.0076 0.0043 13 PRO 29 N -0.0047 0.0017 0.0108 14 PRO 29 CA -0.0206 -0.0004 0.0100 15 PRO 29 C -0.0275 0.0075 0.0199 16 PRO 29 O -0.0221 0.0107 0.0231 17 PRO 29 CB -0.0222 -0.0098 -0.0007 18 PRO 29 CG -0.0077 -0.0140 -0.0071 19 PRO 29 CD 0.0036 -0.0057 0.0014 20 PRO 29 HA -0.0258 -0.0015 0.0093 21 PRO 29 HB2 -0.0249 -0.0080 0.0016 22 PRO 29 HB3 -0.0310 -0.0146 -0.0053 23 PRO 29 HG2 -0.0055 -0.0179 -0.0118 24 PRO 29 HG3 -0.0077 -0.0188 -0.0127 25 PRO 29 HD2 0.0079 -0.0031 0.0039 26 PRO 29 HD3 0.0123 -0.0079 -0.0021 27 ASN 30 N 0.0042 -0.0054 -0.0086 28 ASN 30 CA 0.0074 -0.0089 -0.0087 29 ASN 30 C 0.0031 -0.0084 -0.0148 30 ASN 30 O 0.0003 -0.0042 -0.0132 31 ASN 30 CB 0.0102 -0.0067 -0.0005 32 ASN 30 CG 0.0135 -0.0099 0.0001 33 ASN 30 OD1 0.0190 -0.0151 0.0013 34 ASN 30 ND2 0.0102 -0.0068 -0.0006 35 ASN 30 H 0.0063 -0.0079 -0.0088 36 ASN 30 HA 0.0111 -0.0142 -0.0103 37 ASN 30 HB2 0.0135 -0.0078 0.0032 38 ASN 30 HB3 0.0063 -0.0013 0.0010 39 ASN 30 HD21 0.0058 -0.0025 -0.0015 40 ASN 30 HD22 0.0123 -0.0088 -0.0003 41 ALA 31 N 0.0042 -0.0015 -0.0059 42 ALA 31 CA 0.0034 0.0015 -0.0089 43 ALA 31 C 0.0035 -0.0039 -0.0145 44 ALA 31 O 0.0027 -0.0039 -0.0210 45 ALA 31 CB 0.0021 0.0090 -0.0125 46 ALA 31 H 0.0044 -0.0058 -0.0083 47 ALA 31 HA 0.0039 0.0023 -0.0044 48 ALA 31 HB1 0.0015 0.0111 -0.0145 49 ALA 31 HB2 0.0016 0.0083 -0.0171 50 ALA 31 HB3 0.0020 0.0128 -0.0085 51 GLU 32 N 0.0063 -0.0012 0.0005 52 GLU 32 CA 0.0060 0.0005 0.0024 53 GLU 32 C 0.0054 -0.0032 0.0030 54 GLU 32 O 0.0048 -0.0029 0.0053 55 GLU 32 CB 0.0072 0.0037 -0.0003 56 GLU 32 CG 0.0082 0.0021 -0.0046 57 GLU 32 CD 0.0093 0.0055 -0.0070 58 GLU 32 OE1 0.0092 0.0059 -0.0067 59 GLU 32 OE2 0.0102 0.0078 -0.0091 60 GLU 32 H 0.0072 -0.0009 -0.0025 61 GLU 32 HA 0.0054 0.0019 0.0052 62 GLU 32 HB2 0.0069 0.0049 0.0013 63 GLU 32 HB3 0.0076 0.0062 -0.0006 64 GLU 32 HG2 0.0085 0.0011 -0.0062 65 GLU 32 HG3 0.0078 -0.0005 -0.0043 66 PHE 33 N 0.0024 -0.0067 -0.0001 67 PHE 33 CA 0.0031 -0.0075 0.0007 68 PHE 33 C 0.0024 -0.0032 -0.0015 69 PHE 33 O 0.0019 0.0006 -0.0033 70 PHE 33 CB 0.0077 -0.0082 0.0044 71 PHE 33 CG 0.0110 -0.0040 0.0052 72 PHE 33 CD1 0.0125 0.0003 0.0046 73 PHE 33 CD2 0.0126 -0.0044 0.0065 74 PHE 33 CE1 0.0155 0.0041 0.0053 75 PHE 33 CE2 0.0156 -0.0005 0.0072 76 PHE 33 CZ 0.0170 0.0037 0.0066 77 PHE 33 H 0.0045 -0.0044 0.0005 78 PHE 33 HA 0.0010 -0.0109 0.0004 79 PHE 33 HB2 0.0084 -0.0083 0.0049 80 PHE 33 HB3 0.0081 -0.0115 0.0060 81 PHE 33 HD1 0.0113 0.0006 0.0036 82 PHE 33 HD2 0.0115 -0.0077 0.0070 83 PHE 33 HE1 0.0166 0.0074 0.0049 84 PHE 33 HE2 0.0168 -0.0009 0.0083 85 PHE 33 HZ 0.0193 0.0067 0.0072 86 ASP 34 N 0.0059 -0.0030 0.0005 87 ASP 34 CA 0.0063 -0.0031 0.0004 88 ASP 34 C 0.0035 -0.0021 0.0010 89 ASP 34 O 0.0021 -0.0001 0.0007 90 ASP 34 CB 0.0085 -0.0013 -0.0009 91 ASP 34 CG 0.0093 -0.0015 -0.0010 92 ASP 34 OD1 0.0076 -0.0004 -0.0009 93 ASP 34 OD2 0.0115 -0.0029 -0.0012 94 ASP 34 H 0.0058 -0.0012 -0.0000 95 ASP 34 HA 0.0069 -0.0052 0.0010 96 ASP 34 HB2 0.0104 -0.0018 -0.0013 97 ASP 34 HB3 0.0078 0.0009 -0.0014 98 PRO 35 N 0.0043 0.0006 0.0009 99 PRO 35 CA 0.0021 0.0021 0.0022 100 PRO 35 C -0.0002 0.0041 0.0001 101 PRO 35 O -0.0022 0.0054 0.0010 102 PRO 35 CB 0.0014 0.0021 0.0052 103 PRO 35 CG 0.0022 0.0017 0.0045 104 PRO 35 CD 0.0045 0.0003 0.0023 105 PRO 35 HA 0.0024 0.0018 0.0026 106 PRO 35 HB2 -0.0005 0.0035 0.0058 107 PRO 35 HB3 0.0025 0.0011 0.0070 108 PRO 35 HG2 0.0007 0.0029 0.0035 109 PRO 35 HG3 0.0027 0.0010 0.0066 110 PRO 35 HD2 0.0045 0.0006 0.0005 111 PRO 35 HD3 0.0062 -0.0011 0.0035 112 ASP 36 N -0.0069 -0.0104 0.0059 113 ASP 36 CA -0.0107 -0.0057 0.0015 114 ASP 36 C -0.0095 0.0048 -0.0077 115 ASP 36 O -0.0168 0.0100 -0.0130 116 ASP 36 CB -0.0029 -0.0087 0.0048 117 ASP 36 CG -0.0062 -0.0038 0.0002 118 ASP 36 OD1 -0.0161 -0.0063 0.0015 119 ASP 36 OD2 0.0013 0.0026 -0.0049 120 ASP 36 H 0.0022 -0.0107 0.0070 121 ASP 36 HA -0.0205 -0.0078 0.0026 122 ASP 36 HB2 -0.0045 -0.0162 0.0114 123 ASP 36 HB3 0.0069 -0.0072 0.0043 124 LEU 37 N 0.0024 0.0090 -0.0081 125 LEU 37 CA 0.0023 0.0117 -0.0077 126 LEU 37 C -0.0009 0.0124 -0.0061 127 LEU 37 O -0.0028 0.0101 -0.0055 128 LEU 37 CB 0.0043 0.0110 -0.0088 129 LEU 37 CG 0.0078 0.0113 -0.0104 130 LEU 37 CD1 0.0089 0.0148 -0.0105 131 LEU 37 CD2 0.0090 0.0086 -0.0113 132 LEU 37 H 0.0024 0.0067 -0.0084 133 LEU 37 HA 0.0033 0.0138 -0.0080 134 LEU 37 HB2 0.0037 0.0084 -0.0088 135 LEU 37 HB3 0.0037 0.0126 -0.0083 136 LEU 37 HG 0.0088 0.0109 -0.0109 137 LEU 37 HD11 0.0113 0.0149 -0.0116 138 LEU 37 HD12 0.0079 0.0153 -0.0099 139 LEU 37 HD13 0.0082 0.0166 -0.0099 140 LEU 37 HD21 0.0114 0.0090 -0.0124 141 LEU 37 HD22 0.0084 0.0062 -0.0113 142 LEU 37 HD23 0.0080 0.0089 -0.0108 143 PRO 38 N -0.0004 0.0052 -0.0083 144 PRO 38 CA -0.0005 0.0049 -0.0073 145 PRO 38 C -0.0007 0.0037 -0.0071 146 PRO 38 O -0.0007 0.0033 -0.0078 147 PRO 38 CB -0.0005 0.0056 -0.0071 148 PRO 38 CG -0.0003 0.0064 -0.0080 149 PRO 38 CD -0.0003 0.0060 -0.0089 150 PRO 38 HA -0.0006 0.0052 -0.0067 151 PRO 38 HB2 -0.0005 0.0051 -0.0073 152 PRO 38 HB3 -0.0005 0.0059 -0.0063 153 PRO 38 HG2 -0.0002 0.0067 -0.0082 154 PRO 38 HG3 -0.0002 0.0071 -0.0076 155 PRO 38 HD2 -0.0003 0.0056 -0.0094 156 PRO 38 HD3 -0.0002 0.0066 -0.0093 157 GLY 39 N -0.0039 0.0009 -0.0026 158 GLY 39 CA -0.0028 0.0007 -0.0027 159 GLY 39 C -0.0021 0.0004 -0.0021 160 GLY 39 O -0.0011 0.0002 -0.0023 161 GLY 39 H -0.0044 0.0010 -0.0021 162 GLY 39 HA2 -0.0028 0.0006 -0.0024 163 GLY 39 HA3 -0.0025 0.0008 -0.0035 164 GLY 40 N 0.0011 0.0022 -0.0022 165 GLY 40 CA 0.0021 0.0014 -0.0013 166 GLY 40 C 0.0033 0.0016 -0.0020 167 GLY 40 O 0.0043 0.0010 -0.0015 168 GLY 40 H 0.0000 0.0023 -0.0021 169 GLY 40 HA2 0.0015 0.0011 -0.0005 170 GLY 40 HA3 0.0028 0.0010 -0.0009 171 GLY 41 N 0.0011 0.0061 -0.0030 172 GLY 41 CA 0.0021 0.0066 -0.0024 173 GLY 41 C 0.0015 0.0074 -0.0022 174 GLY 41 O 0.0022 0.0078 -0.0018 175 GLY 41 H 0.0009 0.0063 -0.0029 176 GLY 41 HA2 0.0026 0.0072 -0.0020 177 GLY 41 HA3 0.0029 0.0059 -0.0026 178 LEU 42 N 0.0027 0.0029 0.0033 179 LEU 42 CA 0.0033 0.0037 0.0031 180 LEU 42 C 0.0035 0.0038 0.0022 181 LEU 42 O 0.0040 0.0044 0.0020 182 LEU 42 CB 0.0036 0.0040 0.0029 183 LEU 42 CG 0.0036 0.0040 0.0037 184 LEU 42 CD1 0.0039 0.0043 0.0034 185 LEU 42 CD2 0.0039 0.0043 0.0046 186 LEU 42 H 0.0024 0.0027 0.0030 187 LEU 42 HA 0.0036 0.0039 0.0037 188 LEU 42 HB2 0.0034 0.0037 0.0023 189 LEU 42 HB3 0.0041 0.0046 0.0027 190 LEU 42 HG 0.0031 0.0034 0.0039 191 LEU 42 HD11 0.0038 0.0042 0.0040 192 LEU 42 HD12 0.0044 0.0048 0.0033 193 LEU 42 HD13 0.0036 0.0040 0.0028 194 LEU 42 HD21 0.0044 0.0048 0.0045 195 LEU 42 HD22 0.0038 0.0043 0.0052 196 LEU 42 HD23 0.0036 0.0040 0.0049 197 HIS 43 N 0.0002 -0.0023 -0.0002 198 HIS 43 CA -0.0001 -0.0014 0.0008 199 HIS 43 C 0.0010 -0.0001 0.0006 200 HIS 43 O 0.0016 0.0008 0.0008 201 HIS 43 CB -0.0009 -0.0009 0.0021 202 HIS 43 CG -0.0020 -0.0020 0.0024 203 HIS 43 ND1 -0.0031 -0.0028 0.0029 204 HIS 43 CD2 -0.0023 -0.0026 0.0022 205 HIS 43 CE1 -0.0039 -0.0037 0.0031 206 HIS 43 NE2 -0.0035 -0.0036 0.0027 207 HIS 43 H 0.0007 -0.0019 -0.0005 208 HIS 43 HA -0.0005 -0.0019 0.0008 209 HIS 43 HB2 -0.0004 -0.0002 0.0021 210 HIS 43 HB3 -0.0012 -0.0003 0.0028 211 HIS 43 HD1 -0.0032 -0.0026 0.0031 212 HIS 43 HD2 -0.0017 -0.0023 0.0018 213 HIS 43 HE1 -0.0048 -0.0043 0.0035 214 HIS 43 HE2 -0.0038 -0.0043 0.0025 215 ARG 44 N 0.0069 0.0052 0.0017 216 ARG 44 CA 0.0044 0.0025 0.0029 217 ARG 44 C 0.0043 0.0007 0.0024 218 ARG 44 O 0.0053 0.0022 0.0020 219 ARG 44 CB 0.0018 0.0041 0.0056 220 ARG 44 CG 0.0018 0.0068 0.0066 221 ARG 44 CD -0.0008 0.0083 0.0093 222 ARG 44 NE -0.0010 0.0111 0.0104 223 ARG 44 CZ -0.0032 0.0126 0.0128 224 ARG 44 NH1 -0.0055 0.0116 0.0143 225 ARG 44 NH2 -0.0032 0.0151 0.0136 226 ARG 44 H 0.0073 0.0070 0.0020 227 ARG 44 HA 0.0043 0.0007 0.0024 228 ARG 44 HB2 0.0016 0.0051 0.0061 229 ARG 44 HB3 0.0001 0.0019 0.0063 230 ARG 44 HG2 0.0017 0.0056 0.0062 231 ARG 44 HG3 0.0036 0.0088 0.0057 232 ARG 44 HD2 -0.0008 0.0093 0.0096 233 ARG 44 HD3 -0.0027 0.0062 0.0101 234 ARG 44 HE 0.0007 0.0120 0.0093 235 ARG 44 HH11 -0.0056 0.0097 0.0137 236 ARG 44 HH12 -0.0072 0.0126 0.0161 237 ARG 44 HH21 -0.0016 0.0160 0.0126 238 ARG 44 HH22 -0.0049 0.0162 0.0154 239 CYS 45 N 0.0044 -0.0003 0.0011 240 CYS 45 CA 0.0043 -0.0019 -0.0008 241 CYS 45 C 0.0029 -0.0014 -0.0027 242 CYS 45 O 0.0015 0.0004 -0.0031 243 CYS 45 CB 0.0040 -0.0017 -0.0011 244 CYS 45 SG 0.0035 -0.0034 -0.0038 245 CYS 45 H 0.0037 0.0012 0.0016 246 CYS 45 HA 0.0053 -0.0035 -0.0007 247 CYS 45 HB2 0.0051 -0.0023 0.0002 248 CYS 45 HB3 0.0031 -0.0000 -0.0008 249 LEU 46 N 0.0069 -0.0032 -0.0102 250 LEU 46 CA -0.0000 -0.0019 -0.0080 251 LEU 46 C -0.0073 -0.0070 -0.0125 252 LEU 46 O -0.0151 -0.0060 -0.0104 253 LEU 46 CB 0.0039 -0.0005 -0.0070 254 LEU 46 CG 0.0108 0.0049 -0.0022 255 LEU 46 CD1 0.0148 0.0055 -0.0020 256 LEU 46 CD2 0.0070 0.0108 0.0044 257 LEU 46 H 0.0127 -0.0038 -0.0115 258 LEU 46 HA -0.0029 0.0022 -0.0034 259 LEU 46 HB2 0.0068 -0.0045 -0.0116 260 LEU 46 HB3 -0.0013 0.0004 -0.0055 261 LEU 46 HG 0.0158 0.0040 -0.0037 262 LEU 46 HD11 0.0181 0.0015 -0.0067 263 LEU 46 HD12 0.0195 0.0095 0.0016 264 LEU 46 HD13 0.0096 0.0060 -0.0009 265 LEU 46 HD21 0.0048 0.0105 0.0044 266 LEU 46 HD22 0.0016 0.0116 0.0059 267 LEU 46 HD23 0.0120 0.0146 0.0078 268 ALA 47 N 0.0026 -0.0055 -0.0131 269 ALA 47 CA 0.0032 -0.0036 -0.0137 270 ALA 47 C 0.0045 0.0005 -0.0130 271 ALA 47 O 0.0051 0.0027 -0.0142 272 ALA 47 CB 0.0027 -0.0052 -0.0111 273 ALA 47 H 0.0021 -0.0073 -0.0111 274 ALA 47 HA 0.0029 -0.0040 -0.0166 275 ALA 47 HB1 0.0031 -0.0039 -0.0116 276 ALA 47 HB2 0.0030 -0.0048 -0.0081 277 ALA 47 HB3 0.0018 -0.0081 -0.0116 278 CYS 48 N -0.0038 -0.0041 -0.0066 279 CYS 48 CA -0.0051 -0.0007 -0.0057 280 CYS 48 C -0.0066 0.0036 -0.0043 281 CYS 48 O -0.0083 0.0067 -0.0039 282 CYS 48 CB -0.0023 -0.0010 -0.0033 283 CYS 48 SG -0.0014 -0.0055 -0.0053 284 CYS 48 H -0.0017 -0.0044 -0.0049 285 CYS 48 HA -0.0075 -0.0011 -0.0081 286 CYS 48 HB2 0.0004 -0.0014 -0.0009 287 CYS 48 HB3 -0.0034 0.0015 -0.0027 288 ALA 49 N -0.0104 0.0000 -0.0062 289 ALA 49 CA -0.0129 0.0076 -0.0019 290 ALA 49 C -0.0090 0.0108 -0.0002 291 ALA 49 O -0.0120 0.0161 0.0028 292 ALA 49 CB -0.0223 0.0082 -0.0016 293 ALA 49 H -0.0075 -0.0012 -0.0069 294 ALA 49 HA -0.0105 0.0105 -0.0003 295 ALA 49 HB1 -0.0246 0.0053 -0.0032 296 ALA 49 HB2 -0.0248 0.0060 -0.0028 297 ALA 49 HB3 -0.0240 0.0138 0.0016 298 ARG 50 N -0.0074 0.0054 -0.0027 299 ARG 50 CA -0.0023 0.0086 -0.0002 300 ARG 50 C 0.0012 0.0097 0.0016 301 ARG 50 O 0.0013 0.0058 0.0020 302 ARG 50 CB 0.0009 0.0051 0.0018 303 ARG 50 CG -0.0021 0.0042 0.0002 304 ARG 50 CD 0.0013 0.0007 0.0024 305 ARG 50 NE -0.0016 -0.0004 0.0009 306 ARG 50 CZ 0.0004 -0.0038 0.0021 307 ARG 50 NH1 0.0053 -0.0063 0.0050 308 ARG 50 NH2 -0.0026 -0.0046 0.0006 309 ARG 50 H -0.0074 0.0009 -0.0024 310 ARG 50 HA -0.0034 0.0131 -0.0011 311 ARG 50 HB2 0.0018 0.0005 0.0026 312 ARG 50 HB3 0.0047 0.0076 0.0037 313 ARG 50 HG2 -0.0030 0.0087 -0.0005 314 ARG 50 HG3 -0.0060 0.0016 -0.0017 315 ARG 50 HD2 0.0023 -0.0038 0.0032 316 ARG 50 HD3 0.0051 0.0033 0.0042 317 ARG 50 HE -0.0052 0.0016 -0.0012 318 ARG 50 HH11 0.0077 -0.0057 0.0063 319 ARG 50 HH12 0.0069 -0.0088 0.0061 320 ARG 50 HH21 -0.0063 -0.0027 -0.0016 321 ARG 50 HH22 -0.0012 -0.0073 0.0015 322 TYR 51 N -0.0008 0.0028 0.0012 323 TYR 51 CA 0.0010 0.0053 0.0005 324 TYR 51 C 0.0032 0.0042 -0.0018 325 TYR 51 O 0.0031 0.0023 -0.0023 326 TYR 51 CB 0.0002 0.0070 0.0017 327 TYR 51 CG -0.0022 0.0079 0.0040 328 TYR 51 CD1 -0.0043 0.0061 0.0052 329 TYR 51 CD2 -0.0022 0.0106 0.0050 330 TYR 51 CE1 -0.0065 0.0069 0.0073 331 TYR 51 CE2 -0.0044 0.0115 0.0071 332 TYR 51 CZ -0.0065 0.0096 0.0082 333 TYR 51 OH -0.0086 0.0105 0.0103 334 TYR 51 H -0.0015 0.0017 0.0014 335 TYR 51 HA 0.0013 0.0067 0.0007 336 TYR 51 HB2 -0.0000 0.0056 0.0014 337 TYR 51 HB3 0.0016 0.0089 0.0012 338 TYR 51 HD1 -0.0043 0.0040 0.0045 339 TYR 51 HD2 -0.0006 0.0121 0.0041 340 TYR 51 HE1 -0.0081 0.0055 0.0082 341 TYR 51 HE2 -0.0044 0.0136 0.0078 342 TYR 51 HH -0.0096 0.0099 0.0109 343 PHE 52 N 0.0014 -0.0027 -0.0000 344 PHE 52 CA 0.0010 -0.0026 -0.0004 345 PHE 52 C 0.0002 -0.0030 -0.0020 346 PHE 52 O -0.0006 -0.0028 -0.0025 347 PHE 52 CB 0.0000 -0.0017 0.0007 348 PHE 52 CG 0.0008 -0.0013 0.0024 349 PHE 52 CD1 0.0008 -0.0010 0.0032 350 PHE 52 CD2 0.0014 -0.0013 0.0031 351 PHE 52 CE1 0.0015 -0.0006 0.0047 352 PHE 52 CE2 0.0021 -0.0010 0.0046 353 PHE 52 CZ 0.0021 -0.0006 0.0054 354 PHE 52 H 0.0007 -0.0023 -0.0000 355 PHE 52 HA 0.0020 -0.0031 -0.0002 356 PHE 52 HB2 -0.0010 -0.0012 0.0006 357 PHE 52 HB3 -0.0003 -0.0016 0.0005 358 PHE 52 HD1 0.0003 -0.0010 0.0026 359 PHE 52 HD2 0.0014 -0.0016 0.0025 360 PHE 52 HE1 0.0015 -0.0004 0.0053 361 PHE 52 HE2 0.0026 -0.0010 0.0052 362 PHE 52 HZ 0.0027 -0.0004 0.0066 363 ILE 53 N -0.0053 -0.0024 -0.0059 364 ILE 53 CA -0.0069 -0.0043 -0.0056 365 ILE 53 C -0.0079 -0.0047 -0.0055 366 ILE 53 O -0.0084 -0.0066 -0.0054 367 ILE 53 CB -0.0088 -0.0040 -0.0053 368 ILE 53 CG1 -0.0100 -0.0017 -0.0051 369 ILE 53 CG2 -0.0078 -0.0042 -0.0055 370 ILE 53 CD1 -0.0120 -0.0013 -0.0048 371 ILE 53 H -0.0057 -0.0012 -0.0058 372 ILE 53 HA -0.0059 -0.0058 -0.0058 373 ILE 53 HB -0.0099 -0.0054 -0.0051 374 ILE 53 HG12 -0.0089 -0.0003 -0.0053 375 ILE 53 HG13 -0.0107 -0.0017 -0.0050 376 ILE 53 HG21 -0.0066 -0.0029 -0.0056 377 ILE 53 HG22 -0.0071 -0.0058 -0.0056 378 ILE 53 HG23 -0.0092 -0.0040 -0.0052 379 ILE 53 HD11 -0.0132 -0.0027 -0.0046 380 ILE 53 HD12 -0.0127 0.0003 -0.0047 381 ILE 53 HD13 -0.0114 -0.0014 -0.0049 382 ASP 54 N -0.0078 -0.0127 -0.0046 383 ASP 54 CA -0.0126 -0.0128 -0.0041 384 ASP 54 C -0.0111 -0.0080 -0.0026 385 ASP 54 O -0.0077 -0.0035 -0.0015 386 ASP 54 CB -0.0190 -0.0118 -0.0030 387 ASP 54 CG -0.0244 -0.0123 -0.0025 388 ASP 54 OD1 -0.0268 -0.0173 -0.0039 389 ASP 54 OD2 -0.0264 -0.0076 -0.0006 390 ASP 54 H -0.0055 -0.0088 -0.0036 391 ASP 54 HA -0.0127 -0.0172 -0.0056 392 ASP 54 HB2 -0.0199 -0.0151 -0.0040 393 ASP 54 HB3 -0.0189 -0.0074 -0.0015 394 SER 55 N -0.0083 -0.0095 0.0010 395 SER 55 CA -0.0073 -0.0059 0.0020 396 SER 55 C -0.0086 -0.0037 0.0009 397 SER 55 O -0.0073 -0.0015 0.0020 398 SER 55 CB -0.0077 -0.0042 0.0017 399 SER 55 OG -0.0068 -0.0006 0.0025 400 SER 55 H -0.0092 -0.0103 0.0002 401 SER 55 HA -0.0051 -0.0060 0.0039 402 SER 55 HB2 -0.0065 -0.0057 0.0027 403 SER 55 HB3 -0.0097 -0.0043 -0.0001 404 SER 55 HG -0.0083 0.0009 0.0013 405 THR 56 N -0.0136 -0.0095 0.0017 406 THR 56 CA -0.0175 -0.0052 -0.0033 407 THR 56 C -0.0143 -0.0096 0.0008 408 THR 56 O -0.0135 -0.0033 0.0017 409 THR 56 CB -0.0253 -0.0087 -0.0130 410 THR 56 OG1 -0.0280 -0.0058 -0.0165 411 THR 56 CG2 -0.0298 -0.0030 -0.0187 412 THR 56 H -0.0161 -0.0146 -0.0014 413 THR 56 HA -0.0172 0.0040 -0.0029 414 THR 56 HB -0.0255 -0.0178 -0.0131 415 THR 56 HG1 -0.0265 -0.0119 -0.0145 416 THR 56 HG21 -0.0352 -0.0057 -0.0255 417 THR 56 HG22 -0.0295 0.0062 -0.0184 418 THR 56 HG23 -0.0278 -0.0052 -0.0162 419 ASN 57 N -0.0113 -0.0047 -0.0024 420 ASN 57 CA -0.0086 -0.0069 -0.0001 421 ASN 57 C -0.0057 -0.0047 0.0044 422 ASN 57 O -0.0042 -0.0039 0.0066 423 ASN 57 CB -0.0074 -0.0126 -0.0009 424 ASN 57 CG -0.0096 -0.0153 -0.0048 425 ASN 57 OD1 -0.0089 -0.0167 -0.0046 426 ASN 57 ND2 -0.0121 -0.0161 -0.0082 427 ASN 57 H -0.0115 -0.0068 -0.0037 428 ASN 57 HA -0.0097 -0.0061 -0.0011 429 ASN 57 HB2 -0.0075 -0.0133 -0.0013 430 ASN 57 HB3 -0.0048 -0.0140 0.0017 431 ASN 57 HD21 -0.0126 -0.0149 -0.0083 432 ASN 57 HD22 -0.0135 -0.0178 -0.0107 433 LEU 58 N -0.0031 -0.0037 0.0054 434 LEU 58 CA -0.0012 -0.0029 0.0060 435 LEU 58 C -0.0012 -0.0007 0.0058 436 LEU 58 O -0.0002 0.0005 0.0060 437 LEU 58 CB -0.0002 -0.0041 0.0066 438 LEU 58 CG 0.0017 -0.0034 0.0072 439 LEU 58 CD1 0.0017 -0.0018 0.0070 440 LEU 58 CD2 0.0029 -0.0027 0.0076 441 LEU 58 H -0.0036 -0.0046 0.0054 442 LEU 58 HA -0.0006 -0.0031 0.0063 443 LEU 58 HB2 -0.0001 -0.0055 0.0068 444 LEU 58 HB3 -0.0011 -0.0042 0.0063 445 LEU 58 HG 0.0024 -0.0045 0.0076 446 LEU 58 HD11 0.0030 -0.0013 0.0074 447 LEU 58 HD12 0.0010 -0.0006 0.0066 448 LEU 58 HD13 0.0009 -0.0023 0.0068 449 LEU 58 HD21 0.0023 -0.0015 0.0072 450 LEU 58 HD22 0.0043 -0.0023 0.0080 451 LEU 58 HD23 0.0030 -0.0039 0.0077 452 LYS 59 N -0.0018 -0.0026 0.0051 453 LYS 59 CA -0.0017 0.0009 0.0042 454 LYS 59 C -0.0026 0.0001 0.0025 455 LYS 59 O -0.0021 0.0020 0.0031 456 LYS 59 CB -0.0023 0.0039 0.0020 457 LYS 59 CG -0.0040 0.0027 -0.0015 458 LYS 59 CD -0.0044 0.0057 -0.0034 459 LYS 59 CE -0.0043 0.0095 -0.0042 460 LYS 59 NZ -0.0055 0.0091 -0.0068 461 LYS 59 H -0.0023 -0.0032 0.0042 462 LYS 59 HA -0.0004 0.0020 0.0067 463 LYS 59 HB2 -0.0021 0.0065 0.0017 464 LYS 59 HB3 -0.0015 0.0044 0.0035 465 LYS 59 HG2 -0.0042 0.0000 -0.0012 466 LYS 59 HG3 -0.0048 0.0023 -0.0031 467 LYS 59 HD2 -0.0036 0.0062 -0.0016 468 LYS 59 HD3 -0.0057 0.0046 -0.0058 469 LYS 59 HE2 -0.0031 0.0106 -0.0019 470 LYS 59 HE3 -0.0045 0.0115 -0.0053 471 LYS 59 HZ1 -0.0067 0.0083 -0.0092 472 LYS 59 HZ2 -0.0054 0.0117 -0.0073 473 LYS 59 HZ3 -0.0054 0.0072 -0.0060 474 THR 60 N -0.0042 -0.0014 0.0061 475 THR 60 CA -0.0041 0.0004 0.0073 476 THR 60 C -0.0021 0.0016 0.0069 477 THR 60 O -0.0017 0.0033 0.0078 478 THR 60 CB -0.0047 0.0004 0.0075 479 THR 60 OG1 -0.0066 -0.0007 0.0079 480 THR 60 CG2 -0.0045 0.0022 0.0087 481 THR 60 H -0.0045 -0.0024 0.0056 482 THR 60 HA -0.0050 0.0009 0.0081 483 THR 60 HB -0.0037 -0.0002 0.0066 484 THR 60 HG1 -0.0066 -0.0020 0.0071 485 THR 60 HG21 -0.0049 0.0021 0.0089 486 THR 60 HG22 -0.0055 0.0028 0.0096 487 THR 60 HG23 -0.0031 0.0031 0.0085 488 HIS 61 N 0.0001 -0.0020 0.0068 489 HIS 61 CA 0.0004 -0.0014 0.0060 490 HIS 61 C 0.0015 -0.0011 0.0048 491 HIS 61 O 0.0015 -0.0003 0.0039 492 HIS 61 CB 0.0007 -0.0021 0.0065 493 HIS 61 CG 0.0014 -0.0018 0.0057 494 HIS 61 ND1 0.0009 -0.0010 0.0051 495 HIS 61 CD2 0.0027 -0.0023 0.0054 496 HIS 61 CE1 0.0018 -0.0009 0.0044 497 HIS 61 NE2 0.0029 -0.0017 0.0045 498 HIS 61 H 0.0002 -0.0027 0.0075 499 HIS 61 HA -0.0005 -0.0007 0.0058 500 HIS 61 HB2 -0.0003 -0.0021 0.0071 501 HIS 61 HB3 0.0012 -0.0030 0.0071 502 HIS 61 HD1 -0.0001 -0.0004 0.0051 503 HIS 61 HD2 0.0035 -0.0030 0.0057 504 HIS 61 HE1 0.0019 -0.0003 0.0037 505 PHE 62 N 0.0041 -0.0018 0.0012 506 PHE 62 CA 0.0047 -0.0017 0.0004 507 PHE 62 C 0.0047 -0.0016 -0.0008 508 PHE 62 O 0.0053 -0.0016 -0.0016 509 PHE 62 CB 0.0060 -0.0017 0.0008 510 PHE 62 CG 0.0061 -0.0017 0.0020 511 PHE 62 CD1 0.0055 -0.0018 0.0024 512 PHE 62 CD2 0.0068 -0.0017 0.0028 513 PHE 62 CE1 0.0056 -0.0019 0.0035 514 PHE 62 CE2 0.0069 -0.0018 0.0039 515 PHE 62 CZ 0.0063 -0.0019 0.0043 516 PHE 62 H 0.0044 -0.0018 0.0016 517 PHE 62 HA 0.0043 -0.0018 0.0003 518 PHE 62 HB2 0.0065 -0.0016 0.0007 519 PHE 62 HB3 0.0063 -0.0016 0.0002 520 PHE 62 HD1 0.0050 -0.0018 0.0018 521 PHE 62 HD2 0.0072 -0.0017 0.0025 522 PHE 62 HE1 0.0052 -0.0019 0.0038 523 PHE 62 HE2 0.0074 -0.0018 0.0045 524 PHE 62 HZ 0.0064 -0.0019 0.0052 525 ARG 63 N -0.0001 -0.0047 -0.0039 526 ARG 63 CA 0.0012 -0.0069 -0.0062 527 ARG 63 C -0.0024 -0.0076 -0.0099 528 ARG 63 O -0.0020 -0.0094 -0.0122 529 ARG 63 CB 0.0027 -0.0061 -0.0038 530 ARG 63 CG 0.0069 -0.0060 -0.0006 531 ARG 63 CD 0.0083 -0.0051 0.0018 532 ARG 63 NE 0.0090 -0.0071 -0.0007 533 ARG 63 CZ 0.0109 -0.0071 0.0007 534 ARG 63 NH1 0.0126 -0.0053 0.0046 535 ARG 63 NH2 0.0111 -0.0089 -0.0018 536 ARG 63 H -0.0009 -0.0026 -0.0014 537 ARG 63 HA 0.0038 -0.0090 -0.0073 538 ARG 63 HB2 0.0003 -0.0039 -0.0024 539 ARG 63 HB3 0.0033 -0.0077 -0.0057 540 ARG 63 HG2 0.0093 -0.0082 -0.0021 541 ARG 63 HG3 0.0063 -0.0044 0.0013 542 ARG 63 HD2 0.0113 -0.0051 0.0039 543 ARG 63 HD3 0.0059 -0.0028 0.0034 544 ARG 63 HE 0.0078 -0.0084 -0.0036 545 ARG 63 HH11 0.0125 -0.0039 0.0066 546 ARG 63 HH12 0.0140 -0.0053 0.0057 547 ARG 63 HH21 0.0099 -0.0103 -0.0048 548 ARG 63 HH22 0.0125 -0.0090 -0.0009 549 SER 64 N 0.0033 -0.0018 -0.0080 550 SER 64 CA 0.0036 -0.0015 -0.0079 551 SER 64 C 0.0070 0.0019 -0.0075 552 SER 64 O 0.0096 0.0018 -0.0047 553 SER 64 CB 0.0037 -0.0047 -0.0049 554 SER 64 OG 0.0011 -0.0079 -0.0047 555 SER 64 H 0.0040 -0.0033 -0.0059 556 SER 64 HA 0.0016 -0.0012 -0.0102 557 SER 64 HB2 0.0061 -0.0046 -0.0026 558 SER 64 HB3 0.0036 -0.0047 -0.0051 559 SER 64 HG -0.0010 -0.0083 -0.0065 560 LYS 65 N 0.0073 0.0026 -0.0145 561 LYS 65 CA 0.0098 0.0091 -0.0118 562 LYS 65 C 0.0179 0.0092 -0.0079 563 LYS 65 O 0.0210 0.0116 -0.0059 564 LYS 65 CB 0.0058 0.0170 -0.0120 565 LYS 65 CG 0.0053 0.0189 -0.0118 566 LYS 65 CD 0.0124 0.0199 -0.0081 567 LYS 65 CE 0.0116 0.0218 -0.0081 568 LYS 65 NZ 0.0185 0.0223 -0.0047 569 LYS 65 H 0.0040 0.0035 -0.0158 570 LYS 65 HA 0.0085 0.0080 -0.0127 571 LYS 65 HB2 0.0084 0.0215 -0.0097 572 LYS 65 HB3 0.0004 0.0172 -0.0145 573 LYS 65 HG2 0.0020 0.0242 -0.0122 574 LYS 65 HG3 0.0028 0.0144 -0.0139 575 LYS 65 HD2 0.0159 0.0146 -0.0077 576 LYS 65 HD3 0.0148 0.0245 -0.0060 577 LYS 65 HE2 0.0085 0.0272 -0.0084 578 LYS 65 HE3 0.0089 0.0174 -0.0104 579 LYS 65 HZ1 0.0214 0.0264 -0.0024 580 LYS 65 HZ2 0.0216 0.0171 -0.0044 581 LYS 65 HZ3 0.0178 0.0237 -0.0047 582 ASP 66 N 0.0143 0.0102 0.0058 583 ASP 66 CA 0.0148 0.0105 0.0051 584 ASP 66 C 0.0145 0.0102 0.0028 585 ASP 66 O 0.0141 0.0100 0.0021 586 ASP 66 CB 0.0168 0.0116 0.0055 587 ASP 66 CG 0.0175 0.0119 0.0052 588 ASP 66 OD1 0.0174 0.0119 0.0066 589 ASP 66 OD2 0.0181 0.0122 0.0035 590 ASP 66 H 0.0152 0.0107 0.0062 591 ASP 66 HA 0.0141 0.0101 0.0060 592 ASP 66 HB2 0.0171 0.0117 0.0071 593 ASP 66 HB3 0.0176 0.0119 0.0045 594 HIS 67 N 0.0067 0.0013 0.0022 595 HIS 67 CA 0.0068 0.0011 0.0020 596 HIS 67 C 0.0062 0.0018 0.0022 597 HIS 67 O 0.0064 0.0019 0.0027 598 HIS 67 CB 0.0066 0.0006 0.0010 599 HIS 67 CG 0.0067 0.0003 0.0006 600 HIS 67 ND1 0.0072 0.0001 0.0012 601 HIS 67 CD2 0.0065 0.0001 -0.0002 602 HIS 67 CE1 0.0073 -0.0004 0.0007 603 HIS 67 NE2 0.0069 -0.0004 -0.0002 604 HIS 67 H 0.0066 0.0011 0.0017 605 HIS 67 HA 0.0073 0.0007 0.0024 606 HIS 67 HB2 0.0070 0.0001 0.0008 607 HIS 67 HB3 0.0061 0.0010 0.0005 608 HIS 67 HD1 0.0074 0.0002 0.0019 609 HIS 67 HD2 0.0060 0.0003 -0.0007 610 HIS 67 HE1 0.0077 -0.0007 0.0009 611 LYS 68 N 0.0049 -0.0026 -0.0010 612 LYS 68 CA 0.0045 -0.0017 -0.0008 613 LYS 68 C 0.0027 -0.0036 -0.0004 614 LYS 68 O 0.0013 -0.0028 -0.0000 615 LYS 68 CB 0.0071 -0.0014 -0.0015 616 LYS 68 CG 0.0090 0.0004 -0.0019 617 LYS 68 CD 0.0116 0.0005 -0.0026 618 LYS 68 CE 0.0129 -0.0023 -0.0030 619 LYS 68 NZ 0.0154 -0.0021 -0.0037 620 LYS 68 H 0.0066 -0.0034 -0.0015 621 LYS 68 HA 0.0036 0.0003 -0.0005 622 LYS 68 HB2 0.0079 -0.0034 -0.0018 623 LYS 68 HB3 0.0069 -0.0005 -0.0014 624 LYS 68 HG2 0.0083 0.0023 -0.0017 625 LYS 68 HG3 0.0093 -0.0005 -0.0020 626 LYS 68 HD2 0.0114 0.0013 -0.0025 627 LYS 68 HD3 0.0129 0.0018 -0.0029 628 LYS 68 HE2 0.0130 -0.0031 -0.0031 629 LYS 68 HE3 0.0116 -0.0035 -0.0028 630 LYS 68 HZ1 0.0154 -0.0014 -0.0037 631 LYS 68 HZ2 0.0163 -0.0040 -0.0040 632 LYS 68 HZ3 0.0166 -0.0009 -0.0040 633 LYS 69 N 0.0080 0.0059 0.0035 634 LYS 69 CA 0.0069 0.0042 -0.0011 635 LYS 69 C 0.0037 0.0053 -0.0007 636 LYS 69 O 0.0047 0.0042 -0.0027 637 LYS 69 CB 0.0041 0.0037 -0.0041 638 LYS 69 CG 0.0012 0.0026 -0.0086 639 LYS 69 CD -0.0017 0.0025 -0.0106 640 LYS 69 CE -0.0051 0.0016 -0.0150 641 LYS 69 NZ -0.0079 0.0017 -0.0165 642 LYS 69 H 0.0071 0.0063 0.0039 643 LYS 69 HA 0.0103 0.0026 -0.0026 644 LYS 69 HB2 0.0067 0.0026 -0.0050 645 LYS 69 HB3 0.0016 0.0054 -0.0020 646 LYS 69 HG2 -0.0011 0.0037 -0.0076 647 LYS 69 HG3 0.0037 0.0008 -0.0110 648 LYS 69 HD2 0.0009 0.0014 -0.0115 649 LYS 69 HD3 -0.0038 0.0043 -0.0080 650 LYS 69 HE2 -0.0076 0.0026 -0.0143 651 LYS 69 HE3 -0.0029 -0.0003 -0.0178 652 LYS 69 HZ1 -0.0104 0.0012 -0.0195 653 LYS 69 HZ2 -0.0099 0.0035 -0.0137 654 LYS 69 HZ3 -0.0055 0.0008 -0.0171 655 ARG 70 N 0.0023 0.0018 0.0076 656 ARG 70 CA -0.0009 0.0035 0.0064 657 ARG 70 C -0.0025 0.0054 0.0057 658 ARG 70 O -0.0058 0.0055 0.0047 659 ARG 70 CB -0.0002 0.0064 0.0062 660 ARG 70 CG -0.0036 0.0080 0.0050 661 ARG 70 CD -0.0062 0.0050 0.0046 662 ARG 70 NE -0.0095 0.0065 0.0034 663 ARG 70 CZ -0.0127 0.0046 0.0028 664 ARG 70 NH1 -0.0129 0.0011 0.0032 665 ARG 70 NH2 -0.0155 0.0062 0.0017 666 ARG 70 H 0.0046 0.0029 0.0081 667 ARG 70 HA -0.0028 0.0013 0.0062 668 ARG 70 HB2 0.0013 0.0051 0.0068 669 ARG 70 HB3 0.0014 0.0086 0.0064 670 ARG 70 HG2 -0.0029 0.0099 0.0049 671 ARG 70 HG3 -0.0049 0.0094 0.0044 672 ARG 70 HD2 -0.0068 0.0030 0.0047 673 ARG 70 HD3 -0.0048 0.0036 0.0052 674 ARG 70 HE -0.0093 0.0090 0.0031 675 ARG 70 HH11 -0.0108 -0.0002 0.0040 676 ARG 70 HH12 -0.0153 -0.0003 0.0027 677 ARG 70 HH21 -0.0154 0.0088 0.0014 678 ARG 70 HH22 -0.0180 0.0049 0.0012 679 LEU 71 N -0.0030 -0.0026 0.0061 680 LEU 71 CA -0.0043 -0.0027 0.0047 681 LEU 71 C -0.0061 -0.0036 0.0052 682 LEU 71 O -0.0073 -0.0037 0.0041 683 LEU 71 CB -0.0042 -0.0026 0.0045 684 LEU 71 CG -0.0025 -0.0017 0.0039 685 LEU 71 CD1 -0.0026 -0.0016 0.0036 686 LEU 71 CD2 -0.0020 -0.0009 0.0023 687 LEU 71 H -0.0023 -0.0026 0.0068 688 LEU 71 HA -0.0041 -0.0022 0.0035 689 LEU 71 HB2 -0.0044 -0.0031 0.0057 690 LEU 71 HB3 -0.0053 -0.0026 0.0035 691 LEU 71 HG -0.0014 -0.0016 0.0050 692 LEU 71 HD11 -0.0036 -0.0017 0.0025 693 LEU 71 HD12 -0.0029 -0.0022 0.0048 694 LEU 71 HD13 -0.0013 -0.0010 0.0033 695 LEU 71 HD21 -0.0018 -0.0009 0.0026 696 LEU 71 HD22 -0.0030 -0.0009 0.0012 697 LEU 71 HD23 -0.0008 -0.0003 0.0019 698 LYS 72 N -0.0124 -0.0069 0.0058 699 LYS 72 CA -0.0102 -0.0011 0.0066 700 LYS 72 C -0.0054 -0.0002 0.0104 701 LYS 72 O -0.0021 0.0023 0.0126 702 LYS 72 CB -0.0132 0.0036 0.0033 703 LYS 72 CG -0.0112 0.0098 0.0038 704 LYS 72 CD -0.0145 0.0141 0.0004 705 LYS 72 CE -0.0127 0.0204 0.0008 706 LYS 72 NZ -0.0159 0.0245 -0.0026 707 LYS 72 H -0.0153 -0.0073 0.0035 708 LYS 72 HA -0.0098 -0.0007 0.0068 709 LYS 72 HB2 -0.0165 0.0028 0.0007 710 LYS 72 HB3 -0.0135 0.0031 0.0031 711 LYS 72 HG2 -0.0080 0.0108 0.0063 712 LYS 72 HG3 -0.0106 0.0103 0.0042 713 LYS 72 HD2 -0.0178 0.0131 -0.0021 714 LYS 72 HD3 -0.0151 0.0136 0.0000 715 LYS 72 HE2 -0.0095 0.0214 0.0032 716 LYS 72 HE3 -0.0120 0.0207 0.0013 717 LYS 72 HZ1 -0.0166 0.0243 -0.0032 718 LYS 72 HZ2 -0.0190 0.0237 -0.0050 719 LYS 72 HZ3 -0.0145 0.0288 -0.0022 720 GLN 73 N -0.0099 0.0029 0.0064 721 GLN 73 CA -0.0081 0.0033 0.0069 722 GLN 73 C -0.0072 0.0022 0.0052 723 GLN 73 O -0.0067 0.0023 0.0053 724 GLN 73 CB -0.0061 0.0040 0.0078 725 GLN 73 CG -0.0068 0.0052 0.0097 726 GLN 73 CD -0.0048 0.0058 0.0105 727 GLN 73 OE1 -0.0032 0.0052 0.0094 728 GLN 73 NE2 -0.0048 0.0071 0.0123 729 GLN 73 H -0.0096 0.0029 0.0065 730 GLN 73 HA -0.0088 0.0040 0.0080 731 GLN 73 HB2 -0.0054 0.0033 0.0068 732 GLN 73 HB3 -0.0048 0.0043 0.0082 733 GLN 73 HG2 -0.0073 0.0059 0.0107 734 GLN 73 HG3 -0.0081 0.0049 0.0093 735 GLN 73 HE21 -0.0061 0.0075 0.0131 736 GLN 73 HE22 -0.0036 0.0075 0.0129 737 LEU 74 N -0.0080 -0.0035 0.0003 738 LEU 74 CA -0.0074 -0.0042 -0.0012 739 LEU 74 C -0.0068 -0.0080 -0.0012 740 LEU 74 O -0.0061 -0.0091 -0.0029 741 LEU 74 CB -0.0083 -0.0024 0.0005 742 LEU 74 CG -0.0077 -0.0026 -0.0010 743 LEU 74 CD1 -0.0068 -0.0012 -0.0044 744 LEU 74 CD2 -0.0087 -0.0007 0.0009 745 LEU 74 H -0.0089 -0.0027 0.0025 746 LEU 74 HA -0.0067 -0.0033 -0.0036 747 LEU 74 HB2 -0.0087 0.0002 0.0007 748 LEU 74 HB3 -0.0089 -0.0036 0.0028 749 LEU 74 HG -0.0073 -0.0051 -0.0010 750 LEU 74 HD11 -0.0065 -0.0013 -0.0054 751 LEU 74 HD12 -0.0072 0.0014 -0.0045 752 LEU 74 HD13 -0.0061 -0.0026 -0.0059 753 LEU 74 HD21 -0.0091 0.0019 0.0010 754 LEU 74 HD22 -0.0083 -0.0008 -0.0001 755 LEU 74 HD23 -0.0093 -0.0018 0.0034 756 SER 75 N -0.0022 -0.0064 0.0015 757 SER 75 CA 0.0014 -0.0143 0.0031 758 SER 75 C -0.0029 -0.0241 0.0089 759 SER 75 O 0.0010 -0.0324 0.0105 760 SER 75 CB 0.0130 -0.0160 -0.0012 761 SER 75 OG 0.0166 -0.0231 0.0002 762 SER 75 H -0.0074 -0.0010 0.0016 763 SER 75 HA -0.0017 -0.0115 0.0033 764 SER 75 HB2 0.0156 -0.0089 -0.0051 765 SER 75 HB3 0.0161 -0.0187 -0.0014 766 SER 75 HG 0.0217 -0.0204 -0.0031 767 VAL 76 N -0.0073 -0.0146 0.0010 768 VAL 76 CA -0.0077 -0.0153 0.0008 769 VAL 76 C -0.0101 -0.0184 0.0030 770 VAL 76 O -0.0112 -0.0211 0.0013 771 VAL 76 CB -0.0062 -0.0119 0.0027 772 VAL 76 CG1 -0.0066 -0.0127 0.0026 773 VAL 76 CG2 -0.0037 -0.0088 0.0005 774 VAL 76 H -0.0064 -0.0123 0.0024 775 VAL 76 HA -0.0072 -0.0160 -0.0023 776 VAL 76 HB -0.0067 -0.0113 0.0057 777 VAL 76 HG11 -0.0056 -0.0103 0.0039 778 VAL 76 HG12 -0.0062 -0.0134 -0.0005 779 VAL 76 HG13 -0.0084 -0.0148 0.0043 780 VAL 76 HG21 -0.0028 -0.0065 0.0019 781 VAL 76 HG22 -0.0035 -0.0083 0.0007 782 VAL 76 HG23 -0.0032 -0.0095 -0.0026 783 GLU 77 N -0.0102 -0.0127 0.0036 784 GLU 77 CA -0.0114 -0.0131 0.0040 785 GLU 77 C -0.0121 -0.0158 0.0080 786 GLU 77 O -0.0091 -0.0169 0.0103 787 GLU 77 CB -0.0080 -0.0115 0.0024 788 GLU 77 CG -0.0033 -0.0118 0.0038 789 GLU 77 CD -0.0002 -0.0103 0.0023 790 GLU 77 OE1 0.0008 -0.0081 -0.0009 791 GLU 77 OE2 0.0014 -0.0115 0.0044 792 GLU 77 H -0.0083 -0.0137 0.0056 793 GLU 77 HA -0.0145 -0.0125 0.0023 794 GLU 77 HB2 -0.0089 -0.0122 0.0032 795 GLU 77 HB3 -0.0083 -0.0096 -0.0006 796 GLU 77 HG2 -0.0023 -0.0111 0.0030 797 GLU 77 HG3 -0.0030 -0.0137 0.0068 798 PRO 78 N -0.0133 -0.0131 0.0123 799 PRO 78 CA -0.0152 -0.0103 0.0148 800 PRO 78 C -0.0193 -0.0103 0.0142 801 PRO 78 O -0.0215 -0.0119 0.0122 802 PRO 78 CB -0.0154 -0.0097 0.0154 803 PRO 78 CG -0.0125 -0.0118 0.0137 804 PRO 78 CD -0.0124 -0.0143 0.0112 805 PRO 78 HA -0.0137 -0.0089 0.0165 806 PRO 78 HB2 -0.0183 -0.0099 0.0148 807 PRO 78 HB3 -0.0146 -0.0076 0.0176 808 PRO 78 HG2 -0.0133 -0.0123 0.0131 809 PRO 78 HG3 -0.0096 -0.0111 0.0149 810 PRO 78 HD2 -0.0146 -0.0156 0.0095 811 PRO 78 HD3 -0.0095 -0.0155 0.0105 812 TYR 79 N -0.0085 -0.0074 0.0139 813 TYR 79 CA -0.0139 -0.0055 0.0072 814 TYR 79 C -0.0217 -0.0146 0.0097 815 TYR 79 O -0.0196 -0.0185 0.0155 816 TYR 79 CB -0.0069 0.0014 0.0063 817 TYR 79 CG -0.0001 0.0109 0.0025 818 TYR 79 CD1 0.0092 0.0131 0.0085 819 TYR 79 CD2 -0.0031 0.0177 -0.0071 820 TYR 79 CE1 0.0153 0.0217 0.0050 821 TYR 79 CE2 0.0030 0.0264 -0.0107 822 TYR 79 CZ 0.0122 0.0284 -0.0046 823 TYR 79 OH 0.0183 0.0371 -0.0081 824 TYR 79 H -0.0097 -0.0061 0.0115 825 TYR 79 HA -0.0180 -0.0025 0.0005 826 TYR 79 HB2 -0.0022 -0.0013 0.0132 827 TYR 79 HB3 -0.0114 0.0021 0.0016 828 TYR 79 HD1 0.0116 0.0079 0.0161 829 TYR 79 HD2 -0.0103 0.0161 -0.0119 830 TYR 79 HE1 0.0225 0.0232 0.0099 831 TYR 79 HE2 0.0005 0.0316 -0.0182 832 TYR 79 HH 0.0140 0.0384 -0.0132 833 SER 80 N -0.0001 -0.0079 -0.0002 834 SER 80 CA 0.0019 -0.0067 -0.0013 835 SER 80 C 0.0058 -0.0071 -0.0032 836 SER 80 O 0.0069 -0.0076 -0.0037 837 SER 80 CB 0.0009 -0.0093 -0.0005 838 SER 80 OG 0.0025 -0.0081 -0.0014 839 SER 80 H -0.0001 -0.0107 0.0001 840 SER 80 HA 0.0011 -0.0037 -0.0012 841 SER 80 HB2 -0.0019 -0.0092 0.0009 842 SER 80 HB3 0.0018 -0.0123 -0.0006 843 SER 80 HG 0.0010 -0.0059 -0.0009 844 GLN 81 N 0.0166 -0.0056 -0.0106 845 GLN 81 CA 0.0154 -0.0055 -0.0089 846 GLN 81 C 0.0151 -0.0039 -0.0080 847 GLN 81 O 0.0160 -0.0025 -0.0086 848 GLN 81 CB 0.0152 -0.0051 -0.0085 849 GLN 81 CG 0.0139 -0.0053 -0.0067 850 GLN 81 CD 0.0137 -0.0047 -0.0063 851 GLN 81 OE1 0.0145 -0.0034 -0.0069 852 GLN 81 NE2 0.0127 -0.0056 -0.0051 853 GLN 81 H 0.0173 -0.0052 -0.0114 854 GLN 81 HA 0.0148 -0.0069 -0.0085 855 GLN 81 HB2 0.0156 -0.0061 -0.0093 856 GLN 81 HB3 0.0157 -0.0036 -0.0087 857 GLN 81 HG2 0.0136 -0.0043 -0.0059 858 GLN 81 HG3 0.0134 -0.0068 -0.0065 859 GLN 81 HE21 0.0121 -0.0066 -0.0047 860 GLN 81 HE22 0.0125 -0.0052 -0.0048 861 GLU 82 N 0.0168 -0.0068 -0.0027 862 GLU 82 CA 0.0161 -0.0046 -0.0005 863 GLU 82 C 0.0154 -0.0030 0.0012 864 GLU 82 O 0.0146 -0.0011 0.0031 865 GLU 82 CB 0.0187 -0.0040 0.0004 866 GLU 82 CG 0.0182 -0.0018 0.0026 867 GLU 82 CD 0.0208 -0.0014 0.0033 868 GLU 82 OE1 0.0233 -0.0009 0.0041 869 GLU 82 OE2 0.0203 -0.0016 0.0030 870 GLU 82 H 0.0151 -0.0077 -0.0039 871 GLU 82 HA 0.0140 -0.0048 -0.0008 872 GLU 82 HB2 0.0190 -0.0052 -0.0008 873 GLU 82 HB3 0.0209 -0.0040 0.0006 874 GLU 82 HG2 0.0181 -0.0006 0.0040 875 GLU 82 HG3 0.0160 -0.0018 0.0025 876 GLU 83 N 0.0114 -0.0004 -0.0074 877 GLU 83 CA 0.0119 -0.0008 -0.0080 878 GLU 83 C 0.0144 0.0020 -0.0068 879 GLU 83 O 0.0173 0.0020 -0.0082 880 GLU 83 CB 0.0083 -0.0018 -0.0071 881 GLU 83 CG 0.0085 -0.0023 -0.0077 882 GLU 83 CD 0.0049 -0.0035 -0.0071 883 GLU 83 OE1 0.0030 -0.0019 -0.0047 884 GLU 83 OE2 0.0039 -0.0062 -0.0090 885 GLU 83 H 0.0107 0.0014 -0.0055 886 GLU 83 HA 0.0132 -0.0025 -0.0102 887 GLU 83 HB2 0.0067 -0.0038 -0.0082 888 GLU 83 HB3 0.0070 -0.0001 -0.0050 889 GLU 83 HG2 0.0098 -0.0002 -0.0065 890 GLU 83 HG3 0.0101 -0.0038 -0.0098 891 ALA 84 N 0.0104 -0.0042 -0.0074 892 ALA 84 CA 0.0104 -0.0060 -0.0073 893 ALA 84 C 0.0080 -0.0082 -0.0072 894 ALA 84 O 0.0080 -0.0103 -0.0071 895 ALA 84 CB 0.0133 -0.0074 -0.0072 896 ALA 84 H 0.0113 -0.0050 -0.0074 897 ALA 84 HA 0.0101 -0.0046 -0.0074 898 ALA 84 HB1 0.0132 -0.0087 -0.0071 899 ALA 84 HB2 0.0137 -0.0087 -0.0071 900 ALA 84 HB3 0.0149 -0.0058 -0.0073 901 GLU 85 N 0.0015 -0.0142 -0.0060 902 GLU 85 CA -0.0013 -0.0158 -0.0055 903 GLU 85 C 0.0004 -0.0085 0.0032 904 GLU 85 O 0.0082 -0.0033 0.0029 905 GLU 85 CB 0.0045 -0.0179 -0.0144 906 GLU 85 CG 0.0010 -0.0211 -0.0155 907 GLU 85 CD 0.0026 -0.0156 -0.0091 908 GLU 85 OE1 0.0102 -0.0119 -0.0115 909 GLU 85 OE2 -0.0037 -0.0148 -0.0016 910 GLU 85 H 0.0043 -0.0091 -0.0015 911 GLU 85 HA -0.0087 -0.0204 -0.0047 912 GLU 85 HB2 0.0047 -0.0219 -0.0204 913 GLU 85 HB3 0.0116 -0.0128 -0.0142 914 GLU 85 HG2 -0.0064 -0.0247 -0.0133 915 GLU 85 HG3 0.0036 -0.0243 -0.0228 916 ARG 86 N -0.0158 -0.0106 0.0306 917 ARG 86 CA -0.0250 -0.0041 0.0239 918 ARG 86 C -0.0328 -0.0050 0.0264 919 ARG 86 O -0.0287 -0.0087 0.0306 920 ARG 86 CB -0.0192 0.0034 0.0130 921 ARG 86 CG -0.0071 0.0031 0.0111 922 ARG 86 CD -0.0083 0.0018 0.0131 923 ARG 86 NE 0.0036 0.0009 0.0120 924 ARG 86 CZ 0.0060 -0.0017 0.0150 925 ARG 86 NH1 -0.0029 -0.0035 0.0189 926 ARG 86 NH2 0.0174 -0.0026 0.0140 927 ARG 86 H -0.0099 -0.0125 0.0320 928 ARG 86 HA -0.0312 -0.0037 0.0245 929 ARG 86 HB2 -0.0257 0.0078 0.0084 930 ARG 86 HB3 -0.0175 0.0049 0.0106 931 ARG 86 HG2 -0.0037 0.0085 0.0035 932 ARG 86 HG3 -0.0005 -0.0014 0.0157 933 ARG 86 HD2 -0.0125 -0.0033 0.0204 934 ARG 86 HD3 -0.0141 0.0066 0.0079 935 ARG 86 HE 0.0104 0.0023 0.0089 936 ARG 86 HH11 -0.0117 -0.0029 0.0199 937 ARG 86 HH12 -0.0013 -0.0054 0.0212 938 ARG 86 HH21 0.0243 -0.0013 0.0110 939 ARG 86 HH22 0.0196 -0.0046 0.0162 940 ALA 87 N 0.0192 -0.0103 -0.0002 941 ALA 87 CA 0.1609 -0.0116 -0.0217 942 ALA 87 C 0.2560 -0.1640 -0.2506 943 ALA 87 O 0.2630 -0.2274 -0.3411 944 ALA 87 CB -0.0170 0.0160 0.0420 945 ALA 87 H -0.1549 -0.0633 -0.0510 946 ALA 87 HA 0.3202 0.0754 0.0792 947 ALA 87 HB1 -0.1789 -0.0694 -0.0562 948 ALA 87 HB2 -0.0836 0.1243 0.2044 949 ALA 87 HB3 0.0854 0.0119 0.0219 950 ALA 88 N -0.0785 0.0120 0.0075 951 ALA 88 CA -0.0856 0.0422 0.0129 952 ALA 88 C -0.0976 0.0491 0.0125 953 ALA 88 O -0.0817 0.0573 0.0167 954 ALA 88 CB -0.0592 0.0602 0.0209 955 ALA 88 H -0.0673 0.0032 0.0074 956 ALA 88 HA -0.1026 0.0471 0.0113 957 ALA 88 HB1 -0.0422 0.0558 0.0225 958 ALA 88 HB2 -0.0510 0.0547 0.0210 959 ALA 88 HB3 -0.0657 0.0829 0.0247 960 GLY 89 N -0.0236 0.0273 -0.0032 961 GLY 89 CA 0.0169 0.0053 0.0018 962 GLY 89 C 0.0811 0.0067 0.0236 963 GLY 89 O 0.0998 -0.0203 0.0195 964 GLY 89 H -0.0101 0.0512 0.0103 965 GLY 89 HA2 0.0093 -0.0397 -0.0178 966 GLY 89 HA3 0.0087 0.0324 0.0094 967 MET 90 N -0.0105 0.0005 0.0039 968 MET 90 CA -0.0049 0.0018 0.0012 969 MET 90 C 0.0028 0.0006 -0.0105 970 MET 90 O -0.0011 -0.0043 -0.0199 971 MET 90 CB -0.0137 -0.0015 0.0017 972 MET 90 CG -0.0088 0.0003 0.0014 973 MET 90 SD 0.0007 -0.0007 -0.0116 974 MET 90 CE 0.0034 0.0014 -0.0089 975 MET 90 H -0.0087 0.0037 0.0108 976 MET 90 HA 0.0008 0.0064 0.0078 977 MET 90 HB2 -0.0197 -0.0010 0.0096 978 MET 90 HB3 -0.0186 -0.0061 -0.0057 979 MET 90 HG2 -0.0040 0.0048 0.0088 980 MET 90 HG3 -0.0159 -0.0021 0.0025 981 MET 90 HE1 0.0075 0.0058 -0.0010 982 MET 90 HE2 0.0090 0.0010 -0.0161 983 MET 90 HE3 -0.0046 -0.0014 -0.0078 984 GLY 91 N 0.0031 0.0025 0.0082 985 GLY 91 CA 0.0006 0.0076 0.0075 986 GLY 91 C -0.0042 0.0056 0.0069 987 GLY 91 O -0.0035 0.0059 0.0070 988 GLY 91 H 0.0049 -0.0008 0.0087 989 GLY 91 HA2 -0.0013 0.0107 0.0070 990 GLY 91 HA3 0.0041 0.0100 0.0079 991 SER 92 N 0.0014 -0.0026 0.0083 992 SER 92 CA -0.0007 -0.0017 0.0047 993 SER 92 C -0.0018 -0.0012 0.0028 994 SER 92 O -0.0007 -0.0037 0.0021 995 SER 92 CB -0.0001 -0.0047 0.0022 996 SER 92 OG 0.0010 -0.0051 0.0040 997 SER 92 H 0.0028 -0.0048 0.0084 998 SER 92 HA -0.0020 0.0008 0.0050 999 SER 92 HB2 0.0012 -0.0072 0.0017 1000 SER 92 HB3 -0.0017 -0.0040 -0.0005 1001 SER 92 HG 0.0013 -0.0037 0.0065 1002 TYR 93 N 0.0001 0.0007 0.0016 1003 TYR 93 CA 0.0002 0.0007 0.0014 1004 TYR 93 C 0.0006 0.0007 0.0018 1005 TYR 93 O 0.0008 0.0007 0.0021 1006 TYR 93 CB 0.0005 0.0005 0.0010 1007 TYR 93 CG 0.0005 0.0005 0.0007 1008 TYR 93 CD1 0.0002 0.0004 0.0004 1009 TYR 93 CD2 0.0009 0.0004 0.0007 1010 TYR 93 CE1 0.0003 0.0004 0.0001 1011 TYR 93 CE2 0.0010 0.0003 0.0005 1012 TYR 93 CZ 0.0007 0.0003 0.0002 1013 TYR 93 OH 0.0007 0.0003 -0.0001 1014 TYR 93 H 0.0004 0.0007 0.0016 1015 TYR 93 HA -0.0001 0.0007 0.0014 1016 TYR 93 HB2 0.0003 0.0005 0.0008 1017 TYR 93 HB3 0.0008 0.0005 0.0010 1018 TYR 93 HD1 -0.0001 0.0005 0.0004 1019 TYR 93 HD2 0.0012 0.0004 0.0009 1020 TYR 93 HE1 -0.0000 0.0004 -0.0001 1021 TYR 93 HE2 0.0013 0.0003 0.0005 1022 TYR 93 HH 0.0008 0.0003 0.0001 1023 VAL 94 N -0.0008 -0.0012 -0.0003 1024 VAL 94 CA -0.0003 -0.0010 -0.0002 1025 VAL 94 C -0.0002 -0.0011 -0.0002 1026 VAL 94 O -0.0001 -0.0015 -0.0003 1027 VAL 94 CB 0.0001 -0.0011 -0.0002 1028 VAL 94 CG1 0.0002 -0.0016 -0.0003 1029 VAL 94 CG2 0.0006 -0.0009 -0.0001 1030 VAL 94 H -0.0007 -0.0014 -0.0003 1031 VAL 94 HA -0.0004 -0.0006 -0.0001 1032 VAL 94 HB 0.0001 -0.0010 -0.0001 1033 VAL 94 HG11 0.0005 -0.0017 -0.0003 1034 VAL 94 HG12 0.0003 -0.0018 -0.0003 1035 VAL 94 HG13 -0.0001 -0.0018 -0.0004 1036 VAL 94 HG21 0.0006 -0.0010 -0.0001 1037 VAL 94 HG22 0.0009 -0.0009 -0.0000 1038 VAL 94 HG23 0.0005 -0.0005 0.0000