1 ASP 28 N -0.0002 -0.0039 0.0230 2 ASP 28 CA -0.0014 -0.0069 0.0170 3 ASP 28 C -0.0014 -0.0018 0.0121 4 ASP 28 O -0.0009 0.0029 0.0113 5 ASP 28 CB -0.0022 -0.0110 0.0145 6 ASP 28 CG -0.0035 -0.0143 0.0084 7 ASP 28 OD1 -0.0040 -0.0186 0.0084 8 ASP 28 OD2 -0.0040 -0.0129 0.0036 9 ASP 28 H -0.0001 -0.0073 0.0264 10 ASP 28 HA -0.0016 -0.0099 0.0180 11 ASP 28 HB2 -0.0022 -0.0146 0.0180 12 ASP 28 HB3 -0.0020 -0.0079 0.0137 13 PRO 29 N -0.0017 -0.0024 0.0098 14 PRO 29 CA -0.0016 0.0026 0.0047 15 PRO 29 C -0.0022 0.0029 -0.0014 16 PRO 29 O -0.0033 -0.0024 -0.0041 17 PRO 29 CB -0.0022 0.0000 0.0025 18 PRO 29 CG -0.0023 -0.0049 0.0079 19 PRO 29 CD -0.0024 -0.0079 0.0109 20 PRO 29 HA -0.0006 0.0076 0.0069 21 PRO 29 HB2 -0.0031 -0.0023 -0.0025 22 PRO 29 HB3 -0.0017 0.0042 0.0020 23 PRO 29 HG2 -0.0032 -0.0089 0.0056 24 PRO 29 HG3 -0.0015 -0.0023 0.0117 25 PRO 29 HD2 -0.0034 -0.0124 0.0083 26 PRO 29 HD3 -0.0020 -0.0089 0.0163 27 ASN 30 N -0.0018 0.0087 -0.0034 28 ASN 30 CA -0.0020 0.0098 -0.0084 29 ASN 30 C -0.0024 0.0061 -0.0075 30 ASN 30 O -0.0031 0.0011 -0.0102 31 ASN 30 CB -0.0026 0.0087 -0.0148 32 ASN 30 CG -0.0028 0.0096 -0.0205 33 ASN 30 OD1 -0.0025 0.0147 -0.0231 34 ASN 30 ND2 -0.0035 0.0046 -0.0226 35 ASN 30 H -0.0013 0.0124 -0.0013 36 ASN 30 HA -0.0015 0.0148 -0.0082 37 ASN 30 HB2 -0.0023 0.0119 -0.0153 38 ASN 30 HB3 -0.0031 0.0039 -0.0145 39 ASN 30 HD21 -0.0038 0.0006 -0.0205 40 ASN 30 HD22 -0.0037 0.0051 -0.0263 41 ALA 31 N -0.0018 0.0083 -0.0035 42 ALA 31 CA -0.0021 0.0058 -0.0026 43 ALA 31 C -0.0013 0.0097 0.0007 44 ALA 31 O -0.0010 0.0098 0.0059 45 ALA 31 CB -0.0026 0.0003 0.0005 46 ALA 31 H -0.0012 0.0116 -0.0014 47 ALA 31 HA -0.0024 0.0051 -0.0066 48 ALA 31 HB1 -0.0028 -0.0015 0.0010 49 ALA 31 HB2 -0.0022 0.0009 0.0045 50 ALA 31 HB3 -0.0031 -0.0024 -0.0019 51 GLU 32 N -0.0015 0.0125 -0.0022 52 GLU 32 CA -0.0012 0.0154 0.0002 53 GLU 32 C -0.0017 0.0120 0.0010 54 GLU 32 O -0.0016 0.0131 0.0039 55 GLU 32 CB -0.0006 0.0200 -0.0032 56 GLU 32 CG -0.0006 0.0186 -0.0085 57 GLU 32 CD 0.0001 0.0233 -0.0115 58 GLU 32 OE1 0.0003 0.0249 -0.0111 59 GLU 32 OE2 0.0005 0.0254 -0.0143 60 GLU 32 H -0.0013 0.0129 -0.0060 61 GLU 32 HA -0.0012 0.0168 0.0038 62 GLU 32 HB2 -0.0004 0.0221 -0.0012 63 GLU 32 HB3 -0.0003 0.0223 -0.0036 64 GLU 32 HG2 -0.0007 0.0166 -0.0106 65 GLU 32 HG3 -0.0009 0.0161 -0.0081 66 PHE 33 N -0.0021 0.0075 -0.0019 67 PHE 33 CA -0.0025 0.0041 -0.0017 68 PHE 33 C -0.0030 -0.0001 0.0010 69 PHE 33 O -0.0030 -0.0005 0.0021 70 PHE 33 CB -0.0027 0.0027 -0.0068 71 PHE 33 CG -0.0028 0.0012 -0.0097 72 PHE 33 CD1 -0.0033 -0.0033 -0.0095 73 PHE 33 CD2 -0.0025 0.0044 -0.0125 74 PHE 33 CE1 -0.0035 -0.0046 -0.0121 75 PHE 33 CE2 -0.0027 0.0031 -0.0151 76 PHE 33 CZ -0.0031 -0.0014 -0.0149 77 PHE 33 H -0.0022 0.0072 -0.0039 78 PHE 33 HA -0.0023 0.0055 -0.0001 79 PHE 33 HB2 -0.0030 -0.0002 -0.0067 80 PHE 33 HB3 -0.0024 0.0056 -0.0085 81 PHE 33 HD1 -0.0036 -0.0058 -0.0073 82 PHE 33 HD2 -0.0021 0.0079 -0.0127 83 PHE 33 HE1 -0.0039 -0.0081 -0.0119 84 PHE 33 HE2 -0.0024 0.0056 -0.0174 85 PHE 33 HZ -0.0033 -0.0024 -0.0169 86 ASP 34 N -0.0032 -0.0033 0.0015 87 ASP 34 CA -0.0035 -0.0070 0.0035 88 ASP 34 C -0.0042 -0.0102 0.0004 89 ASP 34 O -0.0044 -0.0100 -0.0020 90 ASP 34 CB -0.0032 -0.0076 0.0067 91 ASP 34 CG -0.0035 -0.0112 0.0091 92 ASP 34 OD1 -0.0040 -0.0144 0.0078 93 ASP 34 OD2 -0.0031 -0.0108 0.0124 94 ASP 34 H -0.0031 -0.0025 0.0009 95 ASP 34 HA -0.0034 -0.0070 0.0047 96 ASP 34 HB2 -0.0027 -0.0051 0.0086 97 ASP 34 HB3 -0.0034 -0.0078 0.0054 98 PRO 35 N -0.0050 -0.0137 0.0007 99 PRO 35 CA -0.0062 -0.0171 -0.0024 100 PRO 35 C -0.0066 -0.0205 -0.0013 101 PRO 35 O -0.0076 -0.0236 -0.0036 102 PRO 35 CB -0.0065 -0.0189 -0.0023 103 PRO 35 CG -0.0056 -0.0185 0.0022 104 PRO 35 CD -0.0046 -0.0145 0.0037 105 PRO 35 HA -0.0066 -0.0158 -0.0055 106 PRO 35 HB2 -0.0072 -0.0221 -0.0033 107 PRO 35 HB3 -0.0066 -0.0170 -0.0044 108 PRO 35 HG2 -0.0057 -0.0212 0.0040 109 PRO 35 HG3 -0.0055 -0.0184 0.0023 110 PRO 35 HD2 -0.0040 -0.0149 0.0069 111 PRO 35 HD3 -0.0042 -0.0119 0.0035 112 ASP 36 N -0.0054 -0.0192 0.0020 113 ASP 36 CA -0.0057 -0.0219 0.0029 114 ASP 36 C -0.0056 -0.0204 0.0020 115 ASP 36 O -0.0062 -0.0223 0.0010 116 ASP 36 CB -0.0051 -0.0231 0.0070 117 ASP 36 CG -0.0053 -0.0258 0.0081 118 ASP 36 OD1 -0.0061 -0.0290 0.0072 119 ASP 36 OD2 -0.0048 -0.0247 0.0101 120 ASP 36 H -0.0047 -0.0171 0.0036 121 ASP 36 HA -0.0065 -0.0243 0.0013 122 ASP 36 HB2 -0.0052 -0.0244 0.0075 123 ASP 36 HB3 -0.0044 -0.0207 0.0086 124 LEU 37 N -0.0050 -0.0160 0.0023 125 LEU 37 CA -0.0048 -0.0145 0.0018 126 LEU 37 C -0.0051 -0.0134 -0.0019 127 LEU 37 O -0.0050 -0.0118 -0.0034 128 LEU 37 CB -0.0039 -0.0116 0.0042 129 LEU 37 CG -0.0036 -0.0125 0.0079 130 LEU 37 CD1 -0.0040 -0.0148 0.0082 131 LEU 37 CD2 -0.0037 -0.0141 0.0097 132 LEU 37 H -0.0047 -0.0146 0.0029 133 LEU 37 HA -0.0051 -0.0165 0.0023 134 LEU 37 HB2 -0.0037 -0.0101 0.0041 135 LEU 37 HB3 -0.0038 -0.0102 0.0031 136 LEU 37 HG -0.0030 -0.0103 0.0091 137 LEU 37 HD11 -0.0038 -0.0153 0.0108 138 LEU 37 HD12 -0.0046 -0.0171 0.0070 139 LEU 37 HD13 -0.0039 -0.0136 0.0071 140 LEU 37 HD21 -0.0035 -0.0147 0.0123 141 LEU 37 HD22 -0.0034 -0.0124 0.0096 142 LEU 37 HD23 -0.0043 -0.0164 0.0084 143 PRO 38 N -0.0052 -0.0135 -0.0027 144 PRO 38 CA -0.0053 -0.0127 -0.0058 145 PRO 38 C -0.0047 -0.0093 -0.0061 146 PRO 38 O -0.0042 -0.0078 -0.0043 147 PRO 38 CB -0.0056 -0.0141 -0.0063 148 PRO 38 CG -0.0058 -0.0165 -0.0039 149 PRO 38 CD -0.0054 -0.0155 -0.0013 150 PRO 38 HA -0.0056 -0.0136 -0.0074 151 PRO 38 HB2 -0.0052 -0.0124 -0.0059 152 PRO 38 HB3 -0.0059 -0.0149 -0.0085 153 PRO 38 HG2 -0.0058 -0.0168 -0.0033 154 PRO 38 HG3 -0.0063 -0.0185 -0.0048 155 PRO 38 HD2 -0.0050 -0.0142 0.0003 156 PRO 38 HD3 -0.0057 -0.0174 -0.0001 157 GLY 39 N -0.0041 -0.0082 -0.0089 158 GLY 39 CA -0.0037 -0.0049 -0.0095 159 GLY 39 C -0.0034 -0.0033 -0.0074 160 GLY 39 O -0.0030 -0.0006 -0.0067 161 GLY 39 H -0.0044 -0.0095 -0.0104 162 GLY 39 HA2 -0.0038 -0.0044 -0.0118 163 GLY 39 HA3 -0.0036 -0.0041 -0.0090 164 GLY 40 N -0.0038 -0.0052 -0.0068 165 GLY 40 CA -0.0035 -0.0038 -0.0046 166 GLY 40 C -0.0032 -0.0030 -0.0010 167 GLY 40 O -0.0030 -0.0014 0.0011 168 GLY 40 H -0.0041 -0.0077 -0.0074 169 GLY 40 HA2 -0.0037 -0.0056 -0.0043 170 GLY 40 HA3 -0.0033 -0.0014 -0.0058 171 GLY 41 N -0.0033 -0.0040 -0.0004 172 GLY 41 CA -0.0030 -0.0033 0.0025 173 GLY 41 C -0.0025 0.0002 0.0025 174 GLY 41 O -0.0022 0.0014 0.0049 175 GLY 41 H -0.0036 -0.0053 -0.0020 176 GLY 41 HA2 -0.0032 -0.0048 0.0026 177 GLY 41 HA3 -0.0030 -0.0037 0.0045 178 LEU 42 N -0.0029 0.0013 -0.0003 179 LEU 42 CA -0.0025 0.0048 -0.0007 180 LEU 42 C -0.0024 0.0051 -0.0018 181 LEU 42 O -0.0022 0.0078 -0.0017 182 LEU 42 CB -0.0022 0.0064 -0.0033 183 LEU 42 CG -0.0022 0.0064 -0.0026 184 LEU 42 CD1 -0.0018 0.0081 -0.0054 185 LEU 42 CD2 -0.0024 0.0082 0.0008 186 LEU 42 H -0.0028 0.0002 -0.0024 187 LEU 42 HA -0.0026 0.0061 0.0017 188 LEU 42 HB2 -0.0021 0.0052 -0.0056 189 LEU 42 HB3 -0.0019 0.0090 -0.0035 190 LEU 42 HG -0.0025 0.0039 -0.0025 191 LEU 42 HD11 -0.0019 0.0081 -0.0049 192 LEU 42 HD12 -0.0016 0.0107 -0.0057 193 LEU 42 HD13 -0.0017 0.0068 -0.0077 194 LEU 42 HD21 -0.0021 0.0107 0.0007 195 LEU 42 HD22 -0.0024 0.0081 0.0012 196 LEU 42 HD23 -0.0027 0.0068 0.0028 197 HIS 43 N -0.0025 0.0028 -0.0030 198 HIS 43 CA -0.0025 0.0031 -0.0039 199 HIS 43 C -0.0026 0.0013 -0.0022 200 HIS 43 O -0.0028 -0.0013 -0.0027 201 HIS 43 CB -0.0026 0.0024 -0.0071 202 HIS 43 CG -0.0026 0.0039 -0.0090 203 HIS 43 ND1 -0.0024 0.0066 -0.0101 204 HIS 43 CD2 -0.0026 0.0031 -0.0102 205 HIS 43 CE1 -0.0024 0.0073 -0.0118 206 HIS 43 NE2 -0.0025 0.0053 -0.0119 207 HIS 43 H -0.0027 0.0009 -0.0029 208 HIS 43 HA -0.0023 0.0053 -0.0036 209 HIS 43 HB2 -0.0028 0.0002 -0.0074 210 HIS 43 HB3 -0.0026 0.0029 -0.0076 211 HIS 43 HD1 -0.0023 0.0077 -0.0095 212 HIS 43 HD2 -0.0028 0.0012 -0.0098 213 HIS 43 HE1 -0.0022 0.0093 -0.0129 214 HIS 43 HE2 -0.0025 0.0055 -0.0127 215 ARG 44 N -0.0017 0.0024 -0.0003 216 ARG 44 CA -0.0021 0.0009 0.0012 217 ARG 44 C -0.0018 0.0021 0.0009 218 ARG 44 O -0.0011 0.0046 0.0006 219 ARG 44 CB -0.0020 0.0010 0.0043 220 ARG 44 CG -0.0021 0.0006 0.0052 221 ARG 44 CD -0.0018 0.0011 0.0083 222 ARG 44 NE -0.0018 0.0009 0.0093 223 ARG 44 CZ -0.0017 0.0009 0.0120 224 ARG 44 NH1 -0.0015 0.0012 0.0139 225 ARG 44 NH2 -0.0017 0.0007 0.0127 226 ARG 44 H -0.0011 0.0044 -0.0000 227 ARG 44 HA -0.0028 -0.0012 0.0006 228 ARG 44 HB2 -0.0014 0.0030 0.0050 229 ARG 44 HB3 -0.0024 -0.0005 0.0053 230 ARG 44 HG2 -0.0027 -0.0014 0.0047 231 ARG 44 HG3 -0.0017 0.0020 0.0040 232 ARG 44 HD2 -0.0012 0.0031 0.0087 233 ARG 44 HD3 -0.0022 -0.0004 0.0093 234 ARG 44 HE -0.0019 0.0007 0.0078 235 ARG 44 HH11 -0.0015 0.0014 0.0135 236 ARG 44 HH12 -0.0014 0.0013 0.0160 237 ARG 44 HH21 -0.0019 0.0004 0.0113 238 ARG 44 HH22 -0.0016 0.0007 0.0147 239 CYS 45 N -0.0021 0.0004 0.0010 240 CYS 45 CA -0.0018 0.0012 0.0014 241 CYS 45 C -0.0017 0.0008 0.0039 242 CYS 45 O -0.0022 -0.0011 0.0046 243 CYS 45 CB -0.0023 0.0001 -0.0000 244 CYS 45 SG -0.0020 0.0009 0.0008 245 CYS 45 H -0.0026 -0.0011 0.0009 246 CYS 45 HA -0.0014 0.0029 0.0011 247 CYS 45 HB2 -0.0023 0.0007 -0.0017 248 CYS 45 HB3 -0.0028 -0.0016 0.0000 249 LEU 46 N -0.0011 0.0024 0.0049 250 LEU 46 CA -0.0013 0.0022 0.0073 251 LEU 46 C -0.0019 0.0009 0.0077 252 LEU 46 O -0.0024 -0.0003 0.0093 253 LEU 46 CB -0.0003 0.0044 0.0082 254 LEU 46 CG 0.0003 0.0058 0.0081 255 LEU 46 CD1 0.0012 0.0079 0.0089 256 LEU 46 CD2 -0.0001 0.0049 0.0093 257 LEU 46 H -0.0005 0.0037 0.0041 258 LEU 46 HA -0.0016 0.0015 0.0080 259 LEU 46 HB2 0.0000 0.0051 0.0074 260 LEU 46 HB3 -0.0004 0.0043 0.0100 261 LEU 46 HG 0.0004 0.0059 0.0063 262 LEU 46 HD11 0.0016 0.0086 0.0079 263 LEU 46 HD12 0.0017 0.0089 0.0088 264 LEU 46 HD13 0.0012 0.0078 0.0107 265 LEU 46 HD21 -0.0008 0.0034 0.0086 266 LEU 46 HD22 -0.0003 0.0047 0.0111 267 LEU 46 HD23 0.0003 0.0059 0.0092 268 ALA 47 N -0.0012 0.0013 0.0052 269 ALA 47 CA -0.0016 0.0005 0.0052 270 ALA 47 C -0.0028 -0.0016 0.0049 271 ALA 47 O -0.0032 -0.0026 0.0053 272 ALA 47 CB -0.0014 0.0015 0.0035 273 ALA 47 H -0.0009 0.0022 0.0041 274 ALA 47 HA -0.0013 0.0007 0.0067 275 ALA 47 HB1 -0.0016 0.0010 0.0036 276 ALA 47 HB2 -0.0017 0.0013 0.0020 277 ALA 47 HB3 -0.0006 0.0030 0.0038 278 CYS 48 N -0.0025 -0.0026 0.0055 279 CYS 48 CA -0.0032 -0.0049 0.0051 280 CYS 48 C -0.0034 -0.0060 0.0061 281 CYS 48 O -0.0039 -0.0080 0.0062 282 CYS 48 CB -0.0036 -0.0053 0.0025 283 CYS 48 SG -0.0035 -0.0046 0.0014 284 CYS 48 H -0.0023 -0.0015 0.0050 285 CYS 48 HA -0.0033 -0.0056 0.0059 286 CYS 48 HB2 -0.0035 -0.0044 0.0014 287 CYS 48 HB3 -0.0041 -0.0071 0.0023 288 ALA 49 N -0.0031 -0.0052 0.0075 289 ALA 49 CA -0.0032 -0.0061 0.0088 290 ALA 49 C -0.0039 -0.0076 0.0071 291 ALA 49 O -0.0042 -0.0090 0.0079 292 ALA 49 CB -0.0034 -0.0074 0.0112 293 ALA 49 H -0.0025 -0.0035 0.0074 294 ALA 49 HA -0.0027 -0.0045 0.0093 295 ALA 49 HB1 -0.0040 -0.0090 0.0108 296 ALA 49 HB2 -0.0030 -0.0063 0.0124 297 ALA 49 HB3 -0.0035 -0.0080 0.0122 298 ARG 50 N -0.0035 -0.0071 0.0047 299 ARG 50 CA -0.0040 -0.0084 0.0029 300 ARG 50 C -0.0038 -0.0070 0.0017 301 ARG 50 O -0.0033 -0.0050 0.0014 302 ARG 50 CB -0.0044 -0.0092 0.0012 303 ARG 50 CG -0.0047 -0.0107 0.0022 304 ARG 50 CD -0.0051 -0.0114 0.0003 305 ARG 50 NE -0.0053 -0.0129 0.0013 306 ARG 50 CZ -0.0057 -0.0136 0.0001 307 ARG 50 NH1 -0.0058 -0.0131 -0.0021 308 ARG 50 NH2 -0.0059 -0.0149 0.0011 309 ARG 50 H -0.0032 -0.0059 0.0043 310 ARG 50 HA -0.0043 -0.0098 0.0037 311 ARG 50 HB2 -0.0041 -0.0077 0.0004 312 ARG 50 HB3 -0.0048 -0.0100 -0.0002 313 ARG 50 HG2 -0.0050 -0.0122 0.0029 314 ARG 50 HG3 -0.0043 -0.0099 0.0035 315 ARG 50 HD2 -0.0048 -0.0100 -0.0004 316 ARG 50 HD3 -0.0055 -0.0123 -0.0010 317 ARG 50 HE -0.0053 -0.0133 0.0029 318 ARG 50 HH11 -0.0056 -0.0122 -0.0030 319 ARG 50 HH12 -0.0060 -0.0136 -0.0031 320 ARG 50 HH21 -0.0058 -0.0154 0.0027 321 ARG 50 HH22 -0.0061 -0.0154 0.0002 322 TYR 51 N -0.0041 -0.0091 0.0013 323 TYR 51 CA -0.0040 -0.0079 -0.0001 324 TYR 51 C -0.0044 -0.0085 -0.0033 325 TYR 51 O -0.0050 -0.0110 -0.0041 326 TYR 51 CB -0.0041 -0.0092 0.0012 327 TYR 51 CG -0.0037 -0.0088 0.0045 328 TYR 51 CD1 -0.0040 -0.0109 0.0064 329 TYR 51 CD2 -0.0031 -0.0065 0.0056 330 TYR 51 CE1 -0.0036 -0.0106 0.0093 331 TYR 51 CE2 -0.0028 -0.0062 0.0086 332 TYR 51 CZ -0.0030 -0.0082 0.0104 333 TYR 51 OH -0.0027 -0.0080 0.0134 334 TYR 51 H -0.0045 -0.0112 0.0016 335 TYR 51 HA -0.0035 -0.0056 0.0002 336 TYR 51 HB2 -0.0046 -0.0114 0.0007 337 TYR 51 HB3 -0.0040 -0.0082 0.0001 338 TYR 51 HD1 -0.0044 -0.0127 0.0055 339 TYR 51 HD2 -0.0030 -0.0048 0.0042 340 TYR 51 HE1 -0.0038 -0.0122 0.0108 341 TYR 51 HE2 -0.0023 -0.0043 0.0095 342 TYR 51 HH -0.0030 -0.0098 0.0142 343 PHE 52 N -0.0034 -0.0062 -0.0051 344 PHE 52 CA -0.0038 -0.0065 -0.0077 345 PHE 52 C -0.0039 -0.0059 -0.0092 346 PHE 52 O -0.0037 -0.0044 -0.0085 347 PHE 52 CB -0.0037 -0.0047 -0.0085 348 PHE 52 CG -0.0036 -0.0051 -0.0072 349 PHE 52 CD1 -0.0032 -0.0041 -0.0049 350 PHE 52 CD2 -0.0038 -0.0065 -0.0082 351 PHE 52 CE1 -0.0031 -0.0045 -0.0037 352 PHE 52 CE2 -0.0037 -0.0069 -0.0070 353 PHE 52 CZ -0.0034 -0.0058 -0.0047 354 PHE 52 H -0.0032 -0.0045 -0.0045 355 PHE 52 HA -0.0040 -0.0083 -0.0080 356 PHE 52 HB2 -0.0035 -0.0028 -0.0082 357 PHE 52 HB3 -0.0040 -0.0049 -0.0105 358 PHE 52 HD1 -0.0031 -0.0030 -0.0041 359 PHE 52 HD2 -0.0041 -0.0073 -0.0100 360 PHE 52 HE1 -0.0029 -0.0037 -0.0019 361 PHE 52 HE2 -0.0039 -0.0079 -0.0078 362 PHE 52 HZ -0.0033 -0.0061 -0.0037 363 ILE 53 N -0.0039 -0.0079 -0.0115 364 ILE 53 CA -0.0039 -0.0075 -0.0134 365 ILE 53 C -0.0037 -0.0045 -0.0147 366 ILE 53 O -0.0037 -0.0033 -0.0152 367 ILE 53 CB -0.0040 -0.0097 -0.0158 368 ILE 53 CG1 -0.0041 -0.0096 -0.0176 369 ILE 53 CG2 -0.0042 -0.0127 -0.0146 370 ILE 53 CD1 -0.0042 -0.0116 -0.0201 371 ILE 53 H -0.0040 -0.0094 -0.0121 372 ILE 53 HA -0.0039 -0.0078 -0.0121 373 ILE 53 HB -0.0040 -0.0091 -0.0172 374 ILE 53 HG12 -0.0041 -0.0101 -0.0162 375 ILE 53 HG13 -0.0040 -0.0075 -0.0184 376 ILE 53 HG21 -0.0042 -0.0132 -0.0131 377 ILE 53 HG22 -0.0042 -0.0127 -0.0135 378 ILE 53 HG23 -0.0043 -0.0142 -0.0163 379 ILE 53 HD11 -0.0042 -0.0111 -0.0215 380 ILE 53 HD12 -0.0042 -0.0115 -0.0211 381 ILE 53 HD13 -0.0043 -0.0138 -0.0193 382 ASP 54 N -0.0032 -0.0029 -0.0150 383 ASP 54 CA -0.0031 -0.0003 -0.0163 384 ASP 54 C -0.0031 0.0013 -0.0152 385 ASP 54 O -0.0031 0.0000 -0.0142 386 ASP 54 CB -0.0032 -0.0007 -0.0194 387 ASP 54 CG -0.0031 0.0019 -0.0210 388 ASP 54 OD1 -0.0031 0.0030 -0.0216 389 ASP 54 OD2 -0.0031 0.0029 -0.0217 390 ASP 54 H -0.0032 -0.0038 -0.0144 391 ASP 54 HA -0.0031 0.0008 -0.0159 392 ASP 54 HB2 -0.0032 -0.0019 -0.0202 393 ASP 54 HB3 -0.0032 -0.0018 -0.0198 394 SER 55 N -0.0026 0.0039 -0.0152 395 SER 55 CA -0.0027 0.0056 -0.0141 396 SER 55 C -0.0027 0.0050 -0.0154 397 SER 55 O -0.0027 0.0052 -0.0141 398 SER 55 CB -0.0027 0.0084 -0.0145 399 SER 55 OG -0.0028 0.0101 -0.0136 400 SER 55 H -0.0026 0.0048 -0.0161 401 SER 55 HA -0.0027 0.0052 -0.0121 402 SER 55 HB2 -0.0027 0.0087 -0.0134 403 SER 55 HB3 -0.0027 0.0088 -0.0165 404 SER 55 HG -0.0028 0.0105 -0.0150 405 THR 56 N -0.0030 0.0040 -0.0175 406 THR 56 CA -0.0029 0.0035 -0.0186 407 THR 56 C -0.0028 0.0013 -0.0174 408 THR 56 O -0.0027 0.0013 -0.0170 409 THR 56 CB -0.0029 0.0030 -0.0213 410 THR 56 OG1 -0.0031 0.0049 -0.0223 411 THR 56 CG2 -0.0029 0.0028 -0.0226 412 THR 56 H -0.0030 0.0039 -0.0185 413 THR 56 HA -0.0031 0.0050 -0.0184 414 THR 56 HB -0.0028 0.0014 -0.0214 415 THR 56 HG1 -0.0031 0.0046 -0.0220 416 THR 56 HG21 -0.0029 0.0024 -0.0245 417 THR 56 HG22 -0.0030 0.0044 -0.0224 418 THR 56 HG23 -0.0028 0.0013 -0.0218 419 ASN 57 N -0.0033 -0.0002 -0.0172 420 ASN 57 CA -0.0033 -0.0024 -0.0160 421 ASN 57 C -0.0030 -0.0017 -0.0133 422 ASN 57 O -0.0030 -0.0026 -0.0125 423 ASN 57 CB -0.0033 -0.0047 -0.0158 424 ASN 57 CG -0.0035 -0.0063 -0.0183 425 ASN 57 OD1 -0.0036 -0.0083 -0.0186 426 ASN 57 ND2 -0.0037 -0.0056 -0.0200 427 ASN 57 H -0.0034 -0.0002 -0.0174 428 ASN 57 HA -0.0034 -0.0030 -0.0172 429 ASN 57 HB2 -0.0033 -0.0039 -0.0154 430 ASN 57 HB3 -0.0032 -0.0060 -0.0141 431 ASN 57 HD21 -0.0036 -0.0041 -0.0197 432 ASN 57 HD22 -0.0038 -0.0067 -0.0216 433 LEU 58 N -0.0030 -0.0001 -0.0121 434 LEU 58 CA -0.0028 0.0007 -0.0099 435 LEU 58 C -0.0027 0.0022 -0.0102 436 LEU 58 O -0.0027 0.0018 -0.0090 437 LEU 58 CB -0.0026 0.0020 -0.0086 438 LEU 58 CG -0.0024 0.0033 -0.0064 439 LEU 58 CD1 -0.0023 0.0056 -0.0068 440 LEU 58 CD2 -0.0024 0.0018 -0.0048 441 LEU 58 H -0.0030 0.0005 -0.0127 442 LEU 58 HA -0.0028 -0.0008 -0.0089 443 LEU 58 HB2 -0.0027 0.0007 -0.0083 444 LEU 58 HB3 -0.0026 0.0032 -0.0099 445 LEU 58 HG -0.0024 0.0036 -0.0054 446 LEU 58 HD11 -0.0022 0.0065 -0.0052 447 LEU 58 HD12 -0.0024 0.0055 -0.0078 448 LEU 58 HD13 -0.0023 0.0067 -0.0078 449 LEU 58 HD21 -0.0025 0.0016 -0.0056 450 LEU 58 HD22 -0.0023 0.0028 -0.0032 451 LEU 58 HD23 -0.0025 0.0002 -0.0044 452 LYS 59 N -0.0025 0.0041 -0.0111 453 LYS 59 CA -0.0025 0.0050 -0.0112 454 LYS 59 C -0.0023 0.0036 -0.0118 455 LYS 59 O -0.0024 0.0038 -0.0112 456 LYS 59 CB -0.0025 0.0068 -0.0124 457 LYS 59 CG -0.0022 0.0065 -0.0144 458 LYS 59 CD -0.0022 0.0083 -0.0155 459 LYS 59 CE -0.0022 0.0093 -0.0156 460 LYS 59 NZ -0.0020 0.0083 -0.0167 461 LYS 59 H -0.0024 0.0045 -0.0119 462 LYS 59 HA -0.0027 0.0054 -0.0098 463 LYS 59 HB2 -0.0025 0.0074 -0.0124 464 LYS 59 HB3 -0.0026 0.0077 -0.0119 465 LYS 59 HG2 -0.0021 0.0057 -0.0145 466 LYS 59 HG3 -0.0021 0.0056 -0.0150 467 LYS 59 HD2 -0.0023 0.0091 -0.0148 468 LYS 59 HD3 -0.0020 0.0080 -0.0169 469 LYS 59 HE2 -0.0024 0.0096 -0.0142 470 LYS 59 HE3 -0.0023 0.0106 -0.0163 471 LYS 59 HZ1 -0.0019 0.0081 -0.0180 472 LYS 59 HZ2 -0.0021 0.0090 -0.0167 473 LYS 59 HZ3 -0.0020 0.0070 -0.0161 474 THR 60 N -0.0030 0.0022 -0.0134 475 THR 60 CA -0.0030 0.0009 -0.0142 476 THR 60 C -0.0028 -0.0003 -0.0123 477 THR 60 O -0.0028 -0.0008 -0.0122 478 THR 60 CB -0.0031 -0.0007 -0.0160 479 THR 60 OG1 -0.0033 0.0005 -0.0178 480 THR 60 CG2 -0.0032 -0.0021 -0.0168 481 THR 60 H -0.0030 0.0019 -0.0140 482 THR 60 HA -0.0031 0.0020 -0.0148 483 THR 60 HB -0.0030 -0.0017 -0.0153 484 THR 60 HG1 -0.0033 0.0011 -0.0174 485 THR 60 HG21 -0.0033 -0.0032 -0.0180 486 THR 60 HG22 -0.0033 -0.0011 -0.0175 487 THR 60 HG23 -0.0030 -0.0030 -0.0155 488 HIS 61 N -0.0031 -0.0007 -0.0110 489 HIS 61 CA -0.0031 -0.0016 -0.0094 490 HIS 61 C -0.0029 -0.0005 -0.0084 491 HIS 61 O -0.0030 -0.0012 -0.0076 492 HIS 61 CB -0.0031 -0.0021 -0.0080 493 HIS 61 CG -0.0031 -0.0025 -0.0060 494 HIS 61 ND1 -0.0032 -0.0040 -0.0055 495 HIS 61 CD2 -0.0028 -0.0014 -0.0045 496 HIS 61 CE1 -0.0031 -0.0038 -0.0037 497 HIS 61 NE2 -0.0029 -0.0023 -0.0031 498 HIS 61 H -0.0030 -0.0003 -0.0109 499 HIS 61 HA -0.0033 -0.0028 -0.0099 500 HIS 61 HB2 -0.0033 -0.0034 -0.0084 501 HIS 61 HB3 -0.0030 -0.0010 -0.0079 502 HIS 61 HD1 -0.0034 -0.0051 -0.0062 503 HIS 61 HD2 -0.0026 -0.0001 -0.0044 504 HIS 61 HE1 -0.0032 -0.0046 -0.0027 505 PHE 62 N -0.0025 0.0020 -0.0078 506 PHE 62 CA -0.0024 0.0031 -0.0068 507 PHE 62 C -0.0025 0.0034 -0.0078 508 PHE 62 O -0.0024 0.0043 -0.0073 509 PHE 62 CB -0.0022 0.0049 -0.0063 510 PHE 62 CG -0.0022 0.0049 -0.0054 511 PHE 62 CD1 -0.0021 0.0039 -0.0039 512 PHE 62 CD2 -0.0022 0.0058 -0.0061 513 PHE 62 CE1 -0.0020 0.0038 -0.0031 514 PHE 62 CE2 -0.0021 0.0058 -0.0053 515 PHE 62 CZ -0.0020 0.0048 -0.0038 516 PHE 62 H -0.0026 0.0026 -0.0085 517 PHE 62 HA -0.0023 0.0024 -0.0056 518 PHE 62 HB2 -0.0023 0.0058 -0.0074 519 PHE 62 HB3 -0.0021 0.0054 -0.0053 520 PHE 62 HD1 -0.0021 0.0031 -0.0033 521 PHE 62 HD2 -0.0022 0.0066 -0.0073 522 PHE 62 HE1 -0.0019 0.0030 -0.0019 523 PHE 62 HE2 -0.0021 0.0066 -0.0059 524 PHE 62 HZ -0.0020 0.0048 -0.0033 525 ARG 63 N -0.0026 0.0026 -0.0083 526 ARG 63 CA -0.0027 0.0028 -0.0094 527 ARG 63 C -0.0026 0.0016 -0.0083 528 ARG 63 O -0.0027 0.0015 -0.0090 529 ARG 63 CB -0.0030 0.0022 -0.0117 530 ARG 63 CG -0.0032 0.0036 -0.0130 531 ARG 63 CD -0.0034 0.0029 -0.0152 532 ARG 63 NE -0.0035 0.0028 -0.0163 533 ARG 63 CZ -0.0038 0.0026 -0.0183 534 ARG 63 NH1 -0.0039 0.0025 -0.0197 535 ARG 63 NH2 -0.0039 0.0024 -0.0191 536 ARG 63 H -0.0026 0.0017 -0.0089 537 ARG 63 HA -0.0028 0.0045 -0.0093 538 ARG 63 HB2 -0.0030 0.0006 -0.0118 539 ARG 63 HB3 -0.0031 0.0022 -0.0124 540 ARG 63 HG2 -0.0032 0.0052 -0.0129 541 ARG 63 HG3 -0.0031 0.0037 -0.0123 542 ARG 63 HD2 -0.0036 0.0041 -0.0161 543 ARG 63 HD3 -0.0034 0.0014 -0.0153 544 ARG 63 HE -0.0034 0.0029 -0.0153 545 ARG 63 HH11 -0.0039 0.0027 -0.0192 546 ARG 63 HH12 -0.0041 0.0023 -0.0212 547 ARG 63 HH21 -0.0038 0.0025 -0.0181 548 ARG 63 HH22 -0.0040 0.0022 -0.0206 549 SER 64 N -0.0031 0.0019 -0.0079 550 SER 64 CA -0.0029 0.0014 -0.0071 551 SER 64 C -0.0026 0.0027 -0.0062 552 SER 64 O -0.0022 0.0031 -0.0052 553 SER 64 CB -0.0026 0.0001 -0.0061 554 SER 64 OG -0.0029 -0.0010 -0.0068 555 SER 64 H -0.0030 0.0017 -0.0076 556 SER 64 HA -0.0031 0.0010 -0.0077 557 SER 64 HB2 -0.0024 0.0006 -0.0053 558 SER 64 HB3 -0.0025 -0.0003 -0.0056 559 SER 64 HG -0.0030 -0.0015 -0.0074 560 LYS 65 N -0.0027 0.0039 -0.0057 561 LYS 65 CA -0.0024 0.0048 -0.0053 562 LYS 65 C -0.0020 0.0047 -0.0042 563 LYS 65 O -0.0017 0.0053 -0.0037 564 LYS 65 CB -0.0026 0.0055 -0.0059 565 LYS 65 CG -0.0028 0.0049 -0.0062 566 LYS 65 CD -0.0025 0.0046 -0.0053 567 LYS 65 CE -0.0027 0.0041 -0.0057 568 LYS 65 NZ -0.0024 0.0036 -0.0049 569 LYS 65 H -0.0030 0.0037 -0.0063 570 LYS 65 HA -0.0024 0.0053 -0.0053 571 LYS 65 HB2 -0.0024 0.0061 -0.0054 572 LYS 65 HB3 -0.0029 0.0058 -0.0065 573 LYS 65 HG2 -0.0029 0.0055 -0.0066 574 LYS 65 HG3 -0.0030 0.0043 -0.0066 575 LYS 65 HD2 -0.0023 0.0041 -0.0049 576 LYS 65 HD3 -0.0022 0.0052 -0.0050 577 LYS 65 HE2 -0.0028 0.0046 -0.0061 578 LYS 65 HE3 -0.0029 0.0034 -0.0061 579 LYS 65 HZ1 -0.0021 0.0042 -0.0045 580 LYS 65 HZ2 -0.0023 0.0031 -0.0045 581 LYS 65 HZ3 -0.0025 0.0033 -0.0052 582 ASP 66 N -0.0020 0.0037 -0.0043 583 ASP 66 CA -0.0017 0.0034 -0.0033 584 ASP 66 C -0.0015 0.0033 -0.0027 585 ASP 66 O -0.0011 0.0035 -0.0019 586 ASP 66 CB -0.0018 0.0025 -0.0033 587 ASP 66 CG -0.0015 0.0024 -0.0024 588 ASP 66 OD1 -0.0014 0.0027 -0.0024 589 ASP 66 OD2 -0.0013 0.0019 -0.0018 590 ASP 66 H -0.0023 0.0032 -0.0047 591 ASP 66 HA -0.0016 0.0040 -0.0032 592 ASP 66 HB2 -0.0020 0.0026 -0.0039 593 ASP 66 HB3 -0.0019 0.0019 -0.0034 594 HIS 67 N -0.0021 0.0026 -0.0033 595 HIS 67 CA -0.0018 0.0024 -0.0024 596 HIS 67 C -0.0013 0.0036 -0.0020 597 HIS 67 O -0.0008 0.0037 -0.0009 598 HIS 67 CB -0.0022 0.0018 -0.0029 599 HIS 67 CG -0.0020 0.0015 -0.0021 600 HIS 67 ND1 -0.0016 0.0011 -0.0009 601 HIS 67 CD2 -0.0022 0.0012 -0.0024 602 HIS 67 CE1 -0.0017 0.0005 -0.0006 603 HIS 67 NE2 -0.0020 0.0005 -0.0014 604 HIS 67 H -0.0024 0.0024 -0.0041 605 HIS 67 HA -0.0017 0.0018 -0.0016 606 HIS 67 HB2 -0.0025 0.0009 -0.0032 607 HIS 67 HB3 -0.0023 0.0024 -0.0037 608 HIS 67 HD1 -0.0014 0.0012 -0.0004 609 HIS 67 HD2 -0.0024 0.0016 -0.0033 610 HIS 67 HE1 -0.0015 0.0000 0.0003 611 LYS 68 N -0.0014 0.0047 -0.0027 612 LYS 68 CA -0.0012 0.0058 -0.0025 613 LYS 68 C -0.0009 0.0064 -0.0018 614 LYS 68 O -0.0007 0.0070 -0.0013 615 LYS 68 CB -0.0015 0.0063 -0.0035 616 LYS 68 CG -0.0018 0.0056 -0.0042 617 LYS 68 CD -0.0021 0.0062 -0.0052 618 LYS 68 CE -0.0023 0.0064 -0.0057 619 LYS 68 NZ -0.0026 0.0069 -0.0067 620 LYS 68 H -0.0016 0.0046 -0.0034 621 LYS 68 HA -0.0011 0.0056 -0.0021 622 LYS 68 HB2 -0.0016 0.0065 -0.0039 623 LYS 68 HB3 -0.0014 0.0071 -0.0034 624 LYS 68 HG2 -0.0017 0.0054 -0.0039 625 LYS 68 HG3 -0.0019 0.0049 -0.0044 626 LYS 68 HD2 -0.0020 0.0070 -0.0051 627 LYS 68 HD3 -0.0023 0.0058 -0.0057 628 LYS 68 HE2 -0.0024 0.0057 -0.0058 629 LYS 68 HE3 -0.0021 0.0069 -0.0053 630 LYS 68 HZ1 -0.0025 0.0077 -0.0067 631 LYS 68 HZ2 -0.0027 0.0070 -0.0071 632 LYS 68 HZ3 -0.0028 0.0064 -0.0072 633 LYS 69 N -0.0010 0.0058 -0.0022 634 LYS 69 CA -0.0007 0.0062 -0.0017 635 LYS 69 C -0.0004 0.0058 -0.0007 636 LYS 69 O -0.0000 0.0063 -0.0002 637 LYS 69 CB -0.0009 0.0058 -0.0020 638 LYS 69 CG -0.0007 0.0058 -0.0015 639 LYS 69 CD -0.0010 0.0053 -0.0020 640 LYS 69 CE -0.0008 0.0052 -0.0015 641 LYS 69 NZ -0.0011 0.0047 -0.0020 642 LYS 69 H -0.0012 0.0055 -0.0026 643 LYS 69 HA -0.0006 0.0069 -0.0017 644 LYS 69 HB2 -0.0011 0.0062 -0.0026 645 LYS 69 HB3 -0.0011 0.0051 -0.0022 646 LYS 69 HG2 -0.0005 0.0055 -0.0009 647 LYS 69 HG3 -0.0005 0.0065 -0.0014 648 LYS 69 HD2 -0.0012 0.0057 -0.0026 649 LYS 69 HD3 -0.0011 0.0047 -0.0021 650 LYS 69 HE2 -0.0006 0.0049 -0.0009 651 LYS 69 HE3 -0.0007 0.0059 -0.0015 652 LYS 69 HZ1 -0.0010 0.0046 -0.0017 653 LYS 69 HZ2 -0.0013 0.0040 -0.0021 654 LYS 69 HZ3 -0.0013 0.0050 -0.0026 655 ARG 70 N -0.0005 0.0048 -0.0006 656 ARG 70 CA -0.0002 0.0044 0.0003 657 ARG 70 C 0.0002 0.0048 0.0008 658 ARG 70 O 0.0006 0.0049 0.0016 659 ARG 70 CB -0.0004 0.0034 0.0004 660 ARG 70 CG -0.0001 0.0029 0.0013 661 ARG 70 CD 0.0001 0.0032 0.0017 662 ARG 70 NE 0.0004 0.0028 0.0026 663 ARG 70 CZ 0.0009 0.0032 0.0032 664 ARG 70 NH1 0.0010 0.0040 0.0030 665 ARG 70 NH2 0.0011 0.0028 0.0040 666 ARG 70 H -0.0008 0.0044 -0.0010 667 ARG 70 HA 0.0000 0.0047 0.0006 668 ARG 70 HB2 -0.0007 0.0032 0.0000 669 ARG 70 HB3 -0.0006 0.0032 0.0002 670 ARG 70 HG2 -0.0004 0.0022 0.0013 671 ARG 70 HG3 0.0001 0.0031 0.0017 672 ARG 70 HD2 0.0004 0.0040 0.0017 673 ARG 70 HD3 -0.0001 0.0030 0.0013 674 ARG 70 HE 0.0003 0.0022 0.0028 675 ARG 70 HH11 0.0008 0.0044 0.0024 676 ARG 70 HH12 0.0013 0.0043 0.0034 677 ARG 70 HH21 0.0010 0.0022 0.0041 678 ARG 70 HH22 0.0014 0.0031 0.0044 679 LEU 71 N -0.0000 0.0050 0.0002 680 LEU 71 CA 0.0003 0.0054 0.0006 681 LEU 71 C 0.0007 0.0064 0.0009 682 LEU 71 O 0.0011 0.0067 0.0016 683 LEU 71 CB 0.0000 0.0054 -0.0001 684 LEU 71 CG -0.0004 0.0045 -0.0004 685 LEU 71 CD1 -0.0006 0.0046 -0.0010 686 LEU 71 CD2 -0.0004 0.0038 0.0005 687 LEU 71 H -0.0003 0.0049 -0.0004 688 LEU 71 HA 0.0003 0.0049 0.0013 689 LEU 71 HB2 -0.0001 0.0059 -0.0007 690 LEU 71 HB3 0.0002 0.0058 0.0003 691 LEU 71 HG -0.0007 0.0042 -0.0008 692 LEU 71 HD11 -0.0004 0.0049 -0.0006 693 LEU 71 HD12 -0.0007 0.0051 -0.0016 694 LEU 71 HD13 -0.0009 0.0040 -0.0012 695 LEU 71 HD21 -0.0003 0.0036 0.0009 696 LEU 71 HD22 -0.0001 0.0040 0.0009 697 LEU 71 HD23 -0.0007 0.0031 0.0002 698 LYS 72 N 0.0003 0.0068 0.0001 699 LYS 72 CA 0.0006 0.0075 0.0002 700 LYS 72 C 0.0008 0.0075 0.0009 701 LYS 72 O 0.0011 0.0080 0.0014 702 LYS 72 CB 0.0004 0.0078 -0.0004 703 LYS 72 CG 0.0007 0.0086 -0.0004 704 LYS 72 CD 0.0005 0.0089 -0.0011 705 LYS 72 CE 0.0008 0.0097 -0.0010 706 LYS 72 NZ 0.0006 0.0100 -0.0017 707 LYS 72 H 0.0001 0.0066 -0.0003 708 LYS 72 HA 0.0007 0.0079 0.0003 709 LYS 72 HB2 0.0003 0.0079 -0.0009 710 LYS 72 HB3 0.0003 0.0075 -0.0005 711 LYS 72 HG2 0.0008 0.0086 0.0001 712 LYS 72 HG3 0.0008 0.0090 -0.0003 713 LYS 72 HD2 0.0004 0.0089 -0.0015 714 LYS 72 HD3 0.0004 0.0085 -0.0011 715 LYS 72 HE2 0.0009 0.0097 -0.0006 716 LYS 72 HE3 0.0009 0.0100 -0.0009 717 LYS 72 HZ1 0.0005 0.0096 -0.0018 718 LYS 72 HZ2 0.0005 0.0100 -0.0021 719 LYS 72 HZ3 0.0008 0.0105 -0.0016 720 GLN 73 N 0.0011 0.0070 0.0013 721 GLN 73 CA 0.0014 0.0069 0.0021 722 GLN 73 C 0.0017 0.0066 0.0028 723 GLN 73 O 0.0021 0.0069 0.0035 724 GLN 73 CB 0.0012 0.0063 0.0020 725 GLN 73 CG 0.0009 0.0066 0.0012 726 GLN 73 CD 0.0007 0.0059 0.0011 727 GLN 73 OE1 0.0006 0.0051 0.0013 728 GLN 73 NE2 0.0006 0.0062 0.0008 729 GLN 73 H 0.0007 0.0066 0.0009 730 GLN 73 HA 0.0016 0.0076 0.0021 731 GLN 73 HB2 0.0010 0.0056 0.0019 732 GLN 73 HB3 0.0015 0.0062 0.0025 733 GLN 73 HG2 0.0011 0.0072 0.0013 734 GLN 73 HG3 0.0006 0.0067 0.0007 735 GLN 73 HE21 0.0007 0.0069 0.0007 736 GLN 73 HE22 0.0005 0.0058 0.0007 737 LEU 74 N 0.0016 0.0060 0.0028 738 LEU 74 CA 0.0018 0.0056 0.0035 739 LEU 74 C 0.0021 0.0061 0.0038 740 LEU 74 O 0.0025 0.0059 0.0044 741 LEU 74 CB 0.0014 0.0046 0.0034 742 LEU 74 CG 0.0016 0.0040 0.0042 743 LEU 74 CD1 0.0019 0.0039 0.0049 744 LEU 74 CD2 0.0011 0.0031 0.0039 745 LEU 74 H 0.0012 0.0058 0.0023 746 LEU 74 HA 0.0021 0.0055 0.0040 747 LEU 74 HB2 0.0011 0.0043 0.0032 748 LEU 74 HB3 0.0012 0.0048 0.0029 749 LEU 74 HG 0.0018 0.0043 0.0043 750 LEU 74 HD11 0.0020 0.0034 0.0054 751 LEU 74 HD12 0.0017 0.0036 0.0047 752 LEU 74 HD13 0.0023 0.0045 0.0051 753 LEU 74 HD21 0.0009 0.0028 0.0037 754 LEU 74 HD22 0.0013 0.0027 0.0045 755 LEU 74 HD23 0.0009 0.0033 0.0034 756 SER 75 N 0.0019 0.0067 0.0030 757 SER 75 CA 0.0021 0.0073 0.0031 758 SER 75 C 0.0019 0.0068 0.0030 759 SER 75 O 0.0021 0.0070 0.0032 760 SER 75 CB 0.0027 0.0077 0.0039 761 SER 75 OG 0.0029 0.0083 0.0040 762 SER 75 H 0.0016 0.0068 0.0026 763 SER 75 HA 0.0019 0.0079 0.0026 764 SER 75 HB2 0.0029 0.0081 0.0040 765 SER 75 HB3 0.0029 0.0071 0.0044 766 SER 75 HG 0.0032 0.0089 0.0042 767 VAL 76 N 0.0018 0.0061 0.0029 768 VAL 76 CA 0.0015 0.0057 0.0028 769 VAL 76 C 0.0016 0.0062 0.0023 770 VAL 76 O 0.0018 0.0064 0.0026 771 VAL 76 CB 0.0010 0.0049 0.0024 772 VAL 76 CG1 0.0008 0.0045 0.0023 773 VAL 76 CG2 0.0010 0.0043 0.0029 774 VAL 76 H 0.0016 0.0059 0.0026 775 VAL 76 HA 0.0018 0.0055 0.0034 776 VAL 76 HB 0.0008 0.0051 0.0018 777 VAL 76 HG11 0.0004 0.0040 0.0021 778 VAL 76 HG12 0.0010 0.0043 0.0029 779 VAL 76 HG13 0.0008 0.0049 0.0020 780 VAL 76 HG21 0.0006 0.0038 0.0026 781 VAL 76 HG22 0.0011 0.0046 0.0029 782 VAL 76 HG23 0.0012 0.0041 0.0035 783 GLU 77 N 0.0003 0.0072 0.0006 784 GLU 77 CA 0.0003 0.0078 0.0000 785 GLU 77 C 0.0003 0.0083 -0.0003 786 GLU 77 O 0.0001 0.0080 -0.0009 787 GLU 77 CB 0.0000 0.0075 -0.0006 788 GLU 77 CG -0.0002 0.0068 -0.0010 789 GLU 77 CD -0.0005 0.0066 -0.0016 790 GLU 77 OE1 -0.0005 0.0062 -0.0014 791 GLU 77 OE2 -0.0006 0.0067 -0.0023 792 GLU 77 H 0.0002 0.0070 0.0004 793 GLU 77 HA 0.0004 0.0082 0.0004 794 GLU 77 HB2 0.0000 0.0080 -0.0010 795 GLU 77 HB3 0.0000 0.0073 -0.0003 796 GLU 77 HG2 -0.0003 0.0063 -0.0006 797 GLU 77 HG3 -0.0003 0.0070 -0.0013 798 PRO 78 N 0.0003 0.0083 -0.0000 799 PRO 78 CA 0.0003 0.0091 -0.0004 800 PRO 78 C -0.0001 0.0095 -0.0013 801 PRO 78 O -0.0001 0.0097 -0.0014 802 PRO 78 CB 0.0007 0.0099 0.0003 803 PRO 78 CG 0.0010 0.0093 0.0011 804 PRO 78 CD 0.0007 0.0085 0.0008 805 PRO 78 HA 0.0002 0.0089 -0.0004 806 PRO 78 HB2 0.0007 0.0104 0.0000 807 PRO 78 HB3 0.0009 0.0102 0.0005 808 PRO 78 HG2 0.0013 0.0098 0.0015 809 PRO 78 HG3 0.0012 0.0090 0.0016 810 PRO 78 HD2 0.0007 0.0087 0.0006 811 PRO 78 HD3 0.0009 0.0079 0.0013 812 TYR 79 N -0.0006 0.0088 -0.0024 813 TYR 79 CA -0.0011 0.0090 -0.0033 814 TYR 79 C -0.0014 0.0082 -0.0037 815 TYR 79 O -0.0014 0.0081 -0.0038 816 TYR 79 CB -0.0012 0.0099 -0.0034 817 TYR 79 CG -0.0010 0.0108 -0.0030 818 TYR 79 CD1 -0.0005 0.0111 -0.0023 819 TYR 79 CD2 -0.0013 0.0113 -0.0035 820 TYR 79 CE1 -0.0004 0.0118 -0.0020 821 TYR 79 CE2 -0.0011 0.0121 -0.0032 822 TYR 79 CZ -0.0006 0.0123 -0.0024 823 TYR 79 OH -0.0005 0.0131 -0.0021 824 TYR 79 H -0.0005 0.0088 -0.0022 825 TYR 79 HA -0.0012 0.0091 -0.0035 826 TYR 79 HB2 -0.0010 0.0099 -0.0031 827 TYR 79 HB3 -0.0016 0.0100 -0.0040 828 TYR 79 HD1 -0.0003 0.0107 -0.0019 829 TYR 79 HD2 -0.0016 0.0111 -0.0041 830 TYR 79 HE1 0.0000 0.0120 -0.0014 831 TYR 79 HE2 -0.0013 0.0125 -0.0035 832 TYR 79 HH -0.0005 0.0130 -0.0022 833 SER 80 N -0.0023 0.0092 -0.0044 834 SER 80 CA -0.0024 0.0086 -0.0048 835 SER 80 C -0.0027 0.0087 -0.0055 836 SER 80 O -0.0028 0.0092 -0.0057 837 SER 80 CB -0.0023 0.0079 -0.0045 838 SER 80 OG -0.0024 0.0073 -0.0048 839 SER 80 H -0.0023 0.0092 -0.0044 840 SER 80 HA -0.0024 0.0085 -0.0047 841 SER 80 HB2 -0.0021 0.0079 -0.0040 842 SER 80 HB3 -0.0023 0.0079 -0.0046 843 SER 80 HG -0.0023 0.0072 -0.0045 844 GLN 81 N -0.0033 0.0104 -0.0059 845 GLN 81 CA -0.0025 0.0103 -0.0069 846 GLN 81 C -0.0022 0.0092 -0.0070 847 GLN 81 O -0.0025 0.0083 -0.0064 848 GLN 81 CB -0.0020 0.0101 -0.0075 849 GLN 81 CG -0.0011 0.0102 -0.0085 850 GLN 81 CD -0.0006 0.0100 -0.0091 851 GLN 81 OE1 -0.0007 0.0093 -0.0088 852 GLN 81 NE2 0.0000 0.0106 -0.0099 853 GLN 81 H -0.0036 0.0101 -0.0056 854 GLN 81 HA -0.0024 0.0111 -0.0072 855 GLN 81 HB2 -0.0023 0.0108 -0.0073 856 GLN 81 HB3 -0.0020 0.0092 -0.0072 857 GLN 81 HG2 -0.0008 0.0096 -0.0087 858 GLN 81 HG3 -0.0011 0.0112 -0.0088 859 GLN 81 HE21 0.0001 0.0112 -0.0102 860 GLN 81 HE22 0.0004 0.0104 -0.0103 861 GLU 82 N -0.0029 0.0102 -0.0058 862 GLU 82 CA -0.0027 0.0096 -0.0060 863 GLU 82 C -0.0024 0.0084 -0.0070 864 GLU 82 O -0.0022 0.0078 -0.0073 865 GLU 82 CB -0.0035 0.0105 -0.0064 866 GLU 82 CG -0.0033 0.0101 -0.0066 867 GLU 82 CD -0.0041 0.0110 -0.0068 868 GLU 82 OE1 -0.0048 0.0112 -0.0079 869 GLU 82 OE2 -0.0040 0.0116 -0.0060 870 GLU 82 H -0.0024 0.0101 -0.0050 871 GLU 82 HA -0.0020 0.0095 -0.0052 872 GLU 82 HB2 -0.0035 0.0113 -0.0056 873 GLU 82 HB3 -0.0041 0.0107 -0.0072 874 GLU 82 HG2 -0.0033 0.0093 -0.0074 875 GLU 82 HG3 -0.0027 0.0098 -0.0058 876 GLU 83 N -0.0032 0.0067 -0.0069 877 GLU 83 CA -0.0033 0.0067 -0.0068 878 GLU 83 C -0.0038 0.0061 -0.0071 879 GLU 83 O -0.0044 0.0060 -0.0067 880 GLU 83 CB -0.0026 0.0069 -0.0071 881 GLU 83 CG -0.0027 0.0070 -0.0070 882 GLU 83 CD -0.0020 0.0072 -0.0072 883 GLU 83 OE1 -0.0016 0.0069 -0.0078 884 GLU 83 OE2 -0.0018 0.0078 -0.0068 885 GLU 83 H -0.0030 0.0064 -0.0073 886 GLU 83 HA -0.0036 0.0070 -0.0063 887 GLU 83 HB2 -0.0022 0.0074 -0.0069 888 GLU 83 HB3 -0.0023 0.0066 -0.0076 889 GLU 83 HG2 -0.0030 0.0065 -0.0073 890 GLU 83 HG3 -0.0030 0.0072 -0.0065 891 ALA 84 N -0.0056 0.0067 -0.0063 892 ALA 84 CA -0.0064 0.0068 -0.0069 893 ALA 84 C -0.0062 0.0069 -0.0077 894 ALA 84 O -0.0067 0.0070 -0.0085 895 ALA 84 CB -0.0068 0.0069 -0.0074 896 ALA 84 H -0.0050 0.0067 -0.0066 897 ALA 84 HA -0.0070 0.0067 -0.0065 898 ALA 84 HB1 -0.0074 0.0070 -0.0079 899 ALA 84 HB2 -0.0062 0.0069 -0.0079 900 ALA 84 HB3 -0.0070 0.0068 -0.0069 901 GLU 85 N -0.0049 0.0072 -0.0072 902 GLU 85 CA -0.0027 0.0086 -0.0070 903 GLU 85 C -0.0004 0.0079 -0.0051 904 GLU 85 O 0.0006 0.0088 -0.0052 905 GLU 85 CB -0.0024 0.0114 -0.0089 906 GLU 85 CG -0.0004 0.0131 -0.0090 907 GLU 85 CD 0.0025 0.0134 -0.0076 908 GLU 85 OE1 0.0037 0.0150 -0.0081 909 GLU 85 OE2 0.0036 0.0121 -0.0060 910 GLU 85 H -0.0045 0.0063 -0.0063 911 GLU 85 HA -0.0029 0.0082 -0.0068 912 GLU 85 HB2 -0.0043 0.0117 -0.0102 913 GLU 85 HB3 -0.0018 0.0118 -0.0089 914 GLU 85 HG2 -0.0009 0.0120 -0.0085 915 GLU 85 HG3 -0.0008 0.0148 -0.0106 916 ARG 86 N 0.0021 0.0047 0.0017 917 ARG 86 CA 0.0032 0.0058 0.0045 918 ARG 86 C 0.0067 0.0057 0.0119 919 ARG 86 O 0.0086 0.0020 0.0149 920 ARG 86 CB 0.0024 0.0006 0.0011 921 ARG 86 CG 0.0031 -0.0073 0.0001 922 ARG 86 CD 0.0065 -0.0110 0.0063 923 ARG 86 NE 0.0069 -0.0182 0.0050 924 ARG 86 CZ 0.0095 -0.0223 0.0093 925 ARG 86 NH1 0.0121 -0.0202 0.0156 926 ARG 86 NH2 0.0095 -0.0285 0.0074 927 ARG 86 H 0.0032 0.0004 0.0027 928 ARG 86 HA 0.0020 0.0111 0.0034 929 ARG 86 HB2 0.0038 0.0006 0.0041 930 ARG 86 HB3 -0.0000 0.0025 -0.0035 931 ARG 86 HG2 0.0022 -0.0102 -0.0026 932 ARG 86 HG3 0.0018 -0.0074 -0.0028 933 ARG 86 HD2 0.0074 -0.0079 0.0093 934 ARG 86 HD3 0.0077 -0.0114 0.0089 935 ARG 86 HE 0.0050 -0.0199 0.0003 936 ARG 86 HH11 0.0122 -0.0155 0.0174 937 ARG 86 HH12 0.0141 -0.0232 0.0189 938 ARG 86 HH21 0.0076 -0.0303 0.0027 939 ARG 86 HH22 0.0114 -0.0318 0.0104 940 ALA 87 N 0.0097 0.0055 0.0147 941 ALA 87 CA 0.0123 0.0061 0.0221 942 ALA 87 C 0.0134 0.0022 0.0238 943 ALA 87 O 0.0147 0.0045 0.0283 944 ALA 87 CB 0.0122 0.0141 0.0243 945 ALA 87 H 0.0083 0.0087 0.0118 946 ALA 87 HA 0.0135 0.0037 0.0247 947 ALA 87 HB1 0.0109 0.0166 0.0216 948 ALA 87 HB2 0.0114 0.0169 0.0231 949 ALA 87 HB3 0.0141 0.0146 0.0298 950 ALA 88 N 0.0154 -0.0033 0.0202 951 ALA 88 CA 0.0170 -0.0103 0.0190 952 ALA 88 C 0.0209 -0.0198 0.0203 953 ALA 88 O 0.0193 -0.0257 0.0141 954 ALA 88 CB 0.0121 -0.0108 0.0101 955 ALA 88 H 0.0142 -0.0049 0.0173 956 ALA 88 HA 0.0192 -0.0082 0.0240 957 ALA 88 HB1 0.0099 -0.0130 0.0051 958 ALA 88 HB2 0.0094 -0.0039 0.0094 959 ALA 88 HB3 0.0135 -0.0160 0.0096 960 GLY 89 N 0.0314 -0.0204 0.0288 961 GLY 89 CA 0.0407 -0.0302 0.0316 962 GLY 89 C 0.0441 -0.0306 0.0426 963 GLY 89 O 0.0417 -0.0280 0.0422 964 GLY 89 H 0.0282 -0.0147 0.0351 965 GLY 89 HA2 0.0426 -0.0351 0.0233 966 GLY 89 HA3 0.0433 -0.0325 0.0338 967 MET 90 N 0.0671 -0.0377 0.0626 968 MET 90 CA 0.0563 -0.0406 0.0715 969 MET 90 C 0.0604 -0.0323 0.0572 970 MET 90 O 0.0480 -0.0206 0.0445 971 MET 90 CB 0.0306 -0.0385 0.0789 972 MET 90 CG 0.0184 -0.0438 0.0922 973 MET 90 SD 0.0175 -0.0361 0.0808 974 MET 90 CE 0.0004 -0.0440 0.0999 975 MET 90 H 0.0791 -0.0452 0.0689 976 MET 90 HA 0.0648 -0.0511 0.0838 977 MET 90 HB2 0.0288 -0.0434 0.0871 978 MET 90 HB3 0.0221 -0.0278 0.0663 979 MET 90 HG2 0.0269 -0.0545 0.1048 980 MET 90 HG3 0.0013 -0.0424 0.0971 981 MET 90 HE1 0.0087 -0.0548 0.1128 982 MET 90 HE2 -0.0017 -0.0402 0.0951 983 MET 90 HE3 -0.0159 -0.0417 0.1033 984 GLY 91 N 0.0885 -0.0372 0.0604 985 GLY 91 CA 0.0932 -0.0255 0.0456 986 GLY 91 C 0.0905 -0.0362 0.0588 987 GLY 91 O 0.1115 -0.0417 0.0604 988 GLY 91 H 0.1010 -0.0497 0.0722 989 GLY 91 HA2 0.0774 -0.0125 0.0340 990 GLY 91 HA3 0.1145 -0.0220 0.0367 991 SER 92 N 0.0642 -0.0458 0.0796 992 SER 92 CA 0.0571 -0.0534 0.0862 993 SER 92 C 0.0385 -0.0422 0.0746 994 SER 92 O 0.0188 -0.0398 0.0711 995 SER 92 CB 0.0473 -0.0722 0.1032 996 SER 92 OG 0.0651 -0.0823 0.1138 997 SER 92 H 0.0520 -0.0451 0.0781 998 SER 92 HA 0.0729 -0.0538 0.0876 999 SER 92 HB2 0.0314 -0.0720 0.1020 1000 SER 92 HB3 0.0428 -0.0782 0.1085 1001 SER 92 HG 0.0775 -0.0739 0.1067 1002 TYR 93 N 0.0270 -0.0209 0.0712 1003 TYR 93 CA 0.0180 -0.0144 0.0525 1004 TYR 93 C -0.0008 -0.0009 0.0130 1005 TYR 93 O -0.0091 0.0106 0.0081 1006 TYR 93 CB 0.0086 0.0139 0.0804 1007 TYR 93 CG 0.0015 0.0198 0.0675 1008 TYR 93 CD1 0.0170 -0.0006 0.0794 1009 TYR 93 CD2 -0.0204 0.0457 0.0437 1010 TYR 93 CE1 0.0110 0.0043 0.0679 1011 TYR 93 CE2 -0.0266 0.0507 0.0321 1012 TYR 93 CZ -0.0109 0.0301 0.0443 1013 TYR 93 OH -0.0170 0.0350 0.0325 1014 TYR 93 H 0.0170 -0.0002 0.0802 1015 TYR 93 HA 0.0312 -0.0389 0.0473 1016 TYR 93 HB2 0.0213 0.0060 0.1098 1017 TYR 93 HB3 -0.0059 0.0389 0.0822 1018 TYR 93 HD1 0.0342 -0.0208 0.0981 1019 TYR 93 HD2 -0.0328 0.0619 0.0341 1020 TYR 93 HE1 0.0233 -0.0120 0.0775 1021 TYR 93 HE2 -0.0438 0.0709 0.0135 1022 TYR 93 HH -0.0250 0.0352 0.0039 1023 VAL 94 N -0.0045 0.0001 -0.0227 1024 VAL 94 CA -0.0245 0.0201 -0.0729 1025 VAL 94 C -0.0524 0.0743 -0.0658 1026 VAL 94 O -0.0638 0.1005 -0.0517 1027 VAL 94 CB -0.0242 0.0046 -0.1156 1028 VAL 94 CG1 -0.0280 0.0180 -0.0973 1029 VAL 94 CG2 -0.0446 0.0246 -0.1680 1030 VAL 94 H 0.0055 -0.0167 -0.0173 1031 VAL 94 HA -0.0195 0.0060 -0.0866 1032 VAL 94 HB -0.0049 -0.0335 -0.1219 1033 VAL 94 HG11 -0.0275 0.0066 -0.1279 1034 VAL 94 HG12 -0.0468 0.0559 -0.0891 1035 VAL 94 HG13 -0.0123 0.0011 -0.0620 1036 VAL 94 HG21 -0.0641 0.0627 -0.1624 1037 VAL 94 HG22 -0.0440 0.0135 -0.1965 1038 VAL 94 HG23 -0.0403 0.0116 -0.1823