1 ASP 28 N -0.0233 0.0683 0.0324 2 ASP 28 CA -0.0046 0.0449 -0.0286 3 ASP 28 C -0.0609 0.0839 -0.0709 4 ASP 28 O -0.1011 0.1213 -0.0331 5 ASP 28 CB 0.0389 0.0150 0.0065 6 ASP 28 CG 0.0608 -0.0108 -0.0530 7 ASP 28 OD1 0.0948 -0.0447 -0.1019 8 ASP 28 OD2 0.0473 0.0005 -0.0493 9 ASP 28 H 0.0145 0.0424 0.0633 10 ASP 28 HA 0.0189 0.0205 -0.0687 11 ASP 28 HB2 0.0787 -0.0127 0.0361 12 ASP 28 HB3 0.0153 0.0396 0.0479 13 PRO 29 N -0.0176 -0.0211 0.0172 14 PRO 29 CA -0.0065 -0.0183 0.0164 15 PRO 29 C 0.0037 -0.0291 0.0143 16 PRO 29 O 0.0075 -0.0334 0.0135 17 PRO 29 CB -0.0005 -0.0055 0.0171 18 PRO 29 CG -0.0109 0.0003 0.0187 19 PRO 29 CD -0.0190 -0.0110 0.0183 20 PRO 29 HA -0.0096 -0.0169 0.0168 21 PRO 29 HB2 0.0083 -0.0079 0.0160 22 PRO 29 HB3 0.0021 0.0010 0.0175 23 PRO 29 HG2 -0.0064 0.0057 0.0188 24 PRO 29 HG3 -0.0170 0.0069 0.0199 25 PRO 29 HD2 -0.0152 -0.0144 0.0176 26 PRO 29 HD3 -0.0291 -0.0079 0.0196 27 ASN 30 N -0.0033 -0.0094 -0.0164 28 ASN 30 CA -0.0060 -0.0084 -0.0039 29 ASN 30 C 0.0040 -0.0069 0.0096 30 ASN 30 O 0.0156 -0.0062 0.0119 31 ASN 30 CB -0.0049 -0.0088 -0.0091 32 ASN 30 CG -0.0073 -0.0079 0.0031 33 ASN 30 OD1 -0.0199 -0.0082 0.0060 34 ASN 30 ND2 0.0045 -0.0068 0.0100 35 ASN 30 H -0.0118 -0.0101 -0.0208 36 ASN 30 HA -0.0174 -0.0086 -0.0004 37 ASN 30 HB2 -0.0133 -0.0099 -0.0177 38 ASN 30 HB3 0.0060 -0.0088 -0.0140 39 ASN 30 HD21 0.0143 -0.0067 0.0070 40 ASN 30 HD22 0.0031 -0.0062 0.0180 41 ALA 31 N 0.0059 -0.0073 0.0075 42 ALA 31 CA 0.0082 -0.0087 0.0124 43 ALA 31 C 0.0094 0.0001 0.0203 44 ALA 31 O 0.0129 -0.0003 0.0288 45 ALA 31 CB 0.0125 -0.0191 0.0169 46 ALA 31 H 0.0060 -0.0022 0.0106 47 ALA 31 HA 0.0059 -0.0085 0.0069 48 ALA 31 HB1 0.0140 -0.0200 0.0202 49 ALA 31 HB2 0.0148 -0.0193 0.0225 50 ALA 31 HB3 0.0116 -0.0253 0.0113 51 GLU 32 N 0.0092 -0.0000 -0.0049 52 GLU 32 CA 0.0110 0.0017 -0.0056 53 GLU 32 C 0.0195 0.0199 -0.0013 54 GLU 32 O 0.0253 0.0245 -0.0037 55 GLU 32 CB -0.0037 -0.0046 0.0041 56 GLU 32 CG -0.0135 0.0045 0.0196 57 GLU 32 CD -0.0276 -0.0020 0.0286 58 GLU 32 OE1 -0.0283 0.0043 0.0335 59 GLU 32 OE2 -0.0382 -0.0136 0.0309 60 GLU 32 H -0.0002 -0.0007 0.0035 61 GLU 32 HA 0.0169 -0.0058 -0.0163 62 GLU 32 HB2 -0.0017 -0.0033 0.0032 63 GLU 32 HB3 -0.0092 -0.0175 0.0006 64 GLU 32 HG2 -0.0159 0.0029 0.0208 65 GLU 32 HG3 -0.0078 0.0176 0.0231 66 PHE 33 N 0.0130 0.0183 0.0032 67 PHE 33 CA 0.0132 0.0193 0.0032 68 PHE 33 C 0.0159 0.0121 0.0062 69 PHE 33 O 0.0168 0.0061 0.0076 70 PHE 33 CB 0.0066 0.0201 -0.0023 71 PHE 33 CG 0.0020 0.0134 -0.0053 72 PHE 33 CD1 0.0014 0.0063 -0.0051 73 PHE 33 CD2 -0.0016 0.0143 -0.0084 74 PHE 33 CE1 -0.0028 0.0002 -0.0078 75 PHE 33 CE2 -0.0058 0.0083 -0.0111 76 PHE 33 CZ -0.0063 0.0012 -0.0108 77 PHE 33 H 0.0099 0.0147 0.0010 78 PHE 33 HA 0.0160 0.0246 0.0049 79 PHE 33 HB2 0.0066 0.0200 -0.0022 80 PHE 33 HB3 0.0049 0.0256 -0.0043 81 PHE 33 HD1 0.0041 0.0055 -0.0027 82 PHE 33 HD2 -0.0012 0.0199 -0.0087 83 PHE 33 HE1 -0.0032 -0.0053 -0.0075 84 PHE 33 HE2 -0.0086 0.0091 -0.0135 85 PHE 33 HZ -0.0095 -0.0035 -0.0130 86 ASP 34 N 0.0051 0.0003 -0.0038 87 ASP 34 CA 0.0039 0.0003 -0.0035 88 ASP 34 C 0.0033 0.0003 -0.0036 89 ASP 34 O 0.0034 0.0000 -0.0044 90 ASP 34 CB 0.0034 0.0001 -0.0041 91 ASP 34 CG 0.0022 0.0002 -0.0037 92 ASP 34 OD1 0.0014 0.0001 -0.0039 93 ASP 34 OD2 0.0021 0.0004 -0.0031 94 ASP 34 H 0.0052 0.0000 -0.0046 95 ASP 34 HA 0.0039 0.0006 -0.0026 96 ASP 34 HB2 0.0039 0.0001 -0.0041 97 ASP 34 HB3 0.0033 -0.0001 -0.0049 98 PRO 35 N 0.0148 0.0024 -0.0060 99 PRO 35 CA 0.0093 -0.0030 -0.0112 100 PRO 35 C 0.0090 -0.0068 -0.0100 101 PRO 35 O 0.0046 -0.0117 -0.0139 102 PRO 35 CB 0.0079 -0.0101 -0.0099 103 PRO 35 CG 0.0133 -0.0112 -0.0020 104 PRO 35 CD 0.0176 -0.0024 -0.0000 105 PRO 35 HA 0.0064 0.0004 -0.0167 106 PRO 35 HB2 0.0050 -0.0158 -0.0115 107 PRO 35 HB3 0.0063 -0.0081 -0.0131 108 PRO 35 HG2 0.0141 -0.0154 0.0010 109 PRO 35 HG3 0.0133 -0.0138 -0.0009 110 PRO 35 HD2 0.0212 -0.0027 0.0052 111 PRO 35 HD3 0.0186 0.0004 0.0001 112 ASP 36 N 0.0029 -0.0086 -0.0147 113 ASP 36 CA -0.0022 -0.0107 -0.0171 114 ASP 36 C -0.0012 -0.0196 -0.0200 115 ASP 36 O -0.0016 -0.0226 -0.0212 116 ASP 36 CB -0.0110 -0.0078 -0.0189 117 ASP 36 CG -0.0166 -0.0101 -0.0216 118 ASP 36 OD1 -0.0167 -0.0066 -0.0204 119 ASP 36 OD2 -0.0211 -0.0156 -0.0250 120 ASP 36 H 0.0011 -0.0094 -0.0155 121 ASP 36 HA -0.0002 -0.0079 -0.0154 122 ASP 36 HB2 -0.0115 -0.0014 -0.0168 123 ASP 36 HB3 -0.0129 -0.0103 -0.0204 124 LEU 37 N -0.0018 0.0037 -0.0108 125 LEU 37 CA -0.0026 0.0011 -0.0086 126 LEU 37 C -0.0031 -0.0013 0.0005 127 LEU 37 O -0.0043 -0.0055 0.0038 128 LEU 37 CB -0.0046 -0.0057 -0.0142 129 LEU 37 CG -0.0041 -0.0036 -0.0233 130 LEU 37 CD1 -0.0023 0.0026 -0.0235 131 LEU 37 CD2 -0.0033 -0.0008 -0.0284 132 LEU 37 H -0.0030 -0.0002 -0.0126 133 LEU 37 HA -0.0011 0.0062 -0.0096 134 LEU 37 HB2 -0.0058 -0.0101 -0.0144 135 LEU 37 HB3 -0.0053 -0.0084 -0.0112 136 LEU 37 HG -0.0056 -0.0089 -0.0262 137 LEU 37 HD11 -0.0020 0.0039 -0.0299 138 LEU 37 HD12 -0.0007 0.0081 -0.0206 139 LEU 37 HD13 -0.0029 0.0004 -0.0203 140 LEU 37 HD21 -0.0030 0.0007 -0.0346 141 LEU 37 HD22 -0.0047 -0.0054 -0.0286 142 LEU 37 HD23 -0.0018 0.0045 -0.0256 143 PRO 38 N -0.0091 -0.0006 0.0054 144 PRO 38 CA -0.0094 -0.0015 0.0093 145 PRO 38 C -0.0085 -0.0064 0.0095 146 PRO 38 O -0.0077 -0.0083 0.0061 147 PRO 38 CB -0.0099 0.0016 0.0083 148 PRO 38 CG -0.0101 0.0051 0.0050 149 PRO 38 CD -0.0093 0.0029 0.0022 150 PRO 38 HA -0.0100 -0.0006 0.0124 151 PRO 38 HB2 -0.0093 -0.0004 0.0068 152 PRO 38 HB3 -0.0105 0.0031 0.0114 153 PRO 38 HG2 -0.0100 0.0063 0.0029 154 PRO 38 HG3 -0.0108 0.0079 0.0069 155 PRO 38 HD2 -0.0086 0.0014 -0.0008 156 PRO 38 HD3 -0.0096 0.0053 0.0012 157 GLY 39 N -0.0024 -0.0018 0.0106 158 GLY 39 CA -0.0001 -0.0034 0.0106 159 GLY 39 C 0.0015 -0.0047 0.0113 160 GLY 39 O 0.0035 -0.0060 0.0106 161 GLY 39 H -0.0035 -0.0014 0.0121 162 GLY 39 HA2 -0.0002 -0.0037 0.0120 163 GLY 39 HA3 0.0005 -0.0033 0.0086 164 GLY 40 N 0.0005 -0.0094 0.0044 165 GLY 40 CA -0.0001 -0.0093 0.0033 166 GLY 40 C -0.0012 -0.0100 0.0017 167 GLY 40 O -0.0018 -0.0102 0.0006 168 GLY 40 H 0.0009 -0.0082 0.0047 169 GLY 40 HA2 0.0000 -0.0080 0.0031 170 GLY 40 HA3 0.0001 -0.0103 0.0038 171 GLY 41 N -0.0051 -0.0089 0.0016 172 GLY 41 CA -0.0073 -0.0103 -0.0002 173 GLY 41 C -0.0081 -0.0134 -0.0001 174 GLY 41 O -0.0100 -0.0148 -0.0016 175 GLY 41 H -0.0039 -0.0087 0.0029 176 GLY 41 HA2 -0.0072 -0.0104 -0.0001 177 GLY 41 HA3 -0.0084 -0.0088 -0.0018 178 LEU 42 N -0.0035 -0.0054 0.0058 179 LEU 42 CA -0.0015 -0.0038 0.0052 180 LEU 42 C -0.0003 -0.0077 0.0029 181 LEU 42 O 0.0009 -0.0071 0.0024 182 LEU 42 CB 0.0025 -0.0002 0.0042 183 LEU 42 CG 0.0019 0.0041 0.0063 184 LEU 42 CD1 0.0062 0.0072 0.0049 185 LEU 42 CD2 -0.0011 0.0067 0.0092 186 LEU 42 H -0.0016 -0.0056 0.0045 187 LEU 42 HA -0.0037 -0.0021 0.0072 188 LEU 42 HB2 0.0047 -0.0020 0.0022 189 LEU 42 HB3 0.0040 0.0009 0.0038 190 LEU 42 HG 0.0006 0.0029 0.0066 191 LEU 42 HD11 0.0057 0.0103 0.0064 192 LEU 42 HD12 0.0077 0.0083 0.0045 193 LEU 42 HD13 0.0083 0.0054 0.0030 194 LEU 42 HD21 0.0001 0.0078 0.0089 195 LEU 42 HD22 -0.0014 0.0097 0.0106 196 LEU 42 HD23 -0.0043 0.0045 0.0102 197 HIS 43 N -0.0010 0.0010 0.0099 198 HIS 43 CA -0.0002 -0.0011 0.0062 199 HIS 43 C -0.0037 -0.0035 0.0057 200 HIS 43 O -0.0061 -0.0052 0.0053 201 HIS 43 CB 0.0013 -0.0020 0.0036 202 HIS 43 CG 0.0046 0.0003 0.0041 203 HIS 43 ND1 0.0081 0.0015 0.0027 204 HIS 43 CD2 0.0048 0.0017 0.0058 205 HIS 43 CE1 0.0104 0.0034 0.0036 206 HIS 43 NE2 0.0085 0.0036 0.0054 207 HIS 43 H -0.0031 0.0004 0.0109 208 HIS 43 HA 0.0018 -0.0002 0.0057 209 HIS 43 HB2 -0.0009 -0.0033 0.0037 210 HIS 43 HB3 0.0021 -0.0034 0.0010 211 HIS 43 HD1 0.0089 0.0010 0.0014 212 HIS 43 HD2 0.0025 0.0013 0.0073 213 HIS 43 HE1 0.0134 0.0046 0.0027 214 HIS 43 HE2 0.0095 0.0051 0.0068 215 ARG 44 N -0.0115 -0.0105 0.0034 216 ARG 44 CA -0.0092 -0.0084 0.0028 217 ARG 44 C -0.0099 -0.0081 0.0046 218 ARG 44 O -0.0120 -0.0101 0.0052 219 ARG 44 CB -0.0081 -0.0092 -0.0008 220 ARG 44 CG -0.0079 -0.0103 -0.0032 221 ARG 44 CD -0.0070 -0.0113 -0.0067 222 ARG 44 NE -0.0069 -0.0126 -0.0092 223 ARG 44 CZ -0.0059 -0.0134 -0.0125 224 ARG 44 NH1 -0.0050 -0.0130 -0.0136 225 ARG 44 NH2 -0.0058 -0.0145 -0.0146 226 ARG 44 H -0.0130 -0.0124 0.0031 227 ARG 44 HA -0.0078 -0.0065 0.0034 228 ARG 44 HB2 -0.0093 -0.0107 -0.0011 229 ARG 44 HB3 -0.0062 -0.0074 -0.0012 230 ARG 44 HG2 -0.0065 -0.0087 -0.0031 231 ARG 44 HG3 -0.0097 -0.0120 -0.0026 232 ARG 44 HD2 -0.0083 -0.0128 -0.0068 233 ARG 44 HD3 -0.0051 -0.0096 -0.0072 234 ARG 44 HE -0.0076 -0.0129 -0.0084 235 ARG 44 HH11 -0.0050 -0.0122 -0.0120 236 ARG 44 HH12 -0.0042 -0.0136 -0.0160 237 ARG 44 HH21 -0.0064 -0.0148 -0.0140 238 ARG 44 HH22 -0.0050 -0.0150 -0.0171 239 CYS 45 N -0.0044 -0.0026 0.0025 240 CYS 45 CA -0.0030 -0.0011 0.0002 241 CYS 45 C -0.0017 -0.0014 0.0005 242 CYS 45 O -0.0034 -0.0015 0.0009 243 CYS 45 CB -0.0050 0.0003 -0.0021 244 CYS 45 SG -0.0034 0.0022 -0.0050 245 CYS 45 H -0.0063 -0.0028 0.0030 246 CYS 45 HA -0.0012 -0.0010 -0.0000 247 CYS 45 HB2 -0.0056 0.0005 -0.0024 248 CYS 45 HB3 -0.0071 0.0001 -0.0017 249 LEU 46 N 0.0019 -0.0032 -0.0096 250 LEU 46 CA 0.0046 -0.0041 -0.0049 251 LEU 46 C 0.0029 -0.0040 -0.0070 252 LEU 46 O 0.0018 -0.0067 -0.0034 253 LEU 46 CB 0.0112 -0.0008 -0.0029 254 LEU 46 CG 0.0133 -0.0009 -0.0002 255 LEU 46 CD1 0.0199 0.0027 0.0011 256 LEU 46 CD2 0.0113 -0.0054 0.0056 257 LEU 46 H 0.0045 -0.0004 -0.0115 258 LEU 46 HA 0.0028 -0.0074 -0.0009 259 LEU 46 HB2 0.0129 0.0025 -0.0068 260 LEU 46 HB3 0.0131 -0.0015 0.0006 261 LEU 46 HG 0.0112 -0.0003 -0.0037 262 LEU 46 HD11 0.0212 0.0059 -0.0031 263 LEU 46 HD12 0.0213 0.0025 0.0032 264 LEU 46 HD13 0.0220 0.0023 0.0043 265 LEU 46 HD21 0.0065 -0.0079 0.0045 266 LEU 46 HD22 0.0130 -0.0062 0.0090 267 LEU 46 HD23 0.0130 -0.0053 0.0074 268 ALA 47 N 0.0090 -0.0026 -0.0145 269 ALA 47 CA 0.0088 -0.0004 -0.0165 270 ALA 47 C 0.0067 0.0013 -0.0160 271 ALA 47 O 0.0066 0.0030 -0.0175 272 ALA 47 CB 0.0088 0.0006 -0.0173 273 ALA 47 H 0.0089 -0.0031 -0.0139 274 ALA 47 HA 0.0103 -0.0005 -0.0177 275 ALA 47 HB1 0.0088 0.0022 -0.0188 276 ALA 47 HB2 0.0073 0.0008 -0.0161 277 ALA 47 HB3 0.0103 -0.0006 -0.0177 278 CYS 48 N -0.0080 -0.0048 0.0007 279 CYS 48 CA -0.0110 -0.0032 0.0015 280 CYS 48 C -0.0118 -0.0036 0.0038 281 CYS 48 O -0.0141 -0.0023 0.0042 282 CYS 48 CB -0.0127 -0.0025 0.0023 283 CYS 48 SG -0.0123 -0.0015 -0.0007 284 CYS 48 H -0.0070 -0.0060 0.0023 285 CYS 48 HA -0.0115 -0.0021 -0.0006 286 CYS 48 HB2 -0.0122 -0.0035 0.0041 287 CYS 48 HB3 -0.0149 -0.0013 0.0028 288 ALA 49 N -0.0126 -0.0116 0.0008 289 ALA 49 CA -0.0136 -0.0107 0.0039 290 ALA 49 C -0.0131 -0.0126 0.0009 291 ALA 49 O -0.0145 -0.0136 0.0029 292 ALA 49 CB -0.0167 -0.0131 0.0084 293 ALA 49 H -0.0112 -0.0088 0.0004 294 ALA 49 HA -0.0123 -0.0069 0.0050 295 ALA 49 HB1 -0.0180 -0.0170 0.0073 296 ALA 49 HB2 -0.0169 -0.0118 0.0104 297 ALA 49 HB3 -0.0173 -0.0123 0.0107 298 ARG 50 N -0.0104 -0.0073 0.0038 299 ARG 50 CA -0.0110 -0.0092 0.0010 300 ARG 50 C -0.0191 -0.0115 -0.0035 301 ARG 50 O -0.0260 -0.0097 -0.0020 302 ARG 50 CB -0.0104 -0.0052 0.0070 303 ARG 50 CG -0.0019 -0.0029 0.0116 304 ARG 50 CD -0.0019 0.0011 0.0174 305 ARG 50 NE 0.0062 0.0034 0.0220 306 ARG 50 CZ 0.0076 0.0073 0.0279 307 ARG 50 NH1 0.0017 0.0092 0.0296 308 ARG 50 NH2 0.0150 0.0093 0.0318 309 ARG 50 H -0.0142 -0.0043 0.0076 310 ARG 50 HA -0.0056 -0.0121 -0.0023 311 ARG 50 HB2 -0.0157 -0.0022 0.0104 312 ARG 50 HB3 -0.0112 -0.0068 0.0045 313 ARG 50 HG2 0.0034 -0.0058 0.0082 314 ARG 50 HG3 -0.0011 -0.0012 0.0141 315 ARG 50 HD2 -0.0073 0.0039 0.0207 316 ARG 50 HD3 -0.0026 -0.0006 0.0148 317 ARG 50 HE 0.0107 0.0020 0.0205 318 ARG 50 HH11 -0.0039 0.0078 0.0267 319 ARG 50 HH12 0.0026 0.0120 0.0339 320 ARG 50 HH21 0.0197 0.0079 0.0306 321 ARG 50 HH22 0.0162 0.0122 0.0363 322 TYR 51 N -0.0104 -0.0064 0.0023 323 TYR 51 CA -0.0105 -0.0081 0.0044 324 TYR 51 C -0.0091 -0.0071 0.0096 325 TYR 51 O -0.0077 -0.0032 0.0109 326 TYR 51 CB -0.0102 -0.0054 0.0020 327 TYR 51 CG -0.0115 -0.0058 -0.0034 328 TYR 51 CD1 -0.0112 -0.0026 -0.0064 329 TYR 51 CD2 -0.0129 -0.0094 -0.0054 330 TYR 51 CE1 -0.0123 -0.0029 -0.0112 331 TYR 51 CE2 -0.0140 -0.0097 -0.0103 332 TYR 51 CZ -0.0137 -0.0065 -0.0131 333 TYR 51 OH -0.0148 -0.0068 -0.0180 334 TYR 51 H -0.0096 -0.0030 0.0019 335 TYR 51 HA -0.0116 -0.0117 0.0039 336 TYR 51 HB2 -0.0091 -0.0018 0.0027 337 TYR 51 HB3 -0.0103 -0.0068 0.0034 338 TYR 51 HD1 -0.0101 0.0002 -0.0049 339 TYR 51 HD2 -0.0131 -0.0119 -0.0032 340 TYR 51 HE1 -0.0121 -0.0004 -0.0134 341 TYR 51 HE2 -0.0151 -0.0125 -0.0118 342 TYR 51 HH -0.0142 -0.0036 -0.0193 343 PHE 52 N -0.0096 -0.0020 0.0085 344 PHE 52 CA -0.0099 -0.0019 0.0081 345 PHE 52 C -0.0095 -0.0020 0.0095 346 PHE 52 O -0.0083 -0.0021 0.0104 347 PHE 52 CB -0.0089 -0.0019 0.0065 348 PHE 52 CG -0.0093 -0.0018 0.0050 349 PHE 52 CD1 -0.0086 -0.0018 0.0047 350 PHE 52 CD2 -0.0105 -0.0017 0.0037 351 PHE 52 CE1 -0.0089 -0.0017 0.0033 352 PHE 52 CE2 -0.0108 -0.0016 0.0023 353 PHE 52 CZ -0.0101 -0.0016 0.0021 354 PHE 52 H -0.0084 -0.0020 0.0087 355 PHE 52 HA -0.0113 -0.0019 0.0078 356 PHE 52 HB2 -0.0076 -0.0019 0.0068 357 PHE 52 HB3 -0.0092 -0.0018 0.0062 358 PHE 52 HD1 -0.0077 -0.0018 0.0057 359 PHE 52 HD2 -0.0111 -0.0017 0.0039 360 PHE 52 HE1 -0.0083 -0.0017 0.0032 361 PHE 52 HE2 -0.0117 -0.0016 0.0014 362 PHE 52 HZ -0.0103 -0.0016 0.0010 363 ILE 53 N -0.0101 -0.0061 0.0118 364 ILE 53 CA -0.0046 0.0010 0.0093 365 ILE 53 C 0.0027 0.0094 0.0057 366 ILE 53 O 0.0059 0.0182 0.0068 367 ILE 53 CB -0.0017 -0.0054 0.0024 368 ILE 53 CG1 0.0023 -0.0123 -0.0060 369 ILE 53 CG2 -0.0085 -0.0121 0.0066 370 ILE 53 CD1 0.0056 -0.0185 -0.0133 371 ILE 53 H -0.0109 -0.0137 0.0085 372 ILE 53 HA -0.0078 0.0050 0.0153 373 ILE 53 HB 0.0027 0.0004 0.0006 374 ILE 53 HG12 -0.0020 -0.0179 -0.0042 375 ILE 53 HG13 0.0072 -0.0072 -0.0088 376 ILE 53 HG21 -0.0132 -0.0176 0.0090 377 ILE 53 HG22 -0.0108 -0.0069 0.0122 378 ILE 53 HG23 -0.0064 -0.0165 0.0017 379 ILE 53 HD11 0.0101 -0.0131 -0.0155 380 ILE 53 HD12 0.0081 -0.0233 -0.0188 381 ILE 53 HD13 0.0008 -0.0237 -0.0106 382 ASP 54 N 0.0029 0.0068 0.0026 383 ASP 54 CA 0.0087 0.0135 -0.0013 384 ASP 54 C 0.0073 0.0122 -0.0004 385 ASP 54 O 0.0034 0.0041 0.0008 386 ASP 54 CB 0.0157 0.0114 -0.0104 387 ASP 54 CG 0.0222 0.0185 -0.0149 388 ASP 54 OD1 0.0250 0.0269 -0.0146 389 ASP 54 OD2 0.0246 0.0158 -0.0188 390 ASP 54 H 0.0002 0.0003 0.0029 391 ASP 54 HA 0.0091 0.0212 0.0015 392 ASP 54 HB2 0.0164 0.0121 -0.0109 393 ASP 54 HB3 0.0154 0.0038 -0.0133 394 SER 55 N 0.0079 0.0116 -0.0043 395 SER 55 CA 0.0074 0.0096 -0.0050 396 SER 55 C 0.0086 0.0070 -0.0059 397 SER 55 O 0.0074 0.0050 -0.0065 398 SER 55 CB 0.0087 0.0106 -0.0047 399 SER 55 OG 0.0084 0.0088 -0.0053 400 SER 55 H 0.0091 0.0131 -0.0039 401 SER 55 HA 0.0052 0.0094 -0.0049 402 SER 55 HB2 0.0077 0.0123 -0.0041 403 SER 55 HB3 0.0108 0.0111 -0.0046 404 SER 55 HG 0.0100 0.0076 -0.0057 405 THR 56 N 0.0081 0.0079 -0.0074 406 THR 56 CA 0.0114 0.0062 0.0018 407 THR 56 C 0.0111 0.0154 -0.0030 408 THR 56 O 0.0106 0.0110 -0.0024 409 THR 56 CB 0.0175 0.0102 0.0155 410 THR 56 OG1 0.0177 0.0027 0.0192 411 THR 56 CG2 0.0209 0.0067 0.0257 412 THR 56 H 0.0101 0.0119 -0.0042 413 THR 56 HA 0.0098 -0.0045 0.0024 414 THR 56 HB 0.0191 0.0212 0.0147 415 THR 56 HG1 0.0169 0.0081 0.0149 416 THR 56 HG21 0.0252 0.0096 0.0351 417 THR 56 HG22 0.0192 -0.0044 0.0261 418 THR 56 HG23 0.0208 0.0122 0.0229 419 ASN 57 N 0.0055 0.0093 -0.0040 420 ASN 57 CA 0.0033 0.0084 -0.0045 421 ASN 57 C 0.0030 0.0083 -0.0046 422 ASN 57 O 0.0019 0.0074 -0.0060 423 ASN 57 CB 0.0015 0.0084 -0.0027 424 ASN 57 CG 0.0009 0.0080 -0.0032 425 ASN 57 OD1 -0.0006 0.0071 -0.0043 426 ASN 57 ND2 0.0021 0.0087 -0.0024 427 ASN 57 H 0.0056 0.0099 -0.0026 428 ASN 57 HA 0.0030 0.0077 -0.0061 429 ASN 57 HB2 0.0022 0.0092 -0.0012 430 ASN 57 HB3 0.0001 0.0079 -0.0026 431 ASN 57 HD21 0.0033 0.0094 -0.0015 432 ASN 57 HD22 0.0017 0.0084 -0.0027 433 LEU 58 N -0.0003 0.0043 -0.0055 434 LEU 58 CA -0.0005 0.0038 -0.0066 435 LEU 58 C 0.0007 0.0027 -0.0085 436 LEU 58 O -0.0002 0.0022 -0.0101 437 LEU 58 CB 0.0002 0.0043 -0.0051 438 LEU 58 CG 0.0004 0.0039 -0.0060 439 LEU 58 CD1 0.0025 0.0029 -0.0069 440 LEU 58 CD2 -0.0015 0.0037 -0.0075 441 LEU 58 H 0.0005 0.0047 -0.0041 442 LEU 58 HA -0.0022 0.0041 -0.0071 443 LEU 58 HB2 -0.0010 0.0051 -0.0040 444 LEU 58 HB3 0.0017 0.0042 -0.0043 445 LEU 58 HG 0.0004 0.0044 -0.0049 446 LEU 58 HD11 0.0026 0.0026 -0.0075 447 LEU 58 HD12 0.0026 0.0023 -0.0081 448 LEU 58 HD13 0.0038 0.0031 -0.0057 449 LEU 58 HD21 -0.0015 0.0031 -0.0088 450 LEU 58 HD22 -0.0013 0.0034 -0.0081 451 LEU 58 HD23 -0.0030 0.0044 -0.0068 452 LYS 59 N 0.0054 0.0069 -0.0116 453 LYS 59 CA 0.0058 0.0021 -0.0113 454 LYS 59 C 0.0055 0.0065 -0.0090 455 LYS 59 O 0.0056 0.0049 -0.0116 456 LYS 59 CB 0.0066 -0.0048 -0.0063 457 LYS 59 CG 0.0069 -0.0032 0.0019 458 LYS 59 CD 0.0077 -0.0103 0.0062 459 LYS 59 CE 0.0082 -0.0157 0.0066 460 LYS 59 NZ 0.0081 -0.0125 0.0108 461 LYS 59 H 0.0056 0.0061 -0.0085 462 LYS 59 HA 0.0057 0.0003 -0.0170 463 LYS 59 HB2 0.0069 -0.0084 -0.0066 464 LYS 59 HB3 0.0068 -0.0078 -0.0084 465 LYS 59 HG2 0.0066 0.0006 0.0022 466 LYS 59 HG3 0.0068 -0.0005 0.0043 467 LYS 59 HD2 0.0078 -0.0131 0.0034 468 LYS 59 HD3 0.0078 -0.0088 0.0118 469 LYS 59 HE2 0.0080 -0.0171 0.0010 470 LYS 59 HE3 0.0087 -0.0207 0.0093 471 LYS 59 HZ1 0.0083 -0.0116 0.0163 472 LYS 59 HZ2 0.0084 -0.0164 0.0108 473 LYS 59 HZ3 0.0076 -0.0076 0.0085 474 THR 60 N 0.0033 0.0065 -0.0083 475 THR 60 CA 0.0023 0.0124 -0.0064 476 THR 60 C 0.0003 0.0179 -0.0156 477 THR 60 O -0.0003 0.0198 -0.0176 478 THR 60 CB 0.0016 0.0194 0.0022 479 THR 60 OG1 0.0035 0.0140 0.0108 480 THR 60 CG2 0.0005 0.0256 0.0044 481 THR 60 H 0.0034 0.0079 -0.0047 482 THR 60 HA 0.0034 0.0077 -0.0046 483 THR 60 HB 0.0005 0.0237 0.0001 484 THR 60 HG1 0.0039 0.0114 0.0100 485 THR 60 HG21 -0.0000 0.0304 0.0104 486 THR 60 HG22 0.0016 0.0211 0.0062 487 THR 60 HG23 -0.0009 0.0297 -0.0020 488 HIS 61 N -0.0021 0.0110 -0.0109 489 HIS 61 CA -0.0028 0.0098 -0.0093 490 HIS 61 C -0.0024 0.0108 -0.0088 491 HIS 61 O -0.0030 0.0097 -0.0083 492 HIS 61 CB -0.0033 0.0095 -0.0069 493 HIS 61 CG -0.0037 0.0090 -0.0048 494 HIS 61 ND1 -0.0047 0.0071 -0.0045 495 HIS 61 CD2 -0.0033 0.0103 -0.0029 496 HIS 61 CE1 -0.0049 0.0073 -0.0026 497 HIS 61 NE2 -0.0040 0.0092 -0.0016 498 HIS 61 H -0.0018 0.0117 -0.0104 499 HIS 61 HA -0.0035 0.0082 -0.0101 500 HIS 61 HB2 -0.0039 0.0082 -0.0072 501 HIS 61 HB3 -0.0026 0.0110 -0.0065 502 HIS 61 HD1 -0.0052 0.0058 -0.0056 503 HIS 61 HD2 -0.0026 0.0120 -0.0025 504 HIS 61 HE1 -0.0055 0.0062 -0.0017 505 PHE 62 N 0.0012 0.0067 -0.0069 506 PHE 62 CA 0.0015 0.0067 -0.0073 507 PHE 62 C 0.0010 0.0076 -0.0060 508 PHE 62 O 0.0010 0.0077 -0.0061 509 PHE 62 CB 0.0012 0.0049 -0.0079 510 PHE 62 CG 0.0016 0.0038 -0.0091 511 PHE 62 CD1 0.0028 0.0042 -0.0104 512 PHE 62 CD2 0.0008 0.0022 -0.0089 513 PHE 62 CE1 0.0031 0.0032 -0.0115 514 PHE 62 CE2 0.0012 0.0011 -0.0100 515 PHE 62 CZ 0.0023 0.0016 -0.0112 516 PHE 62 H 0.0006 0.0057 -0.0066 517 PHE 62 HA 0.0025 0.0074 -0.0082 518 PHE 62 HB2 0.0003 0.0043 -0.0070 519 PHE 62 HB3 0.0017 0.0051 -0.0084 520 PHE 62 HD1 0.0034 0.0055 -0.0105 521 PHE 62 HD2 -0.0001 0.0018 -0.0079 522 PHE 62 HE1 0.0041 0.0036 -0.0125 523 PHE 62 HE2 0.0005 -0.0001 -0.0098 524 PHE 62 HZ 0.0025 0.0007 -0.0120 525 ARG 63 N -0.0016 0.0158 -0.0055 526 ARG 63 CA -0.0013 0.0151 -0.0085 527 ARG 63 C -0.0043 0.0155 -0.0124 528 ARG 63 O -0.0046 0.0151 -0.0152 529 ARG 63 CB -0.0016 0.0157 -0.0063 530 ARG 63 CG 0.0019 0.0150 -0.0030 531 ARG 63 CD 0.0014 0.0156 -0.0008 532 ARG 63 NE 0.0011 0.0151 -0.0039 533 ARG 63 CZ 0.0013 0.0152 -0.0029 534 ARG 63 NH1 0.0021 0.0157 0.0012 535 ARG 63 NH2 0.0009 0.0148 -0.0060 536 ARG 63 H -0.0030 0.0168 -0.0027 537 ARG 63 HA 0.0018 0.0138 -0.0097 538 ARG 63 HB2 -0.0045 0.0170 -0.0047 539 ARG 63 HB3 -0.0017 0.0152 -0.0087 540 ARG 63 HG2 0.0047 0.0137 -0.0046 541 ARG 63 HG3 0.0020 0.0154 -0.0005 542 ARG 63 HD2 0.0041 0.0150 0.0014 543 ARG 63 HD3 -0.0014 0.0169 0.0010 544 ARG 63 HE 0.0007 0.0147 -0.0070 545 ARG 63 HH11 0.0025 0.0160 0.0036 546 ARG 63 HH12 0.0022 0.0158 0.0021 547 ARG 63 HH21 0.0003 0.0144 -0.0091 548 ARG 63 HH22 0.0010 0.0149 -0.0054 549 SER 64 N -0.0068 0.0044 -0.0064 550 SER 64 CA -0.0073 0.0027 -0.0050 551 SER 64 C -0.0077 0.0042 -0.0035 552 SER 64 O -0.0081 0.0055 -0.0018 553 SER 64 CB -0.0079 0.0014 -0.0033 554 SER 64 OG -0.0076 0.0005 -0.0045 555 SER 64 H -0.0069 0.0051 -0.0058 556 SER 64 HA -0.0070 0.0013 -0.0062 557 SER 64 HB2 -0.0082 0.0027 -0.0019 558 SER 64 HB3 -0.0082 -0.0002 -0.0025 559 SER 64 HG -0.0074 -0.0010 -0.0055 560 LYS 65 N -0.0152 -0.0084 -0.0105 561 LYS 65 CA -0.0126 0.0046 -0.0035 562 LYS 65 C -0.0043 0.0031 0.0096 563 LYS 65 O -0.0010 0.0112 0.0166 564 LYS 65 CB -0.0167 0.0149 -0.0081 565 LYS 65 CG -0.0173 0.0097 -0.0102 566 LYS 65 CD -0.0100 0.0061 0.0009 567 LYS 65 CE -0.0110 0.0011 -0.0016 568 LYS 65 NZ -0.0039 -0.0032 0.0089 569 LYS 65 H -0.0187 -0.0104 -0.0165 570 LYS 65 HA -0.0138 0.0089 -0.0047 571 LYS 65 HB2 -0.0139 0.0235 -0.0019 572 LYS 65 HB3 -0.0221 0.0184 -0.0162 573 LYS 65 HG2 -0.0206 0.0175 -0.0140 574 LYS 65 HG3 -0.0199 0.0008 -0.0162 575 LYS 65 HD2 -0.0065 -0.0017 0.0050 576 LYS 65 HD3 -0.0076 0.0152 0.0068 577 LYS 65 HE2 -0.0141 0.0093 -0.0051 578 LYS 65 HE3 -0.0138 -0.0074 -0.0080 579 LYS 65 HZ1 -0.0009 0.0047 0.0154 580 LYS 65 HZ2 -0.0008 -0.0113 0.0124 581 LYS 65 HZ3 -0.0048 -0.0063 0.0069 582 ASP 66 N -0.0020 -0.0001 0.0113 583 ASP 66 CA 0.0005 0.0000 0.0121 584 ASP 66 C 0.0010 -0.0014 0.0101 585 ASP 66 O 0.0020 -0.0013 0.0106 586 ASP 66 CB 0.0032 0.0000 0.0127 587 ASP 66 CG 0.0057 0.0005 0.0139 588 ASP 66 OD1 0.0059 0.0021 0.0162 589 ASP 66 OD2 0.0075 -0.0006 0.0127 590 ASP 66 H -0.0016 -0.0005 0.0109 591 ASP 66 HA -0.0001 0.0012 0.0137 592 ASP 66 HB2 0.0027 0.0009 0.0138 593 ASP 66 HB3 0.0039 -0.0012 0.0111 594 HIS 67 N 0.0018 0.0019 0.0037 595 HIS 67 CA 0.0014 0.0015 0.0007 596 HIS 67 C -0.0010 -0.0001 0.0001 597 HIS 67 O -0.0013 -0.0005 -0.0017 598 HIS 67 CB 0.0017 0.0016 -0.0001 599 HIS 67 CG 0.0016 0.0013 -0.0031 600 HIS 67 ND1 0.0023 0.0016 -0.0051 601 HIS 67 CD2 0.0014 0.0011 -0.0042 602 HIS 67 CE1 0.0028 0.0017 -0.0073 603 HIS 67 NE2 0.0023 0.0014 -0.0069 604 HIS 67 H 0.0021 0.0022 0.0049 605 HIS 67 HA 0.0026 0.0022 -0.0005 606 HIS 67 HB2 0.0034 0.0027 0.0002 607 HIS 67 HB3 0.0004 0.0009 0.0009 608 HIS 67 HD1 0.0026 0.0018 -0.0049 609 HIS 67 HD2 0.0005 0.0006 -0.0031 610 HIS 67 HE1 0.0034 0.0020 -0.0093 611 LYS 68 N 0.0017 0.0022 0.0031 612 LYS 68 CA 0.0015 0.0022 0.0031 613 LYS 68 C 0.0028 0.0040 0.0038 614 LYS 68 O 0.0036 0.0040 0.0039 615 LYS 68 CB -0.0009 0.0024 0.0029 616 LYS 68 CG -0.0022 0.0007 0.0022 617 LYS 68 CD -0.0046 0.0010 0.0020 618 LYS 68 CE -0.0056 0.0031 0.0025 619 LYS 68 NZ -0.0079 0.0034 0.0023 620 LYS 68 H 0.0004 0.0026 0.0031 621 LYS 68 HA 0.0022 0.0008 0.0028 622 LYS 68 HB2 -0.0015 0.0040 0.0032 623 LYS 68 HB3 -0.0011 0.0023 0.0028 624 LYS 68 HG2 -0.0016 -0.0009 0.0019 625 LYS 68 HG3 -0.0021 0.0008 0.0023 626 LYS 68 HD2 -0.0048 0.0010 0.0020 627 LYS 68 HD3 -0.0056 -0.0002 0.0016 628 LYS 68 HE2 -0.0053 0.0032 0.0026 629 LYS 68 HE3 -0.0047 0.0044 0.0030 630 LYS 68 HZ1 -0.0082 0.0034 0.0023 631 LYS 68 HZ2 -0.0085 0.0049 0.0026 632 LYS 68 HZ3 -0.0087 0.0022 0.0019 633 LYS 69 N 0.0036 -0.0031 0.0071 634 LYS 69 CA 0.0022 -0.0049 0.0042 635 LYS 69 C -0.0009 -0.0039 0.0047 636 LYS 69 O -0.0010 -0.0048 0.0035 637 LYS 69 CB 0.0006 -0.0062 0.0021 638 LYS 69 CG -0.0020 -0.0077 -0.0007 639 LYS 69 CD -0.0035 -0.0085 -0.0022 640 LYS 69 CE -0.0064 -0.0100 -0.0049 641 LYS 69 NZ -0.0078 -0.0105 -0.0060 642 LYS 69 H 0.0035 -0.0029 0.0072 643 LYS 69 HA 0.0044 -0.0062 0.0032 644 LYS 69 HB2 0.0030 -0.0073 0.0014 645 LYS 69 HB3 -0.0008 -0.0048 0.0035 646 LYS 69 HG2 -0.0042 -0.0066 0.0001 647 LYS 69 HG3 -0.0005 -0.0092 -0.0023 648 LYS 69 HD2 -0.0011 -0.0095 -0.0028 649 LYS 69 HD3 -0.0047 -0.0069 -0.0004 650 LYS 69 HE2 -0.0087 -0.0090 -0.0043 651 LYS 69 HE3 -0.0051 -0.0116 -0.0068 652 LYS 69 HZ1 -0.0099 -0.0115 -0.0079 653 LYS 69 HZ2 -0.0089 -0.0089 -0.0042 654 LYS 69 HZ3 -0.0055 -0.0114 -0.0066 655 ARG 70 N 0.0067 -0.0109 -0.0017 656 ARG 70 CA 0.0042 -0.0098 -0.0019 657 ARG 70 C 0.0020 -0.0072 -0.0029 658 ARG 70 O -0.0010 -0.0068 -0.0027 659 ARG 70 CB 0.0059 -0.0087 -0.0027 660 ARG 70 CG 0.0035 -0.0078 -0.0028 661 ARG 70 CD 0.0014 -0.0105 -0.0012 662 ARG 70 NE -0.0011 -0.0097 -0.0013 663 ARG 70 CZ -0.0040 -0.0109 -0.0003 664 ARG 70 NH1 -0.0049 -0.0131 0.0009 665 ARG 70 NH2 -0.0061 -0.0100 -0.0004 666 ARG 70 H 0.0091 -0.0105 -0.0022 667 ARG 70 HA 0.0027 -0.0117 -0.0008 668 ARG 70 HB2 0.0078 -0.0104 -0.0021 669 ARG 70 HB3 0.0073 -0.0067 -0.0039 670 ARG 70 HG2 0.0049 -0.0071 -0.0034 671 ARG 70 HG3 0.0018 -0.0059 -0.0035 672 ARG 70 HD2 0.0001 -0.0112 -0.0007 673 ARG 70 HD3 0.0031 -0.0123 -0.0005 674 ARG 70 HE -0.0004 -0.0081 -0.0022 675 ARG 70 HH11 -0.0034 -0.0139 0.0011 676 ARG 70 HH12 -0.0071 -0.0140 0.0017 677 ARG 70 HH21 -0.0055 -0.0084 -0.0013 678 ARG 70 HH22 -0.0083 -0.0109 0.0003 679 LEU 71 N 0.0058 -0.0019 -0.0034 680 LEU 71 CA 0.0046 -0.0019 -0.0046 681 LEU 71 C 0.0029 -0.0028 -0.0041 682 LEU 71 O 0.0018 -0.0028 -0.0051 683 LEU 71 CB 0.0047 -0.0018 -0.0049 684 LEU 71 CG 0.0063 -0.0010 -0.0054 685 LEU 71 CD1 0.0062 -0.0009 -0.0056 686 LEU 71 CD2 0.0067 -0.0002 -0.0068 687 LEU 71 H 0.0065 -0.0019 -0.0027 688 LEU 71 HA 0.0047 -0.0015 -0.0057 689 LEU 71 HB2 0.0045 -0.0023 -0.0037 690 LEU 71 HB3 0.0038 -0.0018 -0.0058 691 LEU 71 HG 0.0073 -0.0010 -0.0044 692 LEU 71 HD11 0.0053 -0.0009 -0.0066 693 LEU 71 HD12 0.0060 -0.0014 -0.0046 694 LEU 71 HD13 0.0074 -0.0003 -0.0060 695 LEU 71 HD21 0.0069 -0.0003 -0.0066 696 LEU 71 HD22 0.0058 -0.0002 -0.0078 697 LEU 71 HD23 0.0079 0.0003 -0.0071 698 LYS 72 N 0.0018 -0.0041 -0.0017 699 LYS 72 CA 0.0008 -0.0034 -0.0007 700 LYS 72 C 0.0023 -0.0030 -0.0001 701 LYS 72 O 0.0018 -0.0031 -0.0002 702 LYS 72 CB -0.0003 -0.0023 0.0010 703 LYS 72 CG -0.0015 -0.0016 0.0021 704 LYS 72 CD -0.0026 -0.0006 0.0037 705 LYS 72 CE -0.0039 0.0002 0.0048 706 LYS 72 NZ -0.0050 0.0011 0.0063 707 LYS 72 H 0.0019 -0.0038 -0.0012 708 LYS 72 HA -0.0005 -0.0040 -0.0015 709 LYS 72 HB2 -0.0014 -0.0026 0.0006 710 LYS 72 HB3 0.0009 -0.0018 0.0018 711 LYS 72 HG2 -0.0004 -0.0012 0.0027 712 LYS 72 HG3 -0.0027 -0.0021 0.0014 713 LYS 72 HD2 -0.0037 -0.0010 0.0031 714 LYS 72 HD3 -0.0014 -0.0000 0.0044 715 LYS 72 HE2 -0.0028 0.0006 0.0054 716 LYS 72 HE3 -0.0050 -0.0004 0.0040 717 LYS 72 HZ1 -0.0040 0.0017 0.0071 718 LYS 72 HZ2 -0.0061 0.0007 0.0057 719 LYS 72 HZ3 -0.0059 0.0016 0.0070 720 GLN 73 N 0.0010 -0.0105 0.0002 721 GLN 73 CA -0.0017 -0.0115 0.0008 722 GLN 73 C -0.0036 -0.0092 0.0014 723 GLN 73 O -0.0057 -0.0092 0.0019 724 GLN 73 CB -0.0020 -0.0133 0.0007 725 GLN 73 CG -0.0003 -0.0158 0.0000 726 GLN 73 CD -0.0005 -0.0175 -0.0001 727 GLN 73 OE1 -0.0009 -0.0166 0.0001 728 GLN 73 NE2 -0.0002 -0.0201 -0.0004 729 GLN 73 H 0.0023 -0.0108 -0.0001 730 GLN 73 HA -0.0022 -0.0126 0.0008 731 GLN 73 HB2 -0.0014 -0.0122 0.0006 732 GLN 73 HB3 -0.0040 -0.0140 0.0011 733 GLN 73 HG2 -0.0009 -0.0170 0.0001 734 GLN 73 HG3 0.0018 -0.0152 -0.0004 735 GLN 73 HE21 0.0002 -0.0207 -0.0005 736 GLN 73 HE22 -0.0003 -0.0213 -0.0005 737 LEU 74 N -0.0016 -0.0116 -0.0033 738 LEU 74 CA -0.0036 -0.0087 -0.0030 739 LEU 74 C -0.0053 -0.0045 -0.0036 740 LEU 74 O -0.0077 -0.0019 -0.0030 741 LEU 74 CB -0.0010 -0.0084 -0.0050 742 LEU 74 CG -0.0027 -0.0059 -0.0048 743 LEU 74 CD1 -0.0058 -0.0077 -0.0019 744 LEU 74 CD2 0.0002 -0.0058 -0.0070 745 LEU 74 H 0.0011 -0.0121 -0.0050 746 LEU 74 HA -0.0058 -0.0101 -0.0009 747 LEU 74 HB2 0.0004 -0.0115 -0.0047 748 LEU 74 HB3 0.0009 -0.0069 -0.0071 749 LEU 74 HG -0.0039 -0.0027 -0.0053 750 LEU 74 HD11 -0.0069 -0.0059 -0.0019 751 LEU 74 HD12 -0.0047 -0.0109 -0.0014 752 LEU 74 HD13 -0.0079 -0.0076 -0.0004 753 LEU 74 HD21 0.0014 -0.0089 -0.0066 754 LEU 74 HD22 -0.0011 -0.0040 -0.0068 755 LEU 74 HD23 0.0023 -0.0044 -0.0091 756 SER 75 N 0.0040 -0.0044 -0.0037 757 SER 75 CA 0.0068 -0.0008 -0.0027 758 SER 75 C 0.0045 -0.0060 -0.0023 759 SER 75 O 0.0071 -0.0051 0.0001 760 SER 75 CB 0.0134 0.0020 0.0030 761 SER 75 OG 0.0161 0.0060 0.0039 762 SER 75 H 0.0011 -0.0030 -0.0078 763 SER 75 HA 0.0055 0.0038 -0.0068 764 SER 75 HB2 0.0147 0.0057 0.0024 765 SER 75 HB3 0.0147 -0.0026 0.0071 766 SER 75 HG 0.0191 0.0104 0.0047 767 VAL 76 N 0.0044 -0.0022 -0.0087 768 VAL 76 CA 0.0057 0.0000 -0.0105 769 VAL 76 C 0.0063 0.0011 -0.0114 770 VAL 76 O 0.0053 0.0034 -0.0123 771 VAL 76 CB 0.0085 -0.0007 -0.0112 772 VAL 76 CG1 0.0100 0.0016 -0.0130 773 VAL 76 CG2 0.0080 -0.0018 -0.0104 774 VAL 76 H 0.0053 -0.0040 -0.0081 775 VAL 76 HA 0.0044 0.0015 -0.0108 776 VAL 76 HB 0.0098 -0.0022 -0.0108 777 VAL 76 HG11 0.0119 0.0011 -0.0135 778 VAL 76 HG12 0.0086 0.0032 -0.0134 779 VAL 76 HG13 0.0104 0.0023 -0.0136 780 VAL 76 HG21 0.0100 -0.0023 -0.0108 781 VAL 76 HG22 0.0071 -0.0035 -0.0091 782 VAL 76 HG23 0.0066 -0.0004 -0.0107 783 GLU 77 N 0.0109 -0.0000 -0.0056 784 GLU 77 CA 0.0081 -0.0008 -0.0050 785 GLU 77 C 0.0070 -0.0000 -0.0021 786 GLU 77 O 0.0075 0.0010 -0.0002 787 GLU 77 CB 0.0079 -0.0011 -0.0055 788 GLU 77 CG 0.0098 0.0001 -0.0043 789 GLU 77 CD 0.0093 -0.0003 -0.0048 790 GLU 77 OE1 0.0101 -0.0009 -0.0070 791 GLU 77 OE2 0.0082 0.0001 -0.0029 792 GLU 77 H 0.0120 0.0010 -0.0042 793 GLU 77 HA 0.0070 -0.0018 -0.0063 794 GLU 77 HB2 0.0058 -0.0015 -0.0047 795 GLU 77 HB3 0.0081 -0.0019 -0.0077 796 GLU 77 HG2 0.0119 0.0005 -0.0051 797 GLU 77 HG3 0.0095 0.0009 -0.0021 798 PRO 78 N 0.0008 0.0052 0.0013 799 PRO 78 CA -0.0008 0.0031 0.0054 800 PRO 78 C -0.0017 0.0016 0.0086 801 PRO 78 O -0.0036 0.0002 0.0069 802 PRO 78 CB -0.0042 0.0003 0.0032 803 PRO 78 CG -0.0037 0.0016 -0.0020 804 PRO 78 CD -0.0014 0.0039 -0.0032 805 PRO 78 HA 0.0010 0.0044 0.0074 806 PRO 78 HB2 -0.0065 -0.0019 0.0036 807 PRO 78 HB3 -0.0044 -0.0002 0.0049 808 PRO 78 HG2 -0.0062 -0.0004 -0.0041 809 PRO 78 HG3 -0.0023 0.0030 -0.0025 810 PRO 78 HD2 -0.0031 0.0025 -0.0043 811 PRO 78 HD3 0.0002 0.0058 -0.0060 812 TYR 79 N -0.0049 0.0043 0.0210 813 TYR 79 CA -0.0046 0.0026 0.0275 814 TYR 79 C -0.0101 0.0044 0.0379 815 TYR 79 O -0.0074 0.0007 0.0455 816 TYR 79 CB 0.0046 -0.0045 0.0287 817 TYR 79 CG 0.0099 -0.0062 0.0185 818 TYR 79 CD1 0.0146 -0.0083 0.0124 819 TYR 79 CD2 0.0100 -0.0055 0.0150 820 TYR 79 CE1 0.0192 -0.0097 0.0031 821 TYR 79 CE2 0.0146 -0.0069 0.0057 822 TYR 79 CZ 0.0192 -0.0090 -0.0003 823 TYR 79 OH 0.0239 -0.0104 -0.0097 824 TYR 79 H -0.0079 0.0079 0.0149 825 TYR 79 HA -0.0076 0.0057 0.0234 826 TYR 79 HB2 0.0079 -0.0077 0.0321 827 TYR 79 HB3 0.0043 -0.0054 0.0338 828 TYR 79 HD1 0.0145 -0.0089 0.0151 829 TYR 79 HD2 0.0063 -0.0038 0.0197 830 TYR 79 HE1 0.0229 -0.0114 -0.0015 831 TYR 79 HE2 0.0146 -0.0063 0.0030 832 TYR 79 HH 0.0200 -0.0067 -0.0132 833 SER 80 N -0.0055 0.0023 0.0151 834 SER 80 CA -0.0037 0.0018 0.0127 835 SER 80 C -0.0052 0.0019 0.0135 836 SER 80 O -0.0082 0.0023 0.0154 837 SER 80 CB 0.0007 0.0022 0.0134 838 SER 80 OG 0.0028 0.0016 0.0109 839 SER 80 H -0.0047 0.0032 0.0176 840 SER 80 HA -0.0042 0.0009 0.0099 841 SER 80 HB2 0.0016 0.0022 0.0130 842 SER 80 HB3 0.0012 0.0031 0.0161 843 SER 80 HG 0.0030 0.0010 0.0086 844 GLN 81 N -0.0062 -0.0010 0.0118 845 GLN 81 CA -0.0040 -0.0012 0.0082 846 GLN 81 C -0.0032 -0.0041 0.0081 847 GLN 81 O -0.0038 -0.0069 0.0105 848 GLN 81 CB -0.0025 -0.0025 0.0061 849 GLN 81 CG -0.0004 -0.0022 0.0022 850 GLN 81 CD 0.0012 -0.0037 0.0001 851 GLN 81 OE1 0.0012 -0.0065 0.0013 852 GLN 81 NE2 0.0026 -0.0020 -0.0031 853 GLN 81 H -0.0064 -0.0022 0.0129 854 GLN 81 HA -0.0042 0.0016 0.0071 855 GLN 81 HB2 -0.0032 -0.0007 0.0066 856 GLN 81 HB3 -0.0023 -0.0055 0.0070 857 GLN 81 HG2 0.0003 -0.0038 0.0018 858 GLN 81 HG3 -0.0007 0.0009 0.0012 859 GLN 81 HE21 0.0025 0.0002 -0.0039 860 GLN 81 HE22 0.0037 -0.0030 -0.0046 861 GLU 82 N -0.0001 -0.0033 0.0056 862 GLU 82 CA -0.0021 0.0005 0.0020 863 GLU 82 C 0.0031 0.0015 -0.0021 864 GLU 82 O 0.0025 0.0045 -0.0054 865 GLU 82 CB -0.0066 0.0042 0.0002 866 GLU 82 CG -0.0091 0.0083 -0.0034 867 GLU 82 CD -0.0137 0.0115 -0.0048 868 GLU 82 OE1 -0.0123 0.0133 -0.0077 869 GLU 82 OE2 -0.0188 0.0124 -0.0029 870 GLU 82 H 0.0001 -0.0058 0.0085 871 GLU 82 HA -0.0039 -0.0002 0.0039 872 GLU 82 HB2 -0.0101 0.0033 0.0032 873 GLU 82 HB3 -0.0048 0.0047 -0.0015 874 GLU 82 HG2 -0.0057 0.0094 -0.0067 875 GLU 82 HG3 -0.0109 0.0078 -0.0018 876 GLU 83 N -0.0032 -0.0011 0.0072 877 GLU 83 CA -0.0043 0.0019 0.0099 878 GLU 83 C -0.0046 0.0078 0.0093 879 GLU 83 O -0.0041 0.0108 0.0073 880 GLU 83 CB -0.0060 0.0000 0.0154 881 GLU 83 CG -0.0073 0.0030 0.0186 882 GLU 83 CD -0.0089 0.0005 0.0238 883 GLU 83 OE1 -0.0100 0.0013 0.0269 884 GLU 83 OE2 -0.0090 -0.0023 0.0248 885 GLU 83 H -0.0034 -0.0005 0.0078 886 GLU 83 HA -0.0037 0.0012 0.0082 887 GLU 83 HB2 -0.0058 -0.0041 0.0155 888 GLU 83 HB3 -0.0066 0.0005 0.0170 889 GLU 83 HG2 -0.0077 0.0070 0.0189 890 GLU 83 HG3 -0.0067 0.0028 0.0168 891 ALA 84 N 0.0007 0.0054 0.0077 892 ALA 84 CA 0.0115 0.0147 0.0149 893 ALA 84 C 0.0120 0.0153 0.0163 894 ALA 84 O 0.0181 0.0213 0.0254 895 ALA 84 CB 0.0117 0.0171 0.0298 896 ALA 84 H -0.0070 0.0005 0.0140 897 ALA 84 HA 0.0192 0.0194 0.0076 898 ALA 84 HB1 0.0196 0.0239 0.0350 899 ALA 84 HB2 0.0037 0.0122 0.0369 900 ALA 84 HB3 0.0122 0.0172 0.0281 901 GLU 85 N -0.0002 0.0143 0.0026 902 GLU 85 CA 0.0074 0.0177 -0.0018 903 GLU 85 C 0.0116 0.0069 -0.0073 904 GLU 85 O 0.0079 0.0002 -0.0063 905 GLU 85 CB 0.0035 0.0230 0.0021 906 GLU 85 CG 0.0110 0.0291 -0.0016 907 GLU 85 CD 0.0168 0.0215 -0.0074 908 GLU 85 OE1 0.0135 0.0177 -0.0061 909 GLU 85 OE2 0.0245 0.0193 -0.0133 910 GLU 85 H -0.0015 0.0061 0.0016 911 GLU 85 HA 0.0127 0.0238 -0.0040 912 GLU 85 HB2 -0.0013 0.0290 0.0069 913 GLU 85 HB3 -0.0006 0.0163 0.0034 914 GLU 85 HG2 0.0157 0.0333 -0.0039 915 GLU 85 HG3 0.0079 0.0351 0.0020 916 ARG 86 N 0.0144 -0.0030 -0.0188 917 ARG 86 CA 0.0140 0.0071 -0.0089 918 ARG 86 C 0.0066 0.0058 0.0020 919 ARG 86 O 0.0000 -0.0039 0.0042 920 ARG 86 CB 0.0145 0.0105 -0.0068 921 ARG 86 CG 0.0091 -0.0000 -0.0073 922 ARG 86 CD -0.0003 -0.0066 0.0022 923 ARG 86 NE -0.0050 -0.0171 0.0006 924 ARG 86 CZ -0.0131 -0.0260 0.0060 925 ARG 86 NH1 -0.0177 -0.0256 0.0140 926 ARG 86 NH2 -0.0165 -0.0352 0.0033 927 ARG 86 H 0.0097 -0.0111 -0.0181 928 ARG 86 HA 0.0195 0.0145 -0.0114 929 ARG 86 HB2 0.0127 0.0165 0.0017 930 ARG 86 HB3 0.0210 0.0151 -0.0132 931 ARG 86 HG2 0.0104 0.0034 -0.0063 932 ARG 86 HG3 0.0108 -0.0062 -0.0157 933 ARG 86 HD2 -0.0017 -0.0095 0.0020 934 ARG 86 HD3 -0.0021 -0.0006 0.0106 935 ARG 86 HE -0.0017 -0.0174 -0.0051 936 ARG 86 HH11 -0.0155 -0.0188 0.0164 937 ARG 86 HH12 -0.0238 -0.0321 0.0181 938 ARG 86 HH21 -0.0132 -0.0358 -0.0027 939 ARG 86 HH22 -0.0225 -0.0421 0.0070 940 ALA 87 N 0.0027 0.0109 -0.0174 941 ALA 87 CA 0.0132 0.0109 -0.0178 942 ALA 87 C 0.0231 -0.0017 -0.0480 943 ALA 87 O 0.0184 -0.0063 -0.0587 944 ALA 87 CB -0.0133 0.0145 -0.0085 945 ALA 87 H -0.0179 0.0073 -0.0252 946 ALA 87 HA 0.0323 0.0174 -0.0034 947 ALA 87 HB1 -0.0326 0.0082 -0.0226 948 ALA 87 HB2 -0.0202 0.0234 0.0130 949 ALA 87 HB3 -0.0058 0.0142 -0.0093 950 ALA 88 N -0.0445 0.0099 0.0008 951 ALA 88 CA -0.0547 0.0258 0.0284 952 ALA 88 C -0.0859 0.0144 0.0321 953 ALA 88 O -0.0881 0.0112 0.0291 954 ALA 88 CB -0.0307 0.0422 0.0356 955 ALA 88 H -0.0458 -0.0017 -0.0140 956 ALA 88 HA -0.0577 0.0345 0.0418 957 ALA 88 HB1 -0.0278 0.0337 0.0225 958 ALA 88 HB2 -0.0086 0.0501 0.0326 959 ALA 88 HB3 -0.0389 0.0543 0.0568 960 GLY 89 N 0.2554 -0.0883 0.0229 961 GLY 89 CA 0.0323 0.0059 0.0040 962 GLY 89 C -0.3038 -0.0023 -0.0875 963 GLY 89 O -0.3964 0.1477 -0.0489 964 GLY 89 H 0.1911 -0.2028 -0.0418 965 GLY 89 HA2 0.0686 0.2346 0.1092 966 GLY 89 HA3 0.0704 -0.1439 -0.0488 967 MET 90 N 0.0362 -0.0080 -0.0013 968 MET 90 CA 0.0263 -0.0090 -0.0060 969 MET 90 C 0.0207 0.0011 -0.0059 970 MET 90 O 0.0193 0.0060 -0.0053 971 MET 90 CB 0.0239 -0.0153 -0.0088 972 MET 90 CG 0.0141 -0.0187 -0.0141 973 MET 90 SD 0.0047 -0.0088 -0.0158 974 MET 90 CE -0.0051 -0.0157 -0.0221 975 MET 90 H 0.0396 -0.0107 -0.0005 976 MET 90 HA 0.0246 -0.0127 -0.0078 977 MET 90 HB2 0.0288 -0.0219 -0.0083 978 MET 90 HB3 0.0249 -0.0111 -0.0072 979 MET 90 HG2 0.0131 -0.0229 -0.0157 980 MET 90 HG3 0.0136 -0.0234 -0.0156 981 MET 90 HE1 -0.0055 -0.0204 -0.0235 982 MET 90 HE2 -0.0114 -0.0107 -0.0236 983 MET 90 HE3 -0.0043 -0.0202 -0.0229 984 GLY 91 N 0.0105 -0.0243 0.0066 985 GLY 91 CA 0.0074 -0.0176 0.0055 986 GLY 91 C 0.0045 -0.0108 -0.0063 987 GLY 91 O -0.0002 -0.0004 -0.0061 988 GLY 91 H 0.0087 -0.0204 0.0068 989 GLY 91 HA2 0.0099 -0.0231 0.0053 990 GLY 91 HA3 0.0048 -0.0118 0.0132 991 SER 92 N 0.0037 -0.0065 -0.0071 992 SER 92 CA -0.0083 -0.0170 0.0000 993 SER 92 C -0.0141 -0.0101 0.0211 994 SER 92 O -0.0070 0.0038 0.0282 995 SER 92 CB -0.0045 -0.0188 -0.0098 996 SER 92 OG 0.0010 -0.0253 -0.0296 997 SER 92 H 0.0120 0.0048 -0.0059 998 SER 92 HA -0.0161 -0.0291 -0.0032 999 SER 92 HB2 0.0034 -0.0067 -0.0067 1000 SER 92 HB3 -0.0137 -0.0272 -0.0050 1001 SER 92 HG 0.0027 -0.0246 -0.0317 1002 TYR 93 N 0.0068 -0.0125 0.0072 1003 TYR 93 CA 0.0013 -0.0089 0.0052 1004 TYR 93 C -0.0038 -0.0111 0.0026 1005 TYR 93 O -0.0024 -0.0140 0.0029 1006 TYR 93 CB 0.0023 -0.0014 0.0064 1007 TYR 93 CG -0.0027 0.0032 0.0046 1008 TYR 93 CD1 -0.0026 0.0052 0.0049 1009 TYR 93 CD2 -0.0076 0.0055 0.0027 1010 TYR 93 CE1 -0.0071 0.0093 0.0033 1011 TYR 93 CE2 -0.0122 0.0096 0.0011 1012 TYR 93 CZ -0.0119 0.0115 0.0014 1013 TYR 93 OH -0.0165 0.0155 -0.0002 1014 TYR 93 H 0.0084 -0.0116 0.0081 1015 TYR 93 HA 0.0004 -0.0100 0.0046 1016 TYR 93 HB2 0.0065 -0.0002 0.0084 1017 TYR 93 HB3 0.0027 -0.0003 0.0067 1018 TYR 93 HD1 0.0012 0.0034 0.0064 1019 TYR 93 HD2 -0.0078 0.0040 0.0025 1020 TYR 93 HE1 -0.0069 0.0107 0.0036 1021 TYR 93 HE2 -0.0159 0.0113 -0.0004 1022 TYR 93 HH -0.0203 0.0136 -0.0021 1023 VAL 94 N 0.0271 0.0096 0.0003 1024 VAL 94 CA 0.0206 0.0055 0.0001 1025 VAL 94 C 0.0196 0.0054 0.0002 1026 VAL 94 O 0.0179 0.0110 0.0016 1027 VAL 94 CB 0.0135 0.0078 0.0014 1028 VAL 94 CG1 0.0119 0.0158 0.0032 1029 VAL 94 CG2 0.0069 0.0031 0.0011 1030 VAL 94 H 0.0266 0.0139 0.0013 1031 VAL 94 HA 0.0217 -0.0000 -0.0011 1032 VAL 94 HB 0.0144 0.0070 0.0011 1033 VAL 94 HG11 0.0069 0.0171 0.0040 1034 VAL 94 HG12 0.0111 0.0168 0.0035 1035 VAL 94 HG13 0.0164 0.0190 0.0034 1036 VAL 94 HG21 0.0060 0.0036 0.0013 1037 VAL 94 HG22 0.0020 0.0048 0.0020 1038 VAL 94 HG23 0.0079 -0.0025 -0.0002