1 ASP 28 N -0.0446 -0.0017 0.0258 2 ASP 28 CA -0.0359 -0.0029 0.0186 3 ASP 28 C -0.0331 0.0030 0.0132 4 ASP 28 O -0.0350 0.0025 0.0152 5 ASP 28 CB -0.0312 -0.0138 0.0195 6 ASP 28 CG -0.0222 -0.0157 0.0123 7 ASP 28 OD1 -0.0195 -0.0141 0.0092 8 ASP 28 OD2 -0.0176 -0.0194 0.0099 9 ASP 28 H -0.0467 -0.0058 0.0296 10 ASP 28 HA -0.0351 -0.0002 0.0165 11 ASP 28 HB2 -0.0333 -0.0179 0.0233 12 ASP 28 HB3 -0.0322 -0.0165 0.0217 13 PRO 29 N -0.0421 0.0014 0.0097 14 PRO 29 CA -0.0382 0.0056 0.0062 15 PRO 29 C -0.0307 -0.0023 0.0069 16 PRO 29 O -0.0237 -0.0076 0.0066 17 PRO 29 CB -0.0326 0.0139 -0.0001 18 PRO 29 CG -0.0363 0.0160 0.0003 19 PRO 29 CD -0.0392 0.0065 0.0061 20 PRO 29 HA -0.0445 0.0087 0.0072 21 PRO 29 HB2 -0.0244 0.0111 -0.0021 22 PRO 29 HB3 -0.0344 0.0204 -0.0026 23 PRO 29 HG2 -0.0302 0.0183 -0.0032 24 PRO 29 HG3 -0.0430 0.0219 0.0002 25 PRO 29 HD2 -0.0327 0.0021 0.0056 26 PRO 29 HD3 -0.0457 0.0083 0.0079 27 ASN 30 N -0.0216 -0.0135 0.0115 28 ASN 30 CA -0.0223 -0.0124 0.0099 29 ASN 30 C -0.0242 -0.0099 0.0064 30 ASN 30 O -0.0276 -0.0084 0.0066 31 ASN 30 CB -0.0246 -0.0128 0.0129 32 ASN 30 CG -0.0256 -0.0116 0.0115 33 ASN 30 OD1 -0.0235 -0.0126 0.0115 34 ASN 30 ND2 -0.0289 -0.0096 0.0104 35 ASN 30 H -0.0191 -0.0149 0.0120 36 ASN 30 HA -0.0196 -0.0132 0.0090 37 ASN 30 HB2 -0.0230 -0.0146 0.0151 38 ASN 30 HB3 -0.0271 -0.0122 0.0140 39 ASN 30 HD21 -0.0305 -0.0090 0.0105 40 ASN 30 HD22 -0.0296 -0.0089 0.0094 41 ALA 31 N -0.0191 -0.0077 -0.0037 42 ALA 31 CA -0.0192 -0.0049 -0.0056 43 ALA 31 C -0.0156 -0.0026 -0.0067 44 ALA 31 O -0.0126 -0.0031 -0.0060 45 ALA 31 CB -0.0197 -0.0060 -0.0049 46 ALA 31 H -0.0166 -0.0080 -0.0031 47 ALA 31 HA -0.0218 -0.0036 -0.0067 48 ALA 31 HB1 -0.0200 -0.0039 -0.0063 49 ALA 31 HB2 -0.0172 -0.0073 -0.0037 50 ALA 31 HB3 -0.0223 -0.0076 -0.0041 51 GLU 32 N -0.0117 0.0037 -0.0073 52 GLU 32 CA -0.0091 0.0078 -0.0065 53 GLU 32 C -0.0090 0.0090 -0.0068 54 GLU 32 O -0.0065 0.0117 -0.0057 55 GLU 32 CB -0.0101 0.0115 -0.0086 56 GLU 32 CG -0.0137 0.0125 -0.0121 57 GLU 32 CD -0.0145 0.0163 -0.0140 58 GLU 32 OE1 -0.0134 0.0202 -0.0145 59 GLU 32 OE2 -0.0161 0.0155 -0.0151 60 GLU 32 H -0.0140 0.0040 -0.0094 61 GLU 32 HA -0.0066 0.0072 -0.0041 62 GLU 32 HB2 -0.0081 0.0144 -0.0079 63 GLU 32 HB3 -0.0101 0.0105 -0.0083 64 GLU 32 HG2 -0.0158 0.0096 -0.0128 65 GLU 32 HG3 -0.0137 0.0134 -0.0124 66 PHE 33 N -0.0055 0.0067 -0.0042 67 PHE 33 CA -0.0054 0.0098 -0.0046 68 PHE 33 C -0.0034 0.0071 -0.0039 69 PHE 33 O -0.0027 0.0027 -0.0033 70 PHE 33 CB -0.0105 0.0114 -0.0055 71 PHE 33 CG -0.0141 0.0072 -0.0056 72 PHE 33 CD1 -0.0147 0.0048 -0.0054 73 PHE 33 CD2 -0.0169 0.0058 -0.0058 74 PHE 33 CE1 -0.0179 0.0010 -0.0054 75 PHE 33 CE2 -0.0201 0.0020 -0.0058 76 PHE 33 CZ -0.0206 -0.0004 -0.0056 77 PHE 33 H -0.0079 0.0041 -0.0042 78 PHE 33 HA -0.0032 0.0129 -0.0046 79 PHE 33 HB2 -0.0105 0.0133 -0.0058 80 PHE 33 HB3 -0.0118 0.0137 -0.0060 81 PHE 33 HD1 -0.0125 0.0059 -0.0052 82 PHE 33 HD2 -0.0165 0.0077 -0.0060 83 PHE 33 HE1 -0.0182 -0.0009 -0.0052 84 PHE 33 HE2 -0.0222 0.0009 -0.0060 85 PHE 33 HZ -0.0231 -0.0034 -0.0056 86 ASP 34 N -0.0028 0.0104 -0.0027 87 ASP 34 CA -0.0016 0.0112 -0.0035 88 ASP 34 C 0.0003 0.0118 -0.0028 89 ASP 34 O 0.0007 0.0113 -0.0011 90 ASP 34 CB -0.0018 0.0110 -0.0032 91 ASP 34 CG -0.0008 0.0119 -0.0042 92 ASP 34 OD1 0.0008 0.0124 -0.0037 93 ASP 34 OD2 -0.0015 0.0121 -0.0056 94 ASP 34 H -0.0030 0.0098 -0.0015 95 ASP 34 HA -0.0018 0.0117 -0.0049 96 ASP 34 HB2 -0.0032 0.0105 -0.0036 97 ASP 34 HB3 -0.0015 0.0106 -0.0018 98 PRO 35 N -0.0052 0.0060 0.0004 99 PRO 35 CA -0.0045 0.0074 0.0017 100 PRO 35 C -0.0021 0.0097 0.0022 101 PRO 35 O -0.0014 0.0109 0.0032 102 PRO 35 CB -0.0043 0.0063 -0.0002 103 PRO 35 CG -0.0033 0.0054 -0.0028 104 PRO 35 CD -0.0044 0.0047 -0.0024 105 PRO 35 HA -0.0059 0.0074 0.0035 106 PRO 35 HB2 -0.0030 0.0074 -0.0000 107 PRO 35 HB3 -0.0060 0.0051 0.0001 108 PRO 35 HG2 -0.0014 0.0066 -0.0034 109 PRO 35 HG3 -0.0038 0.0040 -0.0042 110 PRO 35 HD2 -0.0031 0.0051 -0.0035 111 PRO 35 HD3 -0.0060 0.0031 -0.0031 112 ASP 36 N 0.0064 0.0195 -0.0008 113 ASP 36 CA 0.0080 0.0226 -0.0010 114 ASP 36 C 0.0075 0.0186 0.0026 115 ASP 36 O 0.0101 0.0205 0.0054 116 ASP 36 CB 0.0060 0.0248 -0.0076 117 ASP 36 CG 0.0075 0.0279 -0.0080 118 ASP 36 OD1 0.0109 0.0329 -0.0070 119 ASP 36 OD2 0.0052 0.0252 -0.0095 120 ASP 36 H 0.0034 0.0166 -0.0034 121 ASP 36 HA 0.0112 0.0264 0.0011 122 ASP 36 HB2 0.0066 0.0279 -0.0099 123 ASP 36 HB3 0.0028 0.0211 -0.0097 124 LEU 37 N 0.0046 0.0070 0.0021 125 LEU 37 CA 0.0040 0.0036 0.0039 126 LEU 37 C 0.0069 0.0023 0.0047 127 LEU 37 O 0.0078 0.0039 0.0039 128 LEU 37 CB 0.0001 0.0029 0.0040 129 LEU 37 CG -0.0032 0.0030 0.0038 130 LEU 37 CD1 -0.0027 0.0005 0.0051 131 LEU 37 CD2 -0.0038 0.0065 0.0020 132 LEU 37 H 0.0036 0.0088 0.0012 133 LEU 37 HA 0.0043 0.0023 0.0045 134 LEU 37 HB2 -0.0004 0.0047 0.0031 135 LEU 37 HB3 0.0000 0.0004 0.0053 136 LEU 37 HG -0.0057 0.0022 0.0041 137 LEU 37 HD11 -0.0051 0.0007 0.0049 138 LEU 37 HD12 -0.0002 0.0012 0.0049 139 LEU 37 HD13 -0.0025 -0.0019 0.0064 140 LEU 37 HD21 -0.0061 0.0064 0.0019 141 LEU 37 HD22 -0.0044 0.0081 0.0011 142 LEU 37 HD23 -0.0013 0.0073 0.0017 143 PRO 38 N 0.0101 -0.0033 0.0039 144 PRO 38 CA 0.0135 -0.0050 0.0039 145 PRO 38 C 0.0125 -0.0050 0.0041 146 PRO 38 O 0.0093 -0.0062 0.0049 147 PRO 38 CB 0.0141 -0.0092 0.0052 148 PRO 38 CG 0.0121 -0.0091 0.0054 149 PRO 38 CD 0.0087 -0.0061 0.0050 150 PRO 38 HA 0.0163 -0.0034 0.0031 151 PRO 38 HB2 0.0126 -0.0111 0.0060 152 PRO 38 HB3 0.0173 -0.0100 0.0050 153 PRO 38 HG2 0.0110 -0.0119 0.0065 154 PRO 38 HG3 0.0143 -0.0083 0.0049 155 PRO 38 HD2 0.0059 -0.0074 0.0058 156 PRO 38 HD3 0.0083 -0.0046 0.0046 157 GLY 39 N 0.0128 -0.0041 0.0029 158 GLY 39 CA 0.0121 -0.0044 0.0030 159 GLY 39 C 0.0088 -0.0009 0.0022 160 GLY 39 O 0.0066 -0.0015 0.0024 161 GLY 39 H 0.0156 -0.0027 0.0024 162 GLY 39 HA2 0.0153 -0.0040 0.0028 163 GLY 39 HA3 0.0108 -0.0076 0.0040 164 GLY 40 N 0.0048 0.0056 0.0017 165 GLY 40 CA 0.0027 0.0074 0.0003 166 GLY 40 C 0.0001 0.0068 0.0013 167 GLY 40 O -0.0020 0.0081 0.0004 168 GLY 40 H 0.0065 0.0055 0.0016 169 GLY 40 HA2 0.0036 0.0085 -0.0009 170 GLY 40 HA3 0.0021 0.0080 -0.0002 171 GLY 41 N 0.0028 0.0009 0.0031 172 GLY 41 CA 0.0001 -0.0002 0.0037 173 GLY 41 C -0.0006 -0.0007 0.0039 174 GLY 41 O -0.0029 -0.0012 0.0044 175 GLY 41 H 0.0042 -0.0003 0.0031 176 GLY 41 HA2 0.0000 -0.0020 0.0041 177 GLY 41 HA3 -0.0014 0.0013 0.0037 178 LEU 42 N -0.0019 -0.0003 0.0013 179 LEU 42 CA -0.0037 0.0003 0.0017 180 LEU 42 C -0.0034 -0.0030 0.0036 181 LEU 42 O -0.0052 -0.0030 0.0044 182 LEU 42 CB -0.0019 0.0029 -0.0006 183 LEU 42 CG -0.0021 0.0064 -0.0028 184 LEU 42 CD1 -0.0001 0.0086 -0.0050 185 LEU 42 CD2 -0.0061 0.0082 -0.0023 186 LEU 42 H 0.0008 -0.0003 0.0002 187 LEU 42 HA -0.0066 0.0014 0.0022 188 LEU 42 HB2 0.0010 0.0017 -0.0011 189 LEU 42 HB3 -0.0033 0.0033 -0.0003 190 LEU 42 HG -0.0005 0.0059 -0.0031 191 LEU 42 HD11 -0.0003 0.0111 -0.0065 192 LEU 42 HD12 -0.0015 0.0090 -0.0047 193 LEU 42 HD13 0.0028 0.0074 -0.0054 194 LEU 42 HD21 -0.0077 0.0085 -0.0019 195 LEU 42 HD22 -0.0061 0.0106 -0.0038 196 LEU 42 HD23 -0.0073 0.0066 -0.0008 197 HIS 43 N 0.0071 -0.0117 0.0022 198 HIS 43 CA 0.0077 -0.0144 0.0030 199 HIS 43 C 0.0064 -0.0151 0.0025 200 HIS 43 O 0.0072 -0.0142 0.0027 201 HIS 43 CB 0.0106 -0.0146 0.0042 202 HIS 43 CG 0.0122 -0.0137 0.0047 203 HIS 43 ND1 0.0127 -0.0153 0.0052 204 HIS 43 CD2 0.0135 -0.0113 0.0049 205 HIS 43 CE1 0.0142 -0.0140 0.0056 206 HIS 43 NE2 0.0147 -0.0115 0.0054 207 HIS 43 H 0.0074 -0.0102 0.0021 208 HIS 43 HA 0.0070 -0.0158 0.0029 209 HIS 43 HB2 0.0112 -0.0136 0.0043 210 HIS 43 HB3 0.0108 -0.0167 0.0047 211 HIS 43 HD1 0.0119 -0.0171 0.0052 212 HIS 43 HD2 0.0136 -0.0095 0.0046 213 HIS 43 HE1 0.0149 -0.0148 0.0061 214 HIS 43 HE2 0.0155 -0.0100 0.0055 215 ARG 44 N 0.0080 -0.0105 0.0027 216 ARG 44 CA 0.0055 -0.0126 0.0031 217 ARG 44 C 0.0053 -0.0151 0.0026 218 ARG 44 O 0.0061 -0.0147 0.0024 219 ARG 44 CB 0.0027 -0.0110 0.0045 220 ARG 44 CG 0.0026 -0.0079 0.0053 221 ARG 44 CD -0.0002 -0.0065 0.0066 222 ARG 44 NE -0.0004 -0.0034 0.0075 223 ARG 44 CZ -0.0029 -0.0018 0.0087 224 ARG 44 NH1 -0.0053 -0.0031 0.0092 225 ARG 44 NH2 -0.0029 0.0010 0.0094 226 ARG 44 H 0.0083 -0.0096 0.0029 227 ARG 44 HA 0.0056 -0.0134 0.0029 228 ARG 44 HB2 0.0022 -0.0109 0.0047 229 ARG 44 HB3 0.0009 -0.0125 0.0048 230 ARG 44 HG2 0.0028 -0.0081 0.0052 231 ARG 44 HG3 0.0045 -0.0065 0.0049 232 ARG 44 HD2 -0.0005 -0.0065 0.0067 233 ARG 44 HD3 -0.0021 -0.0080 0.0069 234 ARG 44 HE 0.0014 -0.0024 0.0070 235 ARG 44 HH11 -0.0054 -0.0052 0.0088 236 ARG 44 HH12 -0.0072 -0.0020 0.0102 237 ARG 44 HH21 -0.0011 0.0020 0.0090 238 ARG 44 HH22 -0.0047 0.0022 0.0103 239 CYS 45 N 0.0081 -0.0118 0.0003 240 CYS 45 CA 0.0088 -0.0115 -0.0014 241 CYS 45 C 0.0087 -0.0116 -0.0005 242 CYS 45 O 0.0069 -0.0121 -0.0000 243 CYS 45 CB 0.0074 -0.0115 -0.0035 244 CYS 45 SG 0.0081 -0.0111 -0.0057 245 CYS 45 H 0.0066 -0.0123 0.0007 246 CYS 45 HA 0.0105 -0.0110 -0.0016 247 CYS 45 HB2 0.0078 -0.0114 -0.0042 248 CYS 45 HB3 0.0058 -0.0120 -0.0032 249 LEU 46 N 0.0024 -0.0114 -0.0005 250 LEU 46 CA 0.0027 -0.0114 -0.0003 251 LEU 46 C 0.0027 -0.0113 -0.0005 252 LEU 46 O 0.0027 -0.0114 -0.0003 253 LEU 46 CB 0.0032 -0.0113 -0.0002 254 LEU 46 CG 0.0033 -0.0115 0.0000 255 LEU 46 CD1 0.0038 -0.0114 0.0001 256 LEU 46 CD2 0.0032 -0.0119 0.0004 257 LEU 46 H 0.0026 -0.0112 -0.0006 258 LEU 46 HA 0.0026 -0.0117 -0.0000 259 LEU 46 HB2 0.0033 -0.0111 -0.0004 260 LEU 46 HB3 0.0034 -0.0114 -0.0000 261 LEU 46 HG 0.0031 -0.0114 -0.0001 262 LEU 46 HD11 0.0038 -0.0111 -0.0002 263 LEU 46 HD12 0.0038 -0.0115 0.0002 264 LEU 46 HD13 0.0040 -0.0114 0.0002 265 LEU 46 HD21 0.0028 -0.0120 0.0003 266 LEU 46 HD22 0.0034 -0.0119 0.0005 267 LEU 46 HD23 0.0032 -0.0120 0.0005 268 ALA 47 N 0.0053 -0.0041 -0.0054 269 ALA 47 CA 0.0056 -0.0033 -0.0055 270 ALA 47 C 0.0034 -0.0067 -0.0060 271 ALA 47 O 0.0039 -0.0070 -0.0053 272 ALA 47 CB 0.0051 0.0006 -0.0080 273 ALA 47 H 0.0045 -0.0024 -0.0071 274 ALA 47 HA 0.0081 -0.0030 -0.0032 275 ALA 47 HB1 0.0055 0.0013 -0.0079 276 ALA 47 HB2 0.0027 0.0004 -0.0103 277 ALA 47 HB3 0.0067 0.0030 -0.0076 278 CYS 48 N 0.0050 -0.0132 0.0011 279 CYS 48 CA 0.0032 -0.0156 0.0007 280 CYS 48 C 0.0025 -0.0166 0.0031 281 CYS 48 O 0.0010 -0.0187 0.0033 282 CYS 48 CB 0.0028 -0.0162 -0.0024 283 CYS 48 SG 0.0031 -0.0157 -0.0050 284 CYS 48 H 0.0059 -0.0120 0.0009 285 CYS 48 HA 0.0025 -0.0166 0.0011 286 CYS 48 HB2 0.0035 -0.0152 -0.0033 287 CYS 48 HB3 0.0014 -0.0181 -0.0026 288 ALA 49 N -0.0016 -0.0176 0.0029 289 ALA 49 CA -0.0025 -0.0169 0.0063 290 ALA 49 C -0.0030 -0.0179 0.0052 291 ALA 49 O -0.0046 -0.0183 0.0075 292 ALA 49 CB -0.0055 -0.0183 0.0091 293 ALA 49 H 0.0003 -0.0160 0.0025 294 ALA 49 HA -0.0008 -0.0145 0.0075 295 ALA 49 HB1 -0.0072 -0.0207 0.0079 296 ALA 49 HB2 -0.0051 -0.0175 0.0099 297 ALA 49 HB3 -0.0061 -0.0176 0.0116 298 ARG 50 N -0.0005 -0.0165 0.0047 299 ARG 50 CA 0.0020 -0.0165 0.0032 300 ARG 50 C 0.0048 -0.0133 0.0022 301 ARG 50 O 0.0058 -0.0123 0.0019 302 ARG 50 CB 0.0035 -0.0205 0.0014 303 ARG 50 CG 0.0008 -0.0239 0.0021 304 ARG 50 CD 0.0025 -0.0277 0.0002 305 ARG 50 NE 0.0000 -0.0311 0.0009 306 ARG 50 CZ 0.0008 -0.0348 -0.0004 307 ARG 50 NH1 0.0039 -0.0355 -0.0025 308 ARG 50 NH2 -0.0017 -0.0377 0.0004 309 ARG 50 H -0.0000 -0.0172 0.0042 310 ARG 50 HA 0.0008 -0.0161 0.0040 311 ARG 50 HB2 0.0046 -0.0209 0.0005 312 ARG 50 HB3 0.0054 -0.0203 0.0002 313 ARG 50 HG2 -0.0003 -0.0235 0.0029 314 ARG 50 HG3 -0.0011 -0.0242 0.0032 315 ARG 50 HD2 0.0037 -0.0281 -0.0006 316 ARG 50 HD3 0.0044 -0.0274 -0.0009 317 ARG 50 HE -0.0023 -0.0305 0.0025 318 ARG 50 HH11 0.0059 -0.0334 -0.0032 319 ARG 50 HH12 0.0046 -0.0383 -0.0035 320 ARG 50 HH21 -0.0041 -0.0373 0.0019 321 ARG 50 HH22 -0.0012 -0.0405 -0.0006 322 TYR 51 N 0.0030 -0.0168 0.0060 323 TYR 51 CA 0.0051 -0.0141 0.0053 324 TYR 51 C 0.0086 -0.0152 0.0041 325 TYR 51 O 0.0095 -0.0165 0.0038 326 TYR 51 CB 0.0043 -0.0110 0.0054 327 TYR 51 CG 0.0007 -0.0099 0.0066 328 TYR 51 CD1 -0.0015 -0.0113 0.0074 329 TYR 51 CD2 -0.0004 -0.0074 0.0070 330 TYR 51 CE1 -0.0047 -0.0103 0.0085 331 TYR 51 CE2 -0.0036 -0.0064 0.0080 332 TYR 51 CZ -0.0058 -0.0079 0.0088 333 TYR 51 OH -0.0090 -0.0068 0.0099 334 TYR 51 H 0.0029 -0.0172 0.0061 335 TYR 51 HA 0.0046 -0.0133 0.0054 336 TYR 51 HB2 0.0049 -0.0118 0.0052 337 TYR 51 HB3 0.0058 -0.0089 0.0049 338 TYR 51 HD1 -0.0007 -0.0132 0.0072 339 TYR 51 HD2 0.0013 -0.0063 0.0063 340 TYR 51 HE1 -0.0064 -0.0114 0.0091 341 TYR 51 HE2 -0.0045 -0.0045 0.0083 342 TYR 51 HH -0.0097 -0.0066 0.0101 343 PHE 52 N 0.0121 -0.0139 0.0030 344 PHE 52 CA 0.0131 -0.0140 0.0036 345 PHE 52 C 0.0140 -0.0134 0.0048 346 PHE 52 O 0.0143 -0.0135 0.0050 347 PHE 52 CB 0.0138 -0.0155 0.0030 348 PHE 52 CG 0.0130 -0.0162 0.0018 349 PHE 52 CD1 0.0123 -0.0166 0.0009 350 PHE 52 CD2 0.0128 -0.0164 0.0015 351 PHE 52 CE1 0.0116 -0.0173 -0.0002 352 PHE 52 CE2 0.0120 -0.0170 0.0004 353 PHE 52 CZ 0.0114 -0.0175 -0.0005 354 PHE 52 H 0.0124 -0.0143 0.0028 355 PHE 52 HA 0.0126 -0.0136 0.0035 356 PHE 52 HB2 0.0143 -0.0160 0.0031 357 PHE 52 HB3 0.0145 -0.0156 0.0035 358 PHE 52 HD1 0.0124 -0.0165 0.0011 359 PHE 52 HD2 0.0133 -0.0160 0.0022 360 PHE 52 HE1 0.0111 -0.0176 -0.0009 361 PHE 52 HE2 0.0119 -0.0172 0.0002 362 PHE 52 HZ 0.0108 -0.0180 -0.0014 363 ILE 53 N 0.0188 -0.0148 0.0043 364 ILE 53 CA 0.0207 -0.0122 0.0024 365 ILE 53 C 0.0202 -0.0115 0.0021 366 ILE 53 O 0.0202 -0.0087 0.0006 367 ILE 53 CB 0.0247 -0.0128 0.0018 368 ILE 53 CG1 0.0263 -0.0159 0.0032 369 ILE 53 CG2 0.0252 -0.0128 0.0017 370 ILE 53 CD1 0.0303 -0.0166 0.0027 371 ILE 53 H 0.0203 -0.0167 0.0050 372 ILE 53 HA 0.0196 -0.0101 0.0015 373 ILE 53 HB 0.0259 -0.0108 0.0004 374 ILE 53 HG12 0.0251 -0.0179 0.0046 375 ILE 53 HG13 0.0259 -0.0157 0.0032 376 ILE 53 HG21 0.0239 -0.0146 0.0030 377 ILE 53 HG22 0.0242 -0.0105 0.0006 378 ILE 53 HG23 0.0280 -0.0132 0.0013 379 ILE 53 HD11 0.0316 -0.0147 0.0013 380 ILE 53 HD12 0.0312 -0.0188 0.0037 381 ILE 53 HD13 0.0308 -0.0168 0.0026 382 ASP 54 N 0.0181 -0.0154 0.0043 383 ASP 54 CA 0.0172 -0.0167 0.0051 384 ASP 54 C 0.0162 -0.0181 0.0056 385 ASP 54 O 0.0165 -0.0180 0.0059 386 ASP 54 CB 0.0182 -0.0166 0.0068 387 ASP 54 CG 0.0174 -0.0180 0.0077 388 ASP 54 OD1 0.0171 -0.0180 0.0070 389 ASP 54 OD2 0.0171 -0.0191 0.0090 390 ASP 54 H 0.0184 -0.0153 0.0047 391 ASP 54 HA 0.0166 -0.0168 0.0041 392 ASP 54 HB2 0.0190 -0.0156 0.0065 393 ASP 54 HB3 0.0188 -0.0166 0.0079 394 SER 55 N 0.0145 -0.0198 0.0074 395 SER 55 CA 0.0143 -0.0220 0.0063 396 SER 55 C 0.0144 -0.0215 0.0080 397 SER 55 O 0.0143 -0.0219 0.0067 398 SER 55 CB 0.0141 -0.0253 0.0066 399 SER 55 OG 0.0140 -0.0276 0.0057 400 SER 55 H 0.0145 -0.0206 0.0084 401 SER 55 HA 0.0141 -0.0215 0.0038 402 SER 55 HB2 0.0140 -0.0255 0.0051 403 SER 55 HB3 0.0143 -0.0258 0.0090 404 SER 55 HG 0.0140 -0.0282 0.0075 405 THR 56 N 0.0128 -0.0205 0.0079 406 THR 56 CA 0.0122 -0.0186 0.0100 407 THR 56 C 0.0133 -0.0152 0.0089 408 THR 56 O 0.0134 -0.0139 0.0090 409 THR 56 CB 0.0108 -0.0183 0.0131 410 THR 56 OG1 0.0099 -0.0215 0.0140 411 THR 56 CG2 0.0100 -0.0167 0.0155 412 THR 56 H 0.0124 -0.0212 0.0087 413 THR 56 HA 0.0119 -0.0198 0.0101 414 THR 56 HB 0.0111 -0.0168 0.0130 415 THR 56 HG1 0.0103 -0.0220 0.0130 416 THR 56 HG21 0.0091 -0.0166 0.0176 417 THR 56 HG22 0.0098 -0.0182 0.0155 418 THR 56 HG23 0.0107 -0.0143 0.0148 419 ASN 57 N 0.0162 -0.0170 0.0078 420 ASN 57 CA 0.0173 -0.0150 0.0072 421 ASN 57 C 0.0174 -0.0154 0.0055 422 ASN 57 O 0.0179 -0.0143 0.0057 423 ASN 57 CB 0.0182 -0.0136 0.0063 424 ASN 57 CG 0.0185 -0.0123 0.0081 425 ASN 57 OD1 0.0192 -0.0106 0.0089 426 ASN 57 ND2 0.0180 -0.0132 0.0089 427 ASN 57 H 0.0162 -0.0173 0.0072 428 ASN 57 HA 0.0175 -0.0142 0.0088 429 ASN 57 HB2 0.0178 -0.0146 0.0053 430 ASN 57 HB3 0.0188 -0.0125 0.0051 431 ASN 57 HD21 0.0174 -0.0146 0.0083 432 ASN 57 HD22 0.0182 -0.0124 0.0101 433 LEU 58 N 0.0142 -0.0148 0.0031 434 LEU 58 CA 0.0145 -0.0152 0.0015 435 LEU 58 C 0.0148 -0.0160 0.0011 436 LEU 58 O 0.0147 -0.0155 -0.0001 437 LEU 58 CB 0.0149 -0.0162 0.0012 438 LEU 58 CG 0.0153 -0.0170 -0.0003 439 LEU 58 CD1 0.0158 -0.0185 -0.0004 440 LEU 58 CD2 0.0151 -0.0160 -0.0017 441 LEU 58 H 0.0143 -0.0153 0.0039 442 LEU 58 HA 0.0142 -0.0142 0.0008 443 LEU 58 HB2 0.0146 -0.0156 0.0013 444 LEU 58 HB3 0.0151 -0.0171 0.0022 445 LEU 58 HG 0.0154 -0.0174 -0.0005 446 LEU 58 HD11 0.0161 -0.0190 -0.0015 447 LEU 58 HD12 0.0157 -0.0182 -0.0002 448 LEU 58 HD13 0.0160 -0.0192 0.0006 449 LEU 58 HD21 0.0149 -0.0156 -0.0016 450 LEU 58 HD22 0.0154 -0.0166 -0.0028 451 LEU 58 HD23 0.0147 -0.0150 -0.0017 452 LYS 59 N 0.0154 -0.0153 0.0017 453 LYS 59 CA 0.0142 -0.0132 0.0030 454 LYS 59 C 0.0134 -0.0081 0.0050 455 LYS 59 O 0.0143 -0.0052 0.0051 456 LYS 59 CB 0.0107 -0.0164 0.0045 457 LYS 59 CG 0.0066 -0.0170 0.0070 458 LYS 59 CD 0.0034 -0.0205 0.0083 459 LYS 59 CE 0.0022 -0.0187 0.0095 460 LYS 59 NZ 0.0002 -0.0144 0.0120 461 LYS 59 H 0.0138 -0.0181 0.0020 462 LYS 59 HA 0.0169 -0.0131 0.0013 463 LYS 59 HB2 0.0101 -0.0149 0.0053 464 LYS 59 HB3 0.0115 -0.0199 0.0030 465 LYS 59 HG2 0.0072 -0.0184 0.0063 466 LYS 59 HG3 0.0056 -0.0136 0.0087 467 LYS 59 HD2 0.0047 -0.0238 0.0065 468 LYS 59 HD3 0.0008 -0.0212 0.0098 469 LYS 59 HE2 0.0049 -0.0179 0.0080 470 LYS 59 HE3 0.0001 -0.0215 0.0102 471 LYS 59 HZ1 -0.0025 -0.0151 0.0137 472 LYS 59 HZ2 -0.0006 -0.0133 0.0128 473 LYS 59 HZ3 0.0020 -0.0116 0.0116 474 THR 60 N 0.0134 -0.0104 0.0042 475 THR 60 CA 0.0148 -0.0058 0.0081 476 THR 60 C 0.0178 -0.0022 0.0050 477 THR 60 O 0.0186 0.0005 0.0073 478 THR 60 CB 0.0154 -0.0031 0.0110 479 THR 60 OG1 0.0125 -0.0065 0.0141 480 THR 60 CG2 0.0168 0.0017 0.0151 481 THR 60 H 0.0133 -0.0110 0.0035 482 THR 60 HA 0.0131 -0.0071 0.0113 483 THR 60 HB 0.0171 -0.0020 0.0077 484 THR 60 HG1 0.0120 -0.0091 0.0114 485 THR 60 HG21 0.0173 0.0036 0.0170 486 THR 60 HG22 0.0152 0.0006 0.0184 487 THR 60 HG23 0.0190 0.0043 0.0129 488 HIS 61 N 0.0146 -0.0062 -0.0020 489 HIS 61 CA 0.0139 -0.0054 -0.0039 490 HIS 61 C 0.0144 -0.0066 -0.0057 491 HIS 61 O 0.0138 -0.0059 -0.0072 492 HIS 61 CB 0.0136 -0.0048 -0.0041 493 HIS 61 CG 0.0132 -0.0045 -0.0062 494 HIS 61 ND1 0.0123 -0.0031 -0.0072 495 HIS 61 CD2 0.0136 -0.0055 -0.0074 496 HIS 61 CE1 0.0122 -0.0033 -0.0090 497 HIS 61 NE2 0.0130 -0.0047 -0.0092 498 HIS 61 H 0.0148 -0.0065 -0.0013 499 HIS 61 HA 0.0133 -0.0043 -0.0038 500 HIS 61 HB2 0.0130 -0.0036 -0.0032 501 HIS 61 HB3 0.0142 -0.0058 -0.0035 502 HIS 61 HD1 0.0118 -0.0021 -0.0067 503 HIS 61 HD2 0.0143 -0.0067 -0.0071 504 HIS 61 HE1 0.0117 -0.0025 -0.0103 505 PHE 62 N 0.0144 0.0018 -0.0027 506 PHE 62 CA 0.0152 0.0013 -0.0042 507 PHE 62 C 0.0144 0.0025 -0.0025 508 PHE 62 O 0.0148 0.0021 -0.0034 509 PHE 62 CB 0.0154 -0.0020 -0.0050 510 PHE 62 CG 0.0159 -0.0036 -0.0064 511 PHE 62 CD1 0.0172 -0.0025 -0.0088 512 PHE 62 CD2 0.0152 -0.0063 -0.0053 513 PHE 62 CE1 0.0177 -0.0039 -0.0100 514 PHE 62 CE2 0.0157 -0.0078 -0.0065 515 PHE 62 CZ 0.0170 -0.0066 -0.0089 516 PHE 62 H 0.0138 0.0002 -0.0015 517 PHE 62 HA 0.0161 0.0027 -0.0060 518 PHE 62 HB2 0.0144 -0.0034 -0.0033 519 PHE 62 HB3 0.0161 -0.0019 -0.0066 520 PHE 62 HD1 0.0177 -0.0004 -0.0096 521 PHE 62 HD2 0.0143 -0.0072 -0.0035 522 PHE 62 HE1 0.0186 -0.0030 -0.0119 523 PHE 62 HE2 0.0152 -0.0098 -0.0056 524 PHE 62 HZ 0.0173 -0.0079 -0.0097 525 ARG 63 N 0.0180 0.0037 -0.0072 526 ARG 63 CA 0.0174 0.0050 0.0048 527 ARG 63 C 0.0224 0.0128 0.0046 528 ARG 63 O 0.0229 0.0152 0.0141 529 ARG 63 CB 0.0180 0.0078 0.0151 530 ARG 63 CG 0.0122 -0.0009 0.0171 531 ARG 63 CD 0.0131 0.0023 0.0274 532 ARG 63 NE 0.0136 0.0051 0.0391 533 ARG 63 CZ 0.0132 0.0066 0.0500 534 ARG 63 NH1 0.0120 0.0049 0.0511 535 ARG 63 NH2 0.0140 0.0096 0.0599 536 ARG 63 H 0.0202 0.0070 -0.0085 537 ARG 63 HA 0.0124 -0.0026 0.0063 538 ARG 63 HB2 0.0227 0.0148 0.0128 539 ARG 63 HB3 0.0181 0.0095 0.0235 540 ARG 63 HG2 0.0076 -0.0077 0.0197 541 ARG 63 HG3 0.0121 -0.0027 0.0087 542 ARG 63 HD2 0.0087 -0.0043 0.0287 543 ARG 63 HD3 0.0176 0.0089 0.0247 544 ARG 63 HE 0.0143 0.0062 0.0385 545 ARG 63 HH11 0.0113 0.0024 0.0438 546 ARG 63 HH12 0.0118 0.0059 0.0592 547 ARG 63 HH21 0.0149 0.0108 0.0594 548 ARG 63 HH22 0.0138 0.0109 0.0684 549 SER 64 N 0.0189 0.0107 0.0026 550 SER 64 CA 0.0184 0.0122 0.0002 551 SER 64 C 0.0176 0.0085 -0.0023 552 SER 64 O 0.0168 0.0072 -0.0052 553 SER 64 CB 0.0178 0.0156 -0.0026 554 SER 64 OG 0.0184 0.0187 -0.0005 555 SER 64 H 0.0187 0.0111 0.0016 556 SER 64 HA 0.0189 0.0133 0.0021 557 SER 64 HB2 0.0171 0.0142 -0.0049 558 SER 64 HB3 0.0175 0.0171 -0.0040 559 SER 64 HG 0.0189 0.0203 0.0011 560 LYS 65 N 0.0203 0.0068 0.0001 561 LYS 65 CA 0.0195 -0.0006 -0.0045 562 LYS 65 C 0.0117 -0.0003 -0.0103 563 LYS 65 O 0.0102 -0.0038 -0.0133 564 LYS 65 CB 0.0237 -0.0083 -0.0053 565 LYS 65 CG 0.0224 -0.0084 -0.0064 566 LYS 65 CD 0.0148 -0.0082 -0.0122 567 LYS 65 CE 0.0138 -0.0084 -0.0130 568 LYS 65 NZ 0.0064 -0.0077 -0.0184 569 LYS 65 H 0.0225 0.0066 0.0018 570 LYS 65 HA 0.0219 -0.0009 -0.0027 571 LYS 65 HB2 0.0223 -0.0133 -0.0091 572 LYS 65 HB3 0.0293 -0.0093 -0.0014 573 LYS 65 HG2 0.0259 -0.0138 -0.0064 574 LYS 65 HG3 0.0236 -0.0033 -0.0027 575 LYS 65 HD2 0.0111 -0.0029 -0.0122 576 LYS 65 HD3 0.0137 -0.0134 -0.0158 577 LYS 65 HE2 0.0173 -0.0139 -0.0133 578 LYS 65 HE3 0.0154 -0.0034 -0.0091 579 LYS 65 HZ1 0.0046 -0.0123 -0.0222 580 LYS 65 HZ2 0.0029 -0.0023 -0.0183 581 LYS 65 HZ3 0.0059 -0.0080 -0.0189 582 ASP 66 N 0.0108 -0.0002 -0.0158 583 ASP 66 CA 0.0024 0.0003 -0.0218 584 ASP 66 C 0.0002 0.0048 -0.0184 585 ASP 66 O -0.0039 0.0034 -0.0230 586 ASP 66 CB -0.0057 0.0039 -0.0239 587 ASP 66 CG -0.0142 0.0032 -0.0312 588 ASP 66 OD1 -0.0150 -0.0025 -0.0386 589 ASP 66 OD2 -0.0202 0.0085 -0.0299 590 ASP 66 H 0.0103 0.0028 -0.0128 591 ASP 66 HA 0.0037 -0.0056 -0.0275 592 ASP 66 HB2 -0.0034 0.0012 -0.0253 593 ASP 66 HB3 -0.0075 0.0099 -0.0184 594 HIS 67 N 0.0083 0.0069 -0.0115 595 HIS 67 CA 0.0082 0.0070 -0.0116 596 HIS 67 C 0.0082 0.0065 -0.0118 597 HIS 67 O 0.0081 0.0065 -0.0122 598 HIS 67 CB 0.0083 0.0072 -0.0112 599 HIS 67 CG 0.0083 0.0074 -0.0113 600 HIS 67 ND1 0.0081 0.0076 -0.0118 601 HIS 67 CD2 0.0084 0.0075 -0.0110 602 HIS 67 CE1 0.0081 0.0078 -0.0117 603 HIS 67 NE2 0.0082 0.0078 -0.0113 604 HIS 67 H 0.0084 0.0070 -0.0111 605 HIS 67 HA 0.0081 0.0072 -0.0119 606 HIS 67 HB2 0.0083 0.0076 -0.0111 607 HIS 67 HB3 0.0085 0.0070 -0.0109 608 HIS 67 HD1 0.0080 0.0075 -0.0121 609 HIS 67 HD2 0.0085 0.0074 -0.0107 610 HIS 67 HE1 0.0079 0.0080 -0.0120 611 LYS 68 N 0.0139 0.0094 -0.0090 612 LYS 68 CA 0.0124 0.0068 -0.0097 613 LYS 68 C 0.0103 0.0039 -0.0109 614 LYS 68 O 0.0082 0.0023 -0.0126 615 LYS 68 CB 0.0143 0.0052 -0.0070 616 LYS 68 CG 0.0165 0.0082 -0.0056 617 LYS 68 CD 0.0184 0.0065 -0.0029 618 LYS 68 CE 0.0198 0.0044 -0.0006 619 LYS 68 NZ 0.0217 0.0029 0.0022 620 LYS 68 H 0.0157 0.0095 -0.0070 621 LYS 68 HA 0.0114 0.0082 -0.0113 622 LYS 68 HB2 0.0151 0.0037 -0.0054 623 LYS 68 HB3 0.0132 0.0034 -0.0074 624 LYS 68 HG2 0.0158 0.0101 -0.0072 625 LYS 68 HG3 0.0176 0.0100 -0.0051 626 LYS 68 HD2 0.0174 0.0046 -0.0033 627 LYS 68 HD3 0.0199 0.0086 -0.0020 628 LYS 68 HE2 0.0207 0.0063 -0.0002 629 LYS 68 HE3 0.0183 0.0022 -0.0014 630 LYS 68 HZ1 0.0209 0.0011 0.0019 631 LYS 68 HZ2 0.0227 0.0016 0.0037 632 LYS 68 HZ3 0.0232 0.0051 0.0029 633 LYS 69 N 0.0137 0.0015 -0.0153 634 LYS 69 CA 0.0099 -0.0035 -0.0232 635 LYS 69 C 0.0009 -0.0012 -0.0189 636 LYS 69 O 0.0017 -0.0024 -0.0209 637 LYS 69 CB 0.0042 -0.0086 -0.0311 638 LYS 69 CG -0.0036 -0.0136 -0.0386 639 LYS 69 CD -0.0093 -0.0176 -0.0447 640 LYS 69 CE -0.0182 -0.0227 -0.0524 641 LYS 69 NZ -0.0235 -0.0260 -0.0574 642 LYS 69 H 0.0126 0.0008 -0.0163 643 LYS 69 HA 0.0175 -0.0054 -0.0266 644 LYS 69 HB2 0.0112 -0.0110 -0.0353 645 LYS 69 HB3 -0.0011 -0.0063 -0.0271 646 LYS 69 HG2 -0.0101 -0.0111 -0.0342 647 LYS 69 HG3 0.0016 -0.0164 -0.0435 648 LYS 69 HD2 -0.0022 -0.0198 -0.0487 649 LYS 69 HD3 -0.0137 -0.0145 -0.0395 650 LYS 69 HE2 -0.0250 -0.0206 -0.0486 651 LYS 69 HE3 -0.0136 -0.0260 -0.0581 652 LYS 69 HZ1 -0.0300 -0.0295 -0.0626 653 LYS 69 HZ2 -0.0276 -0.0227 -0.0519 654 LYS 69 HZ3 -0.0169 -0.0279 -0.0609 655 ARG 70 N -0.0012 -0.0013 -0.0195 656 ARG 70 CA -0.0073 0.0005 -0.0166 657 ARG 70 C -0.0060 0.0054 -0.0132 658 ARG 70 O -0.0098 0.0062 -0.0117 659 ARG 70 CB -0.0111 0.0017 -0.0147 660 ARG 70 CG -0.0179 0.0030 -0.0121 661 ARG 70 CD -0.0220 -0.0016 -0.0146 662 ARG 70 NE -0.0284 -0.0004 -0.0121 663 ARG 70 CZ -0.0319 -0.0024 -0.0128 664 ARG 70 NH1 -0.0294 -0.0058 -0.0159 665 ARG 70 NH2 -0.0377 -0.0011 -0.0103 666 ARG 70 H 0.0003 -0.0008 -0.0195 667 ARG 70 HA -0.0101 -0.0028 -0.0184 668 ARG 70 HB2 -0.0114 -0.0015 -0.0172 669 ARG 70 HB3 -0.0084 0.0052 -0.0128 670 ARG 70 HG2 -0.0203 0.0038 -0.0109 671 ARG 70 HG3 -0.0175 0.0065 -0.0095 672 ARG 70 HD2 -0.0195 -0.0024 -0.0158 673 ARG 70 HD3 -0.0225 -0.0051 -0.0171 674 ARG 70 HE -0.0303 0.0021 -0.0097 675 ARG 70 HH11 -0.0250 -0.0070 -0.0179 676 ARG 70 HH12 -0.0319 -0.0073 -0.0165 677 ARG 70 HH21 -0.0397 0.0014 -0.0079 678 ARG 70 HH22 -0.0405 -0.0025 -0.0107 679 LEU 71 N 0.0017 0.0064 -0.0100 680 LEU 71 CA 0.0016 0.0090 -0.0093 681 LEU 71 C 0.0011 0.0091 -0.0090 682 LEU 71 O -0.0001 0.0107 -0.0080 683 LEU 71 CB 0.0040 0.0106 -0.0103 684 LEU 71 CG 0.0047 0.0107 -0.0107 685 LEU 71 CD1 0.0070 0.0125 -0.0116 686 LEU 71 CD2 0.0029 0.0116 -0.0094 687 LEU 71 H 0.0032 0.0058 -0.0109 688 LEU 71 HA 0.0003 0.0099 -0.0084 689 LEU 71 HB2 0.0053 0.0098 -0.0112 690 LEU 71 HB3 0.0039 0.0125 -0.0098 691 LEU 71 HG 0.0051 0.0088 -0.0113 692 LEU 71 HD11 0.0068 0.0145 -0.0110 693 LEU 71 HD12 0.0084 0.0118 -0.0125 694 LEU 71 HD13 0.0076 0.0125 -0.0119 695 LEU 71 HD21 0.0013 0.0103 -0.0088 696 LEU 71 HD22 0.0025 0.0136 -0.0087 697 LEU 71 HD23 0.0035 0.0118 -0.0098 698 LYS 72 N -0.0012 0.0070 -0.0152 699 LYS 72 CA -0.0027 0.0116 -0.0123 700 LYS 72 C 0.0016 0.0122 -0.0081 701 LYS 72 O 0.0015 0.0142 -0.0064 702 LYS 72 CB -0.0055 0.0151 -0.0115 703 LYS 72 CG -0.0073 0.0200 -0.0086 704 LYS 72 CD -0.0103 0.0233 -0.0081 705 LYS 72 CE -0.0122 0.0282 -0.0053 706 LYS 72 NZ -0.0152 0.0314 -0.0050 707 LYS 72 H -0.0019 0.0067 -0.0161 708 LYS 72 HA -0.0049 0.0119 -0.0139 709 LYS 72 HB2 -0.0084 0.0145 -0.0145 710 LYS 72 HB3 -0.0033 0.0147 -0.0100 711 LYS 72 HG2 -0.0044 0.0207 -0.0054 712 LYS 72 HG3 -0.0094 0.0205 -0.0100 713 LYS 72 HD2 -0.0132 0.0225 -0.0113 714 LYS 72 HD3 -0.0082 0.0228 -0.0067 715 LYS 72 HE2 -0.0093 0.0289 -0.0021 716 LYS 72 HE3 -0.0141 0.0285 -0.0066 717 LYS 72 HZ1 -0.0134 0.0311 -0.0037 718 LYS 72 HZ2 -0.0181 0.0307 -0.0080 719 LYS 72 HZ3 -0.0165 0.0347 -0.0030 720 GLN 73 N -0.0039 0.0082 -0.0117 721 GLN 73 CA -0.0083 0.0063 -0.0100 722 GLN 73 C -0.0106 0.0093 -0.0039 723 GLN 73 O -0.0118 0.0100 -0.0017 724 GLN 73 CB -0.0130 0.0016 -0.0122 725 GLN 73 CG -0.0112 -0.0017 -0.0183 726 GLN 73 CD -0.0159 -0.0064 -0.0203 727 GLN 73 OE1 -0.0195 -0.0069 -0.0175 728 GLN 73 NE2 -0.0158 -0.0098 -0.0249 729 GLN 73 H -0.0044 0.0066 -0.0134 730 GLN 73 HA -0.0067 0.0062 -0.0118 731 GLN 73 HB2 -0.0145 0.0017 -0.0105 732 GLN 73 HB3 -0.0163 0.0003 -0.0108 733 GLN 73 HG2 -0.0099 -0.0020 -0.0200 734 GLN 73 HG3 -0.0078 -0.0004 -0.0197 735 GLN 73 HE21 -0.0128 -0.0091 -0.0269 736 GLN 73 HE22 -0.0187 -0.0128 -0.0264 737 LEU 74 N -0.0095 0.0074 -0.0074 738 LEU 74 CA -0.0111 0.0093 -0.0030 739 LEU 74 C -0.0085 0.0139 -0.0012 740 LEU 74 O -0.0097 0.0159 0.0026 741 LEU 74 CB -0.0123 0.0083 -0.0025 742 LEU 74 CG -0.0145 0.0097 0.0021 743 LEU 74 CD1 -0.0179 0.0079 0.0047 744 LEU 74 CD2 -0.0154 0.0085 0.0020 745 LEU 74 H -0.0085 0.0067 -0.0096 746 LEU 74 HA -0.0135 0.0081 -0.0012 747 LEU 74 HB2 -0.0138 0.0051 -0.0041 748 LEU 74 HB3 -0.0098 0.0098 -0.0042 749 LEU 74 HG -0.0129 0.0129 0.0036 750 LEU 74 HD11 -0.0194 0.0088 0.0079 751 LEU 74 HD12 -0.0196 0.0046 0.0032 752 LEU 74 HD13 -0.0172 0.0089 0.0049 753 LEU 74 HD21 -0.0170 0.0053 0.0005 754 LEU 74 HD22 -0.0170 0.0095 0.0052 755 LEU 74 HD23 -0.0130 0.0099 0.0002 756 SER 75 N -0.0060 0.0145 -0.0041 757 SER 75 CA -0.0065 0.0174 -0.0044 758 SER 75 C -0.0061 0.0183 -0.0061 759 SER 75 O -0.0066 0.0205 -0.0061 760 SER 75 CB -0.0077 0.0186 -0.0017 761 SER 75 OG -0.0082 0.0213 -0.0020 762 SER 75 H -0.0055 0.0136 -0.0050 763 SER 75 HA -0.0063 0.0180 -0.0053 764 SER 75 HB2 -0.0079 0.0179 -0.0007 765 SER 75 HB3 -0.0079 0.0179 -0.0008 766 SER 75 HG -0.0088 0.0219 -0.0008 767 VAL 76 N -0.0039 0.0166 -0.0041 768 VAL 76 CA -0.0029 0.0182 -0.0054 769 VAL 76 C -0.0019 0.0201 -0.0068 770 VAL 76 O -0.0023 0.0225 -0.0070 771 VAL 76 CB -0.0015 0.0165 -0.0066 772 VAL 76 CG1 -0.0004 0.0181 -0.0080 773 VAL 76 CG2 -0.0024 0.0146 -0.0052 774 VAL 76 H -0.0035 0.0147 -0.0040 775 VAL 76 HA -0.0039 0.0193 -0.0046 776 VAL 76 HB -0.0005 0.0153 -0.0073 777 VAL 76 HG11 0.0006 0.0169 -0.0088 778 VAL 76 HG12 -0.0014 0.0193 -0.0072 779 VAL 76 HG13 0.0003 0.0194 -0.0090 780 VAL 76 HG21 -0.0014 0.0133 -0.0060 781 VAL 76 HG22 -0.0031 0.0133 -0.0042 782 VAL 76 HG23 -0.0034 0.0157 -0.0044 783 GLU 77 N -0.0046 0.0171 -0.0124 784 GLU 77 CA -0.0053 0.0176 -0.0128 785 GLU 77 C -0.0058 0.0160 -0.0104 786 GLU 77 O -0.0037 0.0148 -0.0094 787 GLU 77 CB -0.0030 0.0184 -0.0148 788 GLU 77 CG 0.0002 0.0173 -0.0143 789 GLU 77 CD 0.0024 0.0181 -0.0162 790 GLU 77 OE1 0.0030 0.0194 -0.0183 791 GLU 77 OE2 0.0035 0.0174 -0.0156 792 GLU 77 H -0.0034 0.0159 -0.0111 793 GLU 77 HA -0.0074 0.0186 -0.0135 794 GLU 77 HB2 -0.0035 0.0185 -0.0148 795 GLU 77 HB3 -0.0032 0.0197 -0.0166 796 GLU 77 HG2 0.0008 0.0171 -0.0143 797 GLU 77 HG3 0.0004 0.0159 -0.0125 798 PRO 78 N -0.0129 0.0171 -0.0109 799 PRO 78 CA -0.0143 0.0173 -0.0082 800 PRO 78 C -0.0157 0.0173 -0.0084 801 PRO 78 O -0.0173 0.0172 -0.0103 802 PRO 78 CB -0.0165 0.0173 -0.0079 803 PRO 78 CG -0.0156 0.0172 -0.0099 804 PRO 78 CD -0.0141 0.0170 -0.0123 805 PRO 78 HA -0.0128 0.0173 -0.0064 806 PRO 78 HB2 -0.0185 0.0173 -0.0084 807 PRO 78 HB3 -0.0165 0.0174 -0.0058 808 PRO 78 HG2 -0.0174 0.0172 -0.0107 809 PRO 78 HG3 -0.0141 0.0172 -0.0089 810 PRO 78 HD2 -0.0157 0.0170 -0.0139 811 PRO 78 HD3 -0.0125 0.0170 -0.0132 812 TYR 79 N -0.0195 0.0165 -0.0027 813 TYR 79 CA -0.0219 0.0157 0.0007 814 TYR 79 C -0.0178 0.0171 -0.0040 815 TYR 79 O -0.0205 0.0159 -0.0105 816 TYR 79 CB -0.0308 0.0122 0.0011 817 TYR 79 CG -0.0349 0.0108 0.0068 818 TYR 79 CD1 -0.0374 0.0097 0.0038 819 TYR 79 CD2 -0.0361 0.0105 0.0152 820 TYR 79 CE1 -0.0409 0.0085 0.0091 821 TYR 79 CE2 -0.0397 0.0093 0.0205 822 TYR 79 CZ -0.0421 0.0083 0.0174 823 TYR 79 OH -0.0457 0.0070 0.0227 824 TYR 79 H -0.0162 0.0179 0.0009 825 TYR 79 HA -0.0196 0.0167 0.0070 826 TYR 79 HB2 -0.0332 0.0111 -0.0052 827 TYR 79 HB3 -0.0321 0.0118 0.0033 828 TYR 79 HD1 -0.0364 0.0099 -0.0027 829 TYR 79 HD2 -0.0342 0.0114 0.0176 830 TYR 79 HE1 -0.0428 0.0077 0.0066 831 TYR 79 HE2 -0.0406 0.0091 0.0270 832 TYR 79 HH -0.0424 0.0084 0.0276 833 SER 80 N -0.0031 0.0121 -0.0023 834 SER 80 CA 0.0008 0.0121 -0.0063 835 SER 80 C -0.0000 0.0122 -0.0050 836 SER 80 O -0.0044 0.0121 -0.0018 837 SER 80 CB 0.0075 0.0126 -0.0052 838 SER 80 OG 0.0117 0.0126 -0.0093 839 SER 80 H -0.0018 0.0124 0.0020 840 SER 80 HA -0.0004 0.0119 -0.0110 841 SER 80 HB2 0.0078 0.0125 -0.0057 842 SER 80 HB3 0.0088 0.0128 -0.0005 843 SER 80 HG 0.0113 0.0124 -0.0131 844 GLN 81 N 0.0115 0.0053 -0.0007 845 GLN 81 CA 0.0084 0.0055 0.0013 846 GLN 81 C 0.0082 0.0091 0.0049 847 GLN 81 O 0.0113 0.0116 0.0054 848 GLN 81 CB 0.0094 0.0047 0.0000 849 GLN 81 CG 0.0059 0.0044 0.0017 850 GLN 81 CD 0.0068 0.0039 0.0007 851 GLN 81 OE1 0.0103 0.0052 -0.0001 852 GLN 81 NE2 0.0037 0.0021 0.0008 853 GLN 81 H 0.0142 0.0052 -0.0024 854 GLN 81 HA 0.0055 0.0036 0.0012 855 GLN 81 HB2 0.0100 0.0024 -0.0026 856 GLN 81 HB3 0.0120 0.0068 0.0004 857 GLN 81 HG2 0.0051 0.0067 0.0044 858 GLN 81 HG3 0.0032 0.0022 0.0012 859 GLN 81 HE21 0.0010 0.0011 0.0015 860 GLN 81 HE22 0.0042 0.0018 0.0002 861 GLU 82 N -0.0023 0.0130 0.0071 862 GLU 82 CA -0.0015 0.0120 0.0112 863 GLU 82 C -0.0060 0.0140 0.0165 864 GLU 82 O -0.0063 0.0137 0.0204 865 GLU 82 CB 0.0043 0.0081 0.0135 866 GLU 82 CG 0.0057 0.0068 0.0175 867 GLU 82 CD 0.0114 0.0030 0.0192 868 GLU 82 OE1 0.0128 0.0016 0.0234 869 GLU 82 OE2 0.0148 0.0013 0.0163 870 GLU 82 H -0.0040 0.0146 0.0032 871 GLU 82 HA -0.0021 0.0127 0.0082 872 GLU 82 HB2 0.0072 0.0069 0.0094 873 GLU 82 HB3 0.0049 0.0074 0.0161 874 GLU 82 HG2 0.0031 0.0078 0.0218 875 GLU 82 HG3 0.0050 0.0075 0.0149 876 GLU 83 N -0.0091 0.0157 0.0188 877 GLU 83 CA -0.0159 0.0151 0.0231 878 GLU 83 C -0.0242 0.0147 0.0182 879 GLU 83 O -0.0302 0.0142 0.0215 880 GLU 83 CB -0.0137 0.0152 0.0243 881 GLU 83 CG -0.0205 0.0146 0.0288 882 GLU 83 CD -0.0176 0.0147 0.0307 883 GLU 83 OE1 -0.0173 0.0149 0.0249 884 GLU 83 OE2 -0.0154 0.0146 0.0381 885 GLU 83 H -0.0082 0.0160 0.0127 886 GLU 83 HA -0.0166 0.0148 0.0292 887 GLU 83 HB2 -0.0080 0.0154 0.0280 888 GLU 83 HB3 -0.0126 0.0155 0.0182 889 GLU 83 HG2 -0.0261 0.0144 0.0248 890 GLU 83 HG3 -0.0221 0.0142 0.0347 891 ALA 84 N -0.0223 0.0145 0.0141 892 ALA 84 CA -0.0288 0.0143 0.0095 893 ALA 84 C -0.0263 0.0161 0.0054 894 ALA 84 O -0.0299 0.0169 -0.0002 895 ALA 84 CB -0.0321 0.0151 0.0042 896 ALA 84 H -0.0187 0.0160 0.0116 897 ALA 84 HA -0.0329 0.0122 0.0134 898 ALA 84 HB1 -0.0368 0.0151 0.0008 899 ALA 84 HB2 -0.0278 0.0172 0.0006 900 ALA 84 HB3 -0.0343 0.0137 0.0074 901 GLU 85 N -0.0144 0.0137 0.0102 902 GLU 85 CA -0.0154 0.0125 0.0081 903 GLU 85 C -0.0144 0.0139 0.0105 904 GLU 85 O -0.0109 0.0138 0.0109 905 GLU 85 CB -0.0128 0.0104 0.0049 906 GLU 85 CG -0.0142 0.0088 0.0021 907 GLU 85 CD -0.0132 0.0092 0.0029 908 GLU 85 OE1 -0.0098 0.0085 0.0021 909 GLU 85 OE2 -0.0158 0.0102 0.0042 910 GLU 85 H -0.0131 0.0150 0.0125 911 GLU 85 HA -0.0186 0.0124 0.0074 912 GLU 85 HB2 -0.0129 0.0097 0.0037 913 GLU 85 HB3 -0.0097 0.0106 0.0057 914 GLU 85 HG2 -0.0174 0.0091 0.0022 915 GLU 85 HG3 -0.0131 0.0072 -0.0004 916 ARG 86 N -0.0187 0.0206 0.0207 917 ARG 86 CA -0.0195 0.0177 0.0166 918 ARG 86 C -0.0162 0.0181 0.0155 919 ARG 86 O -0.0119 0.0201 0.0165 920 ARG 86 CB -0.0191 0.0153 0.0125 921 ARG 86 CG -0.0146 0.0164 0.0119 922 ARG 86 CD -0.0093 0.0174 0.0108 923 ARG 86 NE -0.0051 0.0187 0.0107 924 ARG 86 CZ -0.0002 0.0203 0.0108 925 ARG 86 NH1 0.0015 0.0208 0.0107 926 ARG 86 NH2 0.0032 0.0215 0.0109 927 ARG 86 H -0.0152 0.0219 0.0211 928 ARG 86 HA -0.0234 0.0169 0.0173 929 ARG 86 HB2 -0.0188 0.0135 0.0093 930 ARG 86 HB3 -0.0227 0.0144 0.0128 931 ARG 86 HG2 -0.0149 0.0146 0.0091 932 ARG 86 HG3 -0.0148 0.0183 0.0150 933 ARG 86 HD2 -0.0090 0.0191 0.0134 934 ARG 86 HD3 -0.0089 0.0155 0.0075 935 ARG 86 HE -0.0062 0.0184 0.0107 936 ARG 86 HH11 -0.0008 0.0200 0.0106 937 ARG 86 HH12 0.0052 0.0220 0.0107 938 ARG 86 HH21 0.0021 0.0212 0.0110 939 ARG 86 HH22 0.0069 0.0227 0.0110 940 ALA 87 N -0.0240 0.0188 0.0229 941 ALA 87 CA -0.0269 0.0193 0.0299 942 ALA 87 C -0.0243 0.0196 0.0152 943 ALA 87 O -0.0328 0.0230 0.0139 944 ALA 87 CB -0.0442 0.0255 0.0370 945 ALA 87 H -0.0325 0.0227 0.0160 946 ALA 87 HA -0.0187 0.0152 0.0401 947 ALA 87 HB1 -0.0524 0.0297 0.0269 948 ALA 87 HB2 -0.0459 0.0253 0.0474 949 ALA 87 HB3 -0.0466 0.0261 0.0418 950 ALA 88 N -0.0134 0.0132 0.0075 951 ALA 88 CA -0.0086 0.0086 -0.0076 952 ALA 88 C 0.0095 0.0033 -0.0078 953 ALA 88 O 0.0167 -0.0001 -0.0140 954 ALA 88 CB -0.0165 0.0078 -0.0221 955 ALA 88 H -0.0086 0.0126 0.0112 956 ALA 88 HA -0.0124 0.0096 -0.0081 957 ALA 88 HB1 -0.0127 0.0068 -0.0218 958 ALA 88 HB2 -0.0295 0.0117 -0.0216 959 ALA 88 HB3 -0.0129 0.0044 -0.0333 960 GLY 89 N 0.0558 0.0031 -0.0027 961 GLY 89 CA 0.0791 -0.0031 -0.0019 962 GLY 89 C 0.0704 -0.0038 0.0066 963 GLY 89 O 0.0541 0.0048 -0.0064 964 GLY 89 H 0.0381 0.0044 0.0068 965 GLY 89 HA2 0.0897 0.0010 -0.0216 966 GLY 89 HA3 0.0927 -0.0114 0.0122 967 MET 90 N 0.0921 0.0004 0.0104 968 MET 90 CA 0.0577 -0.0049 0.0076 969 MET 90 C 0.0556 0.0305 -0.0209 970 MET 90 O 0.0324 0.0540 -0.0442 971 MET 90 CB 0.0104 -0.0210 0.0109 972 MET 90 CG -0.0264 -0.0349 0.0144 973 MET 90 SD -0.0432 -0.0008 -0.0160 974 MET 90 CE -0.0879 -0.0268 -0.0045 975 MET 90 H 0.1179 -0.0136 0.0267 976 MET 90 HA 0.0694 -0.0239 0.0251 977 MET 90 HB2 0.0150 -0.0436 0.0297 978 MET 90 HB3 -0.0026 -0.0003 -0.0082 979 MET 90 HG2 -0.0135 -0.0556 0.0335 980 MET 90 HG3 -0.0561 -0.0472 0.0182 981 MET 90 HE1 -0.0745 -0.0488 0.0157 982 MET 90 HE2 -0.1016 -0.0095 -0.0209 983 MET 90 HE3 -0.1143 -0.0376 -0.0012 984 GLY 91 N -0.0269 0.0034 0.0158 985 GLY 91 CA -0.0439 0.0041 0.0370 986 GLY 91 C -0.0570 0.0162 0.0102 987 GLY 91 O -0.0902 0.0293 0.0079 988 GLY 91 H -0.0414 0.0136 -0.0017 989 GLY 91 HA2 -0.0240 -0.0080 0.0542 990 GLY 91 HA3 -0.0674 0.0080 0.0552 991 SER 92 N -0.0038 0.0218 -0.0303 992 SER 92 CA 0.0049 0.0363 -0.0478 993 SER 92 C 0.0238 0.0228 -0.0506 994 SER 92 O 0.0420 0.0084 -0.0522 995 SER 92 CB 0.0139 0.0497 -0.0648 996 SER 92 OG -0.0043 0.0620 -0.0616 997 SER 92 H 0.0069 0.0107 -0.0291 998 SER 92 HA -0.0095 0.0479 -0.0468 999 SER 92 HB2 0.0283 0.0383 -0.0660 1000 SER 92 HB3 0.0196 0.0613 -0.0780 1001 SER 92 HG -0.0166 0.0562 -0.0482 1002 TYR 93 N 0.0310 -0.0052 -0.0296 1003 TYR 93 CA 0.0281 -0.0038 -0.0138 1004 TYR 93 C 0.0169 -0.0094 -0.0185 1005 TYR 93 O 0.0090 -0.0149 -0.0320 1006 TYR 93 CB 0.0196 -0.0050 0.0009 1007 TYR 93 CG 0.0180 -0.0027 0.0192 1008 TYR 93 CD1 0.0306 0.0045 0.0307 1009 TYR 93 CD2 0.0039 -0.0077 0.0250 1010 TYR 93 CE1 0.0293 0.0066 0.0472 1011 TYR 93 CE2 0.0026 -0.0056 0.0416 1012 TYR 93 CZ 0.0153 0.0016 0.0526 1013 TYR 93 OH 0.0140 0.0038 0.0692 1014 TYR 93 H 0.0215 -0.0100 -0.0341 1015 TYR 93 HA 0.0398 0.0018 -0.0097 1016 TYR 93 HB2 0.0266 -0.0019 0.0020 1017 TYR 93 HB3 0.0074 -0.0108 -0.0028 1018 TYR 93 HD1 0.0415 0.0084 0.0264 1019 TYR 93 HD2 -0.0060 -0.0134 0.0162 1020 TYR 93 HE1 0.0393 0.0123 0.0560 1021 TYR 93 HE2 -0.0084 -0.0095 0.0459 1022 TYR 93 HH 0.0106 0.0021 0.0676 1023 VAL 94 N 0.0190 -0.0397 0.0705 1024 VAL 94 CA 0.0283 -0.0318 0.0678 1025 VAL 94 C 0.1109 0.0277 0.0651 1026 VAL 94 O 0.1342 0.0758 0.0003 1027 VAL 94 CB -0.0347 -0.0409 -0.0044 1028 VAL 94 CG1 -0.0360 0.0009 -0.0916 1029 VAL 94 CG2 -0.0246 -0.0348 -0.0021 1030 VAL 94 H -0.0189 -0.0439 0.0245 1031 VAL 94 HA 0.0217 -0.0660 0.1281 1032 VAL 94 HB -0.0900 -0.0855 0.0073 1033 VAL 94 HG11 -0.0802 -0.0072 -0.1386 1034 VAL 94 HG12 0.0193 0.0462 -0.1044 1035 VAL 94 HG13 -0.0480 -0.0068 -0.0932 1036 VAL 94 HG21 0.0316 0.0088 -0.0104 1037 VAL 94 HG22 -0.0683 -0.0411 -0.0523 1038 VAL 94 HG23 -0.0297 -0.0680 0.0581