1 ASP 28 N 0.1200 0.0050 0.0181 2 ASP 28 CA 0.0541 -0.0162 0.0055 3 ASP 28 C 0.0275 -0.0056 -0.0070 4 ASP 28 O 0.0396 0.0442 -0.0225 5 ASP 28 CB 0.0204 0.0167 -0.0179 6 ASP 28 CG -0.0480 -0.0031 -0.0318 7 ASP 28 OD1 -0.0658 -0.0560 -0.0169 8 ASP 28 OD2 -0.0847 0.0342 -0.0578 9 ASP 28 H 0.1395 -0.0009 0.0265 10 ASP 28 HA 0.0493 -0.0641 0.0226 11 ASP 28 HB2 0.0399 0.0084 -0.0085 12 ASP 28 HB3 0.0269 0.0647 -0.0345 13 PRO 29 N -0.0049 0.0122 -0.0183 14 PRO 29 CA 0.0308 0.0169 -0.0165 15 PRO 29 C 0.0486 -0.0030 -0.0365 16 PRO 29 O 0.0393 -0.0105 -0.0428 17 PRO 29 CB 0.0363 0.0407 0.0052 18 PRO 29 CG 0.0036 0.0517 0.0179 19 PRO 29 CD -0.0218 0.0311 0.0007 20 PRO 29 HA 0.0399 0.0191 -0.0152 21 PRO 29 HB2 0.0453 0.0364 0.0006 22 PRO 29 HB3 0.0547 0.0521 0.0145 23 PRO 29 HG2 0.0012 0.0617 0.0275 24 PRO 29 HG3 0.0013 0.0635 0.0291 25 PRO 29 HD2 -0.0288 0.0252 -0.0043 26 PRO 29 HD3 -0.0430 0.0368 0.0075 27 ASN 30 N 0.0235 -0.0220 0.0492 28 ASN 30 CA 0.0164 -0.0092 0.0217 29 ASN 30 C 0.0051 -0.0049 0.0041 30 ASN 30 O -0.0191 -0.0134 -0.0044 31 ASN 30 CB -0.0021 -0.0167 0.0167 32 ASN 30 CG -0.0114 -0.0046 -0.0117 33 ASN 30 OD1 0.0015 0.0083 -0.0207 34 ASN 30 ND2 -0.0339 -0.0088 -0.0257 35 ASN 30 H 0.0412 -0.0183 0.0595 36 ASN 30 HA 0.0346 0.0040 0.0171 37 ASN 30 HB2 0.0085 -0.0177 0.0282 38 ASN 30 HB3 -0.0184 -0.0308 0.0244 39 ASN 30 HD21 -0.0438 -0.0197 -0.0172 40 ASN 30 HD22 -0.0402 -0.0011 -0.0440 41 ALA 31 N 0.0009 -0.0226 0.0013 42 ALA 31 CA 0.0024 -0.0143 -0.0009 43 ALA 31 C 0.0055 -0.0166 -0.0062 44 ALA 31 O 0.0098 -0.0175 -0.0136 45 ALA 31 CB 0.0051 -0.0073 -0.0051 46 ALA 31 H 0.0025 -0.0284 -0.0016 47 ALA 31 HA -0.0007 -0.0110 0.0046 48 ALA 31 HB1 0.0060 -0.0011 -0.0065 49 ALA 31 HB2 0.0082 -0.0104 -0.0107 50 ALA 31 HB3 0.0029 -0.0056 -0.0013 51 GLU 32 N -0.0092 -0.0343 0.0073 52 GLU 32 CA 0.0001 -0.0141 0.0152 53 GLU 32 C 0.0096 0.0015 0.0220 54 GLU 32 O 0.0229 0.0170 0.0299 55 GLU 32 CB -0.0186 -0.0003 0.0126 56 GLU 32 CG -0.0395 0.0096 0.0083 57 GLU 32 CD -0.0569 0.0238 0.0062 58 GLU 32 OE1 -0.0547 0.0456 0.0122 59 GLU 32 OE2 -0.0729 0.0136 -0.0013 60 GLU 32 H -0.0261 -0.0335 0.0022 61 GLU 32 HA 0.0137 -0.0212 0.0178 62 GLU 32 HB2 -0.0108 0.0143 0.0186 63 GLU 32 HB3 -0.0247 -0.0121 0.0078 64 GLU 32 HG2 -0.0480 -0.0049 0.0021 65 GLU 32 HG3 -0.0334 0.0209 0.0130 66 PHE 33 N -0.0068 0.0021 0.0073 67 PHE 33 CA -0.0044 0.0071 0.0090 68 PHE 33 C 0.0014 0.0038 0.0083 69 PHE 33 O 0.0026 -0.0027 0.0063 70 PHE 33 CB -0.0111 0.0097 0.0094 71 PHE 33 CG -0.0154 0.0038 0.0073 72 PHE 33 CD1 -0.0132 0.0008 0.0065 73 PHE 33 CD2 -0.0216 0.0012 0.0061 74 PHE 33 CE1 -0.0171 -0.0046 0.0046 75 PHE 33 CE2 -0.0254 -0.0043 0.0042 76 PHE 33 CZ -0.0232 -0.0072 0.0034 77 PHE 33 H -0.0101 -0.0017 0.0059 78 PHE 33 HA -0.0021 0.0116 0.0105 79 PHE 33 HB2 -0.0091 0.0130 0.0106 80 PHE 33 HB3 -0.0148 0.0127 0.0102 81 PHE 33 HD1 -0.0084 0.0028 0.0074 82 PHE 33 HD2 -0.0233 0.0034 0.0068 83 PHE 33 HE1 -0.0153 -0.0069 0.0040 84 PHE 33 HE2 -0.0303 -0.0062 0.0033 85 PHE 33 HZ -0.0263 -0.0115 0.0019 86 ASP 34 N -0.0008 0.0116 0.0026 87 ASP 34 CA 0.0025 0.0098 0.0024 88 ASP 34 C 0.0006 0.0099 0.0022 89 ASP 34 O -0.0016 0.0130 0.0030 90 ASP 34 CB 0.0067 0.0123 0.0038 91 ASP 34 CG 0.0104 0.0103 0.0036 92 ASP 34 OD1 0.0103 0.0106 0.0036 93 ASP 34 OD2 0.0135 0.0084 0.0033 94 ASP 34 H -0.0013 0.0147 0.0037 95 ASP 34 HA 0.0033 0.0066 0.0013 96 ASP 34 HB2 0.0078 0.0127 0.0041 97 ASP 34 HB3 0.0060 0.0154 0.0048 98 PRO 35 N 0.0020 0.0067 0.0020 99 PRO 35 CA -0.0018 0.0045 -0.0002 100 PRO 35 C 0.0026 0.0057 0.0020 101 PRO 35 O 0.0000 0.0038 0.0004 102 PRO 35 CB -0.0027 -0.0043 -0.0028 103 PRO 35 CG 0.0044 -0.0073 -0.0007 104 PRO 35 CD 0.0062 -0.0004 0.0018 105 PRO 35 HA -0.0074 0.0077 -0.0016 106 PRO 35 HB2 -0.0030 -0.0073 -0.0037 107 PRO 35 HB3 -0.0078 -0.0050 -0.0051 108 PRO 35 HG2 0.0091 -0.0087 0.0008 109 PRO 35 HG3 0.0033 -0.0124 -0.0025 110 PRO 35 HD2 0.0122 0.0001 0.0045 111 PRO 35 HD3 0.0040 -0.0013 0.0007 112 ASP 36 N -0.0005 -0.0017 -0.0016 113 ASP 36 CA 0.0029 -0.0046 0.0018 114 ASP 36 C 0.0025 0.0119 -0.0002 115 ASP 36 O -0.0008 0.0119 -0.0032 116 ASP 36 CB 0.0162 -0.0115 0.0146 117 ASP 36 CG 0.0204 -0.0140 0.0188 118 ASP 36 OD1 0.0156 -0.0263 0.0156 119 ASP 36 OD2 0.0290 -0.0035 0.0254 120 ASP 36 H 0.0059 0.0040 0.0037 121 ASP 36 HA -0.0041 -0.0140 -0.0036 122 ASP 36 HB2 0.0159 -0.0237 0.0156 123 ASP 36 HB3 0.0231 -0.0025 0.0199 124 LEU 37 N 0.0043 0.0178 0.0030 125 LEU 37 CA 0.0044 0.0214 0.0030 126 LEU 37 C -0.0003 0.0221 0.0065 127 LEU 37 O -0.0028 0.0180 0.0083 128 LEU 37 CB 0.0077 0.0193 0.0005 129 LEU 37 CG 0.0128 0.0201 -0.0033 130 LEU 37 CD1 0.0140 0.0262 -0.0040 131 LEU 37 CD2 0.0143 0.0166 -0.0045 132 LEU 37 H 0.0046 0.0138 0.0027 133 LEU 37 HA 0.0056 0.0254 0.0022 134 LEU 37 HB2 0.0070 0.0150 0.0009 135 LEU 37 HB3 0.0069 0.0214 0.0011 136 LEU 37 HG 0.0146 0.0188 -0.0046 137 LEU 37 HD11 0.0175 0.0266 -0.0067 138 LEU 37 HD12 0.0122 0.0278 -0.0027 139 LEU 37 HD13 0.0131 0.0286 -0.0033 140 LEU 37 HD21 0.0179 0.0173 -0.0071 141 LEU 37 HD22 0.0137 0.0123 -0.0041 142 LEU 37 HD23 0.0125 0.0178 -0.0031 143 PRO 38 N -0.0003 0.0107 0.0006 144 PRO 38 CA -0.0015 0.0108 0.0023 145 PRO 38 C -0.0027 0.0096 0.0026 146 PRO 38 O -0.0026 0.0094 0.0021 147 PRO 38 CB -0.0009 0.0125 0.0033 148 PRO 38 CG 0.0007 0.0133 0.0022 149 PRO 38 CD 0.0010 0.0121 0.0006 150 PRO 38 HA -0.0018 0.0107 0.0026 151 PRO 38 HB2 -0.0012 0.0124 0.0036 152 PRO 38 HB3 -0.0013 0.0130 0.0044 153 PRO 38 HG2 0.0012 0.0142 0.0025 154 PRO 38 HG3 0.0010 0.0138 0.0024 155 PRO 38 HD2 0.0012 0.0120 0.0002 156 PRO 38 HD3 0.0019 0.0124 -0.0003 157 GLY 39 N -0.0103 0.0102 0.0046 158 GLY 39 CA -0.0090 0.0079 0.0049 159 GLY 39 C -0.0091 0.0075 0.0044 160 GLY 39 O -0.0084 0.0055 0.0037 161 GLY 39 H -0.0101 0.0114 0.0060 162 GLY 39 HA2 -0.0080 0.0076 0.0066 163 GLY 39 HA3 -0.0091 0.0067 0.0036 164 GLY 40 N -0.0076 0.0139 0.0087 165 GLY 40 CA -0.0066 0.0115 0.0074 166 GLY 40 C -0.0046 0.0116 0.0054 167 GLY 40 O -0.0037 0.0096 0.0042 168 GLY 40 H -0.0078 0.0152 0.0090 169 GLY 40 HA2 -0.0065 0.0112 0.0072 170 GLY 40 HA3 -0.0074 0.0097 0.0081 171 GLY 41 N -0.0019 0.0061 0.0052 172 GLY 41 CA -0.0011 0.0057 0.0021 173 GLY 41 C -0.0021 0.0023 0.0023 174 GLY 41 O -0.0016 0.0013 -0.0003 175 GLY 41 H -0.0020 0.0080 0.0072 176 GLY 41 HA2 -0.0005 0.0082 0.0023 177 GLY 41 HA3 -0.0004 0.0056 -0.0005 178 LEU 42 N -0.0119 0.0030 0.0040 179 LEU 42 CA -0.0118 -0.0026 0.0044 180 LEU 42 C -0.0117 -0.0035 0.0054 181 LEU 42 O -0.0116 -0.0080 0.0051 182 LEU 42 CB -0.0117 -0.0049 0.0089 183 LEU 42 CG -0.0117 -0.0044 0.0085 184 LEU 42 CD1 -0.0116 -0.0067 0.0133 185 LEU 42 CD2 -0.0116 -0.0069 0.0035 186 LEU 42 H -0.0120 0.0048 0.0073 187 LEU 42 HA -0.0117 -0.0045 0.0008 188 LEU 42 HB2 -0.0118 -0.0030 0.0125 189 LEU 42 HB3 -0.0116 -0.0090 0.0091 190 LEU 42 HG -0.0118 -0.0002 0.0085 191 LEU 42 HD11 -0.0117 -0.0064 0.0130 192 LEU 42 HD12 -0.0115 -0.0109 0.0136 193 LEU 42 HD13 -0.0117 -0.0047 0.0168 194 LEU 42 HD21 -0.0115 -0.0110 0.0035 195 LEU 42 HD22 -0.0117 -0.0065 0.0034 196 LEU 42 HD23 -0.0117 -0.0049 0.0001 197 HIS 43 N -0.0090 -0.0030 0.0001 198 HIS 43 CA -0.0095 -0.0014 0.0017 199 HIS 43 C -0.0074 -0.0010 0.0030 200 HIS 43 O -0.0062 -0.0015 0.0030 201 HIS 43 CB -0.0106 -0.0013 0.0015 202 HIS 43 CG -0.0125 -0.0019 0.0001 203 HIS 43 ND1 -0.0146 -0.0010 0.0003 204 HIS 43 CD2 -0.0128 -0.0032 -0.0016 205 HIS 43 CE1 -0.0160 -0.0018 -0.0012 206 HIS 43 NE2 -0.0149 -0.0031 -0.0024 207 HIS 43 H -0.0079 -0.0037 -0.0004 208 HIS 43 HA -0.0105 -0.0007 0.0022 209 HIS 43 HB2 -0.0094 -0.0019 0.0013 210 HIS 43 HB3 -0.0110 -0.0001 0.0027 211 HIS 43 HD1 -0.0149 0.0000 0.0014 212 HIS 43 HD2 -0.0115 -0.0041 -0.0023 213 HIS 43 HE1 -0.0177 -0.0014 -0.0013 214 HIS 43 HE2 -0.0156 -0.0040 -0.0036 215 ARG 44 N -0.0026 -0.0011 0.0079 216 ARG 44 CA 0.0006 0.0016 0.0073 217 ARG 44 C -0.0005 0.0019 0.0101 218 ARG 44 O -0.0036 -0.0007 0.0109 219 ARG 44 CB 0.0019 0.0006 0.0024 220 ARG 44 CG 0.0023 -0.0008 -0.0013 221 ARG 44 CD 0.0032 -0.0021 -0.0060 222 ARG 44 NE 0.0034 -0.0037 -0.0098 223 ARG 44 CZ 0.0047 -0.0046 -0.0143 224 ARG 44 NH1 0.0057 -0.0042 -0.0155 225 ARG 44 NH2 0.0048 -0.0060 -0.0175 226 ARG 44 H -0.0049 -0.0035 0.0074 227 ARG 44 HA 0.0028 0.0041 0.0081 228 ARG 44 HB2 0.0000 -0.0014 0.0020 229 ARG 44 HB3 0.0046 0.0029 0.0019 230 ARG 44 HG2 0.0044 0.0013 -0.0012 231 ARG 44 HG3 -0.0004 -0.0030 -0.0006 232 ARG 44 HD2 0.0012 -0.0040 -0.0060 233 ARG 44 HD3 0.0059 0.0002 -0.0066 234 ARG 44 HE 0.0026 -0.0041 -0.0089 235 ARG 44 HH11 0.0056 -0.0031 -0.0131 236 ARG 44 HH12 0.0066 -0.0049 -0.0188 237 ARG 44 HH21 0.0041 -0.0064 -0.0168 238 ARG 44 HH22 0.0057 -0.0067 -0.0209 239 CYS 45 N 0.0055 -0.0002 0.0069 240 CYS 45 CA 0.0062 0.0015 0.0072 241 CYS 45 C 0.0077 0.0010 0.0085 242 CYS 45 O 0.0079 -0.0001 0.0089 243 CYS 45 CB 0.0055 0.0021 0.0065 244 CYS 45 SG 0.0065 0.0040 0.0070 245 CYS 45 H 0.0051 -0.0012 0.0068 246 CYS 45 HA 0.0062 0.0025 0.0070 247 CYS 45 HB2 0.0045 0.0025 0.0056 248 CYS 45 HB3 0.0052 0.0009 0.0065 249 LEU 46 N 0.0109 0.0044 0.0098 250 LEU 46 CA 0.0137 0.0039 0.0075 251 LEU 46 C 0.0172 0.0066 0.0095 252 LEU 46 O 0.0209 0.0068 0.0077 253 LEU 46 CB 0.0112 0.0023 0.0066 254 LEU 46 CG 0.0078 -0.0006 0.0044 255 LEU 46 CD1 0.0052 -0.0019 0.0039 256 LEU 46 CD2 0.0098 -0.0024 0.0006 257 LEU 46 H 0.0080 0.0039 0.0108 258 LEU 46 HA 0.0152 0.0027 0.0050 259 LEU 46 HB2 0.0097 0.0035 0.0092 260 LEU 46 HB3 0.0133 0.0020 0.0050 261 LEU 46 HG 0.0058 -0.0002 0.0060 262 LEU 46 HD11 0.0036 -0.0007 0.0066 263 LEU 46 HD12 0.0030 -0.0040 0.0022 264 LEU 46 HD13 0.0073 -0.0021 0.0025 265 LEU 46 HD21 0.0113 -0.0015 0.0010 266 LEU 46 HD22 0.0120 -0.0026 -0.0010 267 LEU 46 HD23 0.0073 -0.0044 -0.0009 268 ALA 47 N 0.0151 -0.0038 0.0020 269 ALA 47 CA 0.0170 -0.0012 0.0028 270 ALA 47 C 0.0196 0.0023 0.0033 271 ALA 47 O 0.0217 0.0047 0.0031 272 ALA 47 CB 0.0155 -0.0013 0.0065 273 ALA 47 H 0.0133 -0.0053 0.0040 274 ALA 47 HA 0.0176 -0.0015 0.0003 275 ALA 47 HB1 0.0169 0.0006 0.0070 276 ALA 47 HB2 0.0149 -0.0009 0.0091 277 ALA 47 HB3 0.0137 -0.0037 0.0062 278 CYS 48 N 0.0195 0.0072 0.0086 279 CYS 48 CA 0.0182 0.0054 0.0083 280 CYS 48 C 0.0185 0.0022 0.0092 281 CYS 48 O 0.0179 0.0006 0.0093 282 CYS 48 CB 0.0154 0.0059 0.0065 283 CYS 48 SG 0.0151 0.0093 0.0055 284 CYS 48 H 0.0189 0.0071 0.0083 285 CYS 48 HA 0.0192 0.0060 0.0087 286 CYS 48 HB2 0.0142 0.0058 0.0058 287 CYS 48 HB3 0.0146 0.0045 0.0064 288 ALA 49 N 0.0174 0.0058 0.0114 289 ALA 49 CA 0.0184 0.0012 0.0112 290 ALA 49 C 0.0150 -0.0013 0.0101 291 ALA 49 O 0.0157 -0.0050 0.0099 292 ALA 49 CB 0.0227 0.0002 0.0122 293 ALA 49 H 0.0172 0.0073 0.0114 294 ALA 49 HA 0.0184 0.0003 0.0111 295 ALA 49 HB1 0.0227 0.0011 0.0123 296 ALA 49 HB2 0.0250 0.0020 0.0130 297 ALA 49 HB3 0.0234 -0.0032 0.0121 298 ARG 50 N 0.0088 -0.0017 0.0132 299 ARG 50 CA 0.0035 -0.0041 0.0122 300 ARG 50 C 0.0046 -0.0040 0.0129 301 ARG 50 O 0.0086 -0.0007 0.0116 302 ARG 50 CB -0.0004 -0.0027 0.0063 303 ARG 50 CG -0.0022 -0.0030 0.0052 304 ARG 50 CD -0.0061 -0.0015 -0.0006 305 ARG 50 NE -0.0078 -0.0018 -0.0018 306 ARG 50 CZ -0.0108 -0.0004 -0.0068 307 ARG 50 NH1 -0.0127 0.0013 -0.0110 308 ARG 50 NH2 -0.0121 -0.0006 -0.0075 309 ARG 50 H 0.0111 0.0014 0.0106 310 ARG 50 HA 0.0014 -0.0073 0.0152 311 ARG 50 HB2 0.0018 0.0006 0.0033 312 ARG 50 HB3 -0.0042 -0.0045 0.0057 313 ARG 50 HG2 -0.0045 -0.0063 0.0082 314 ARG 50 HG3 0.0015 -0.0012 0.0058 315 ARG 50 HD2 -0.0038 0.0017 -0.0035 316 ARG 50 HD3 -0.0099 -0.0035 -0.0011 317 ARG 50 HE -0.0065 -0.0031 0.0014 318 ARG 50 HH11 -0.0119 0.0015 -0.0106 319 ARG 50 HH12 -0.0150 0.0024 -0.0148 320 ARG 50 HH21 -0.0108 -0.0019 -0.0044 321 ARG 50 HH22 -0.0142 0.0005 -0.0112 322 TYR 51 N 0.0057 0.0098 0.0039 323 TYR 51 CA 0.0039 0.0080 0.0038 324 TYR 51 C 0.0034 0.0088 0.0066 325 TYR 51 O 0.0051 0.0108 0.0073 326 TYR 51 CB 0.0050 0.0076 0.0009 327 TYR 51 CG 0.0058 0.0070 -0.0020 328 TYR 51 CD1 0.0082 0.0087 -0.0031 329 TYR 51 CD2 0.0042 0.0047 -0.0037 330 TYR 51 CE1 0.0090 0.0082 -0.0057 331 TYR 51 CE2 0.0049 0.0042 -0.0064 332 TYR 51 CZ 0.0073 0.0059 -0.0074 333 TYR 51 OH 0.0081 0.0054 -0.0100 334 TYR 51 H 0.0074 0.0111 0.0035 335 TYR 51 HA 0.0023 0.0064 0.0036 336 TYR 51 HB2 0.0066 0.0092 0.0011 337 TYR 51 HB3 0.0036 0.0063 0.0007 338 TYR 51 HD1 0.0095 0.0105 -0.0018 339 TYR 51 HD2 0.0023 0.0033 -0.0029 340 TYR 51 HE1 0.0109 0.0096 -0.0065 341 TYR 51 HE2 0.0036 0.0024 -0.0077 342 TYR 51 HH 0.0097 0.0064 -0.0111 343 PHE 52 N -0.0036 -0.0023 0.0030 344 PHE 52 CA -0.0043 -0.0023 0.0013 345 PHE 52 C -0.0045 -0.0024 0.0010 346 PHE 52 O -0.0039 -0.0017 0.0017 347 PHE 52 CB -0.0041 -0.0009 0.0003 348 PHE 52 CG -0.0039 -0.0007 0.0006 349 PHE 52 CD1 -0.0030 -0.0001 0.0019 350 PHE 52 CD2 -0.0045 -0.0012 -0.0004 351 PHE 52 CE1 -0.0028 0.0001 0.0021 352 PHE 52 CE2 -0.0044 -0.0011 -0.0002 353 PHE 52 CZ -0.0035 -0.0004 0.0011 354 PHE 52 H -0.0030 -0.0014 0.0034 355 PHE 52 HA -0.0049 -0.0034 0.0011 356 PHE 52 HB2 -0.0035 0.0001 0.0006 357 PHE 52 HB3 -0.0046 -0.0009 -0.0009 358 PHE 52 HD1 -0.0025 0.0003 0.0027 359 PHE 52 HD2 -0.0052 -0.0017 -0.0014 360 PHE 52 HE1 -0.0022 0.0006 0.0031 361 PHE 52 HE2 -0.0049 -0.0014 -0.0010 362 PHE 52 HZ -0.0034 -0.0003 0.0013 363 ILE 53 N -0.0079 -0.0007 -0.0047 364 ILE 53 CA -0.0062 0.0034 -0.0132 365 ILE 53 C -0.0097 0.0101 -0.0160 366 ILE 53 O -0.0110 0.0156 -0.0214 367 ILE 53 CB 0.0008 -0.0017 -0.0186 368 ILE 53 CG1 0.0028 -0.0053 -0.0171 369 ILE 53 CG2 0.0044 -0.0074 -0.0172 370 ILE 53 CD1 0.0095 -0.0101 -0.0224 371 ILE 53 H -0.0046 -0.0059 -0.0035 372 ILE 53 HA -0.0072 0.0053 -0.0140 373 ILE 53 HB 0.0016 0.0019 -0.0247 374 ILE 53 HG12 0.0018 -0.0087 -0.0109 375 ILE 53 HG13 0.0001 -0.0010 -0.0183 376 ILE 53 HG21 0.0034 -0.0108 -0.0109 377 ILE 53 HG22 0.0032 -0.0047 -0.0187 378 ILE 53 HG23 0.0093 -0.0109 -0.0210 379 ILE 53 HD11 0.0106 -0.0068 -0.0287 380 ILE 53 HD12 0.0105 -0.0125 -0.0209 381 ILE 53 HD13 0.0123 -0.0145 -0.0213 382 ASP 54 N -0.0123 -0.0058 -0.0101 383 ASP 54 CA -0.0181 -0.0057 -0.0096 384 ASP 54 C -0.0188 -0.0025 -0.0061 385 ASP 54 O -0.0154 0.0002 -0.0033 386 ASP 54 CB -0.0217 -0.0051 -0.0087 387 ASP 54 CG -0.0279 -0.0052 -0.0084 388 ASP 54 OD1 -0.0306 -0.0083 -0.0117 389 ASP 54 OD2 -0.0302 -0.0021 -0.0049 390 ASP 54 H -0.0100 -0.0035 -0.0077 391 ASP 54 HA -0.0194 -0.0084 -0.0125 392 ASP 54 HB2 -0.0210 -0.0073 -0.0112 393 ASP 54 HB3 -0.0205 -0.0024 -0.0058 394 SER 55 N -0.0157 -0.0073 -0.0040 395 SER 55 CA -0.0151 -0.0071 -0.0046 396 SER 55 C -0.0161 -0.0048 -0.0034 397 SER 55 O -0.0152 -0.0034 -0.0041 398 SER 55 CB -0.0156 -0.0098 -0.0044 399 SER 55 OG -0.0151 -0.0097 -0.0049 400 SER 55 H -0.0165 -0.0090 -0.0034 401 SER 55 HA -0.0136 -0.0066 -0.0061 402 SER 55 HB2 -0.0148 -0.0113 -0.0054 403 SER 55 HB3 -0.0171 -0.0105 -0.0029 404 SER 55 HG -0.0162 -0.0092 -0.0037 405 THR 56 N -0.0190 -0.0152 -0.0019 406 THR 56 CA -0.0221 -0.0091 0.0008 407 THR 56 C -0.0194 -0.0019 -0.0014 408 THR 56 O -0.0188 0.0034 -0.0018 409 THR 56 CB -0.0282 -0.0095 0.0059 410 THR 56 OG1 -0.0305 -0.0167 0.0076 411 THR 56 CG2 -0.0317 -0.0037 0.0089 412 THR 56 H -0.0210 -0.0185 -0.0003 413 THR 56 HA -0.0219 -0.0093 0.0006 414 THR 56 HB -0.0283 -0.0086 0.0059 415 THR 56 HG1 -0.0293 -0.0198 0.0066 416 THR 56 HG21 -0.0360 -0.0041 0.0124 417 THR 56 HG22 -0.0316 -0.0046 0.0087 418 THR 56 HG23 -0.0301 0.0016 0.0076 419 ASN 57 N -0.0150 -0.0022 -0.0012 420 ASN 57 CA -0.0128 0.0010 -0.0019 421 ASN 57 C -0.0103 0.0015 -0.0040 422 ASN 57 O -0.0091 0.0046 -0.0039 423 ASN 57 CB -0.0117 0.0009 -0.0030 424 ASN 57 CG -0.0135 0.0021 -0.0008 425 ASN 57 OD1 -0.0129 0.0053 0.0001 426 ASN 57 ND2 -0.0156 -0.0004 0.0001 427 ASN 57 H -0.0153 -0.0042 -0.0019 428 ASN 57 HA -0.0137 0.0033 -0.0001 429 ASN 57 HB2 -0.0118 -0.0019 -0.0042 430 ASN 57 HB3 -0.0095 0.0025 -0.0044 431 ASN 57 HD21 -0.0160 -0.0030 -0.0006 432 ASN 57 HD22 -0.0168 0.0003 0.0016 433 LEU 58 N -0.0092 -0.0011 -0.0055 434 LEU 58 CA -0.0072 -0.0001 -0.0044 435 LEU 58 C -0.0068 0.0025 -0.0053 436 LEU 58 O -0.0060 0.0034 -0.0051 437 LEU 58 CB -0.0059 -0.0008 -0.0030 438 LEU 58 CG -0.0037 0.0003 -0.0018 439 LEU 58 CD1 -0.0032 0.0025 -0.0024 440 LEU 58 CD2 -0.0030 0.0004 -0.0013 441 LEU 58 H -0.0095 -0.0017 -0.0054 442 LEU 58 HA -0.0070 -0.0008 -0.0039 443 LEU 58 HB2 -0.0061 -0.0026 -0.0023 444 LEU 58 HB3 -0.0064 -0.0005 -0.0035 445 LEU 58 HG -0.0029 -0.0006 -0.0007 446 LEU 58 HD11 -0.0016 0.0033 -0.0015 447 LEU 58 HD12 -0.0039 0.0036 -0.0035 448 LEU 58 HD13 -0.0036 0.0024 -0.0027 449 LEU 58 HD21 -0.0037 0.0015 -0.0023 450 LEU 58 HD22 -0.0014 0.0012 -0.0004 451 LEU 58 HD23 -0.0033 -0.0012 -0.0008 452 LYS 59 N -0.0060 -0.0014 -0.0120 453 LYS 59 CA -0.0050 -0.0010 -0.0136 454 LYS 59 C -0.0067 0.0009 -0.0148 455 LYS 59 O -0.0060 0.0017 -0.0168 456 LYS 59 CB -0.0040 -0.0023 -0.0125 457 LYS 59 CG -0.0057 -0.0024 -0.0106 458 LYS 59 CD -0.0046 -0.0038 -0.0095 459 LYS 59 CE -0.0034 -0.0035 -0.0111 460 LYS 59 NZ -0.0050 -0.0020 -0.0119 461 LYS 59 H -0.0062 -0.0023 -0.0103 462 LYS 59 HA -0.0036 -0.0010 -0.0148 463 LYS 59 HB2 -0.0032 -0.0020 -0.0137 464 LYS 59 HB3 -0.0028 -0.0035 -0.0117 465 LYS 59 HG2 -0.0066 -0.0026 -0.0094 466 LYS 59 HG3 -0.0069 -0.0012 -0.0113 467 LYS 59 HD2 -0.0033 -0.0050 -0.0089 468 LYS 59 HD3 -0.0058 -0.0040 -0.0081 469 LYS 59 HE2 -0.0022 -0.0033 -0.0126 470 LYS 59 HE3 -0.0025 -0.0046 -0.0102 471 LYS 59 HZ1 -0.0062 -0.0022 -0.0105 472 LYS 59 HZ2 -0.0042 -0.0019 -0.0130 473 LYS 59 HZ3 -0.0060 -0.0009 -0.0127 474 THR 60 N -0.0076 -0.0014 -0.0108 475 THR 60 CA -0.0070 0.0011 -0.0087 476 THR 60 C -0.0072 0.0036 -0.0124 477 THR 60 O -0.0070 0.0043 -0.0120 478 THR 60 CB -0.0061 0.0044 -0.0054 479 THR 60 OG1 -0.0059 0.0021 -0.0019 480 THR 60 CG2 -0.0055 0.0072 -0.0032 481 THR 60 H -0.0074 -0.0006 -0.0101 482 THR 60 HA -0.0070 -0.0012 -0.0071 483 THR 60 HB -0.0061 0.0066 -0.0072 484 THR 60 HG1 -0.0062 0.0010 -0.0032 485 THR 60 HG21 -0.0049 0.0094 -0.0009 486 THR 60 HG22 -0.0055 0.0049 -0.0015 487 THR 60 HG23 -0.0056 0.0090 -0.0058 488 HIS 61 N -0.0042 0.0006 -0.0119 489 HIS 61 CA -0.0026 -0.0004 -0.0094 490 HIS 61 C -0.0014 0.0027 -0.0078 491 HIS 61 O -0.0006 0.0024 -0.0064 492 HIS 61 CB -0.0016 -0.0028 -0.0073 493 HIS 61 CG 0.0004 -0.0030 -0.0043 494 HIS 61 ND1 0.0008 -0.0047 -0.0034 495 HIS 61 CD2 0.0019 -0.0016 -0.0019 496 HIS 61 CE1 0.0026 -0.0042 -0.0006 497 HIS 61 NE2 0.0033 -0.0024 0.0002 498 HIS 61 H -0.0042 0.0000 -0.0120 499 HIS 61 HA -0.0032 -0.0018 -0.0101 500 HIS 61 HB2 -0.0023 -0.0053 -0.0081 501 HIS 61 HB3 -0.0015 -0.0020 -0.0074 502 HIS 61 HD1 -0.0000 -0.0060 -0.0046 503 HIS 61 HD2 0.0021 -0.0001 -0.0018 504 HIS 61 HE1 0.0035 -0.0048 0.0009 505 PHE 62 N 0.0015 -0.0053 -0.0077 506 PHE 62 CA 0.0014 -0.0037 -0.0057 507 PHE 62 C 0.0015 -0.0037 -0.0074 508 PHE 62 O 0.0014 -0.0022 -0.0062 509 PHE 62 CB 0.0013 -0.0002 -0.0048 510 PHE 62 CG 0.0012 0.0002 -0.0035 511 PHE 62 CD1 0.0011 -0.0015 -0.0007 512 PHE 62 CD2 0.0012 0.0024 -0.0049 513 PHE 62 CE1 0.0010 -0.0011 0.0005 514 PHE 62 CE2 0.0012 0.0028 -0.0037 515 PHE 62 CZ 0.0011 0.0010 -0.0010 516 PHE 62 H 0.0016 -0.0041 -0.0093 517 PHE 62 HA 0.0013 -0.0051 -0.0035 518 PHE 62 HB2 0.0013 0.0015 -0.0069 519 PHE 62 HB3 0.0012 0.0005 -0.0029 520 PHE 62 HD1 0.0011 -0.0032 0.0004 521 PHE 62 HD2 0.0013 0.0038 -0.0071 522 PHE 62 HE1 0.0010 -0.0026 0.0026 523 PHE 62 HE2 0.0012 0.0045 -0.0050 524 PHE 62 HZ 0.0010 0.0014 -0.0002 525 ARG 63 N -0.0103 -0.0124 -0.0259 526 ARG 63 CA -0.0063 -0.0192 -0.0165 527 ARG 63 C -0.0057 -0.0210 -0.0144 528 ARG 63 O -0.0020 -0.0261 -0.0067 529 ARG 63 CB 0.0035 -0.0164 -0.0110 530 ARG 63 CG 0.0027 -0.0166 -0.0115 531 ARG 63 CD 0.0126 -0.0137 -0.0061 532 ARG 63 NE 0.0174 -0.0196 0.0033 533 ARG 63 CZ 0.0254 -0.0196 0.0098 534 ARG 63 NH1 0.0293 -0.0143 0.0082 535 ARG 63 NH2 0.0294 -0.0250 0.0179 536 ARG 63 H -0.0060 -0.0060 -0.0283 537 ARG 63 HA -0.0114 -0.0257 -0.0149 538 ARG 63 HB2 0.0084 -0.0094 -0.0134 539 ARG 63 HB3 0.0066 -0.0212 -0.0042 540 ARG 63 HG2 -0.0020 -0.0237 -0.0090 541 ARG 63 HG3 -0.0004 -0.0119 -0.0183 542 ARG 63 HD2 0.0116 -0.0142 -0.0064 543 ARG 63 HD3 0.0172 -0.0065 -0.0088 544 ARG 63 HE 0.0145 -0.0237 0.0046 545 ARG 63 HH11 0.0264 -0.0102 0.0021 546 ARG 63 HH12 0.0353 -0.0141 0.0130 547 ARG 63 HH21 0.0265 -0.0291 0.0193 548 ARG 63 HH22 0.0354 -0.0252 0.0230 549 SER 64 N 0.0008 -0.0101 -0.0061 550 SER 64 CA 0.0032 -0.0120 -0.0009 551 SER 64 C 0.0049 -0.0041 0.0045 552 SER 64 O 0.0070 -0.0024 0.0096 553 SER 64 CB 0.0060 -0.0194 0.0040 554 SER 64 OG 0.0045 -0.0263 -0.0007 555 SER 64 H 0.0015 -0.0119 -0.0049 556 SER 64 HA 0.0020 -0.0134 -0.0040 557 SER 64 HB2 0.0075 -0.0174 0.0080 558 SER 64 HB3 0.0075 -0.0215 0.0072 559 SER 64 HG 0.0035 -0.0289 -0.0034 560 LYS 65 N 0.0042 0.0034 0.0257 561 LYS 65 CA 0.0168 0.0041 0.0169 562 LYS 65 C 0.0213 0.0056 0.0114 563 LYS 65 O 0.0333 0.0031 0.0090 564 LYS 65 CB 0.0166 0.0095 0.0067 565 LYS 65 CG 0.0045 0.0171 -0.0008 566 LYS 65 CD 0.0035 0.0216 -0.0089 567 LYS 65 CE -0.0086 0.0291 -0.0159 568 LYS 65 NZ -0.0102 0.0334 -0.0234 569 LYS 65 H -0.0036 0.0067 0.0240 570 LYS 65 HA 0.0243 -0.0013 0.0227 571 LYS 65 HB2 0.0255 0.0102 -0.0000 572 LYS 65 HB3 0.0172 0.0070 0.0111 573 LYS 65 HG2 0.0053 0.0200 -0.0068 574 LYS 65 HG3 -0.0047 0.0165 0.0058 575 LYS 65 HD2 0.0027 0.0189 -0.0031 576 LYS 65 HD3 0.0126 0.0223 -0.0155 577 LYS 65 HE2 -0.0073 0.0319 -0.0222 578 LYS 65 HE3 -0.0175 0.0283 -0.0093 579 LYS 65 HZ1 -0.0018 0.0343 -0.0299 580 LYS 65 HZ2 -0.0119 0.0310 -0.0177 581 LYS 65 HZ3 -0.0184 0.0385 -0.0282 582 ASP 66 N 0.0247 0.0089 0.0324 583 ASP 66 CA 0.0240 0.0103 0.0272 584 ASP 66 C 0.0241 0.0094 0.0254 585 ASP 66 O 0.0242 0.0084 0.0210 586 ASP 66 CB 0.0224 0.0156 0.0266 587 ASP 66 CG 0.0217 0.0170 0.0211 588 ASP 66 OD1 0.0217 0.0166 0.0189 589 ASP 66 OD2 0.0211 0.0187 0.0190 590 ASP 66 H 0.0241 0.0114 0.0350 591 ASP 66 HA 0.0245 0.0081 0.0250 592 ASP 66 HB2 0.0223 0.0162 0.0284 593 ASP 66 HB3 0.0219 0.0177 0.0284 594 HIS 67 N 0.0130 0.0018 0.0222 595 HIS 67 CA 0.0127 0.0014 0.0201 596 HIS 67 C 0.0101 0.0025 0.0203 597 HIS 67 O 0.0101 0.0026 0.0206 598 HIS 67 CB 0.0127 0.0006 0.0170 599 HIS 67 CG 0.0128 0.0000 0.0146 600 HIS 67 ND1 0.0141 -0.0004 0.0150 601 HIS 67 CD2 0.0124 -0.0005 0.0118 602 HIS 67 CE1 0.0146 -0.0012 0.0125 603 HIS 67 NE2 0.0136 -0.0013 0.0105 604 HIS 67 H 0.0130 0.0016 0.0215 605 HIS 67 HA 0.0144 0.0008 0.0205 606 HIS 67 HB2 0.0146 -0.0002 0.0166 607 HIS 67 HB3 0.0110 0.0012 0.0164 608 HIS 67 HD1 0.0147 -0.0002 0.0169 609 HIS 67 HD2 0.0109 -0.0001 0.0110 610 HIS 67 HE1 0.0157 -0.0018 0.0121 611 LYS 68 N 0.0085 -0.0070 0.0108 612 LYS 68 CA 0.0066 -0.0038 0.0112 613 LYS 68 C 0.0065 -0.0023 0.0150 614 LYS 68 O 0.0055 -0.0002 0.0166 615 LYS 68 CB 0.0051 -0.0020 0.0083 616 LYS 68 CG 0.0054 -0.0037 0.0045 617 LYS 68 CD 0.0038 -0.0019 0.0016 618 LYS 68 CE 0.0038 -0.0019 0.0020 619 LYS 68 NZ 0.0023 -0.0003 -0.0009 620 LYS 68 H 0.0085 -0.0075 0.0092 621 LYS 68 HA 0.0066 -0.0038 0.0110 622 LYS 68 HB2 0.0051 -0.0019 0.0087 623 LYS 68 HB3 0.0037 0.0003 0.0084 624 LYS 68 HG2 0.0056 -0.0042 0.0040 625 LYS 68 HG3 0.0067 -0.0061 0.0043 626 LYS 68 HD2 0.0024 0.0005 0.0018 627 LYS 68 HD3 0.0039 -0.0031 -0.0011 628 LYS 68 HE2 0.0052 -0.0043 0.0019 629 LYS 68 HE3 0.0035 -0.0006 0.0045 630 LYS 68 HZ1 0.0009 0.0020 -0.0010 631 LYS 68 HZ2 0.0024 -0.0004 -0.0007 632 LYS 68 HZ3 0.0026 -0.0016 -0.0034 633 LYS 69 N 0.0203 -0.0002 0.0122 634 LYS 69 CA 0.0183 -0.0033 0.0036 635 LYS 69 C 0.0132 -0.0008 0.0009 636 LYS 69 O 0.0141 -0.0042 -0.0041 637 LYS 69 CB 0.0146 -0.0021 0.0004 638 LYS 69 CG 0.0101 -0.0032 -0.0081 639 LYS 69 CD 0.0064 -0.0010 -0.0095 640 LYS 69 CE 0.0013 -0.0014 -0.0176 641 LYS 69 NZ -0.0023 0.0012 -0.0180 642 LYS 69 H 0.0193 0.0018 0.0145 643 LYS 69 HA 0.0229 -0.0080 0.0016 644 LYS 69 HB2 0.0186 -0.0048 0.0012 645 LYS 69 HB3 0.0112 0.0025 0.0041 646 LYS 69 HG2 0.0064 -0.0007 -0.0087 647 LYS 69 HG3 0.0135 -0.0079 -0.0120 648 LYS 69 HD2 0.0104 -0.0037 -0.0086 649 LYS 69 HD3 0.0036 0.0036 -0.0050 650 LYS 69 HE2 -0.0027 0.0010 -0.0188 651 LYS 69 HE3 0.0041 -0.0060 -0.0220 652 LYS 69 HZ1 -0.0061 0.0012 -0.0235 653 LYS 69 HZ2 -0.0049 0.0056 -0.0136 654 LYS 69 HZ3 0.0014 -0.0011 -0.0167 655 ARG 70 N 0.0209 -0.0069 0.0241 656 ARG 70 CA 0.0085 0.0013 0.0140 657 ARG 70 C 0.0131 -0.0029 0.0166 658 ARG 70 O 0.0064 -0.0049 0.0045 659 ARG 70 CB -0.0014 0.0213 0.0198 660 ARG 70 CG -0.0153 0.0306 0.0085 661 ARG 70 CD -0.0233 0.0231 -0.0111 662 ARG 70 NE -0.0364 0.0311 -0.0225 663 ARG 70 CZ -0.0422 0.0229 -0.0397 664 ARG 70 NH1 -0.0360 0.0061 -0.0476 665 ARG 70 NH2 -0.0542 0.0314 -0.0489 666 ARG 70 H 0.0226 0.0008 0.0347 667 ARG 70 HA 0.0032 -0.0045 0.0001 668 ARG 70 HB2 -0.0033 0.0242 0.0200 669 ARG 70 HB3 0.0040 0.0266 0.0334 670 ARG 70 HG2 -0.0218 0.0445 0.0132 671 ARG 70 HG3 -0.0132 0.0286 0.0096 672 ARG 70 HD2 -0.0167 0.0090 -0.0157 673 ARG 70 HD3 -0.0256 0.0254 -0.0123 674 ARG 70 HE -0.0410 0.0434 -0.0168 675 ARG 70 HH11 -0.0269 -0.0009 -0.0413 676 ARG 70 HH12 -0.0402 -0.0002 -0.0605 677 ARG 70 HH21 -0.0591 0.0440 -0.0433 678 ARG 70 HH22 -0.0591 0.0259 -0.0619 679 LEU 71 N 0.0109 -0.0052 0.0177 680 LEU 71 CA 0.0088 -0.0065 0.0154 681 LEU 71 C 0.0064 -0.0069 0.0164 682 LEU 71 O 0.0056 -0.0076 0.0146 683 LEU 71 CB 0.0073 -0.0071 0.0146 684 LEU 71 CG 0.0094 -0.0068 0.0135 685 LEU 71 CD1 0.0075 -0.0076 0.0127 686 LEU 71 CD2 0.0115 -0.0069 0.0108 687 LEU 71 H 0.0108 -0.0050 0.0187 688 LEU 71 HA 0.0101 -0.0066 0.0133 689 LEU 71 HB2 0.0060 -0.0070 0.0167 690 LEU 71 HB3 0.0058 -0.0081 0.0129 691 LEU 71 HG 0.0107 -0.0059 0.0153 692 LEU 71 HD11 0.0061 -0.0085 0.0108 693 LEU 71 HD12 0.0060 -0.0075 0.0146 694 LEU 71 HD13 0.0090 -0.0074 0.0119 695 LEU 71 HD21 0.0130 -0.0063 0.0115 696 LEU 71 HD22 0.0103 -0.0078 0.0089 697 LEU 71 HD23 0.0129 -0.0067 0.0101 698 LYS 72 N -0.0071 -0.0305 0.0179 699 LYS 72 CA 0.0056 -0.0073 0.0185 700 LYS 72 C 0.0242 -0.0036 0.0319 701 LYS 72 O 0.0406 0.0062 0.0410 702 LYS 72 CB -0.0059 0.0115 0.0014 703 LYS 72 CG 0.0057 0.0366 0.0003 704 LYS 72 CD -0.0071 0.0538 -0.0172 705 LYS 72 CE 0.0043 0.0789 -0.0184 706 LYS 72 NZ -0.0082 0.0958 -0.0355 707 LYS 72 H -0.0205 -0.0319 0.0077 708 LYS 72 HA 0.0100 -0.0059 0.0214 709 LYS 72 HB2 -0.0191 0.0083 -0.0079 710 LYS 72 HB3 -0.0104 0.0097 -0.0015 711 LYS 72 HG2 0.0181 0.0405 0.0087 712 LYS 72 HG3 0.0110 0.0385 0.0038 713 LYS 72 HD2 -0.0197 0.0497 -0.0256 714 LYS 72 HD3 -0.0123 0.0520 -0.0206 715 LYS 72 HE2 0.0165 0.0831 -0.0103 716 LYS 72 HE3 0.0101 0.0803 -0.0144 717 LYS 72 HZ1 -0.0138 0.0950 -0.0397 718 LYS 72 HZ2 -0.0200 0.0923 -0.0436 719 LYS 72 HZ3 0.0000 0.1129 -0.0360 720 GLN 73 N 0.0162 -0.0013 0.0152 721 GLN 73 CA 0.0099 -0.0029 0.0139 722 GLN 73 C 0.0085 -0.0008 0.0291 723 GLN 73 O 0.0116 0.0002 0.0306 724 GLN 73 CB -0.0052 -0.0076 0.0070 725 GLN 73 CG -0.0049 -0.0100 -0.0086 726 GLN 73 CD -0.0202 -0.0146 -0.0148 727 GLN 73 OE1 -0.0312 -0.0158 -0.0065 728 GLN 73 NE2 -0.0210 -0.0171 -0.0292 729 GLN 73 H 0.0101 -0.0030 0.0134 730 GLN 73 HA 0.0172 -0.0024 0.0067 731 GLN 73 HB2 -0.0123 -0.0081 0.0141 732 GLN 73 HB3 -0.0097 -0.0087 0.0065 733 GLN 73 HG2 0.0016 -0.0097 -0.0159 734 GLN 73 HG3 -0.0001 -0.0089 -0.0083 735 GLN 73 HE21 -0.0119 -0.0160 -0.0351 736 GLN 73 HE22 -0.0305 -0.0201 -0.0339 737 LEU 74 N 0.0201 -0.0006 0.0203 738 LEU 74 CA 0.0264 -0.0096 0.0172 739 LEU 74 C 0.0246 -0.0162 0.0157 740 LEU 74 O 0.0307 -0.0230 0.0132 741 LEU 74 CB 0.0244 -0.0155 0.0159 742 LEU 74 CG 0.0313 -0.0247 0.0127 743 LEU 74 CD1 0.0427 -0.0214 0.0122 744 LEU 74 CD2 0.0281 -0.0298 0.0117 745 LEU 74 H 0.0138 -0.0006 0.0211 746 LEU 74 HA 0.0344 -0.0070 0.0170 747 LEU 74 HB2 0.0248 -0.0104 0.0172 748 LEU 74 HB3 0.0165 -0.0182 0.0161 749 LEU 74 HG 0.0303 -0.0301 0.0114 750 LEU 74 HD11 0.0474 -0.0279 0.0099 751 LEU 74 HD12 0.0439 -0.0157 0.0135 752 LEU 74 HD13 0.0451 -0.0181 0.0127 753 LEU 74 HD21 0.0290 -0.0245 0.0130 754 LEU 74 HD22 0.0330 -0.0362 0.0094 755 LEU 74 HD23 0.0201 -0.0324 0.0120 756 SER 75 N -0.0112 -0.0137 0.0267 757 SER 75 CA -0.0571 -0.0149 0.0082 758 SER 75 C -0.0365 0.0319 -0.0315 759 SER 75 O -0.0751 0.0448 -0.0613 760 SER 75 CB -0.1270 -0.0256 -0.0106 761 SER 75 OG -0.1727 -0.0299 -0.0256 762 SER 75 H 0.0193 -0.0326 0.0593 763 SER 75 HA -0.0539 -0.0438 0.0396 764 SER 75 HB2 -0.1387 -0.0590 0.0190 765 SER 75 HB3 -0.1298 0.0033 -0.0417 766 SER 75 HG -0.2080 -0.0579 -0.0117 767 VAL 76 N -0.0039 -0.0120 -0.0007 768 VAL 76 CA -0.0039 -0.0134 -0.0085 769 VAL 76 C -0.0120 -0.0135 -0.0096 770 VAL 76 O -0.0166 -0.0145 -0.0154 771 VAL 76 CB 0.0033 -0.0135 -0.0091 772 VAL 76 CG1 0.0031 -0.0149 -0.0172 773 VAL 76 CG2 0.0114 -0.0134 -0.0081 774 VAL 76 H 0.0001 -0.0113 0.0035 775 VAL 76 HA -0.0034 -0.0142 -0.0132 776 VAL 76 HB 0.0026 -0.0127 -0.0043 777 VAL 76 HG11 0.0082 -0.0150 -0.0175 778 VAL 76 HG12 0.0035 -0.0158 -0.0220 779 VAL 76 HG13 -0.0026 -0.0150 -0.0176 780 VAL 76 HG21 0.0163 -0.0135 -0.0085 781 VAL 76 HG22 0.0115 -0.0124 -0.0023 782 VAL 76 HG23 0.0120 -0.0143 -0.0128 783 GLU 77 N -0.0099 -0.0126 0.0030 784 GLU 77 CA -0.0141 -0.0134 0.0037 785 GLU 77 C -0.0160 -0.0134 0.0092 786 GLU 77 O -0.0139 -0.0127 0.0124 787 GLU 77 CB -0.0130 -0.0134 0.0018 788 GLU 77 CG -0.0084 -0.0123 0.0039 789 GLU 77 CD -0.0077 -0.0123 0.0021 790 GLU 77 OE1 -0.0063 -0.0123 -0.0023 791 GLU 77 OE2 -0.0086 -0.0122 0.0051 792 GLU 77 H -0.0076 -0.0120 0.0058 793 GLU 77 HA -0.0170 -0.0142 0.0014 794 GLU 77 HB2 -0.0161 -0.0139 0.0030 795 GLU 77 HB3 -0.0128 -0.0136 -0.0022 796 GLU 77 HG2 -0.0052 -0.0117 0.0027 797 GLU 77 HG3 -0.0086 -0.0120 0.0079 798 PRO 78 N -0.0079 -0.0140 0.0086 799 PRO 78 CA -0.0072 -0.0102 0.0054 800 PRO 78 C -0.0109 -0.0116 0.0082 801 PRO 78 O -0.0098 -0.0166 0.0115 802 PRO 78 CB 0.0003 -0.0117 0.0030 803 PRO 78 CG 0.0034 -0.0149 0.0040 804 PRO 78 CD -0.0016 -0.0180 0.0087 805 PRO 78 HA -0.0091 -0.0056 0.0028 806 PRO 78 HB2 0.0014 -0.0144 0.0046 807 PRO 78 HB3 0.0019 -0.0078 -0.0007 808 PRO 78 HG2 0.0080 -0.0180 0.0043 809 PRO 78 HG3 0.0043 -0.0118 0.0013 810 PRO 78 HD2 -0.0009 -0.0222 0.0116 811 PRO 78 HD3 -0.0011 -0.0184 0.0088 812 TYR 79 N -0.0243 0.0030 0.0103 813 TYR 79 CA -0.0342 0.0046 0.0048 814 TYR 79 C -0.0439 -0.0073 0.0071 815 TYR 79 O -0.0423 -0.0150 0.0123 816 TYR 79 CB -0.0288 0.0103 0.0040 817 TYR 79 CG -0.0207 0.0229 0.0005 818 TYR 79 CD1 -0.0078 0.0248 0.0055 819 TYR 79 CD2 -0.0261 0.0330 -0.0079 820 TYR 79 CE1 -0.0004 0.0363 0.0023 821 TYR 79 CE2 -0.0189 0.0446 -0.0112 822 TYR 79 CZ -0.0060 0.0462 -0.0061 823 TYR 79 OH 0.0013 0.0578 -0.0094 824 TYR 79 H -0.0242 0.0069 0.0081 825 TYR 79 HA -0.0392 0.0107 -0.0012 826 TYR 79 HB2 -0.0230 0.0046 0.0100 827 TYR 79 HB3 -0.0367 0.0108 0.0000 828 TYR 79 HD1 -0.0034 0.0170 0.0120 829 TYR 79 HD2 -0.0362 0.0318 -0.0119 830 TYR 79 HE1 0.0097 0.0374 0.0063 831 TYR 79 HE2 -0.0233 0.0524 -0.0178 832 TYR 79 HH -0.0034 0.0618 -0.0139 833 SER 80 N -0.0239 -0.0023 0.0030 834 SER 80 CA -0.0211 -0.0016 0.0007 835 SER 80 C -0.0164 -0.0020 -0.0028 836 SER 80 O -0.0157 -0.0018 -0.0035 837 SER 80 CB -0.0214 -0.0059 0.0022 838 SER 80 OG -0.0191 -0.0053 0.0001 839 SER 80 H -0.0237 -0.0059 0.0039 840 SER 80 HA -0.0221 0.0022 0.0004 841 SER 80 HB2 -0.0248 -0.0058 0.0047 842 SER 80 HB3 -0.0203 -0.0097 0.0023 843 SER 80 HG -0.0209 -0.0026 0.0008 844 GLN 81 N 0.0062 -0.0011 -0.0098 845 GLN 81 CA 0.0076 -0.0012 -0.0113 846 GLN 81 C 0.0079 -0.0030 -0.0124 847 GLN 81 O 0.0068 -0.0044 -0.0120 848 GLN 81 CB 0.0077 -0.0014 -0.0114 849 GLN 81 CG 0.0092 -0.0012 -0.0130 850 GLN 81 CD 0.0093 -0.0015 -0.0132 851 GLN 81 OE1 0.0083 -0.0026 -0.0126 852 GLN 81 NE2 0.0106 -0.0005 -0.0140 853 GLN 81 H 0.0053 -0.0014 -0.0090 854 GLN 81 HA 0.0084 0.0000 -0.0116 855 GLN 81 HB2 0.0073 -0.0002 -0.0105 856 GLN 81 HB3 0.0070 -0.0027 -0.0113 857 GLN 81 HG2 0.0096 -0.0022 -0.0139 858 GLN 81 HG3 0.0099 0.0002 -0.0130 859 GLN 81 HE21 0.0113 0.0003 -0.0144 860 GLN 81 HE22 0.0107 -0.0007 -0.0142 861 GLU 82 N 0.0186 -0.0070 -0.0095 862 GLU 82 CA 0.0184 -0.0063 -0.0084 863 GLU 82 C 0.0185 -0.0077 -0.0094 864 GLU 82 O 0.0184 -0.0075 -0.0087 865 GLU 82 CB 0.0186 -0.0036 -0.0085 866 GLU 82 CG 0.0184 -0.0026 -0.0073 867 GLU 82 CD 0.0186 -0.0000 -0.0074 868 GLU 82 OE1 0.0190 0.0009 -0.0092 869 GLU 82 OE2 0.0183 0.0012 -0.0056 870 GLU 82 H 0.0183 -0.0081 -0.0086 871 GLU 82 HA 0.0180 -0.0068 -0.0066 872 GLU 82 HB2 0.0185 -0.0027 -0.0077 873 GLU 82 HB3 0.0190 -0.0031 -0.0103 874 GLU 82 HG2 0.0185 -0.0034 -0.0082 875 GLU 82 HG3 0.0180 -0.0032 -0.0055 876 GLU 83 N 0.0133 -0.0024 -0.0257 877 GLU 83 CA 0.0175 -0.0035 -0.0293 878 GLU 83 C 0.0285 0.0058 -0.0234 879 GLU 83 O 0.0398 0.0060 -0.0292 880 GLU 83 CB 0.0053 -0.0066 -0.0267 881 GLU 83 CG 0.0085 -0.0079 -0.0301 882 GLU 83 CD -0.0040 -0.0120 -0.0286 883 GLU 83 OE1 -0.0101 -0.0070 -0.0189 884 GLU 83 OE2 -0.0080 -0.0206 -0.0373 885 GLU 83 H 0.0106 0.0029 -0.0175 886 GLU 83 HA 0.0218 -0.0089 -0.0384 887 GLU 83 HB2 -0.0019 -0.0133 -0.0313 888 GLU 83 HB3 0.0006 -0.0014 -0.0176 889 GLU 83 HG2 0.0147 -0.0011 -0.0247 890 GLU 83 HG3 0.0140 -0.0126 -0.0390 891 ALA 84 N 0.0204 -0.0044 -0.0215 892 ALA 84 CA 0.0340 0.0014 -0.0122 893 ALA 84 C 0.0382 0.0062 -0.0026 894 ALA 84 O 0.0459 0.0123 0.0089 895 ALA 84 CB 0.0299 0.0051 -0.0029 896 ALA 84 H 0.0094 -0.0038 -0.0169 897 ALA 84 HA 0.0443 -0.0006 -0.0197 898 ALA 84 HB1 0.0400 0.0094 0.0040 899 ALA 84 HB2 0.0192 0.0068 0.0041 900 ALA 84 HB3 0.0281 0.0016 -0.0102 901 GLU 85 N 0.0202 -0.0139 -0.0095 902 GLU 85 CA 0.0141 -0.0177 -0.0097 903 GLU 85 C 0.0101 -0.0127 -0.0095 904 GLU 85 O 0.0117 -0.0121 -0.0094 905 GLU 85 CB 0.0163 -0.0245 -0.0099 906 GLU 85 CG 0.0105 -0.0297 -0.0102 907 GLU 85 CD 0.0051 -0.0277 -0.0101 908 GLU 85 OE1 0.0063 -0.0292 -0.0102 909 GLU 85 OE2 -0.0003 -0.0245 -0.0100 910 GLU 85 H 0.0207 -0.0094 -0.0093 911 GLU 85 HA 0.0111 -0.0189 -0.0097 912 GLU 85 HB2 0.0204 -0.0270 -0.0100 913 GLU 85 HB3 0.0184 -0.0230 -0.0099 914 GLU 85 HG2 0.0079 -0.0292 -0.0102 915 GLU 85 HG3 0.0126 -0.0348 -0.0104 916 ARG 86 N 0.0146 -0.0262 0.0197 917 ARG 86 CA 0.0091 -0.0202 0.0178 918 ARG 86 C -0.0006 -0.0210 0.0163 919 ARG 86 O -0.0031 -0.0231 0.0162 920 ARG 86 CB 0.0128 -0.0105 0.0168 921 ARG 86 CG 0.0156 -0.0073 0.0167 922 ARG 86 CD 0.0081 -0.0070 0.0154 923 ARG 86 NE 0.0114 -0.0047 0.0156 924 ARG 86 CZ 0.0069 -0.0055 0.0150 925 ARG 86 NH1 -0.0015 -0.0082 0.0140 926 ARG 86 NH2 0.0108 -0.0036 0.0153 927 ARG 86 H 0.0145 -0.0261 0.0196 928 ARG 86 HA 0.0097 -0.0222 0.0182 929 ARG 86 HB2 0.0078 -0.0062 0.0152 930 ARG 86 HB3 0.0184 -0.0098 0.0176 931 ARG 86 HG2 0.0185 -0.0007 0.0161 932 ARG 86 HG3 0.0206 -0.0117 0.0183 933 ARG 86 HD2 0.0048 -0.0134 0.0159 934 ARG 86 HD3 0.0036 -0.0021 0.0138 935 ARG 86 HE 0.0176 -0.0025 0.0163 936 ARG 86 HH11 -0.0048 -0.0097 0.0137 937 ARG 86 HH12 -0.0050 -0.0088 0.0135 938 ARG 86 HH21 0.0171 -0.0015 0.0160 939 ARG 86 HH22 0.0077 -0.0041 0.0149 940 ALA 87 N -0.0126 -0.0187 0.0139 941 ALA 87 CA -0.0424 -0.0202 -0.0041 942 ALA 87 C -0.0652 0.0170 0.0495 943 ALA 87 O -0.0617 0.0210 0.0584 944 ALA 87 CB 0.0077 -0.0482 -0.0275 945 ALA 87 H 0.0314 -0.0189 0.0360 946 ALA 87 HA -0.0829 -0.0279 -0.0381 947 ALA 87 HB1 0.0488 -0.0409 0.0062 948 ALA 87 HB2 0.0236 -0.0744 -0.0654 949 ALA 87 HB3 -0.0137 -0.0489 -0.0397 950 ALA 88 N -0.0370 -0.0122 -0.0049 951 ALA 88 CA -0.0456 0.0035 0.0166 952 ALA 88 C -0.0758 0.0297 0.0142 953 ALA 88 O -0.0846 0.0454 0.0349 954 ALA 88 CB -0.0293 0.0024 0.0536 955 ALA 88 H -0.0430 -0.0063 -0.0034 956 ALA 88 HA -0.0421 -0.0033 0.0069 957 ALA 88 HB1 -0.0328 0.0094 0.0637 958 ALA 88 HB2 -0.0078 -0.0166 0.0545 959 ALA 88 HB3 -0.0359 0.0140 0.0689 960 GLY 89 N 0.0754 0.0048 -0.0309 961 GLY 89 CA 0.0412 0.0224 -0.0349 962 GLY 89 C 0.0453 0.0235 -0.0561 963 GLY 89 O 0.0640 0.0122 -0.0427 964 GLY 89 H 0.0966 -0.0033 -0.0476 965 GLY 89 HA2 0.0285 0.0244 -0.0056 966 GLY 89 HA3 0.0247 0.0330 -0.0515 967 MET 90 N 0.0027 -0.0009 0.0061 968 MET 90 CA 0.0023 -0.0008 0.0045 969 MET 90 C 0.0018 0.0002 0.0044 970 MET 90 O 0.0019 -0.0001 0.0045 971 MET 90 CB 0.0027 -0.0023 0.0037 972 MET 90 CG 0.0022 -0.0023 0.0019 973 MET 90 SD 0.0016 -0.0013 0.0012 974 MET 90 CE 0.0013 -0.0017 -0.0007 975 MET 90 H 0.0027 -0.0006 0.0065 976 MET 90 HA 0.0019 -0.0004 0.0041 977 MET 90 HB2 0.0031 -0.0030 0.0039 978 MET 90 HB3 0.0030 -0.0026 0.0041 979 MET 90 HG2 0.0020 -0.0020 0.0016 980 MET 90 HG3 0.0026 -0.0034 0.0015 981 MET 90 HE1 0.0010 -0.0015 -0.0011 982 MET 90 HE2 0.0009 -0.0012 -0.0013 983 MET 90 HE3 0.0017 -0.0029 -0.0010 984 GLY 91 N -0.0099 -0.0044 0.0087 985 GLY 91 CA -0.0062 0.0008 0.0001 986 GLY 91 C -0.0055 -0.0029 0.0059 987 GLY 91 O 0.0057 -0.0043 0.0068 988 GLY 91 H -0.0039 -0.0091 0.0155 989 GLY 91 HA2 -0.0140 0.0056 -0.0066 990 GLY 91 HA3 0.0039 0.0027 -0.0039 991 SER 92 N 0.0006 0.0025 0.0002 992 SER 92 CA -0.0020 0.0015 -0.0007 993 SER 92 C -0.0039 0.0030 0.0002 994 SER 92 O -0.0034 0.0033 0.0004 995 SER 92 CB -0.0017 -0.0009 -0.0023 996 SER 92 OG 0.0002 -0.0022 -0.0031 997 SER 92 H 0.0017 0.0026 0.0003 998 SER 92 HA -0.0028 0.0015 -0.0007 999 SER 92 HB2 -0.0008 -0.0009 -0.0022 1000 SER 92 HB3 -0.0037 -0.0017 -0.0029 1001 SER 92 HG 0.0010 -0.0011 -0.0023 1002 TYR 93 N 0.0019 -0.0010 0.0002 1003 TYR 93 CA 0.0014 -0.0007 0.0000 1004 TYR 93 C 0.0007 -0.0008 -0.0005 1005 TYR 93 O 0.0007 -0.0010 -0.0006 1006 TYR 93 CB 0.0013 0.0001 0.0004 1007 TYR 93 CG 0.0008 0.0006 0.0004 1008 TYR 93 CD1 0.0011 0.0007 0.0006 1009 TYR 93 CD2 0.0002 0.0009 0.0001 1010 TYR 93 CE1 0.0006 0.0011 0.0005 1011 TYR 93 CE2 -0.0002 0.0013 0.0000 1012 TYR 93 CZ -0.0000 0.0014 0.0002 1013 TYR 93 OH -0.0005 0.0018 0.0002 1014 TYR 93 H 0.0019 -0.0009 0.0003 1015 TYR 93 HA 0.0015 -0.0009 -0.0000 1016 TYR 93 HB2 0.0018 0.0002 0.0008 1017 TYR 93 HB3 0.0012 0.0003 0.0004 1018 TYR 93 HD1 0.0016 0.0004 0.0008 1019 TYR 93 HD2 0.0000 0.0008 -0.0000 1020 TYR 93 HE1 0.0008 0.0012 0.0006 1021 TYR 93 HE2 -0.0008 0.0015 -0.0002 1022 TYR 93 HH -0.0009 0.0016 -0.0002 1023 VAL 94 N -0.0006 -0.0002 0.0001 1024 VAL 94 CA -0.0001 0.0001 0.0001 1025 VAL 94 C -0.0000 0.0001 0.0001 1026 VAL 94 O 0.0001 -0.0003 0.0000 1027 VAL 94 CB 0.0004 -0.0001 0.0000 1028 VAL 94 CG1 0.0005 -0.0006 -0.0001 1029 VAL 94 CG2 0.0009 0.0003 0.0001 1030 VAL 94 H -0.0005 -0.0005 0.0000 1031 VAL 94 HA -0.0002 0.0005 0.0002 1032 VAL 94 HB 0.0004 0.0000 0.0001 1033 VAL 94 HG11 0.0009 -0.0007 -0.0001 1034 VAL 94 HG12 0.0006 -0.0007 -0.0001 1035 VAL 94 HG13 0.0002 -0.0009 -0.0001 1036 VAL 94 HG21 0.0010 0.0002 0.0001 1037 VAL 94 HG22 0.0013 0.0002 0.0000 1038 VAL 94 HG23 0.0008 0.0007 0.0002