1 ASP 28 N 0.0248 0.0089 -0.0331 2 ASP 28 CA 0.0134 0.0108 -0.0230 3 ASP 28 C 0.0064 0.0018 -0.0151 4 ASP 28 O 0.0071 0.0024 -0.0159 5 ASP 28 CB 0.0088 0.0272 -0.0216 6 ASP 28 CG -0.0030 0.0301 -0.0114 7 ASP 28 OD1 -0.0050 0.0278 -0.0092 8 ASP 28 OD2 -0.0102 0.0355 -0.0057 9 ASP 28 H 0.0298 0.0151 -0.0387 10 ASP 28 HA 0.0134 0.0068 -0.0223 11 ASP 28 HB2 0.0139 0.0333 -0.0273 12 ASP 28 HB3 0.0091 0.0311 -0.0226 13 PRO 29 N 0.0105 -0.0071 0.0044 14 PRO 29 CA -0.0010 0.0045 -0.0097 15 PRO 29 C -0.0118 0.0150 -0.0231 16 PRO 29 O -0.0162 0.0040 -0.0296 17 PRO 29 CB -0.0074 -0.0143 -0.0193 18 PRO 29 CG 0.0033 -0.0334 -0.0066 19 PRO 29 CD 0.0116 -0.0316 0.0043 20 PRO 29 HA 0.0028 0.0174 -0.0041 21 PRO 29 HB2 -0.0169 -0.0187 -0.0319 22 PRO 29 HB3 -0.0098 -0.0080 -0.0220 23 PRO 29 HG2 -0.0017 -0.0494 -0.0142 24 PRO 29 HG3 0.0099 -0.0319 0.0021 25 PRO 29 HD2 0.0072 -0.0415 -0.0021 26 PRO 29 HD3 0.0222 -0.0373 0.0178 27 ASN 30 N -0.0131 0.0155 -0.0167 28 ASN 30 CA -0.0142 0.0159 -0.0113 29 ASN 30 C -0.0072 0.0125 -0.0001 30 ASN 30 O 0.0019 0.0086 -0.0005 31 ASN 30 CB -0.0122 0.0152 -0.0206 32 ASN 30 CG -0.0130 0.0154 -0.0158 33 ASN 30 OD1 -0.0217 0.0192 -0.0157 34 ASN 30 ND2 -0.0039 0.0114 -0.0123 35 ASN 30 H -0.0197 0.0184 -0.0184 36 ASN 30 HA -0.0227 0.0194 -0.0084 37 ASN 30 HB2 -0.0182 0.0180 -0.0276 38 ASN 30 HB3 -0.0041 0.0118 -0.0241 39 ASN 30 HD21 0.0030 0.0085 -0.0128 40 ASN 30 HD22 -0.0043 0.0115 -0.0091 41 ALA 31 N -0.0081 0.0165 0.0163 42 ALA 31 CA -0.0062 0.0140 0.0212 43 ALA 31 C -0.0110 0.0133 0.0251 44 ALA 31 O -0.0131 0.0137 0.0253 45 ALA 31 CB -0.0023 0.0135 0.0206 46 ALA 31 H -0.0120 0.0176 0.0157 47 ALA 31 HA -0.0039 0.0129 0.0227 48 ALA 31 HB1 -0.0007 0.0116 0.0243 49 ALA 31 HB2 -0.0045 0.0145 0.0192 50 ALA 31 HB3 0.0012 0.0140 0.0178 51 GLU 32 N -0.0049 -0.0002 0.0157 52 GLU 32 CA -0.0066 -0.0062 0.0121 53 GLU 32 C -0.0064 -0.0028 0.0111 54 GLU 32 O -0.0079 -0.0059 0.0067 55 GLU 32 CB -0.0065 -0.0139 0.0174 56 GLU 32 CG -0.0043 -0.0129 0.0258 57 GLU 32 CD -0.0043 -0.0209 0.0305 58 GLU 32 OE1 -0.0051 -0.0253 0.0300 59 GLU 32 OE2 -0.0036 -0.0230 0.0346 60 GLU 32 H -0.0036 -0.0008 0.0215 61 GLU 32 HA -0.0081 -0.0074 0.0065 62 GLU 32 HB2 -0.0078 -0.0183 0.0144 63 GLU 32 HB3 -0.0067 -0.0161 0.0179 64 GLU 32 HG2 -0.0030 -0.0088 0.0289 65 GLU 32 HG3 -0.0041 -0.0105 0.0253 66 PHE 33 N 0.0009 0.0019 0.0188 67 PHE 33 CA -0.0001 0.0022 0.0177 68 PHE 33 C -0.0018 0.0041 0.0174 69 PHE 33 O -0.0020 0.0053 0.0182 70 PHE 33 CB 0.0007 0.0023 0.0189 71 PHE 33 CG 0.0011 0.0037 0.0210 72 PHE 33 CD1 0.0000 0.0056 0.0214 73 PHE 33 CD2 0.0027 0.0031 0.0225 74 PHE 33 CE1 0.0004 0.0069 0.0233 75 PHE 33 CE2 0.0031 0.0044 0.0244 76 PHE 33 CZ 0.0019 0.0063 0.0248 77 PHE 33 H 0.0013 0.0026 0.0202 78 PHE 33 HA -0.0002 0.0011 0.0164 79 PHE 33 HB2 -0.0001 0.0027 0.0182 80 PHE 33 HB3 0.0018 0.0009 0.0190 81 PHE 33 HD1 -0.0012 0.0061 0.0203 82 PHE 33 HD2 0.0036 0.0016 0.0222 83 PHE 33 HE1 -0.0005 0.0084 0.0236 84 PHE 33 HE2 0.0043 0.0039 0.0256 85 PHE 33 HZ 0.0023 0.0073 0.0263 86 ASP 34 N 0.0016 0.0065 0.0162 87 ASP 34 CA -0.0026 0.0001 0.0208 88 ASP 34 C -0.0095 -0.0047 0.0155 89 ASP 34 O -0.0112 -0.0030 0.0079 90 ASP 34 CB -0.0014 0.0004 0.0227 91 ASP 34 CG -0.0051 -0.0060 0.0283 92 ASP 34 OD1 -0.0109 -0.0106 0.0254 93 ASP 34 OD2 -0.0022 -0.0064 0.0359 94 ASP 34 H 0.0021 0.0091 0.0115 95 ASP 34 HA -0.0016 -0.0016 0.0266 96 ASP 34 HB2 0.0037 0.0042 0.0257 97 ASP 34 HB3 -0.0028 0.0016 0.0169 98 PRO 35 N -0.0082 -0.0066 0.0234 99 PRO 35 CA -0.0142 -0.0123 0.0180 100 PRO 35 C -0.0199 -0.0184 0.0169 101 PRO 35 O -0.0252 -0.0236 0.0127 102 PRO 35 CB -0.0158 -0.0151 0.0237 103 PRO 35 CG -0.0137 -0.0143 0.0338 104 PRO 35 CD -0.0077 -0.0076 0.0335 105 PRO 35 HA -0.0134 -0.0102 0.0109 106 PRO 35 HB2 -0.0210 -0.0206 0.0225 107 PRO 35 HB3 -0.0132 -0.0118 0.0217 108 PRO 35 HG2 -0.0174 -0.0189 0.0366 109 PRO 35 HG3 -0.0125 -0.0138 0.0381 110 PRO 35 HD2 -0.0077 -0.0084 0.0382 111 PRO 35 HD3 -0.0034 -0.0031 0.0352 112 ASP 36 N -0.0252 -0.0274 0.0219 113 ASP 36 CA -0.0360 -0.0437 0.0215 114 ASP 36 C -0.0333 -0.0366 0.0055 115 ASP 36 O -0.0429 -0.0488 -0.0066 116 ASP 36 CB -0.0370 -0.0499 0.0473 117 ASP 36 CG -0.0478 -0.0661 0.0479 118 ASP 36 OD1 -0.0602 -0.0841 0.0444 119 ASP 36 OD2 -0.0439 -0.0611 0.0521 120 ASP 36 H -0.0161 -0.0157 0.0321 121 ASP 36 HA -0.0457 -0.0568 0.0140 122 ASP 36 HB2 -0.0396 -0.0558 0.0579 123 ASP 36 HB3 -0.0271 -0.0364 0.0555 124 LEU 37 N -0.0151 0.0016 0.0016 125 LEU 37 CA -0.0123 0.0071 -0.0072 126 LEU 37 C -0.0149 0.0094 -0.0120 127 LEU 37 O -0.0129 0.0078 -0.0085 128 LEU 37 CB -0.0014 0.0093 -0.0075 129 LEU 37 CG 0.0019 0.0087 -0.0056 130 LEU 37 CD1 -0.0037 0.0113 -0.0118 131 LEU 37 CD2 0.0006 0.0032 0.0038 132 LEU 37 H -0.0106 -0.0003 0.0063 133 LEU 37 HA -0.0167 0.0081 -0.0104 134 LEU 37 HB2 0.0027 0.0074 -0.0029 135 LEU 37 HB3 0.0007 0.0133 -0.0139 136 LEU 37 HG 0.0096 0.0108 -0.0067 137 LEU 37 HD11 -0.0012 0.0109 -0.0104 138 LEU 37 HD12 -0.0115 0.0095 -0.0112 139 LEU 37 HD13 -0.0022 0.0153 -0.0184 140 LEU 37 HD21 0.0029 0.0030 0.0048 141 LEU 37 HD22 0.0051 0.0015 0.0082 142 LEU 37 HD23 -0.0070 0.0011 0.0050 143 PRO 38 N -0.0103 0.0101 -0.0124 144 PRO 38 CA -0.0089 0.0099 -0.0142 145 PRO 38 C -0.0052 0.0102 -0.0148 146 PRO 38 O -0.0040 0.0101 -0.0158 147 PRO 38 CB -0.0107 0.0092 -0.0175 148 PRO 38 CG -0.0138 0.0090 -0.0168 149 PRO 38 CD -0.0128 0.0095 -0.0142 150 PRO 38 HA -0.0094 0.0101 -0.0130 151 PRO 38 HB2 -0.0092 0.0090 -0.0193 152 PRO 38 HB3 -0.0113 0.0090 -0.0183 153 PRO 38 HG2 -0.0145 0.0086 -0.0190 154 PRO 38 HG3 -0.0157 0.0089 -0.0159 155 PRO 38 HD2 -0.0119 0.0094 -0.0153 156 PRO 38 HD3 -0.0149 0.0096 -0.0126 157 GLY 39 N -0.0040 0.0085 -0.0174 158 GLY 39 CA -0.0032 0.0092 -0.0176 159 GLY 39 C -0.0030 0.0099 -0.0166 160 GLY 39 O -0.0025 0.0105 -0.0166 161 GLY 39 H -0.0041 0.0083 -0.0175 162 GLY 39 HA2 -0.0027 0.0093 -0.0181 163 GLY 39 HA3 -0.0031 0.0090 -0.0180 164 GLY 40 N -0.0050 0.0099 -0.0098 165 GLY 40 CA -0.0026 0.0097 -0.0058 166 GLY 40 C -0.0006 0.0104 -0.0053 167 GLY 40 O 0.0019 0.0106 -0.0023 168 GLY 40 H -0.0080 0.0086 -0.0099 169 GLY 40 HA2 -0.0045 0.0082 -0.0033 170 GLY 40 HA3 -0.0003 0.0107 -0.0056 171 GLY 41 N 0.0002 0.0099 -0.0132 172 GLY 41 CA 0.0018 0.0101 -0.0155 173 GLY 41 C 0.0038 0.0089 -0.0162 174 GLY 41 O 0.0055 0.0086 -0.0180 175 GLY 41 H -0.0011 0.0111 -0.0131 176 GLY 41 HA2 0.0011 0.0117 -0.0168 177 GLY 41 HA3 0.0024 0.0096 -0.0154 178 LEU 42 N -0.0037 0.0068 -0.0133 179 LEU 42 CA 0.0001 0.0033 -0.0139 180 LEU 42 C 0.0006 0.0034 -0.0171 181 LEU 42 O 0.0037 0.0007 -0.0185 182 LEU 42 CB 0.0012 0.0014 -0.0086 183 LEU 42 CG 0.0008 0.0010 -0.0048 184 LEU 42 CD1 0.0019 -0.0009 0.0002 185 LEU 42 CD2 0.0032 -0.0009 -0.0068 186 LEU 42 H -0.0054 0.0079 -0.0105 187 LEU 42 HA 0.0019 0.0019 -0.0155 188 LEU 42 HB2 -0.0006 0.0028 -0.0071 189 LEU 42 HB3 0.0040 -0.0012 -0.0092 190 LEU 42 HG -0.0020 0.0036 -0.0042 191 LEU 42 HD11 0.0017 -0.0012 0.0028 192 LEU 42 HD12 0.0048 -0.0035 -0.0003 193 LEU 42 HD13 0.0001 0.0006 0.0017 194 LEU 42 HD21 0.0061 -0.0035 -0.0076 195 LEU 42 HD22 0.0030 -0.0012 -0.0040 196 LEU 42 HD23 0.0023 0.0006 -0.0102 197 HIS 43 N -0.0077 0.0062 -0.0203 198 HIS 43 CA -0.0081 0.0060 -0.0156 199 HIS 43 C -0.0053 0.0070 -0.0143 200 HIS 43 O -0.0016 0.0084 -0.0140 201 HIS 43 CB -0.0070 0.0064 -0.0132 202 HIS 43 CG -0.0092 0.0056 -0.0145 203 HIS 43 ND1 -0.0130 0.0042 -0.0130 204 HIS 43 CD2 -0.0082 0.0060 -0.0173 205 HIS 43 CE1 -0.0141 0.0038 -0.0147 206 HIS 43 NE2 -0.0113 0.0048 -0.0173 207 HIS 43 H -0.0050 0.0072 -0.0215 208 HIS 43 HA -0.0111 0.0049 -0.0149 209 HIS 43 HB2 -0.0038 0.0076 -0.0134 210 HIS 43 HB3 -0.0076 0.0062 -0.0098 211 HIS 43 HD1 -0.0146 0.0036 -0.0110 212 HIS 43 HD2 -0.0054 0.0070 -0.0191 213 HIS 43 HE1 -0.0169 0.0027 -0.0140 214 HIS 43 HE2 -0.0117 0.0047 -0.0194 215 ARG 44 N -0.0078 0.0061 -0.0122 216 ARG 44 CA -0.0048 0.0078 -0.0115 217 ARG 44 C -0.0061 0.0080 -0.0080 218 ARG 44 O -0.0097 0.0065 -0.0072 219 ARG 44 CB -0.0041 0.0071 -0.0154 220 ARG 44 CG -0.0036 0.0063 -0.0196 221 ARG 44 CD -0.0034 0.0055 -0.0231 222 ARG 44 NE -0.0032 0.0045 -0.0274 223 ARG 44 CZ -0.0025 0.0039 -0.0310 224 ARG 44 NH1 -0.0020 0.0042 -0.0308 225 ARG 44 NH2 -0.0023 0.0030 -0.0347 226 ARG 44 H -0.0104 0.0047 -0.0125 227 ARG 44 HA -0.0020 0.0093 -0.0111 228 ARG 44 HB2 -0.0064 0.0060 -0.0152 229 ARG 44 HB3 -0.0014 0.0085 -0.0151 230 ARG 44 HG2 -0.0010 0.0075 -0.0199 231 ARG 44 HG3 -0.0062 0.0050 -0.0197 232 ARG 44 HD2 -0.0059 0.0044 -0.0227 233 ARG 44 HD3 -0.0007 0.0069 -0.0229 234 ARG 44 HE -0.0036 0.0042 -0.0275 235 ARG 44 HH11 -0.0021 0.0048 -0.0280 236 ARG 44 HH12 -0.0015 0.0038 -0.0334 237 ARG 44 HH21 -0.0026 0.0028 -0.0350 238 ARG 44 HH22 -0.0017 0.0026 -0.0374 239 CYS 45 N -0.0048 0.0049 0.0044 240 CYS 45 CA -0.0074 0.0032 0.0100 241 CYS 45 C -0.0085 0.0035 0.0094 242 CYS 45 O -0.0040 0.0035 0.0086 243 CYS 45 CB -0.0032 0.0013 0.0153 244 CYS 45 SG -0.0058 -0.0009 0.0224 245 CYS 45 H -0.0005 0.0051 0.0032 246 CYS 45 HA -0.0119 0.0033 0.0105 247 CYS 45 HB2 -0.0032 0.0012 0.0158 248 CYS 45 HB3 0.0015 0.0014 0.0143 249 LEU 46 N -0.0073 0.0049 0.0096 250 LEU 46 CA -0.0108 0.0055 0.0119 251 LEU 46 C -0.0111 0.0011 0.0154 252 LEU 46 O -0.0119 0.0003 0.0166 253 LEU 46 CB -0.0149 0.0088 0.0129 254 LEU 46 CG -0.0150 0.0134 0.0096 255 LEU 46 CD1 -0.0192 0.0162 0.0109 256 LEU 46 CD2 -0.0143 0.0157 0.0074 257 LEU 46 H -0.0080 0.0061 0.0093 258 LEU 46 HA -0.0100 0.0070 0.0103 259 LEU 46 HB2 -0.0156 0.0074 0.0145 260 LEU 46 HB3 -0.0175 0.0091 0.0147 261 LEU 46 HG -0.0124 0.0130 0.0078 262 LEU 46 HD11 -0.0194 0.0147 0.0122 263 LEU 46 HD12 -0.0192 0.0195 0.0085 264 LEU 46 HD13 -0.0218 0.0164 0.0129 265 LEU 46 HD21 -0.0112 0.0138 0.0063 266 LEU 46 HD22 -0.0168 0.0159 0.0092 267 LEU 46 HD23 -0.0145 0.0190 0.0051 268 ALA 47 N -0.0075 -0.0034 0.0176 269 ALA 47 CA -0.0099 -0.0073 0.0170 270 ALA 47 C -0.0114 -0.0098 0.0166 271 ALA 47 O -0.0140 -0.0128 0.0168 272 ALA 47 CB -0.0079 -0.0093 0.0141 273 ALA 47 H -0.0049 -0.0026 0.0161 274 ALA 47 HA -0.0121 -0.0070 0.0190 275 ALA 47 HB1 -0.0097 -0.0122 0.0138 276 ALA 47 HB2 -0.0056 -0.0097 0.0121 277 ALA 47 HB3 -0.0068 -0.0075 0.0144 278 CYS 48 N -0.0067 -0.0046 0.0259 279 CYS 48 CA 0.0012 -0.0047 0.0250 280 CYS 48 C 0.0033 -0.0017 0.0179 281 CYS 48 O 0.0095 -0.0017 0.0168 282 CYS 48 CB 0.0062 -0.0058 0.0268 283 CYS 48 SG 0.0053 -0.0096 0.0355 284 CYS 48 H -0.0092 -0.0032 0.0232 285 CYS 48 HA 0.0024 -0.0064 0.0286 286 CYS 48 HB2 0.0050 -0.0048 0.0245 287 CYS 48 HB3 0.0120 -0.0059 0.0261 288 ALA 49 N 0.0021 0.0044 0.0101 289 ALA 49 CA 0.0039 0.0084 -0.0001 290 ALA 49 C 0.0129 0.0103 -0.0040 291 ALA 49 O 0.0178 0.0132 -0.0112 292 ALA 49 CB 0.0057 0.0089 -0.0013 293 ALA 49 H -0.0048 0.0035 0.0118 294 ALA 49 HA -0.0031 0.0097 -0.0040 295 ALA 49 HB1 0.0126 0.0077 0.0026 296 ALA 49 HB2 -0.0008 0.0076 0.0015 297 ALA 49 HB3 0.0066 0.0119 -0.0088 298 ARG 50 N 0.0071 0.0111 -0.0047 299 ARG 50 CA 0.0211 0.0111 -0.0124 300 ARG 50 C 0.0132 0.0162 -0.0241 301 ARG 50 O -0.0017 0.0176 -0.0204 302 ARG 50 CB 0.0319 0.0049 0.0013 303 ARG 50 CG 0.0419 -0.0005 0.0130 304 ARG 50 CD 0.0523 -0.0064 0.0261 305 ARG 50 NE 0.0617 -0.0118 0.0379 306 ARG 50 CZ 0.0707 -0.0176 0.0515 307 ARG 50 NH1 0.0721 -0.0189 0.0547 308 ARG 50 NH2 0.0784 -0.0222 0.0617 309 ARG 50 H -0.0012 0.0097 0.0044 310 ARG 50 HA 0.0299 0.0120 -0.0202 311 ARG 50 HB2 0.0228 0.0040 0.0092 312 ARG 50 HB3 0.0416 0.0054 -0.0054 313 ARG 50 HG2 0.0512 0.0004 0.0052 314 ARG 50 HG3 0.0323 -0.0010 0.0198 315 ARG 50 HD2 0.0430 -0.0072 0.0337 316 ARG 50 HD3 0.0620 -0.0059 0.0192 317 ARG 50 HE 0.0609 -0.0108 0.0351 318 ARG 50 HH11 0.0667 -0.0156 0.0472 319 ARG 50 HH12 0.0789 -0.0232 0.0646 320 ARG 50 HH21 0.0778 -0.0214 0.0596 321 ARG 50 HH22 0.0849 -0.0266 0.0721 322 TYR 51 N 0.0098 0.0158 -0.0187 323 TYR 51 CA 0.0081 0.0144 -0.0192 324 TYR 51 C 0.0082 0.0151 -0.0162 325 TYR 51 O 0.0105 0.0170 -0.0154 326 TYR 51 CB 0.0092 0.0145 -0.0226 327 TYR 51 CG 0.0094 0.0141 -0.0257 328 TYR 51 CD1 0.0118 0.0157 -0.0267 329 TYR 51 CD2 0.0072 0.0120 -0.0276 330 TYR 51 CE1 0.0120 0.0153 -0.0295 331 TYR 51 CE2 0.0074 0.0116 -0.0304 332 TYR 51 CZ 0.0098 0.0132 -0.0313 333 TYR 51 OH 0.0100 0.0128 -0.0341 334 TYR 51 H 0.0118 0.0173 -0.0192 335 TYR 51 HA 0.0060 0.0127 -0.0193 336 TYR 51 HB2 0.0112 0.0162 -0.0223 337 TYR 51 HB3 0.0078 0.0134 -0.0230 338 TYR 51 HD1 0.0136 0.0174 -0.0252 339 TYR 51 HD2 0.0053 0.0107 -0.0268 340 TYR 51 HE1 0.0139 0.0166 -0.0302 341 TYR 51 HE2 0.0056 0.0099 -0.0319 342 TYR 51 HH 0.0118 0.0140 -0.0354 343 PHE 52 N 0.0066 0.0072 -0.0120 344 PHE 52 CA 0.0080 0.0072 -0.0097 345 PHE 52 C 0.0064 0.0074 -0.0146 346 PHE 52 O 0.0018 0.0072 -0.0181 347 PHE 52 CB 0.0043 0.0063 -0.0037 348 PHE 52 CG 0.0057 0.0061 0.0016 349 PHE 52 CD1 0.0027 0.0058 0.0018 350 PHE 52 CD2 0.0099 0.0061 0.0063 351 PHE 52 CE1 0.0040 0.0055 0.0066 352 PHE 52 CE2 0.0112 0.0058 0.0112 353 PHE 52 CZ 0.0082 0.0056 0.0113 354 PHE 52 H 0.0022 0.0069 -0.0128 355 PHE 52 HA 0.0129 0.0076 -0.0086 356 PHE 52 HB2 -0.0007 0.0060 -0.0048 357 PHE 52 HB3 0.0054 0.0063 -0.0021 358 PHE 52 HD1 -0.0006 0.0057 -0.0018 359 PHE 52 HD2 0.0123 0.0063 0.0062 360 PHE 52 HE1 0.0016 0.0053 0.0067 361 PHE 52 HE2 0.0145 0.0059 0.0148 362 PHE 52 HZ 0.0091 0.0053 0.0150 363 ILE 53 N 0.0075 0.0047 -0.0103 364 ILE 53 CA 0.0083 0.0070 -0.0158 365 ILE 53 C 0.0028 0.0074 -0.0159 366 ILE 53 O 0.0007 0.0098 -0.0211 367 ILE 53 CB 0.0157 0.0067 -0.0161 368 ILE 53 CG1 0.0172 0.0038 -0.0098 369 ILE 53 CG2 0.0213 0.0070 -0.0175 370 ILE 53 CD1 0.0243 0.0034 -0.0097 371 ILE 53 H 0.0114 0.0031 -0.0073 372 ILE 53 HA 0.0078 0.0089 -0.0201 373 ILE 53 HB 0.0158 0.0084 -0.0201 374 ILE 53 HG12 0.0170 0.0021 -0.0057 375 ILE 53 HG13 0.0132 0.0038 -0.0091 376 ILE 53 HG21 0.0211 0.0053 -0.0137 377 ILE 53 HG22 0.0203 0.0091 -0.0221 378 ILE 53 HG23 0.0265 0.0067 -0.0176 379 ILE 53 HD11 0.0246 0.0050 -0.0135 380 ILE 53 HD12 0.0250 0.0013 -0.0051 381 ILE 53 HD13 0.0284 0.0034 -0.0104 382 ASP 54 N 0.0024 0.0064 -0.0094 383 ASP 54 CA -0.0040 0.0047 -0.0079 384 ASP 54 C -0.0081 0.0034 -0.0027 385 ASP 54 O -0.0051 0.0040 0.0014 386 ASP 54 CB -0.0026 0.0049 -0.0049 387 ASP 54 CG -0.0091 0.0032 -0.0036 388 ASP 54 OD1 -0.0118 0.0028 -0.0087 389 ASP 54 OD2 -0.0115 0.0023 0.0025 390 ASP 54 H 0.0046 0.0068 -0.0057 391 ASP 54 HA -0.0069 0.0042 -0.0129 392 ASP 54 HB2 0.0005 0.0059 -0.0086 393 ASP 54 HB3 0.0002 0.0054 0.0001 394 SER 55 N -0.0100 0.0008 0.0011 395 SER 55 CA -0.0141 -0.0014 0.0046 396 SER 55 C -0.0124 -0.0018 0.0115 397 SER 55 O -0.0132 -0.0026 0.0148 398 SER 55 CB -0.0202 -0.0038 0.0031 399 SER 55 OG -0.0244 -0.0060 0.0065 400 SER 55 H -0.0115 0.0005 -0.0013 401 SER 55 HA -0.0139 -0.0012 0.0032 402 SER 55 HB2 -0.0213 -0.0035 -0.0017 403 SER 55 HB3 -0.0205 -0.0040 0.0038 404 SER 55 HG -0.0248 -0.0067 0.0103 405 THR 56 N -0.0145 -0.0041 0.0155 406 THR 56 CA -0.0137 -0.0024 0.0228 407 THR 56 C -0.0089 0.0026 0.0230 408 THR 56 O -0.0087 0.0032 0.0269 409 THR 56 CB -0.0133 -0.0015 0.0272 410 THR 56 OG1 -0.0176 -0.0060 0.0262 411 THR 56 CG2 -0.0132 -0.0004 0.0350 412 THR 56 H -0.0144 -0.0042 0.0141 413 THR 56 HA -0.0168 -0.0054 0.0250 414 THR 56 HB -0.0099 0.0018 0.0252 415 THR 56 HG1 -0.0167 -0.0057 0.0217 416 THR 56 HG21 -0.0129 0.0002 0.0380 417 THR 56 HG22 -0.0166 -0.0037 0.0369 418 THR 56 HG23 -0.0100 0.0030 0.0358 419 ASN 57 N -0.0050 0.0020 0.0188 420 ASN 57 CA -0.0003 0.0045 0.0195 421 ASN 57 C -0.0025 0.0034 0.0186 422 ASN 57 O -0.0004 0.0041 0.0221 423 ASN 57 CB 0.0043 0.0079 0.0146 424 ASN 57 CG 0.0086 0.0099 0.0170 425 ASN 57 OD1 0.0131 0.0120 0.0203 426 ASN 57 ND2 0.0073 0.0094 0.0155 427 ASN 57 H -0.0051 0.0025 0.0149 428 ASN 57 HA 0.0017 0.0049 0.0245 429 ASN 57 HB2 0.0020 0.0072 0.0102 430 ASN 57 HB3 0.0065 0.0093 0.0135 431 ASN 57 HD21 0.0037 0.0078 0.0129 432 ASN 57 HD22 0.0101 0.0108 0.0171 433 LEU 58 N -0.0027 0.0024 0.0141 434 LEU 58 CA -0.0041 0.0020 0.0141 435 LEU 58 C -0.0064 0.0012 0.0180 436 LEU 58 O -0.0056 0.0014 0.0201 437 LEU 58 CB -0.0064 0.0014 0.0101 438 LEU 58 CG -0.0086 0.0007 0.0097 439 LEU 58 CD1 -0.0125 -0.0005 0.0118 440 LEU 58 CD2 -0.0062 0.0014 0.0111 441 LEU 58 H -0.0039 0.0021 0.0120 442 LEU 58 HA -0.0015 0.0028 0.0141 443 LEU 58 HB2 -0.0044 0.0021 0.0076 444 LEU 58 HB3 -0.0085 0.0008 0.0097 445 LEU 58 HG -0.0094 0.0006 0.0065 446 LEU 58 HD11 -0.0140 -0.0010 0.0114 447 LEU 58 HD12 -0.0120 -0.0004 0.0150 448 LEU 58 HD13 -0.0143 -0.0010 0.0105 449 LEU 58 HD21 -0.0055 0.0016 0.0144 450 LEU 58 HD22 -0.0078 0.0010 0.0107 451 LEU 58 HD23 -0.0035 0.0023 0.0094 452 LYS 59 N -0.0085 -0.0048 0.0202 453 LYS 59 CA -0.0085 -0.0026 0.0196 454 LYS 59 C -0.0097 -0.0009 0.0190 455 LYS 59 O -0.0090 0.0010 0.0187 456 LYS 59 CB -0.0095 -0.0026 0.0195 457 LYS 59 CG -0.0119 -0.0034 0.0192 458 LYS 59 CD -0.0126 -0.0035 0.0191 459 LYS 59 CE -0.0125 -0.0013 0.0186 460 LYS 59 NZ -0.0142 0.0003 0.0180 461 LYS 59 H -0.0093 -0.0061 0.0203 462 LYS 59 HA -0.0068 -0.0021 0.0198 463 LYS 59 HB2 -0.0093 -0.0010 0.0191 464 LYS 59 HB3 -0.0085 -0.0038 0.0199 465 LYS 59 HG2 -0.0121 -0.0050 0.0196 466 LYS 59 HG3 -0.0129 -0.0022 0.0188 467 LYS 59 HD2 -0.0115 -0.0046 0.0196 468 LYS 59 HD3 -0.0143 -0.0042 0.0190 469 LYS 59 HE2 -0.0109 -0.0005 0.0187 470 LYS 59 HE3 -0.0129 -0.0015 0.0186 471 LYS 59 HZ1 -0.0158 -0.0004 0.0178 472 LYS 59 HZ2 -0.0140 0.0018 0.0177 473 LYS 59 HZ3 -0.0139 0.0006 0.0180 474 THR 60 N -0.0058 -0.0014 0.0238 475 THR 60 CA -0.0066 -0.0004 0.0234 476 THR 60 C -0.0076 0.0005 0.0214 477 THR 60 O -0.0080 0.0009 0.0202 478 THR 60 CB -0.0074 0.0008 0.0253 479 THR 60 OG1 -0.0065 -0.0001 0.0271 480 THR 60 CG2 -0.0083 0.0019 0.0249 481 THR 60 H -0.0059 -0.0011 0.0251 482 THR 60 HA -0.0060 -0.0012 0.0232 483 THR 60 HB -0.0080 0.0016 0.0255 484 THR 60 HG1 -0.0061 -0.0005 0.0276 485 THR 60 HG21 -0.0088 0.0027 0.0263 486 THR 60 HG22 -0.0077 0.0011 0.0246 487 THR 60 HG23 -0.0090 0.0026 0.0236 488 HIS 61 N -0.0027 0.0002 0.0224 489 HIS 61 CA -0.0010 -0.0003 0.0242 490 HIS 61 C -0.0015 0.0012 0.0265 491 HIS 61 O -0.0003 0.0010 0.0282 492 HIS 61 CB -0.0001 -0.0015 0.0235 493 HIS 61 CG 0.0012 -0.0016 0.0255 494 HIS 61 ND1 0.0030 -0.0025 0.0268 495 HIS 61 CD2 0.0009 -0.0009 0.0264 496 HIS 61 CE1 0.0036 -0.0023 0.0284 497 HIS 61 NE2 0.0024 -0.0013 0.0283 498 HIS 61 H -0.0031 -0.0000 0.0211 499 HIS 61 HA -0.0000 -0.0011 0.0244 500 HIS 61 HB2 0.0008 -0.0028 0.0224 501 HIS 61 HB3 -0.0012 -0.0010 0.0226 502 HIS 61 HD1 0.0036 -0.0032 0.0265 503 HIS 61 HD2 -0.0003 -0.0001 0.0259 504 HIS 61 HE1 0.0049 -0.0026 0.0299 505 PHE 62 N -0.0026 -0.0061 0.0119 506 PHE 62 CA -0.0024 -0.0062 0.0115 507 PHE 62 C -0.0018 -0.0070 0.0098 508 PHE 62 O -0.0015 -0.0072 0.0092 509 PHE 62 CB -0.0013 -0.0051 0.0121 510 PHE 62 CG -0.0015 -0.0041 0.0138 511 PHE 62 CD1 -0.0030 -0.0044 0.0149 512 PHE 62 CD2 -0.0004 -0.0030 0.0144 513 PHE 62 CE1 -0.0032 -0.0035 0.0164 514 PHE 62 CE2 -0.0006 -0.0022 0.0159 515 PHE 62 CZ -0.0020 -0.0024 0.0169 516 PHE 62 H -0.0017 -0.0054 0.0121 517 PHE 62 HA -0.0035 -0.0067 0.0119 518 PHE 62 HB2 -0.0001 -0.0047 0.0115 519 PHE 62 HB3 -0.0015 -0.0053 0.0120 520 PHE 62 HD1 -0.0039 -0.0052 0.0144 521 PHE 62 HD2 0.0008 -0.0029 0.0136 522 PHE 62 HE1 -0.0043 -0.0037 0.0172 523 PHE 62 HE2 0.0004 -0.0013 0.0163 524 PHE 62 HZ -0.0021 -0.0017 0.0181 525 ARG 63 N -0.0013 -0.0073 0.0073 526 ARG 63 CA -0.0020 -0.0063 0.0004 527 ARG 63 C -0.0052 -0.0071 -0.0029 528 ARG 63 O -0.0065 -0.0065 -0.0087 529 ARG 63 CB -0.0048 -0.0072 -0.0016 530 ARG 63 CG -0.0010 -0.0059 0.0005 531 ARG 63 CD -0.0041 -0.0069 -0.0015 532 ARG 63 NE -0.0056 -0.0062 -0.0083 533 ARG 63 CZ -0.0075 -0.0064 -0.0115 534 ARG 63 NH1 -0.0077 -0.0071 -0.0084 535 ARG 63 NH2 -0.0090 -0.0059 -0.0176 536 ARG 63 H -0.0037 -0.0089 0.0100 537 ARG 63 HA 0.0025 -0.0040 -0.0012 538 ARG 63 HB2 -0.0090 -0.0094 0.0006 539 ARG 63 HB3 -0.0057 -0.0066 -0.0067 540 ARG 63 HG2 0.0031 -0.0036 -0.0018 541 ARG 63 HG3 -0.0001 -0.0065 0.0056 542 ARG 63 HD2 -0.0011 -0.0058 -0.0001 543 ARG 63 HD3 -0.0081 -0.0091 0.0010 544 ARG 63 HE -0.0053 -0.0056 -0.0107 545 ARG 63 HH11 -0.0065 -0.0075 -0.0037 546 ARG 63 HH12 -0.0091 -0.0073 -0.0106 547 ARG 63 HH21 -0.0088 -0.0053 -0.0201 548 ARG 63 HH22 -0.0104 -0.0060 -0.0202 549 SER 64 N 0.0037 -0.0115 0.0070 550 SER 64 CA 0.0022 -0.0120 0.0056 551 SER 64 C 0.0037 -0.0120 0.0046 552 SER 64 O 0.0044 -0.0117 0.0059 553 SER 64 CB 0.0004 -0.0120 0.0072 554 SER 64 OG -0.0007 -0.0118 0.0086 555 SER 64 H 0.0038 -0.0112 0.0086 556 SER 64 HA 0.0015 -0.0123 0.0043 557 SER 64 HB2 0.0011 -0.0117 0.0083 558 SER 64 HB3 -0.0009 -0.0123 0.0062 559 SER 64 HG -0.0017 -0.0121 0.0077 560 LYS 65 N 0.0080 -0.0172 0.0002 561 LYS 65 CA 0.0048 -0.0172 0.0026 562 LYS 65 C 0.0032 -0.0177 0.0045 563 LYS 65 O 0.0001 -0.0168 0.0055 564 LYS 65 CB 0.0051 -0.0188 0.0046 565 LYS 65 CG 0.0081 -0.0215 0.0062 566 LYS 65 CD 0.0078 -0.0230 0.0087 567 LYS 65 CE 0.0108 -0.0256 0.0101 568 LYS 65 NZ 0.0108 -0.0272 0.0124 569 LYS 65 H 0.0101 -0.0184 0.0003 570 LYS 65 HA 0.0031 -0.0154 0.0012 571 LYS 65 HB2 0.0028 -0.0189 0.0065 572 LYS 65 HB3 0.0053 -0.0179 0.0032 573 LYS 65 HG2 0.0081 -0.0223 0.0074 574 LYS 65 HG3 0.0104 -0.0214 0.0044 575 LYS 65 HD2 0.0078 -0.0223 0.0076 576 LYS 65 HD3 0.0055 -0.0231 0.0105 577 LYS 65 HE2 0.0107 -0.0264 0.0113 578 LYS 65 HE3 0.0131 -0.0255 0.0082 579 LYS 65 HZ1 0.0086 -0.0273 0.0142 580 LYS 65 HZ2 0.0110 -0.0265 0.0113 581 LYS 65 HZ3 0.0128 -0.0289 0.0134 582 ASP 66 N 0.0048 -0.0178 0.0019 583 ASP 66 CA 0.0039 -0.0176 0.0005 584 ASP 66 C 0.0032 -0.0170 -0.0007 585 ASP 66 O 0.0023 -0.0173 -0.0019 586 ASP 66 CB 0.0043 -0.0163 0.0005 587 ASP 66 CG 0.0034 -0.0162 -0.0008 588 ASP 66 OD1 0.0032 -0.0172 -0.0007 589 ASP 66 OD2 0.0029 -0.0151 -0.0018 590 ASP 66 H 0.0055 -0.0170 0.0026 591 ASP 66 HA 0.0035 -0.0188 0.0003 592 ASP 66 HB2 0.0049 -0.0166 0.0015 593 ASP 66 HB3 0.0046 -0.0151 0.0005 594 HIS 67 N 0.0007 -0.0132 -0.0015 595 HIS 67 CA 0.0010 -0.0125 0.0014 596 HIS 67 C 0.0046 -0.0141 0.0011 597 HIS 67 O 0.0045 -0.0141 0.0007 598 HIS 67 CB 0.0010 -0.0114 0.0057 599 HIS 67 CG 0.0010 -0.0106 0.0089 600 HIS 67 ND1 -0.0009 -0.0099 0.0083 601 HIS 67 CD2 0.0016 -0.0098 0.0128 602 HIS 67 CE1 -0.0016 -0.0087 0.0117 603 HIS 67 NE2 -0.0002 -0.0086 0.0145 604 HIS 67 H 0.0007 -0.0129 -0.0005 605 HIS 67 HA -0.0014 -0.0117 0.0008 606 HIS 67 HB2 -0.0015 -0.0102 0.0062 607 HIS 67 HB3 0.0035 -0.0122 0.0065 608 HIS 67 HD1 -0.0017 -0.0103 0.0057 609 HIS 67 HD2 0.0036 -0.0103 0.0139 610 HIS 67 HE1 -0.0031 -0.0080 0.0124 611 LYS 68 N 0.0035 -0.0112 0.0012 612 LYS 68 CA 0.0050 -0.0099 0.0016 613 LYS 68 C 0.0053 -0.0098 0.0012 614 LYS 68 O 0.0062 -0.0090 0.0020 615 LYS 68 CB 0.0062 -0.0093 0.0004 616 LYS 68 CG 0.0058 -0.0095 0.0007 617 LYS 68 CD 0.0070 -0.0089 -0.0006 618 LYS 68 CE 0.0069 -0.0094 -0.0027 619 LYS 68 NZ 0.0079 -0.0089 -0.0040 620 LYS 68 H 0.0034 -0.0115 0.0001 621 LYS 68 HA 0.0051 -0.0096 0.0030 622 LYS 68 HB2 0.0061 -0.0097 -0.0011 623 LYS 68 HB3 0.0073 -0.0084 0.0007 624 LYS 68 HG2 0.0057 -0.0093 0.0021 625 LYS 68 HG3 0.0047 -0.0105 0.0003 626 LYS 68 HD2 0.0081 -0.0080 -0.0003 627 LYS 68 HD3 0.0067 -0.0090 -0.0004 628 LYS 68 HE2 0.0057 -0.0104 -0.0030 629 LYS 68 HE3 0.0071 -0.0093 -0.0030 630 LYS 68 HZ1 0.0090 -0.0080 -0.0038 631 LYS 68 HZ2 0.0078 -0.0093 -0.0054 632 LYS 68 HZ3 0.0076 -0.0091 -0.0037 633 LYS 69 N 0.0056 -0.0195 -0.0022 634 LYS 69 CA 0.0046 -0.0207 -0.0024 635 LYS 69 C 0.0032 -0.0200 -0.0030 636 LYS 69 O 0.0020 -0.0206 -0.0033 637 LYS 69 CB 0.0052 -0.0213 -0.0021 638 LYS 69 CG 0.0042 -0.0223 -0.0023 639 LYS 69 CD 0.0050 -0.0227 -0.0020 640 LYS 69 CE 0.0042 -0.0235 -0.0021 641 LYS 69 NZ 0.0051 -0.0238 -0.0018 642 LYS 69 H 0.0065 -0.0194 -0.0019 643 LYS 69 HA 0.0045 -0.0215 -0.0023 644 LYS 69 HB2 0.0060 -0.0220 -0.0017 645 LYS 69 HB3 0.0057 -0.0204 -0.0021 646 LYS 69 HG2 0.0033 -0.0216 -0.0027 647 LYS 69 HG3 0.0038 -0.0233 -0.0023 648 LYS 69 HD2 0.0059 -0.0233 -0.0015 649 LYS 69 HD3 0.0055 -0.0216 -0.0019 650 LYS 69 HE2 0.0033 -0.0229 -0.0025 651 LYS 69 HE3 0.0038 -0.0246 -0.0021 652 LYS 69 HZ1 0.0046 -0.0243 -0.0019 653 LYS 69 HZ2 0.0055 -0.0227 -0.0018 654 LYS 69 HZ3 0.0060 -0.0243 -0.0014 655 ARG 70 N 0.0032 -0.0179 -0.0047 656 ARG 70 CA 0.0052 -0.0175 -0.0089 657 ARG 70 C 0.0055 -0.0222 -0.0108 658 ARG 70 O 0.0071 -0.0233 -0.0145 659 ARG 70 CB 0.0056 -0.0142 -0.0090 660 ARG 70 CG 0.0078 -0.0132 -0.0134 661 ARG 70 CD 0.0093 -0.0112 -0.0160 662 ARG 70 NE 0.0113 -0.0104 -0.0203 663 ARG 70 CZ 0.0129 -0.0106 -0.0236 664 ARG 70 NH1 0.0125 -0.0116 -0.0232 665 ARG 70 NH2 0.0147 -0.0098 -0.0274 666 ARG 70 H 0.0023 -0.0166 -0.0023 667 ARG 70 HA 0.0062 -0.0162 -0.0108 668 ARG 70 HB2 0.0052 -0.0110 -0.0072 669 ARG 70 HB3 0.0047 -0.0157 -0.0073 670 ARG 70 HG2 0.0080 -0.0108 -0.0131 671 ARG 70 HG3 0.0081 -0.0164 -0.0149 672 ARG 70 HD2 0.0090 -0.0136 -0.0161 673 ARG 70 HD3 0.0090 -0.0080 -0.0145 674 ARG 70 HE 0.0116 -0.0097 -0.0206 675 ARG 70 HH11 0.0112 -0.0122 -0.0204 676 ARG 70 HH12 0.0136 -0.0117 -0.0256 677 ARG 70 HH21 0.0150 -0.0090 -0.0278 678 ARG 70 HH22 0.0159 -0.0099 -0.0300 679 LEU 71 N 0.0044 -0.0177 -0.0095 680 LEU 71 CA 0.0052 -0.0191 -0.0091 681 LEU 71 C 0.0060 -0.0214 -0.0106 682 LEU 71 O 0.0063 -0.0223 -0.0117 683 LEU 71 CB 0.0059 -0.0194 -0.0063 684 LEU 71 CG 0.0052 -0.0172 -0.0044 685 LEU 71 CD1 0.0061 -0.0178 -0.0017 686 LEU 71 CD2 0.0043 -0.0156 -0.0052 687 LEU 71 H 0.0046 -0.0174 -0.0081 688 LEU 71 HA 0.0046 -0.0182 -0.0097 689 LEU 71 HB2 0.0065 -0.0204 -0.0057 690 LEU 71 HB3 0.0065 -0.0205 -0.0061 691 LEU 71 HG 0.0047 -0.0163 -0.0045 692 LEU 71 HD11 0.0066 -0.0188 -0.0016 693 LEU 71 HD12 0.0067 -0.0189 -0.0011 694 LEU 71 HD13 0.0056 -0.0162 -0.0004 695 LEU 71 HD21 0.0036 -0.0150 -0.0071 696 LEU 71 HD22 0.0047 -0.0165 -0.0053 697 LEU 71 HD23 0.0038 -0.0141 -0.0038 698 LYS 72 N 0.0060 -0.0220 -0.0125 699 LYS 72 CA 0.0024 -0.0200 -0.0091 700 LYS 72 C 0.0070 -0.0189 -0.0072 701 LYS 72 O 0.0051 -0.0189 -0.0073 702 LYS 72 CB -0.0007 -0.0169 -0.0040 703 LYS 72 CG -0.0048 -0.0146 -0.0002 704 LYS 72 CD -0.0080 -0.0117 0.0045 705 LYS 72 CE -0.0121 -0.0095 0.0082 706 LYS 72 NZ -0.0155 -0.0067 0.0127 707 LYS 72 H 0.0063 -0.0212 -0.0111 708 LYS 72 HA -0.0015 -0.0215 -0.0117 709 LYS 72 HB2 -0.0039 -0.0177 -0.0054 710 LYS 72 HB3 0.0032 -0.0154 -0.0015 711 LYS 72 HG2 -0.0015 -0.0135 0.0016 712 LYS 72 HG3 -0.0085 -0.0161 -0.0027 713 LYS 72 HD2 -0.0111 -0.0128 0.0027 714 LYS 72 HD3 -0.0042 -0.0102 0.0070 715 LYS 72 HE2 -0.0089 -0.0083 0.0102 716 LYS 72 HE3 -0.0157 -0.0110 0.0057 717 LYS 72 HZ1 -0.0121 -0.0052 0.0153 718 LYS 72 HZ2 -0.0186 -0.0078 0.0110 719 LYS 72 HZ3 -0.0182 -0.0052 0.0152 720 GLN 73 N 0.0051 -0.0241 -0.0116 721 GLN 73 CA 0.0054 -0.0236 -0.0132 722 GLN 73 C 0.0052 -0.0234 -0.0165 723 GLN 73 O 0.0042 -0.0242 -0.0181 724 GLN 73 CB 0.0075 -0.0215 -0.0122 725 GLN 73 CG 0.0078 -0.0215 -0.0090 726 GLN 73 CD 0.0099 -0.0194 -0.0081 727 GLN 73 OE1 0.0114 -0.0177 -0.0094 728 GLN 73 NE2 0.0101 -0.0195 -0.0059 729 GLN 73 H 0.0063 -0.0230 -0.0105 730 GLN 73 HA 0.0043 -0.0249 -0.0126 731 GLN 73 HB2 0.0086 -0.0202 -0.0127 732 GLN 73 HB3 0.0076 -0.0211 -0.0134 733 GLN 73 HG2 0.0068 -0.0228 -0.0084 734 GLN 73 HG3 0.0076 -0.0219 -0.0077 735 GLN 73 HE21 0.0089 -0.0209 -0.0050 736 GLN 73 HE22 0.0114 -0.0181 -0.0052 737 LEU 74 N 0.0080 -0.0223 -0.0203 738 LEU 74 CA 0.0089 -0.0232 -0.0240 739 LEU 74 C 0.0078 -0.0282 -0.0250 740 LEU 74 O 0.0085 -0.0296 -0.0285 741 LEU 74 CB 0.0093 -0.0207 -0.0231 742 LEU 74 CG 0.0105 -0.0209 -0.0268 743 LEU 74 CD1 0.0123 -0.0190 -0.0308 744 LEU 74 CD2 0.0108 -0.0183 -0.0253 745 LEU 74 H 0.0074 -0.0213 -0.0174 746 LEU 74 HA 0.0102 -0.0220 -0.0268 747 LEU 74 HB2 0.0100 -0.0173 -0.0220 748 LEU 74 HB3 0.0080 -0.0223 -0.0204 749 LEU 74 HG 0.0098 -0.0243 -0.0277 750 LEU 74 HD11 0.0131 -0.0191 -0.0334 751 LEU 74 HD12 0.0130 -0.0156 -0.0300 752 LEU 74 HD13 0.0121 -0.0210 -0.0320 753 LEU 74 HD21 0.0115 -0.0149 -0.0244 754 LEU 74 HD22 0.0116 -0.0184 -0.0280 755 LEU 74 HD23 0.0095 -0.0197 -0.0225 756 SER 75 N 0.0083 -0.0232 -0.0186 757 SER 75 CA 0.0091 -0.0244 -0.0183 758 SER 75 C 0.0083 -0.0261 -0.0172 759 SER 75 O 0.0091 -0.0275 -0.0168 760 SER 75 CB 0.0112 -0.0246 -0.0189 761 SER 75 OG 0.0120 -0.0258 -0.0186 762 SER 75 H 0.0074 -0.0222 -0.0188 763 SER 75 HA 0.0086 -0.0239 -0.0184 764 SER 75 HB2 0.0117 -0.0234 -0.0197 765 SER 75 HB3 0.0117 -0.0252 -0.0188 766 SER 75 HG 0.0130 -0.0252 -0.0192 767 VAL 76 N 0.0086 -0.0267 -0.0164 768 VAL 76 CA 0.0077 -0.0281 -0.0140 769 VAL 76 C 0.0079 -0.0299 -0.0124 770 VAL 76 O 0.0089 -0.0322 -0.0115 771 VAL 76 CB 0.0052 -0.0264 -0.0128 772 VAL 76 CG1 0.0042 -0.0278 -0.0102 773 VAL 76 CG2 0.0050 -0.0245 -0.0142 774 VAL 76 H 0.0077 -0.0249 -0.0170 775 VAL 76 HA 0.0086 -0.0291 -0.0141 776 VAL 76 HB 0.0044 -0.0254 -0.0127 777 VAL 76 HG11 0.0025 -0.0265 -0.0094 778 VAL 76 HG12 0.0051 -0.0288 -0.0103 779 VAL 76 HG13 0.0043 -0.0290 -0.0091 780 VAL 76 HG21 0.0033 -0.0233 -0.0134 781 VAL 76 HG22 0.0056 -0.0235 -0.0160 782 VAL 76 HG23 0.0059 -0.0255 -0.0144 783 GLU 77 N 0.0070 -0.0171 -0.0147 784 GLU 77 CA 0.0058 -0.0185 -0.0135 785 GLU 77 C 0.0053 -0.0181 -0.0124 786 GLU 77 O 0.0051 -0.0168 -0.0110 787 GLU 77 CB 0.0051 -0.0185 -0.0122 788 GLU 77 CG 0.0053 -0.0165 -0.0112 789 GLU 77 CD 0.0045 -0.0167 -0.0099 790 GLU 77 OE1 0.0047 -0.0170 -0.0105 791 GLU 77 OE2 0.0036 -0.0165 -0.0082 792 GLU 77 H 0.0073 -0.0157 -0.0143 793 GLU 77 HA 0.0057 -0.0199 -0.0144 794 GLU 77 HB2 0.0042 -0.0194 -0.0112 795 GLU 77 HB3 0.0053 -0.0192 -0.0130 796 GLU 77 HG2 0.0062 -0.0156 -0.0122 797 GLU 77 HG3 0.0051 -0.0158 -0.0104 798 PRO 78 N 0.0016 -0.0079 -0.0164 799 PRO 78 CA -0.0013 -0.0012 -0.0138 800 PRO 78 C -0.0089 -0.0004 -0.0166 801 PRO 78 O -0.0121 -0.0029 -0.0195 802 PRO 78 CB 0.0004 0.0015 -0.0115 803 PRO 78 CG 0.0059 -0.0034 -0.0119 804 PRO 78 CD 0.0047 -0.0096 -0.0161 805 PRO 78 HA 0.0007 0.0011 -0.0116 806 PRO 78 HB2 -0.0040 0.0022 -0.0129 807 PRO 78 HB3 0.0020 0.0059 -0.0082 808 PRO 78 HG2 0.0057 -0.0034 -0.0120 809 PRO 78 HG3 0.0107 -0.0026 -0.0094 810 PRO 78 HD2 0.0014 -0.0115 -0.0187 811 PRO 78 HD3 0.0094 -0.0129 -0.0160 812 TYR 79 N -0.0147 0.0157 -0.0114 813 TYR 79 CA -0.0173 0.0176 -0.0181 814 TYR 79 C -0.0140 0.0135 -0.0273 815 TYR 79 O -0.0163 0.0152 -0.0336 816 TYR 79 CB -0.0251 0.0249 -0.0194 817 TYR 79 CG -0.0284 0.0289 -0.0105 818 TYR 79 CD1 -0.0301 0.0312 -0.0042 819 TYR 79 CD2 -0.0298 0.0304 -0.0084 820 TYR 79 CE1 -0.0331 0.0347 0.0039 821 TYR 79 CE2 -0.0327 0.0340 -0.0003 822 TYR 79 CZ -0.0343 0.0361 0.0059 823 TYR 79 OH -0.0373 0.0397 0.0141 824 TYR 79 H -0.0117 0.0134 -0.0060 825 TYR 79 HA -0.0154 0.0161 -0.0152 826 TYR 79 HB2 -0.0270 0.0265 -0.0216 827 TYR 79 HB3 -0.0266 0.0258 -0.0246 828 TYR 79 HD1 -0.0291 0.0300 -0.0057 829 TYR 79 HD2 -0.0285 0.0287 -0.0133 830 TYR 79 HE1 -0.0344 0.0364 0.0088 831 TYR 79 HE2 -0.0337 0.0351 0.0012 832 TYR 79 HH -0.0345 0.0374 0.0167 833 SER 80 N -0.0004 0.0125 -0.0078 834 SER 80 CA -0.0004 0.0082 -0.0111 835 SER 80 C -0.0015 0.0087 -0.0173 836 SER 80 O -0.0025 0.0131 -0.0190 837 SER 80 CB 0.0010 0.0024 -0.0088 838 SER 80 OG 0.0012 -0.0022 -0.0115 839 SER 80 H -0.0002 0.0120 -0.0069 840 SER 80 HA -0.0003 0.0085 -0.0107 841 SER 80 HB2 0.0018 0.0023 -0.0043 842 SER 80 HB3 0.0009 0.0019 -0.0094 843 SER 80 HG 0.0015 -0.0023 -0.0097 844 GLN 81 N 0.0105 0.0143 -0.0077 845 GLN 81 CA 0.0099 0.0143 -0.0085 846 GLN 81 C 0.0090 0.0147 -0.0120 847 GLN 81 O 0.0077 0.0146 -0.0134 848 GLN 81 CB 0.0073 0.0136 -0.0064 849 GLN 81 CG 0.0070 0.0136 -0.0068 850 GLN 81 CD 0.0042 0.0129 -0.0050 851 GLN 81 OE1 0.0018 0.0124 -0.0047 852 GLN 81 NE2 0.0046 0.0128 -0.0040 853 GLN 81 H 0.0090 0.0139 -0.0065 854 GLN 81 HA 0.0121 0.0146 -0.0080 855 GLN 81 HB2 0.0078 0.0133 -0.0040 856 GLN 81 HB3 0.0051 0.0133 -0.0072 857 GLN 81 HG2 0.0067 0.0139 -0.0093 858 GLN 81 HG3 0.0091 0.0138 -0.0059 859 GLN 81 HE21 0.0066 0.0132 -0.0044 860 GLN 81 HE22 0.0028 0.0123 -0.0029 861 GLU 82 N 0.0043 0.0303 -0.0122 862 GLU 82 CA 0.0026 0.0337 -0.0146 863 GLU 82 C 0.0049 0.0396 -0.0131 864 GLU 82 O 0.0040 0.0432 -0.0147 865 GLU 82 CB 0.0021 0.0306 -0.0146 866 GLU 82 CG 0.0003 0.0336 -0.0171 867 GLU 82 CD -0.0002 0.0302 -0.0171 868 GLU 82 OE1 0.0026 0.0298 -0.0139 869 GLU 82 OE2 -0.0034 0.0278 -0.0203 870 GLU 82 H 0.0030 0.0301 -0.0136 871 GLU 82 HA -0.0002 0.0343 -0.0178 872 GLU 82 HB2 0.0004 0.0266 -0.0159 873 GLU 82 HB3 0.0049 0.0298 -0.0114 874 GLU 82 HG2 0.0021 0.0375 -0.0158 875 GLU 82 HG3 -0.0024 0.0346 -0.0204 876 GLU 83 N 0.0066 0.0265 -0.0187 877 GLU 83 CA 0.0031 0.0253 -0.0170 878 GLU 83 C 0.0018 0.0294 -0.0180 879 GLU 83 O 0.0026 0.0290 -0.0181 880 GLU 83 CB -0.0012 0.0239 -0.0150 881 GLU 83 CG -0.0051 0.0226 -0.0131 882 GLU 83 CD -0.0090 0.0207 -0.0111 883 GLU 83 OE1 -0.0118 0.0234 -0.0110 884 GLU 83 OE2 -0.0092 0.0164 -0.0094 885 GLU 83 H 0.0060 0.0295 -0.0195 886 GLU 83 HA 0.0047 0.0224 -0.0165 887 GLU 83 HB2 -0.0001 0.0209 -0.0143 888 GLU 83 HB3 -0.0026 0.0268 -0.0155 889 GLU 83 HG2 -0.0066 0.0257 -0.0137 890 GLU 83 HG3 -0.0036 0.0199 -0.0127 891 ALA 84 N -0.0025 0.0284 -0.0187 892 ALA 84 CA -0.0064 0.0310 -0.0215 893 ALA 84 C -0.0028 0.0338 -0.0252 894 ALA 84 O -0.0050 0.0368 -0.0286 895 ALA 84 CB -0.0108 0.0330 -0.0234 896 ALA 84 H -0.0011 0.0292 -0.0198 897 ALA 84 HA -0.0085 0.0294 -0.0194 898 ALA 84 HB1 -0.0135 0.0349 -0.0256 899 ALA 84 HB2 -0.0086 0.0344 -0.0254 900 ALA 84 HB3 -0.0134 0.0309 -0.0207 901 GLU 85 N 0.0088 0.0330 -0.0205 902 GLU 85 CA 0.0103 0.0343 -0.0194 903 GLU 85 C 0.0111 0.0336 -0.0191 904 GLU 85 O 0.0103 0.0343 -0.0194 905 GLU 85 CB 0.0095 0.0367 -0.0192 906 GLU 85 CG 0.0110 0.0382 -0.0180 907 GLU 85 CD 0.0121 0.0384 -0.0173 908 GLU 85 OE1 0.0114 0.0398 -0.0173 909 GLU 85 OE2 0.0137 0.0373 -0.0168 910 GLU 85 H 0.0085 0.0322 -0.0209 911 GLU 85 HA 0.0114 0.0339 -0.0189 912 GLU 85 HB2 0.0085 0.0370 -0.0196 913 GLU 85 HB3 0.0086 0.0371 -0.0196 914 GLU 85 HG2 0.0120 0.0374 -0.0177 915 GLU 85 HG3 0.0103 0.0397 -0.0179 916 ARG 86 N 0.0070 0.0340 -0.0178 917 ARG 86 CA 0.0082 0.0402 -0.0095 918 ARG 86 C 0.0059 0.0395 0.0005 919 ARG 86 O 0.0022 0.0320 0.0028 920 ARG 86 CB 0.0076 0.0392 -0.0086 921 ARG 86 CG 0.0031 0.0290 -0.0092 922 ARG 86 CD -0.0011 0.0232 -0.0005 923 ARG 86 NE -0.0052 0.0134 -0.0020 924 ARG 86 CZ -0.0095 0.0061 0.0031 925 ARG 86 NH1 -0.0103 0.0075 0.0106 926 ARG 86 NH2 -0.0129 -0.0026 0.0006 927 ARG 86 H 0.0038 0.0271 -0.0171 928 ARG 86 HA 0.0118 0.0473 -0.0117 929 ARG 86 HB2 0.0077 0.0426 -0.0013 930 ARG 86 HB3 0.0103 0.0429 -0.0146 931 ARG 86 HG2 0.0032 0.0293 -0.0090 932 ARG 86 HG3 0.0029 0.0254 -0.0163 933 ARG 86 HD2 -0.0012 0.0233 -0.0000 934 ARG 86 HD3 -0.0011 0.0263 0.0066 935 ARG 86 HE -0.0047 0.0122 -0.0075 936 ARG 86 HH11 -0.0079 0.0139 0.0129 937 ARG 86 HH12 -0.0134 0.0021 0.0146 938 ARG 86 HH21 -0.0124 -0.0039 -0.0050 939 ARG 86 HH22 -0.0161 -0.0082 0.0041 940 ALA 87 N 0.0003 0.0471 0.0128 941 ALA 87 CA -0.0069 0.0487 0.0328 942 ALA 87 C -0.0079 0.0516 0.0328 943 ALA 87 O -0.0152 0.0624 0.0435 944 ALA 87 CB -0.0154 0.0661 0.0402 945 ALA 87 H -0.0010 0.0592 0.0039 946 ALA 87 HA -0.0054 0.0356 0.0418 947 ALA 87 HB1 -0.0168 0.0792 0.0309 948 ALA 87 HB2 -0.0146 0.0639 0.0401 949 ALA 87 HB3 -0.0208 0.0677 0.0549 950 ALA 88 N -0.0072 0.0489 0.0311 951 ALA 88 CA -0.0062 0.0464 0.0291 952 ALA 88 C -0.0006 0.0259 0.0321 953 ALA 88 O 0.0043 0.0153 0.0183 954 ALA 88 CB -0.0060 0.0540 0.0095 955 ALA 88 H -0.0039 0.0404 0.0243 956 ALA 88 HA -0.0100 0.0541 0.0404 957 ALA 88 HB1 -0.0022 0.0463 -0.0019 958 ALA 88 HB2 -0.0101 0.0687 0.0078 959 ALA 88 HB3 -0.0054 0.0523 0.0088 960 GLY 89 N 0.0287 0.0022 0.0680 961 GLY 89 CA 0.0106 -0.0022 0.0704 962 GLY 89 C 0.0306 -0.0016 0.0731 963 GLY 89 O 0.0510 -0.0119 0.0899 964 GLY 89 H 0.0497 0.0087 0.0634 965 GLY 89 HA2 -0.0019 -0.0163 0.0863 966 GLY 89 HA3 -0.0052 0.0081 0.0545 967 MET 90 N 0.0151 0.0148 0.0481 968 MET 90 CA 0.0135 0.0167 0.0307 969 MET 90 C 0.0161 0.0282 0.0160 970 MET 90 O 0.0121 0.0219 0.0056 971 MET 90 CB 0.0050 -0.0015 0.0232 972 MET 90 CG 0.0028 -0.0013 0.0072 973 MET 90 SD 0.0044 0.0103 -0.0147 974 MET 90 CE 0.0005 0.0058 -0.0294 975 MET 90 H 0.0186 0.0195 0.0595 976 MET 90 HA 0.0168 0.0238 0.0341 977 MET 90 HB2 0.0033 -0.0096 0.0348 978 MET 90 HB3 0.0017 -0.0077 0.0183 979 MET 90 HG2 0.0060 0.0048 0.0121 980 MET 90 HG3 -0.0032 -0.0148 0.0043 981 MET 90 HE1 0.0035 0.0110 -0.0234 982 MET 90 HE2 0.0011 0.0120 -0.0433 983 MET 90 HE3 -0.0054 -0.0082 -0.0305 984 GLY 91 N 0.0488 0.0307 -0.0130 985 GLY 91 CA 0.0501 0.0552 -0.0330 986 GLY 91 C 0.0373 0.0367 -0.0163 987 GLY 91 O 0.0659 0.0293 -0.0141 988 GLY 91 H 0.0684 0.0079 0.0029 989 GLY 91 HA2 0.0261 0.0785 -0.0487 990 GLY 91 HA3 0.0845 0.0636 -0.0444 991 SER 92 N -0.0409 0.0275 -0.0122 992 SER 92 CA -0.0447 0.0295 -0.0195 993 SER 92 C -0.0427 0.0285 -0.0167 994 SER 92 O -0.0345 0.0254 -0.0160 995 SER 92 CB -0.0404 0.0288 -0.0298 996 SER 92 OG -0.0424 0.0298 -0.0322 997 SER 92 H -0.0340 0.0249 -0.0114 998 SER 92 HA -0.0523 0.0323 -0.0196 999 SER 92 HB2 -0.0329 0.0260 -0.0298 1000 SER 92 HB3 -0.0435 0.0305 -0.0354 1001 SER 92 HG -0.0447 0.0301 -0.0260 1002 TYR 93 N 0.0001 -0.0220 0.0101 1003 TYR 93 CA -0.0009 -0.0214 0.0117 1004 TYR 93 C 0.0060 -0.0286 0.0293 1005 TYR 93 O 0.0140 -0.0356 0.0363 1006 TYR 93 CB 0.0074 -0.0261 -0.0050 1007 TYR 93 CG 0.0056 -0.0245 -0.0066 1008 TYR 93 CD1 -0.0056 -0.0148 -0.0157 1009 TYR 93 CD2 0.0151 -0.0328 0.0008 1010 TYR 93 CE1 -0.0075 -0.0132 -0.0173 1011 TYR 93 CE2 0.0134 -0.0312 -0.0007 1012 TYR 93 CZ 0.0021 -0.0214 -0.0098 1013 TYR 93 OH 0.0003 -0.0199 -0.0112 1014 TYR 93 H 0.0097 -0.0293 0.0081 1015 TYR 93 HA -0.0121 -0.0127 0.0122 1016 TYR 93 HB2 0.0038 -0.0220 -0.0173 1017 TYR 93 HB3 0.0187 -0.0350 -0.0043 1018 TYR 93 HD1 -0.0131 -0.0083 -0.0216 1019 TYR 93 HD2 0.0240 -0.0405 0.0079 1020 TYR 93 HE1 -0.0164 -0.0055 -0.0244 1021 TYR 93 HE2 0.0209 -0.0377 0.0051 1022 TYR 93 HH 0.0008 -0.0216 0.0009 1023 VAL 94 N 0.0161 -0.0418 0.0123 1024 VAL 94 CA -0.0013 -0.0398 -0.0081 1025 VAL 94 C -0.0239 -0.0250 -0.0047 1026 VAL 94 O -0.0334 -0.0130 0.0105 1027 VAL 94 CB -0.0024 -0.0420 -0.0152 1028 VAL 94 CG1 -0.0058 -0.0317 0.0051 1029 VAL 94 CG2 -0.0202 -0.0405 -0.0372 1030 VAL 94 H 0.0241 -0.0428 0.0212 1031 VAL 94 HA 0.0030 -0.0483 -0.0225 1032 VAL 94 HB 0.0133 -0.0531 -0.0195 1033 VAL 94 HG11 -0.0064 -0.0337 -0.0007 1034 VAL 94 HG12 -0.0211 -0.0204 0.0103 1035 VAL 94 HG13 0.0077 -0.0336 0.0199 1036 VAL 94 HG21 -0.0360 -0.0297 -0.0336 1037 VAL 94 HG22 -0.0207 -0.0421 -0.0417 1038 VAL 94 HG23 -0.0166 -0.0487 -0.0519