1 ASP 28 N -0.0163 0.0121 0.0120 2 ASP 28 CA -0.0158 0.0009 -0.0129 3 ASP 28 C -0.0065 0.0236 -0.0335 4 ASP 28 O -0.0013 0.0389 -0.0398 5 ASP 28 CB -0.0204 -0.0230 -0.0269 6 ASP 28 CG -0.0203 -0.0359 -0.0526 7 ASP 28 OD1 -0.0243 -0.0485 -0.0494 8 ASP 28 OD2 -0.0166 -0.0348 -0.0760 9 ASP 28 H -0.0226 -0.0031 0.0264 10 ASP 28 HA -0.0189 -0.0066 -0.0057 11 ASP 28 HB2 -0.0271 -0.0389 -0.0119 12 ASP 28 HB3 -0.0174 -0.0153 -0.0334 13 PRO 29 N 0.0338 -0.0023 0.0119 14 PRO 29 CA 0.0258 -0.0022 0.0103 15 PRO 29 C 0.0247 -0.0006 0.0171 16 PRO 29 O 0.0309 -0.0005 0.0191 17 PRO 29 CB 0.0272 -0.0043 0.0015 18 PRO 29 CG 0.0344 -0.0056 -0.0025 19 PRO 29 CD 0.0400 -0.0043 0.0047 20 PRO 29 HA 0.0200 -0.0020 0.0102 21 PRO 29 HB2 0.0289 -0.0042 0.0025 22 PRO 29 HB3 0.0211 -0.0049 -0.0022 23 PRO 29 HG2 0.0382 -0.0067 -0.0066 24 PRO 29 HG3 0.0316 -0.0063 -0.0062 25 PRO 29 HD2 0.0453 -0.0042 0.0062 26 PRO 29 HD3 0.0426 -0.0048 0.0029 27 ASN 30 N 0.0146 0.0167 0.0044 28 ASN 30 CA 0.0156 0.0185 -0.0124 29 ASN 30 C -0.0043 0.0306 -0.0449 30 ASN 30 O -0.0321 0.0416 -0.0440 31 ASN 30 CB 0.0059 0.0190 0.0137 32 ASN 30 CG 0.0054 0.0211 -0.0012 33 ASN 30 OD1 0.0298 0.0115 -0.0020 34 ASN 30 ND2 -0.0220 0.0334 -0.0119 35 ASN 30 H 0.0351 0.0079 0.0097 36 ASN 30 HA 0.0406 0.0097 -0.0208 37 ASN 30 HB2 0.0230 0.0095 0.0340 38 ASN 30 HB3 -0.0176 0.0269 0.0240 39 ASN 30 HD21 -0.0410 0.0407 -0.0100 40 ASN 30 HD22 -0.0227 0.0349 -0.0218 41 ALA 31 N -0.0130 -0.0498 0.0396 42 ALA 31 CA -0.0140 -0.0235 0.0224 43 ALA 31 C -0.0115 -0.0554 -0.0127 44 ALA 31 O -0.0105 -0.0565 -0.0576 45 ALA 31 CB -0.0160 0.0254 -0.0028 46 ALA 31 H -0.0110 -0.0803 0.0224 47 ALA 31 HA -0.0151 -0.0153 0.0546 48 ALA 31 HB1 -0.0168 0.0447 -0.0136 49 ALA 31 HB2 -0.0149 0.0179 -0.0352 50 ALA 31 HB3 -0.0178 0.0481 0.0225 51 GLU 32 N -0.0261 0.0066 0.0306 52 GLU 32 CA -0.0226 0.0017 0.0217 53 GLU 32 C -0.0412 -0.0210 0.0052 54 GLU 32 O -0.0467 -0.0284 -0.0004 55 GLU 32 CB 0.0073 0.0068 0.0074 56 GLU 32 CG 0.0184 -0.0049 -0.0155 57 GLU 32 CD 0.0478 0.0004 -0.0293 58 GLU 32 OE1 0.0523 -0.0099 -0.0458 59 GLU 32 OE2 0.0668 0.0148 -0.0239 60 GLU 32 H -0.0122 0.0073 0.0217 61 GLU 32 HA -0.0282 0.0112 0.0380 62 GLU 32 HB2 0.0091 0.0032 0.0015 63 GLU 32 HB3 0.0195 0.0230 0.0199 64 GLU 32 HG2 0.0175 -0.0010 -0.0099 65 GLU 32 HG3 0.0057 -0.0212 -0.0278 66 PHE 33 N -0.0181 -0.0123 -0.0028 67 PHE 33 CA -0.0196 -0.0051 -0.0055 68 PHE 33 C -0.0212 0.0026 -0.0093 69 PHE 33 O -0.0213 0.0026 -0.0086 70 PHE 33 CB -0.0211 -0.0021 0.0030 71 PHE 33 CG -0.0223 0.0000 0.0111 72 PHE 33 CD1 -0.0245 0.0084 0.0119 73 PHE 33 CD2 -0.0213 -0.0063 0.0179 74 PHE 33 CE1 -0.0255 0.0103 0.0193 75 PHE 33 CE2 -0.0224 -0.0044 0.0253 76 PHE 33 CZ -0.0245 0.0039 0.0260 77 PHE 33 H -0.0186 -0.0120 0.0028 78 PHE 33 HA -0.0186 -0.0074 -0.0106 79 PHE 33 HB2 -0.0224 0.0038 0.0012 80 PHE 33 HB3 -0.0200 -0.0074 0.0051 81 PHE 33 HD1 -0.0253 0.0134 0.0067 82 PHE 33 HD2 -0.0196 -0.0128 0.0174 83 PHE 33 HE1 -0.0272 0.0168 0.0198 84 PHE 33 HE2 -0.0216 -0.0094 0.0306 85 PHE 33 HZ -0.0254 0.0053 0.0318 86 ASP 34 N -0.0052 0.0210 -0.0009 87 ASP 34 CA -0.0036 0.0162 0.0010 88 ASP 34 C -0.0048 0.0127 -0.0024 89 ASP 34 O -0.0060 0.0142 -0.0043 90 ASP 34 CB -0.0014 0.0166 0.0055 91 ASP 34 CG 0.0005 0.0118 0.0078 92 ASP 34 OD1 0.0003 0.0084 0.0064 93 ASP 34 OD2 0.0022 0.0113 0.0110 94 ASP 34 H -0.0055 0.0232 -0.0008 95 ASP 34 HA -0.0032 0.0147 0.0014 96 ASP 34 HB2 -0.0006 0.0195 0.0077 97 ASP 34 HB3 -0.0018 0.0177 0.0049 98 PRO 35 N -0.0115 0.0052 0.0188 99 PRO 35 CA -0.0137 0.0074 0.0207 100 PRO 35 C -0.0095 0.0129 0.0211 101 PRO 35 O -0.0109 0.0150 0.0226 102 PRO 35 CB -0.0142 0.0018 0.0186 103 PRO 35 CG -0.0089 -0.0013 0.0151 104 PRO 35 CD -0.0083 -0.0002 0.0152 105 PRO 35 HA -0.0181 0.0087 0.0232 106 PRO 35 HB2 -0.0138 0.0032 0.0190 107 PRO 35 HB3 -0.0185 -0.0011 0.0192 108 PRO 35 HG2 -0.0048 0.0008 0.0141 109 PRO 35 HG3 -0.0099 -0.0061 0.0135 110 PRO 35 HD2 -0.0036 0.0009 0.0136 111 PRO 35 HD3 -0.0106 -0.0041 0.0146 112 ASP 36 N -0.0131 -0.0180 0.0461 113 ASP 36 CA -0.0177 0.0001 0.0357 114 ASP 36 C -0.0158 0.0233 0.0201 115 ASP 36 O -0.0297 0.0414 0.0124 116 ASP 36 CB 0.0024 -0.0049 0.0332 117 ASP 36 CG -0.0007 0.0138 0.0220 118 ASP 36 OD1 -0.0197 0.0150 0.0266 119 ASP 36 OD2 0.0163 0.0278 0.0083 120 ASP 36 H 0.0053 -0.0235 0.0445 121 ASP 36 HA -0.0376 0.0001 0.0412 122 ASP 36 HB2 -0.0004 -0.0212 0.0446 123 ASP 36 HB3 0.0224 -0.0064 0.0287 124 LEU 37 N 0.0076 -0.0018 0.0006 125 LEU 37 CA 0.0084 -0.0001 -0.0018 126 LEU 37 C 0.0089 0.0014 -0.0076 127 LEU 37 O 0.0100 0.0038 -0.0090 128 LEU 37 CB 0.0107 0.0040 0.0013 129 LEU 37 CG 0.0103 0.0027 0.0067 130 LEU 37 CD1 0.0084 -0.0008 0.0060 131 LEU 37 CD2 0.0096 0.0008 0.0108 132 LEU 37 H 0.0089 0.0004 0.0022 133 LEU 37 HA 0.0069 -0.0030 -0.0017 134 LEU 37 HB2 0.0120 0.0064 0.0020 135 LEU 37 HB3 0.0114 0.0057 -0.0012 136 LEU 37 HG 0.0120 0.0059 0.0082 137 LEU 37 HD11 0.0083 -0.0016 0.0098 138 LEU 37 HD12 0.0067 -0.0041 0.0044 139 LEU 37 HD13 0.0091 0.0007 0.0033 140 LEU 37 HD21 0.0093 -0.0000 0.0145 141 LEU 37 HD22 0.0110 0.0035 0.0115 142 LEU 37 HD23 0.0079 -0.0023 0.0094 143 PRO 38 N 0.0274 -0.0215 -0.0149 144 PRO 38 CA 0.0298 -0.0212 -0.0208 145 PRO 38 C 0.0202 -0.0103 -0.0202 146 PRO 38 O 0.0126 -0.0071 -0.0095 147 PRO 38 CB 0.0346 -0.0319 -0.0115 148 PRO 38 CG 0.0381 -0.0397 -0.0048 149 PRO 38 CD 0.0308 -0.0319 -0.0033 150 PRO 38 HA 0.0351 -0.0217 -0.0313 151 PRO 38 HB2 0.0289 -0.0293 -0.0040 152 PRO 38 HB3 0.0408 -0.0359 -0.0176 153 PRO 38 HG2 0.0379 -0.0449 0.0052 154 PRO 38 HG3 0.0457 -0.0451 -0.0112 155 PRO 38 HD2 0.0244 -0.0297 0.0064 156 PRO 38 HD3 0.0345 -0.0359 -0.0041 157 GLY 39 N 0.0108 -0.0168 -0.0104 158 GLY 39 CA 0.0021 -0.0085 -0.0107 159 GLY 39 C -0.0023 -0.0043 -0.0122 160 GLY 39 O -0.0093 0.0027 -0.0091 161 GLY 39 H 0.0139 -0.0201 -0.0171 162 GLY 39 HA2 0.0004 -0.0071 -0.0175 163 GLY 39 HA3 0.0005 -0.0064 -0.0029 164 GLY 40 N -0.0028 0.0144 -0.0136 165 GLY 40 CA -0.0033 0.0160 -0.0125 166 GLY 40 C -0.0039 0.0165 -0.0091 167 GLY 40 O -0.0044 0.0182 -0.0078 168 GLY 40 H -0.0022 0.0123 -0.0142 169 GLY 40 HA2 -0.0030 0.0148 -0.0129 170 GLY 40 HA3 -0.0037 0.0181 -0.0137 171 GLY 41 N 0.0038 0.0065 -0.0083 172 GLY 41 CA 0.0047 0.0075 -0.0057 173 GLY 41 C 0.0015 0.0095 -0.0045 174 GLY 41 O 0.0016 0.0104 -0.0026 175 GLY 41 H 0.0044 0.0065 -0.0078 176 GLY 41 HA2 0.0065 0.0078 -0.0036 177 GLY 41 HA3 0.0060 0.0064 -0.0067 178 LEU 42 N -0.0021 0.0069 -0.0138 179 LEU 42 CA -0.0101 0.0018 -0.0117 180 LEU 42 C -0.0126 0.0065 -0.0024 181 LEU 42 O -0.0185 0.0031 -0.0001 182 LEU 42 CB -0.0177 -0.0043 -0.0111 183 LEU 42 CG -0.0164 -0.0096 -0.0199 184 LEU 42 CD1 -0.0244 -0.0152 -0.0182 185 LEU 42 CD2 -0.0147 -0.0145 -0.0284 186 LEU 42 H -0.0029 0.0082 -0.0112 187 LEU 42 HA -0.0091 -0.0016 -0.0173 188 LEU 42 HB2 -0.0187 -0.0009 -0.0052 189 LEU 42 HB3 -0.0235 -0.0080 -0.0094 190 LEU 42 HG -0.0107 -0.0058 -0.0213 191 LEU 42 HD11 -0.0234 -0.0190 -0.0245 192 LEU 42 HD12 -0.0303 -0.0189 -0.0164 193 LEU 42 HD13 -0.0252 -0.0116 -0.0124 194 LEU 42 HD21 -0.0203 -0.0183 -0.0270 195 LEU 42 HD22 -0.0140 -0.0183 -0.0345 196 LEU 42 HD23 -0.0087 -0.0105 -0.0299 197 HIS 43 N -0.0033 0.0055 0.0105 198 HIS 43 CA -0.0045 0.0085 0.0160 199 HIS 43 C 0.0014 0.0065 0.0229 200 HIS 43 O 0.0068 0.0022 0.0222 201 HIS 43 CB -0.0055 0.0077 0.0120 202 HIS 43 CG -0.0109 0.0089 0.0044 203 HIS 43 ND1 -0.0176 0.0140 0.0043 204 HIS 43 CD2 -0.0104 0.0056 -0.0034 205 HIS 43 CE1 -0.0211 0.0138 -0.0032 206 HIS 43 NE2 -0.0168 0.0088 -0.0080 207 HIS 43 H 0.0009 0.0015 0.0086 208 HIS 43 HA -0.0090 0.0128 0.0183 209 HIS 43 HB2 -0.0007 0.0036 0.0109 210 HIS 43 HB3 -0.0069 0.0104 0.0163 211 HIS 43 HD1 -0.0197 0.0174 0.0091 212 HIS 43 HD2 -0.0058 0.0012 -0.0057 213 HIS 43 HE1 -0.0266 0.0173 -0.0049 214 HIS 43 HE2 -0.0183 0.0076 -0.0138 215 ARG 44 N 0.0033 0.0058 0.0167 216 ARG 44 CA 0.0052 0.0078 0.0159 217 ARG 44 C 0.0031 0.0048 0.0198 218 ARG 44 O -0.0010 0.0007 0.0209 219 ARG 44 CB 0.0037 0.0080 0.0092 220 ARG 44 CG 0.0043 0.0098 0.0042 221 ARG 44 CD 0.0022 0.0094 -0.0022 222 ARG 44 NE 0.0023 0.0108 -0.0074 223 ARG 44 CZ 0.0012 0.0112 -0.0135 224 ARG 44 NH1 -0.0003 0.0103 -0.0151 225 ARG 44 NH2 0.0014 0.0126 -0.0179 226 ARG 44 H -0.0002 0.0026 0.0161 227 ARG 44 HA 0.0090 0.0111 0.0169 228 ARG 44 HB2 0.0001 0.0047 0.0087 229 ARG 44 HB3 0.0058 0.0102 0.0086 230 ARG 44 HG2 0.0080 0.0133 0.0043 231 ARG 44 HG3 0.0024 0.0078 0.0051 232 ARG 44 HD2 -0.0014 0.0060 -0.0022 233 ARG 44 HD3 0.0042 0.0115 -0.0030 234 ARG 44 HE 0.0033 0.0114 -0.0062 235 ARG 44 HH11 -0.0005 0.0093 -0.0119 236 ARG 44 HH12 -0.0011 0.0106 -0.0196 237 ARG 44 HH21 0.0025 0.0134 -0.0170 238 ARG 44 HH22 0.0006 0.0130 -0.0225 239 CYS 45 N 0.0111 -0.0023 0.0118 240 CYS 45 CA 0.0106 -0.0057 0.0084 241 CYS 45 C 0.0065 -0.0049 0.0076 242 CYS 45 O 0.0030 -0.0035 0.0077 243 CYS 45 CB 0.0101 -0.0079 0.0062 244 CYS 45 SG 0.0085 -0.0119 0.0018 245 CYS 45 H 0.0095 -0.0009 0.0125 246 CYS 45 HA 0.0134 -0.0069 0.0083 247 CYS 45 HB2 0.0132 -0.0086 0.0067 248 CYS 45 HB3 0.0078 -0.0064 0.0067 249 LEU 46 N -0.0063 -0.0157 0.0063 250 LEU 46 CA -0.0248 -0.0117 0.0072 251 LEU 46 C -0.0336 -0.0261 0.0089 252 LEU 46 O -0.0445 -0.0224 0.0093 253 LEU 46 CB -0.0339 -0.0089 0.0076 254 LEU 46 CG -0.0268 0.0062 0.0060 255 LEU 46 CD1 -0.0358 0.0069 0.0066 256 LEU 46 CD2 -0.0287 0.0236 0.0048 257 LEU 46 H -0.0023 -0.0181 0.0062 258 LEU 46 HA -0.0255 0.0003 0.0064 259 LEU 46 HB2 -0.0329 -0.0208 0.0085 260 LEU 46 HB3 -0.0476 -0.0062 0.0083 261 LEU 46 HG -0.0131 0.0035 0.0053 262 LEU 46 HD11 -0.0333 -0.0052 0.0073 263 LEU 46 HD12 -0.0309 0.0179 0.0054 264 LEU 46 HD13 -0.0498 0.0083 0.0074 265 LEU 46 HD21 -0.0211 0.0234 0.0043 266 LEU 46 HD22 -0.0424 0.0260 0.0055 267 LEU 46 HD23 -0.0239 0.0340 0.0037 268 ALA 47 N -0.0146 -0.0219 -0.0017 269 ALA 47 CA -0.0191 -0.0297 -0.0027 270 ALA 47 C -0.0234 -0.0373 -0.0039 271 ALA 47 O -0.0285 -0.0440 -0.0029 272 ALA 47 CB -0.0153 -0.0312 -0.0102 273 ALA 47 H -0.0098 -0.0189 -0.0061 274 ALA 47 HA -0.0222 -0.0288 0.0031 275 ALA 47 HB1 -0.0188 -0.0367 -0.0107 276 ALA 47 HB2 -0.0123 -0.0321 -0.0161 277 ALA 47 HB3 -0.0123 -0.0257 -0.0093 278 CYS 48 N 0.0005 -0.0068 -0.0005 279 CYS 48 CA 0.0041 -0.0050 -0.0005 280 CYS 48 C 0.0038 0.0010 -0.0030 281 CYS 48 O 0.0059 0.0028 -0.0034 282 CYS 48 CB 0.0104 -0.0066 0.0014 283 CYS 48 SG 0.0109 -0.0137 0.0044 284 CYS 48 H 0.0013 -0.0054 -0.0009 285 CYS 48 HA 0.0023 -0.0073 0.0001 286 CYS 48 HB2 0.0128 -0.0055 0.0015 287 CYS 48 HB3 0.0129 -0.0053 0.0014 288 ALA 49 N 0.0088 0.0032 0.0048 289 ALA 49 CA 0.0109 0.0086 -0.0076 290 ALA 49 C 0.0176 0.0180 0.0011 291 ALA 49 O 0.0224 0.0270 -0.0072 292 ALA 49 CB 0.0146 0.0170 -0.0226 293 ALA 49 H 0.0025 -0.0073 0.0064 294 ALA 49 HA 0.0045 -0.0009 -0.0121 295 ALA 49 HB1 0.0209 0.0265 -0.0181 296 ALA 49 HB2 0.0097 0.0102 -0.0284 297 ALA 49 HB3 0.0157 0.0204 -0.0318 298 ARG 50 N 0.0192 0.0077 0.0083 299 ARG 50 CA 0.0203 0.0117 0.0145 300 ARG 50 C 0.0317 0.0133 0.0226 301 ARG 50 O 0.0411 0.0084 0.0206 302 ARG 50 CB 0.0197 0.0071 0.0077 303 ARG 50 CG 0.0078 0.0057 -0.0001 304 ARG 50 CD 0.0080 0.0011 -0.0065 305 ARG 50 NE -0.0033 -0.0004 -0.0144 306 ARG 50 CZ -0.0052 -0.0050 -0.0215 307 ARG 50 NH1 0.0033 -0.0081 -0.0216 308 ARG 50 NH2 -0.0155 -0.0061 -0.0285 309 ARG 50 H 0.0244 0.0020 0.0032 310 ARG 50 HA 0.0128 0.0174 0.0185 311 ARG 50 HB2 0.0270 0.0013 0.0036 312 ARG 50 HB3 0.0210 0.0103 0.0129 313 ARG 50 HG2 0.0005 0.0115 0.0040 314 ARG 50 HG3 0.0064 0.0025 -0.0054 315 ARG 50 HD2 0.0155 -0.0046 -0.0104 316 ARG 50 HD3 0.0092 0.0045 -0.0012 317 ARG 50 HE -0.0097 0.0021 -0.0141 318 ARG 50 HH11 0.0112 -0.0073 -0.0164 319 ARG 50 HH12 0.0022 -0.0115 -0.0267 320 ARG 50 HH21 -0.0222 -0.0038 -0.0286 321 ARG 50 HH22 -0.0170 -0.0096 -0.0340 322 TYR 51 N 0.0221 0.0034 0.0173 323 TYR 51 CA 0.0187 0.0026 0.0139 324 TYR 51 C 0.0194 0.0029 0.0159 325 TYR 51 O 0.0242 0.0034 0.0166 326 TYR 51 CB 0.0209 0.0020 0.0077 327 TYR 51 CG 0.0209 0.0016 0.0055 328 TYR 51 CD1 0.0257 0.0021 0.0062 329 TYR 51 CD2 0.0162 0.0009 0.0027 330 TYR 51 CE1 0.0258 0.0019 0.0041 331 TYR 51 CE2 0.0162 0.0006 0.0007 332 TYR 51 CZ 0.0210 0.0011 0.0014 333 TYR 51 OH 0.0211 0.0008 -0.0006 334 TYR 51 H 0.0263 0.0036 0.0165 335 TYR 51 HA 0.0143 0.0022 0.0141 336 TYR 51 HB2 0.0253 0.0023 0.0076 337 TYR 51 HB3 0.0183 0.0014 0.0050 338 TYR 51 HD1 0.0295 0.0028 0.0083 339 TYR 51 HD2 0.0124 0.0005 0.0022 340 TYR 51 HE1 0.0296 0.0023 0.0047 341 TYR 51 HE2 0.0125 -0.0000 -0.0015 342 TYR 51 HH 0.0249 0.0009 -0.0024 343 PHE 52 N 0.0098 -0.0026 0.0142 344 PHE 52 CA 0.0087 -0.0024 0.0128 345 PHE 52 C 0.0085 -0.0029 0.0132 346 PHE 52 O 0.0095 -0.0027 0.0141 347 PHE 52 CB 0.0092 -0.0010 0.0115 348 PHE 52 CG 0.0094 -0.0004 0.0110 349 PHE 52 CD1 0.0108 0.0001 0.0117 350 PHE 52 CD2 0.0083 -0.0004 0.0097 351 PHE 52 CE1 0.0110 0.0006 0.0113 352 PHE 52 CE2 0.0085 0.0001 0.0093 353 PHE 52 CZ 0.0099 0.0006 0.0101 354 PHE 52 H 0.0109 -0.0020 0.0146 355 PHE 52 HA 0.0076 -0.0031 0.0125 356 PHE 52 HB2 0.0102 -0.0004 0.0118 357 PHE 52 HB3 0.0083 -0.0009 0.0105 358 PHE 52 HD1 0.0117 0.0001 0.0127 359 PHE 52 HD2 0.0072 -0.0008 0.0091 360 PHE 52 HE1 0.0121 0.0010 0.0119 361 PHE 52 HE2 0.0076 0.0001 0.0083 362 PHE 52 HZ 0.0101 0.0010 0.0097 363 ILE 53 N 0.0143 -0.0024 0.0033 364 ILE 53 CA 0.0012 -0.0182 0.0054 365 ILE 53 C -0.0073 -0.0212 0.0068 366 ILE 53 O -0.0117 -0.0374 0.0075 367 ILE 53 CB -0.0149 -0.0156 0.0080 368 ILE 53 CG1 -0.0254 0.0035 0.0098 369 ILE 53 CG2 -0.0072 -0.0170 0.0068 370 ILE 53 CD1 -0.0419 0.0069 0.0125 371 ILE 53 H 0.0111 0.0083 0.0038 372 ILE 53 HA 0.0089 -0.0310 0.0042 373 ILE 53 HB -0.0245 -0.0273 0.0096 374 ILE 53 HG12 -0.0157 0.0153 0.0082 375 ILE 53 HG13 -0.0308 0.0036 0.0107 376 ILE 53 HG21 0.0034 -0.0060 0.0051 377 ILE 53 HG22 -0.0009 -0.0309 0.0058 378 ILE 53 HG23 -0.0186 -0.0150 0.0087 379 ILE 53 HD11 -0.0523 -0.0043 0.0142 380 ILE 53 HD12 -0.0483 0.0207 0.0135 381 ILE 53 HD13 -0.0369 0.0068 0.0116 382 ASP 54 N -0.0015 -0.0043 0.0049 383 ASP 54 CA -0.0012 0.0017 0.0019 384 ASP 54 C -0.0018 0.0044 0.0049 385 ASP 54 O -0.0022 0.0008 0.0077 386 ASP 54 CB 0.0000 0.0006 -0.0053 387 ASP 54 CG 0.0004 0.0067 -0.0089 388 ASP 54 OD1 0.0005 0.0101 -0.0107 389 ASP 54 OD2 0.0005 0.0081 -0.0100 390 ASP 54 H -0.0017 -0.0070 0.0067 391 ASP 54 HA -0.0015 0.0051 0.0024 392 ASP 54 HB2 0.0004 -0.0016 -0.0073 393 ASP 54 HB3 0.0002 -0.0027 -0.0059 394 SER 55 N -0.0024 0.0060 -0.0025 395 SER 55 CA -0.0058 0.0085 0.0030 396 SER 55 C -0.0033 0.0032 0.0017 397 SER 55 O -0.0052 0.0008 0.0079 398 SER 55 CB -0.0085 0.0188 0.0010 399 SER 55 OG -0.0117 0.0217 0.0059 400 SER 55 H -0.0021 0.0107 -0.0070 401 SER 55 HA -0.0082 0.0070 0.0097 402 SER 55 HB2 -0.0105 0.0222 0.0027 403 SER 55 HB3 -0.0062 0.0208 -0.0059 404 SER 55 HG -0.0102 0.0213 0.0027 405 THR 56 N -0.0012 0.0061 -0.0019 406 THR 56 CA 0.0020 0.0009 -0.0017 407 THR 56 C 0.0030 -0.0060 0.0023 408 THR 56 O 0.0025 -0.0103 0.0059 409 THR 56 CB 0.0077 0.0010 -0.0080 410 THR 56 OG1 0.0067 0.0077 -0.0119 411 THR 56 CG2 0.0108 -0.0038 -0.0080 412 THR 56 H 0.0006 0.0087 -0.0058 413 THR 56 HA -0.0003 0.0018 0.0001 414 THR 56 HB 0.0100 -0.0006 -0.0094 415 THR 56 HG1 0.0063 0.0100 -0.0131 416 THR 56 HG21 0.0148 -0.0037 -0.0124 417 THR 56 HG22 0.0084 -0.0023 -0.0064 418 THR 56 HG23 0.0115 -0.0089 -0.0050 419 ASN 57 N -0.0012 0.0018 -0.0012 420 ASN 57 CA -0.0019 -0.0019 0.0005 421 ASN 57 C 0.0005 0.0001 0.0048 422 ASN 57 O 0.0003 -0.0005 0.0050 423 ASN 57 CB -0.0031 -0.0074 0.0022 424 ASN 57 CG -0.0060 -0.0106 -0.0023 425 ASN 57 OD1 -0.0075 -0.0134 -0.0037 426 ASN 57 ND2 -0.0067 -0.0102 -0.0045 427 ASN 57 H -0.0013 0.0005 -0.0003 428 ASN 57 HA -0.0032 -0.0021 -0.0028 429 ASN 57 HB2 -0.0022 -0.0068 0.0041 430 ASN 57 HB3 -0.0028 -0.0094 0.0050 431 ASN 57 HD21 -0.0055 -0.0080 -0.0033 432 ASN 57 HD22 -0.0085 -0.0123 -0.0074 433 LEU 58 N 0.0009 -0.0023 0.0101 434 LEU 58 CA 0.0022 -0.0018 0.0104 435 LEU 58 C 0.0031 -0.0006 0.0088 436 LEU 58 O 0.0031 -0.0002 0.0081 437 LEU 58 CB 0.0035 -0.0019 0.0123 438 LEU 58 CG 0.0051 -0.0013 0.0128 439 LEU 58 CD1 0.0067 -0.0001 0.0119 440 LEU 58 CD2 0.0046 -0.0014 0.0124 441 LEU 58 H 0.0012 -0.0025 0.0109 442 LEU 58 HA 0.0014 -0.0022 0.0106 443 LEU 58 HB2 0.0027 -0.0028 0.0134 444 LEU 58 HB3 0.0040 -0.0017 0.0123 445 LEU 58 HG 0.0057 -0.0017 0.0143 446 LEU 58 HD11 0.0078 0.0003 0.0123 447 LEU 58 HD12 0.0062 0.0003 0.0104 448 LEU 58 HD13 0.0071 -0.0001 0.0123 449 LEU 58 HD21 0.0041 -0.0010 0.0110 450 LEU 58 HD22 0.0057 -0.0010 0.0129 451 LEU 58 HD23 0.0035 -0.0023 0.0132 452 LYS 59 N 0.0029 -0.0054 -0.0051 453 LYS 59 CA 0.0021 -0.0060 -0.0038 454 LYS 59 C 0.0014 0.0001 -0.0011 455 LYS 59 O 0.0021 0.0016 -0.0022 456 LYS 59 CB -0.0004 -0.0116 -0.0004 457 LYS 59 CG -0.0035 -0.0114 0.0053 458 LYS 59 CD -0.0057 -0.0173 0.0082 459 LYS 59 CE -0.0065 -0.0184 0.0094 460 LYS 59 NZ -0.0081 -0.0136 0.0134 461 LYS 59 H 0.0017 -0.0080 -0.0035 462 LYS 59 HA 0.0041 -0.0067 -0.0078 463 LYS 59 HB2 -0.0008 -0.0121 0.0001 464 LYS 59 HB3 0.0003 -0.0157 -0.0026 465 LYS 59 HG2 -0.0031 -0.0107 0.0048 466 LYS 59 HG3 -0.0043 -0.0075 0.0077 467 LYS 59 HD2 -0.0047 -0.0212 0.0055 468 LYS 59 HD3 -0.0078 -0.0172 0.0119 469 LYS 59 HE2 -0.0045 -0.0184 0.0057 470 LYS 59 HE3 -0.0080 -0.0228 0.0112 471 LYS 59 HZ1 -0.0102 -0.0137 0.0172 472 LYS 59 HZ2 -0.0086 -0.0144 0.0141 473 LYS 59 HZ3 -0.0069 -0.0091 0.0120 474 THR 60 N 0.0035 -0.0056 0.0010 475 THR 60 CA 0.0019 0.0006 0.0024 476 THR 60 C 0.0010 0.0060 -0.0059 477 THR 60 O 0.0004 0.0088 -0.0080 478 THR 60 CB -0.0000 0.0062 0.0102 479 THR 60 OG1 0.0008 0.0010 0.0180 480 THR 60 CG2 -0.0018 0.0128 0.0118 481 THR 60 H 0.0032 -0.0053 0.0044 482 THR 60 HA 0.0027 -0.0029 0.0038 483 THR 60 HB -0.0007 0.0094 0.0086 484 THR 60 HG1 0.0016 -0.0021 0.0176 485 THR 60 HG21 -0.0031 0.0166 0.0173 486 THR 60 HG22 -0.0011 0.0095 0.0132 487 THR 60 HG23 -0.0024 0.0167 0.0061 488 HIS 61 N 0.0047 0.0004 -0.0097 489 HIS 61 CA 0.0048 0.0015 -0.0117 490 HIS 61 C 0.0080 0.0025 -0.0150 491 HIS 61 O 0.0076 0.0042 -0.0176 492 HIS 61 CB 0.0053 -0.0001 -0.0092 493 HIS 61 CG 0.0068 0.0005 -0.0111 494 HIS 61 ND1 0.0047 0.0024 -0.0130 495 HIS 61 CD2 0.0104 -0.0004 -0.0115 496 HIS 61 CE1 0.0069 0.0025 -0.0145 497 HIS 61 NE2 0.0104 0.0009 -0.0137 498 HIS 61 H 0.0054 -0.0013 -0.0073 499 HIS 61 HA 0.0020 0.0030 -0.0125 500 HIS 61 HB2 0.0025 -0.0001 -0.0076 501 HIS 61 HB3 0.0073 -0.0019 -0.0074 502 HIS 61 HD1 0.0019 0.0034 -0.0132 503 HIS 61 HD2 0.0129 -0.0020 -0.0104 504 HIS 61 HE1 0.0066 0.0038 -0.0163 505 PHE 62 N 0.0050 0.0002 -0.0150 506 PHE 62 CA 0.0062 0.0006 -0.0163 507 PHE 62 C 0.0055 0.0020 -0.0163 508 PHE 62 O 0.0063 0.0024 -0.0172 509 PHE 62 CB 0.0074 -0.0013 -0.0164 510 PHE 62 CG 0.0081 -0.0029 -0.0163 511 PHE 62 CD1 0.0090 -0.0026 -0.0172 512 PHE 62 CD2 0.0079 -0.0048 -0.0152 513 PHE 62 CE1 0.0096 -0.0041 -0.0170 514 PHE 62 CE2 0.0085 -0.0063 -0.0151 515 PHE 62 CZ 0.0094 -0.0060 -0.0160 516 PHE 62 H 0.0045 -0.0010 -0.0141 517 PHE 62 HA 0.0070 0.0013 -0.0172 518 PHE 62 HB2 0.0068 -0.0018 -0.0157 519 PHE 62 HB3 0.0084 -0.0008 -0.0176 520 PHE 62 HD1 0.0092 -0.0011 -0.0180 521 PHE 62 HD2 0.0072 -0.0050 -0.0145 522 PHE 62 HE1 0.0103 -0.0038 -0.0178 523 PHE 62 HE2 0.0083 -0.0077 -0.0142 524 PHE 62 HZ 0.0098 -0.0073 -0.0158 525 ARG 63 N 0.0030 0.0014 -0.0138 526 ARG 63 CA 0.0030 0.0013 -0.0170 527 ARG 63 C -0.0005 0.0031 -0.0226 528 ARG 63 O -0.0011 0.0034 -0.0257 529 ARG 63 CB 0.0017 0.0022 -0.0130 530 ARG 63 CG 0.0057 -0.0000 -0.0081 531 ARG 63 CD 0.0043 0.0009 -0.0041 532 ARG 63 NE 0.0035 0.0013 -0.0075 533 ARG 63 CZ 0.0030 0.0017 -0.0051 534 ARG 63 NH1 0.0034 0.0016 0.0008 535 ARG 63 NH2 0.0021 0.0021 -0.0085 536 ARG 63 H 0.0011 0.0026 -0.0101 537 ARG 63 HA 0.0069 -0.0010 -0.0186 538 ARG 63 HB2 -0.0019 0.0044 -0.0109 539 ARG 63 HB3 0.0014 0.0023 -0.0156 540 ARG 63 HG2 0.0093 -0.0022 -0.0102 541 ARG 63 HG3 0.0061 -0.0002 -0.0055 542 ARG 63 HD2 0.0073 -0.0007 -0.0009 543 ARG 63 HD3 0.0007 0.0031 -0.0019 544 ARG 63 HE 0.0032 0.0013 -0.0119 545 ARG 63 HH11 0.0042 0.0012 0.0036 546 ARG 63 HH12 0.0031 0.0019 0.0028 547 ARG 63 HH21 0.0018 0.0021 -0.0130 548 ARG 63 HH22 0.0016 0.0024 -0.0069 549 SER 64 N 0.0044 0.0014 -0.0193 550 SER 64 CA 0.0091 -0.0002 -0.0114 551 SER 64 C 0.0066 0.0065 -0.0041 552 SER 64 O 0.0062 0.0080 -0.0020 553 SER 64 CB 0.0150 -0.0066 -0.0102 554 SER 64 OG 0.0166 -0.0124 -0.0178 555 SER 64 H 0.0046 -0.0001 -0.0218 556 SER 64 HA 0.0102 -0.0015 -0.0115 557 SER 64 HB2 0.0141 -0.0048 -0.0088 558 SER 64 HB3 0.0188 -0.0084 -0.0049 559 SER 64 HG 0.0183 -0.0147 -0.0184 560 LYS 65 N 0.0005 -0.0048 -0.0059 561 LYS 65 CA 0.0158 0.0206 0.0004 562 LYS 65 C 0.0278 0.0173 0.0253 563 LYS 65 O 0.0431 0.0337 0.0392 564 LYS 65 CB 0.0119 0.0396 -0.0230 565 LYS 65 CG -0.0011 0.0281 -0.0369 566 LYS 65 CD 0.0045 0.0202 -0.0200 567 LYS 65 CE -0.0087 0.0090 -0.0346 568 LYS 65 NZ -0.0041 -0.0003 -0.0182 569 LYS 65 H -0.0106 -0.0094 -0.0223 570 LYS 65 HA 0.0224 0.0299 0.0045 571 LYS 65 HB2 0.0235 0.0565 -0.0162 572 LYS 65 HB3 0.0076 0.0470 -0.0372 573 LYS 65 HG2 -0.0032 0.0429 -0.0535 574 LYS 65 HG3 -0.0127 0.0108 -0.0434 575 LYS 65 HD2 0.0068 0.0055 -0.0032 576 LYS 65 HD3 0.0160 0.0378 -0.0140 577 LYS 65 HE2 -0.0102 0.0244 -0.0505 578 LYS 65 HE3 -0.0205 -0.0075 -0.0420 579 LYS 65 HZ1 0.0072 0.0150 -0.0106 580 LYS 65 HZ2 -0.0030 -0.0156 -0.0030 581 LYS 65 HZ3 -0.0132 -0.0073 -0.0288 582 ASP 66 N 0.0332 0.0162 0.0663 583 ASP 66 CA 0.0339 0.0177 0.0616 584 ASP 66 C 0.0261 0.0206 0.0385 585 ASP 66 O 0.0176 0.0187 0.0330 586 ASP 66 CB 0.0556 0.0248 0.0663 587 ASP 66 CG 0.0568 0.0255 0.0656 588 ASP 66 OD1 0.0549 0.0205 0.0823 589 ASP 66 OD2 0.0601 0.0310 0.0489 590 ASP 66 H 0.0461 0.0206 0.0686 591 ASP 66 HA 0.0239 0.0113 0.0719 592 ASP 66 HB2 0.0615 0.0232 0.0817 593 ASP 66 HB3 0.0648 0.0313 0.0545 594 HIS 67 N 0.0096 0.0063 0.0095 595 HIS 67 CA 0.0088 0.0044 0.0011 596 HIS 67 C -0.0003 0.0054 0.0009 597 HIS 67 O -0.0003 0.0051 -0.0003 598 HIS 67 CB 0.0088 0.0024 -0.0076 599 HIS 67 CG 0.0089 0.0003 -0.0166 600 HIS 67 ND1 0.0134 -0.0005 -0.0177 601 HIS 67 CD2 0.0075 -0.0015 -0.0248 602 HIS 67 CE1 0.0151 -0.0027 -0.0264 603 HIS 67 NE2 0.0118 -0.0034 -0.0310 604 HIS 67 H 0.0097 0.0062 0.0091 605 HIS 67 HA 0.0145 0.0037 0.0008 606 HIS 67 HB2 0.0154 0.0015 -0.0082 607 HIS 67 HB3 0.0029 0.0030 -0.0079 608 HIS 67 HD1 0.0153 0.0004 -0.0129 609 HIS 67 HD2 0.0027 -0.0011 -0.0256 610 HIS 67 HE1 0.0186 -0.0039 -0.0298 611 LYS 68 N -0.0040 0.0032 -0.0015 612 LYS 68 CA -0.0095 0.0029 -0.0021 613 LYS 68 C -0.0122 0.0016 0.0018 614 LYS 68 O -0.0165 0.0015 0.0009 615 LYS 68 CB -0.0108 0.0026 -0.0015 616 LYS 68 CG -0.0078 0.0039 -0.0051 617 LYS 68 CD -0.0091 0.0036 -0.0043 618 LYS 68 CE -0.0076 0.0022 0.0011 619 LYS 68 NZ -0.0086 0.0018 0.0019 620 LYS 68 H -0.0019 0.0029 -0.0001 621 LYS 68 HA -0.0106 0.0039 -0.0058 622 LYS 68 HB2 -0.0099 0.0016 0.0024 623 LYS 68 HB3 -0.0150 0.0025 -0.0023 624 LYS 68 HG2 -0.0081 0.0050 -0.0091 625 LYS 68 HG3 -0.0036 0.0040 -0.0044 626 LYS 68 HD2 -0.0133 0.0034 -0.0048 627 LYS 68 HD3 -0.0071 0.0045 -0.0069 628 LYS 68 HE2 -0.0035 0.0023 0.0017 629 LYS 68 HE3 -0.0098 0.0012 0.0038 630 LYS 68 HZ1 -0.0126 0.0017 0.0013 631 LYS 68 HZ2 -0.0074 0.0009 0.0055 632 LYS 68 HZ3 -0.0064 0.0027 -0.0007 633 LYS 69 N 0.0151 0.0190 0.0239 634 LYS 69 CA 0.0052 0.0068 0.0121 635 LYS 69 C -0.0140 0.0129 0.0163 636 LYS 69 O -0.0176 0.0089 0.0124 637 LYS 69 CB -0.0004 -0.0039 0.0021 638 LYS 69 CG -0.0159 -0.0153 -0.0093 639 LYS 69 CD -0.0205 -0.0232 -0.0168 640 LYS 69 CE -0.0368 -0.0345 -0.0282 641 LYS 69 NZ -0.0405 -0.0407 -0.0341 642 LYS 69 H 0.0173 0.0183 0.0234 643 LYS 69 HA 0.0155 0.0009 0.0076 644 LYS 69 HB2 0.0133 -0.0101 -0.0026 645 LYS 69 HB3 -0.0060 0.0029 0.0078 646 LYS 69 HG2 -0.0290 -0.0087 -0.0043 647 LYS 69 HG3 -0.0099 -0.0232 -0.0161 648 LYS 69 HD2 -0.0066 -0.0291 -0.0212 649 LYS 69 HD3 -0.0249 -0.0146 -0.0094 650 LYS 69 HE2 -0.0506 -0.0289 -0.0241 651 LYS 69 HE3 -0.0318 -0.0436 -0.0361 652 LYS 69 HZ1 -0.0521 -0.0484 -0.0419 653 LYS 69 HZ2 -0.0447 -0.0318 -0.0264 654 LYS 69 HZ3 -0.0272 -0.0459 -0.0379 655 ARG 70 N -0.0293 0.0092 0.0116 656 ARG 70 CA -0.0178 0.0073 0.0014 657 ARG 70 C -0.0212 -0.0053 -0.0074 658 ARG 70 O -0.0145 -0.0077 -0.0146 659 ARG 70 CB -0.0094 0.0098 -0.0025 660 ARG 70 CG 0.0036 0.0093 -0.0126 661 ARG 70 CD 0.0111 0.0181 -0.0102 662 ARG 70 NE 0.0234 0.0175 -0.0198 663 ARG 70 CZ 0.0293 0.0200 -0.0220 664 ARG 70 NH1 0.0240 0.0233 -0.0150 665 ARG 70 NH2 0.0405 0.0191 -0.0310 666 ARG 70 H -0.0315 0.0102 0.0142 667 ARG 70 HA -0.0126 0.0134 0.0031 668 ARG 70 HB2 -0.0082 0.0183 0.0042 669 ARG 70 HB3 -0.0145 0.0032 -0.0047 670 ARG 70 HG2 0.0089 0.0114 -0.0147 671 ARG 70 HG3 0.0021 0.0005 -0.0195 672 ARG 70 HD2 0.0056 0.0162 -0.0079 673 ARG 70 HD3 0.0128 0.0269 -0.0035 674 ARG 70 HE 0.0273 0.0151 -0.0250 675 ARG 70 HH11 0.0156 0.0242 -0.0080 676 ARG 70 HH12 0.0283 0.0252 -0.0165 677 ARG 70 HH21 0.0446 0.0167 -0.0362 678 ARG 70 HH22 0.0453 0.0209 -0.0330 679 LEU 71 N -0.0178 -0.0022 -0.0127 680 LEU 71 CA -0.0191 -0.0023 -0.0140 681 LEU 71 C -0.0206 -0.0015 -0.0129 682 LEU 71 O -0.0211 -0.0015 -0.0133 683 LEU 71 CB -0.0202 -0.0025 -0.0155 684 LEU 71 CG -0.0189 -0.0032 -0.0168 685 LEU 71 CD1 -0.0202 -0.0034 -0.0183 686 LEU 71 CD2 -0.0175 -0.0040 -0.0178 687 LEU 71 H -0.0179 -0.0022 -0.0128 688 LEU 71 HA -0.0182 -0.0027 -0.0147 689 LEU 71 HB2 -0.0211 -0.0020 -0.0147 690 LEU 71 HB3 -0.0211 -0.0025 -0.0164 691 LEU 71 HG -0.0181 -0.0032 -0.0159 692 LEU 71 HD11 -0.0211 -0.0035 -0.0192 693 LEU 71 HD12 -0.0212 -0.0029 -0.0176 694 LEU 71 HD13 -0.0193 -0.0039 -0.0191 695 LEU 71 HD21 -0.0165 -0.0039 -0.0167 696 LEU 71 HD22 -0.0182 -0.0040 -0.0186 697 LEU 71 HD23 -0.0166 -0.0045 -0.0187 698 LYS 72 N -0.0097 0.0237 -0.0133 699 LYS 72 CA -0.0129 0.0120 -0.0159 700 LYS 72 C -0.0228 0.0102 -0.0240 701 LYS 72 O -0.0284 0.0052 -0.0286 702 LYS 72 CB -0.0065 0.0026 -0.0108 703 LYS 72 CG -0.0090 -0.0102 -0.0128 704 LYS 72 CD -0.0021 -0.0188 -0.0073 705 LYS 72 CE -0.0044 -0.0315 -0.0092 706 LYS 72 NZ 0.0025 -0.0400 -0.0036 707 LYS 72 H -0.0045 0.0245 -0.0091 708 LYS 72 HA -0.0125 0.0113 -0.0156 709 LYS 72 HB2 0.0005 0.0041 -0.0051 710 LYS 72 HB3 -0.0068 0.0035 -0.0111 711 LYS 72 HG2 -0.0157 -0.0121 -0.0183 712 LYS 72 HG3 -0.0090 -0.0111 -0.0129 713 LYS 72 HD2 0.0047 -0.0167 -0.0018 714 LYS 72 HD3 -0.0021 -0.0179 -0.0073 715 LYS 72 HE2 -0.0111 -0.0336 -0.0146 716 LYS 72 HE3 -0.0048 -0.0322 -0.0095 717 LYS 72 HZ1 0.0029 -0.0396 -0.0033 718 LYS 72 HZ2 0.0090 -0.0382 0.0016 719 LYS 72 HZ3 0.0007 -0.0487 -0.0051 720 GLN 73 N -0.0385 -0.0032 -0.0060 721 GLN 73 CA -0.0366 -0.0042 -0.0000 722 GLN 73 C -0.0386 -0.0022 -0.0128 723 GLN 73 O -0.0459 -0.0021 -0.0105 724 GLN 73 CB -0.0207 -0.0062 0.0073 725 GLN 73 CG -0.0178 -0.0084 0.0208 726 GLN 73 CD -0.0017 -0.0103 0.0273 727 GLN 73 OE1 0.0094 -0.0098 0.0190 728 GLN 73 NE2 -0.0002 -0.0126 0.0419 729 GLN 73 H -0.0296 -0.0037 -0.0064 730 GLN 73 HA -0.0454 -0.0049 0.0086 731 GLN 73 HB2 -0.0119 -0.0055 -0.0013 732 GLN 73 HB3 -0.0195 -0.0069 0.0112 733 GLN 73 HG2 -0.0261 -0.0092 0.0297 734 GLN 73 HG3 -0.0194 -0.0077 0.0170 735 GLN 73 HE21 -0.0095 -0.0128 0.0478 736 GLN 73 HE22 0.0099 -0.0139 0.0467 737 LEU 74 N -0.0069 0.0172 0.0089 738 LEU 74 CA 0.0022 0.0038 0.0082 739 LEU 74 C -0.0045 0.0071 0.0050 740 LEU 74 O 0.0034 -0.0009 0.0065 741 LEU 74 CB 0.0028 -0.0146 -0.0016 742 LEU 74 CG 0.0136 -0.0306 -0.0025 743 LEU 74 CD1 0.0312 -0.0303 0.0109 744 LEU 74 CD2 0.0125 -0.0478 -0.0129 745 LEU 74 H -0.0148 0.0143 0.0013 746 LEU 74 HA 0.0144 0.0048 0.0180 747 LEU 74 HB2 0.0062 -0.0156 0.0004 748 LEU 74 HB3 -0.0095 -0.0147 -0.0110 749 LEU 74 HG 0.0095 -0.0302 -0.0053 750 LEU 74 HD11 0.0385 -0.0418 0.0100 751 LEU 74 HD12 0.0355 -0.0304 0.0142 752 LEU 74 HD13 0.0319 -0.0185 0.0181 753 LEU 74 HD21 0.0166 -0.0485 -0.0103 754 LEU 74 HD22 0.0201 -0.0589 -0.0134 755 LEU 74 HD23 0.0001 -0.0481 -0.0225 756 SER 75 N -0.0331 -0.0067 0.0030 757 SER 75 CA -0.0188 0.0283 0.0077 758 SER 75 C -0.0255 0.0132 0.0041 759 SER 75 O -0.0134 0.0328 0.0183 760 SER 75 CB 0.0037 0.0487 0.0496 761 SER 75 OG 0.0180 0.0843 0.0537 762 SER 75 H -0.0430 -0.0068 -0.0242 763 SER 75 HA -0.0201 0.0518 -0.0193 764 SER 75 HB2 0.0075 0.0592 0.0498 765 SER 75 HB3 0.0049 0.0250 0.0765 766 SER 75 HG 0.0293 0.1068 0.0626 767 VAL 76 N -0.0122 0.0058 -0.0030 768 VAL 76 CA -0.0134 0.0033 -0.0043 769 VAL 76 C -0.0106 0.0127 -0.0118 770 VAL 76 O -0.0078 0.0180 -0.0076 771 VAL 76 CB -0.0189 -0.0079 -0.0104 772 VAL 76 CG1 -0.0202 -0.0103 -0.0121 773 VAL 76 CG2 -0.0218 -0.0174 -0.0033 774 VAL 76 H -0.0146 0.0010 -0.0064 775 VAL 76 HA -0.0124 0.0026 0.0045 776 VAL 76 HB -0.0199 -0.0070 -0.0191 777 VAL 76 HG11 -0.0241 -0.0181 -0.0163 778 VAL 76 HG12 -0.0191 -0.0108 -0.0034 779 VAL 76 HG13 -0.0182 -0.0036 -0.0176 780 VAL 76 HG21 -0.0257 -0.0251 -0.0077 781 VAL 76 HG22 -0.0210 -0.0157 -0.0025 782 VAL 76 HG23 -0.0209 -0.0182 0.0056 783 GLU 77 N -0.0046 0.0055 0.0024 784 GLU 77 CA -0.0019 0.0090 -0.0007 785 GLU 77 C -0.0003 0.0142 -0.0085 786 GLU 77 O -0.0053 0.0140 -0.0146 787 GLU 77 CB -0.0070 0.0057 -0.0011 788 GLU 77 CG -0.0149 0.0025 -0.0053 789 GLU 77 CD -0.0195 -0.0003 -0.0060 790 GLU 77 OE1 -0.0213 -0.0045 -0.0002 791 GLU 77 OE2 -0.0215 0.0018 -0.0124 792 GLU 77 H -0.0079 0.0052 -0.0013 793 GLU 77 HA 0.0032 0.0103 0.0034 794 GLU 77 HB2 -0.0050 0.0088 -0.0044 795 GLU 77 HB3 -0.0067 0.0029 0.0047 796 GLU 77 HG2 -0.0171 -0.0006 -0.0022 797 GLU 77 HG3 -0.0152 0.0054 -0.0111 798 PRO 78 N 0.0274 0.0148 -0.0028 799 PRO 78 CA 0.0363 0.0357 -0.0306 800 PRO 78 C 0.0215 0.0288 -0.0164 801 PRO 78 O 0.0339 0.0027 0.0083 802 PRO 78 CB 0.0850 0.0285 -0.0430 803 PRO 78 CG 0.0984 0.0114 -0.0290 804 PRO 78 CD 0.0665 -0.0054 0.0039 805 PRO 78 HA 0.0209 0.0591 -0.0509 806 PRO 78 HB2 0.0984 0.0151 -0.0333 807 PRO 78 HB3 0.0935 0.0494 -0.0706 808 PRO 78 HG2 0.1298 -0.0043 -0.0243 809 PRO 78 HG3 0.0980 0.0269 -0.0467 810 PRO 78 HD2 0.0754 -0.0270 0.0249 811 PRO 78 HD3 0.0628 -0.0084 0.0088 812 TYR 79 N 0.0175 0.0066 0.0073 813 TYR 79 CA 0.0214 0.0046 0.0148 814 TYR 79 C 0.0294 0.0133 0.0117 815 TYR 79 O 0.0268 0.0160 0.0048 816 TYR 79 CB 0.0128 -0.0032 0.0158 817 TYR 79 CG 0.0057 -0.0123 0.0205 818 TYR 79 CD1 -0.0030 -0.0147 0.0137 819 TYR 79 CD2 0.0079 -0.0183 0.0317 820 TYR 79 CE1 -0.0094 -0.0229 0.0180 821 TYR 79 CE2 0.0016 -0.0265 0.0360 822 TYR 79 CZ -0.0070 -0.0288 0.0291 823 TYR 79 OH -0.0133 -0.0370 0.0335 824 TYR 79 H 0.0195 0.0062 0.0102 825 TYR 79 HA 0.0256 0.0025 0.0227 826 TYR 79 HB2 0.0080 -0.0014 0.0077 827 TYR 79 HB3 0.0163 -0.0040 0.0211 828 TYR 79 HD1 -0.0049 -0.0100 0.0049 829 TYR 79 HD2 0.0147 -0.0165 0.0370 830 TYR 79 HE1 -0.0162 -0.0246 0.0125 831 TYR 79 HE2 0.0035 -0.0311 0.0448 832 TYR 79 HH -0.0087 -0.0374 0.0395 833 SER 80 N -0.0233 0.0017 0.0078 834 SER 80 CA -0.0234 0.0011 0.0074 835 SER 80 C -0.0263 0.0014 0.0096 836 SER 80 O -0.0284 0.0014 0.0111 837 SER 80 CB -0.0207 0.0034 0.0071 838 SER 80 OG -0.0204 0.0029 0.0066 839 SER 80 H -0.0229 0.0038 0.0089 840 SER 80 HA -0.0233 -0.0011 0.0058 841 SER 80 HB2 -0.0187 0.0033 0.0057 842 SER 80 HB3 -0.0208 0.0056 0.0088 843 SER 80 HG -0.0195 0.0013 0.0049 844 GLN 81 N -0.0221 -0.0055 0.0098 845 GLN 81 CA -0.0158 -0.0059 0.0057 846 GLN 81 C -0.0133 -0.0131 0.0073 847 GLN 81 O -0.0152 -0.0182 0.0108 848 GLN 81 CB -0.0113 -0.0048 0.0022 849 GLN 81 CG -0.0048 -0.0041 -0.0025 850 GLN 81 CD -0.0001 -0.0037 -0.0059 851 GLN 81 OE1 -0.0001 -0.0067 -0.0046 852 GLN 81 NE2 0.0041 0.0000 -0.0104 853 GLN 81 H -0.0230 -0.0056 0.0105 854 GLN 81 HA -0.0160 -0.0019 0.0041 855 GLN 81 HB2 -0.0134 -0.0002 0.0015 856 GLN 81 HB3 -0.0105 -0.0093 0.0037 857 GLN 81 HG2 -0.0029 -0.0087 -0.0018 858 GLN 81 HG3 -0.0055 0.0005 -0.0041 859 GLN 81 HE21 0.0038 0.0023 -0.0112 860 GLN 81 HE22 0.0073 0.0003 -0.0127 861 GLU 82 N -0.0112 -0.0071 0.0019 862 GLU 82 CA -0.0099 -0.0099 0.0031 863 GLU 82 C -0.0127 -0.0103 0.0055 864 GLU 82 O -0.0122 -0.0124 0.0068 865 GLU 82 CB -0.0078 -0.0130 0.0040 866 GLU 82 CG -0.0062 -0.0160 0.0053 867 GLU 82 CD -0.0041 -0.0187 0.0060 868 GLU 82 OE1 -0.0055 -0.0202 0.0081 869 GLU 82 OE2 -0.0010 -0.0196 0.0044 870 GLU 82 H -0.0109 -0.0051 0.0001 871 GLU 82 HA -0.0083 -0.0093 0.0015 872 GLU 82 HB2 -0.0058 -0.0125 0.0023 873 GLU 82 HB3 -0.0094 -0.0134 0.0055 874 GLU 82 HG2 -0.0082 -0.0166 0.0072 875 GLU 82 HG3 -0.0047 -0.0155 0.0038 876 GLU 83 N -0.0123 -0.0141 0.0072 877 GLU 83 CA -0.0107 -0.0100 0.0088 878 GLU 83 C -0.0095 -0.0062 0.0092 879 GLU 83 O -0.0090 -0.0025 0.0068 880 GLU 83 CB -0.0100 -0.0111 0.0133 881 GLU 83 CG -0.0083 -0.0070 0.0153 882 GLU 83 CD -0.0077 -0.0084 0.0195 883 GLU 83 OE1 -0.0071 -0.0094 0.0233 884 GLU 83 OE2 -0.0079 -0.0087 0.0189 885 GLU 83 H -0.0123 -0.0154 0.0090 886 GLU 83 HA -0.0110 -0.0088 0.0061 887 GLU 83 HB2 -0.0109 -0.0137 0.0128 888 GLU 83 HB3 -0.0098 -0.0125 0.0160 889 GLU 83 HG2 -0.0073 -0.0046 0.0163 890 GLU 83 HG3 -0.0085 -0.0054 0.0126 891 ALA 84 N -0.0019 0.0006 -0.0022 892 ALA 84 CA 0.0213 0.0121 0.0135 893 ALA 84 C 0.0200 0.0119 0.0230 894 ALA 84 O 0.0330 0.0189 0.0427 895 ALA 84 CB 0.0243 0.0147 0.0383 896 ALA 84 H -0.0176 -0.0061 0.0087 897 ALA 84 HA 0.0374 0.0188 -0.0010 898 ALA 84 HB1 0.0412 0.0230 0.0497 899 ALA 84 HB2 0.0076 0.0076 0.0521 900 ALA 84 HB3 0.0269 0.0155 0.0304 901 GLU 85 N -0.0120 0.0088 0.0014 902 GLU 85 CA -0.0038 0.0121 -0.0052 903 GLU 85 C 0.0016 -0.0001 -0.0106 904 GLU 85 O -0.0009 -0.0082 -0.0091 905 GLU 85 CB -0.0070 0.0168 -0.0022 906 GLU 85 CG 0.0011 0.0230 -0.0085 907 GLU 85 CD 0.0083 0.0141 -0.0151 908 GLU 85 OE1 0.0063 0.0089 -0.0139 909 GLU 85 OE2 0.0159 0.0121 -0.0216 910 GLU 85 H -0.0129 -0.0001 0.0015 911 GLU 85 HA 0.0006 0.0193 -0.0084 912 GLU 85 HB2 -0.0125 0.0236 0.0029 913 GLU 85 HB3 -0.0100 0.0088 -0.0002 914 GLU 85 HG2 0.0048 0.0283 -0.0112 915 GLU 85 HG3 -0.0020 0.0291 -0.0055 916 ARG 86 N -0.0002 0.0023 -0.0187 917 ARG 86 CA -0.0007 0.0074 -0.0143 918 ARG 86 C -0.0030 0.0068 -0.0066 919 ARG 86 O -0.0044 0.0011 -0.0041 920 ARG 86 CB -0.0003 0.0073 -0.0159 921 ARG 86 CG -0.0010 -0.0002 -0.0167 922 ARG 86 CD -0.0034 -0.0045 -0.0101 923 ARG 86 NE -0.0040 -0.0117 -0.0114 924 ARG 86 CZ -0.0059 -0.0172 -0.0072 925 ARG 86 NH1 -0.0075 -0.0163 -0.0010 926 ARG 86 NH2 -0.0062 -0.0236 -0.0092 927 ARG 86 H -0.0010 -0.0028 -0.0179 928 ARG 86 HA 0.0003 0.0126 -0.0157 929 ARG 86 HB2 -0.0011 0.0102 -0.0117 930 ARG 86 HB3 0.0014 0.0101 -0.0206 931 ARG 86 HG2 -0.0006 0.0005 -0.0182 932 ARG 86 HG3 -0.0003 -0.0031 -0.0208 933 ARG 86 HD2 -0.0040 -0.0048 -0.0083 934 ARG 86 HD3 -0.0042 -0.0018 -0.0062 935 ARG 86 HE -0.0028 -0.0124 -0.0159 936 ARG 86 HH11 -0.0074 -0.0116 0.0008 937 ARG 86 HH12 -0.0089 -0.0204 0.0022 938 ARG 86 HH21 -0.0050 -0.0244 -0.0138 939 ARG 86 HH22 -0.0076 -0.0279 -0.0062 940 ALA 87 N 0.0238 -0.0029 -0.0253 941 ALA 87 CA 0.0096 -0.0009 -0.0004 942 ALA 87 C 0.0064 0.0078 0.0007 943 ALA 87 O -0.0057 0.0231 0.0144 944 ALA 87 CB -0.0012 0.0191 0.0084 945 ALA 87 H 0.0247 0.0135 -0.0360 946 ALA 87 HA 0.0095 -0.0197 0.0103 947 ALA 87 HB1 -0.0008 0.0377 -0.0027 948 ALA 87 HB2 0.0013 0.0126 0.0075 949 ALA 87 HB3 -0.0118 0.0210 0.0267 950 ALA 88 N -0.0173 0.0104 0.0635 951 ALA 88 CA -0.0149 -0.0009 0.0626 952 ALA 88 C -0.0048 -0.0491 0.0698 953 ALA 88 O 0.0008 -0.0751 0.0383 954 ALA 88 CB -0.0177 0.0133 0.0193 955 ALA 88 H -0.0135 -0.0074 0.0461 956 ALA 88 HA -0.0186 0.0159 0.0898 957 ALA 88 HB1 -0.0141 -0.0036 -0.0081 958 ALA 88 HB2 -0.0250 0.0479 0.0150 959 ALA 88 HB3 -0.0160 0.0051 0.0204 960 GLY 89 N -0.0017 0.0162 -0.0291 961 GLY 89 CA 0.0040 0.0252 -0.0324 962 GLY 89 C 0.0237 0.0264 -0.0434 963 GLY 89 O 0.0326 0.0109 -0.0482 964 GLY 89 H 0.0062 0.0154 -0.0335 965 GLY 89 HA2 -0.0006 0.0161 -0.0297 966 GLY 89 HA3 -0.0014 0.0401 -0.0296 967 MET 90 N 0.0026 0.0030 0.0045 968 MET 90 CA 0.0009 0.0029 0.0031 969 MET 90 C -0.0007 0.0046 0.0041 970 MET 90 O -0.0003 0.0052 0.0051 971 MET 90 CB 0.0019 0.0015 0.0021 972 MET 90 CG 0.0003 0.0010 0.0003 973 MET 90 SD -0.0018 0.0027 0.0008 974 MET 90 CE -0.0031 0.0016 -0.0016 975 MET 90 H 0.0027 0.0027 0.0042 976 MET 90 HA -0.0000 0.0025 0.0019 977 MET 90 HB2 0.0032 0.0003 0.0016 978 MET 90 HB3 0.0027 0.0019 0.0033 979 MET 90 HG2 -0.0004 0.0005 -0.0009 980 MET 90 HG3 0.0013 -0.0001 -0.0003 981 MET 90 HE1 -0.0037 0.0011 -0.0027 982 MET 90 HE2 -0.0045 0.0025 -0.0015 983 MET 90 HE3 -0.0019 0.0006 -0.0020 984 GLY 91 N -0.0099 -0.0007 -0.0052 985 GLY 91 CA -0.0051 -0.0098 -0.0044 986 GLY 91 C 0.0013 -0.0138 0.0060 987 GLY 91 O 0.0054 -0.0224 0.0058 988 GLY 91 H -0.0095 -0.0014 -0.0051 989 GLY 91 HA2 -0.0062 -0.0076 -0.0044 990 GLY 91 HA3 -0.0050 -0.0161 -0.0112 991 SER 92 N 0.0120 0.0090 0.0159 992 SER 92 CA -0.0069 0.0076 -0.0002 993 SER 92 C -0.0195 0.0159 -0.0033 994 SER 92 O -0.0138 0.0086 -0.0049 995 SER 92 CB -0.0036 -0.0136 -0.0153 996 SER 92 OG 0.0083 -0.0209 -0.0120 997 SER 92 H 0.0212 0.0015 0.0169 998 SER 92 HA -0.0145 0.0161 0.0008 999 SER 92 HB2 0.0040 -0.0222 -0.0165 1000 SER 92 HB3 -0.0179 -0.0145 -0.0274 1001 SER 92 HG 0.0136 -0.0113 0.0002 1002 TYR 93 N 0.0035 -0.0064 0.0004 1003 TYR 93 CA 0.0009 -0.0046 -0.0000 1004 TYR 93 C -0.0018 -0.0058 -0.0015 1005 TYR 93 O -0.0015 -0.0073 -0.0019 1006 TYR 93 CB 0.0010 -0.0012 0.0012 1007 TYR 93 CG -0.0013 0.0010 0.0010 1008 TYR 93 CD1 -0.0007 0.0020 0.0016 1009 TYR 93 CD2 -0.0041 0.0019 0.0002 1010 TYR 93 CE1 -0.0028 0.0040 0.0014 1011 TYR 93 CE2 -0.0062 0.0038 0.0001 1012 TYR 93 CZ -0.0056 0.0049 0.0007 1013 TYR 93 OH -0.0077 0.0068 0.0005 1014 TYR 93 H 0.0039 -0.0060 0.0006 1015 TYR 93 HA 0.0010 -0.0050 -0.0002 1016 TYR 93 HB2 0.0032 -0.0006 0.0022 1017 TYR 93 HB3 0.0007 -0.0008 0.0012 1018 TYR 93 HD1 0.0014 0.0013 0.0022 1019 TYR 93 HD2 -0.0046 0.0011 -0.0002 1020 TYR 93 HE1 -0.0023 0.0048 0.0019 1021 TYR 93 HE2 -0.0084 0.0046 -0.0005 1022 TYR 93 HH -0.0096 0.0059 -0.0005 1023 VAL 94 N 0.0104 0.0024 0.0006 1024 VAL 94 CA 0.0082 0.0011 0.0003 1025 VAL 94 C 0.0077 0.0013 0.0004 1026 VAL 94 O 0.0072 0.0034 0.0008 1027 VAL 94 CB 0.0057 0.0018 0.0005 1028 VAL 94 CG1 0.0052 0.0046 0.0011 1029 VAL 94 CG2 0.0034 0.0003 0.0001 1030 VAL 94 H 0.0103 0.0037 0.0009 1031 VAL 94 HA 0.0086 -0.0009 -0.0002 1032 VAL 94 HB 0.0061 0.0013 0.0004 1033 VAL 94 HG11 0.0035 0.0050 0.0012 1034 VAL 94 HG12 0.0049 0.0051 0.0012 1035 VAL 94 HG13 0.0068 0.0056 0.0013 1036 VAL 94 HG21 0.0031 0.0007 0.0002 1037 VAL 94 HG22 0.0018 0.0008 0.0003 1038 VAL 94 HG23 0.0038 -0.0016 -0.0003