1 ASP 28 N 0.0181 -0.0214 -0.0017 2 ASP 28 CA 0.0076 -0.0234 -0.0007 3 ASP 28 C 0.0139 -0.0222 -0.0013 4 ASP 28 O 0.0219 -0.0176 -0.0096 5 ASP 28 CB -0.0034 -0.0208 -0.0114 6 ASP 28 CG -0.0147 -0.0227 -0.0110 7 ASP 28 OD1 -0.0223 -0.0275 -0.0019 8 ASP 28 OD2 -0.0166 -0.0193 -0.0200 9 ASP 28 H 0.0141 -0.0221 -0.0015 10 ASP 28 HA 0.0032 -0.0278 0.0083 11 ASP 28 HB2 -0.0078 -0.0217 -0.0108 12 ASP 28 HB3 0.0013 -0.0164 -0.0204 13 PRO 29 N -0.0106 -0.0327 0.0338 14 PRO 29 CA 0.0042 -0.0276 0.0313 15 PRO 29 C 0.0359 -0.0598 0.0489 16 PRO 29 O 0.0673 -0.0693 0.0544 17 PRO 29 CB 0.0287 0.0120 0.0106 18 PRO 29 CG 0.0142 0.0322 -0.0004 19 PRO 29 CD 0.0030 0.0007 0.0163 20 PRO 29 HA -0.0236 -0.0266 0.0304 21 PRO 29 HB2 0.0640 0.0063 0.0140 22 PRO 29 HB3 0.0198 0.0283 0.0018 23 PRO 29 HG2 0.0409 0.0505 -0.0098 24 PRO 29 HG3 -0.0148 0.0499 -0.0102 25 PRO 29 HD2 0.0317 -0.0065 0.0205 26 PRO 29 HD3 -0.0242 0.0102 0.0108 27 ASN 30 N 0.0138 -0.0032 -0.0213 28 ASN 30 CA 0.0156 -0.0064 -0.0145 29 ASN 30 C 0.0073 0.0088 -0.0319 30 ASN 30 O -0.0029 0.0280 -0.0237 31 ASN 30 CB 0.0138 -0.0025 0.0157 32 ASN 30 CG 0.0151 -0.0048 0.0251 33 ASN 30 OD1 0.0255 -0.0240 0.0320 34 ASN 30 ND2 0.0048 0.0144 0.0263 35 ASN 30 H 0.0213 -0.0174 -0.0247 36 ASN 30 HA 0.0253 -0.0246 -0.0190 37 ASN 30 HB2 0.0208 -0.0153 0.0262 38 ASN 30 HB3 0.0044 0.0150 0.0193 39 ASN 30 HD21 -0.0033 0.0295 0.0211 40 ASN 30 HD22 0.0055 0.0132 0.0321 41 ALA 31 N 0.0033 0.0181 -0.0391 42 ALA 31 CA 0.0012 0.0173 -0.0423 43 ALA 31 C -0.0007 0.0106 -0.0474 44 ALA 31 O -0.0046 0.0111 -0.0527 45 ALA 31 CB -0.0025 0.0243 -0.0451 46 ALA 31 H 0.0026 0.0152 -0.0410 47 ALA 31 HA 0.0038 0.0164 -0.0389 48 ALA 31 HB1 -0.0039 0.0236 -0.0473 49 ALA 31 HB2 -0.0052 0.0252 -0.0486 50 ALA 31 HB3 -0.0011 0.0290 -0.0415 51 GLU 32 N -0.0087 0.0067 -0.0200 52 GLU 32 CA -0.0177 0.0089 -0.0071 53 GLU 32 C -0.0145 -0.0062 0.0035 54 GLU 32 O -0.0213 -0.0077 0.0167 55 GLU 32 CB -0.0203 0.0180 -0.0123 56 GLU 32 CG -0.0108 0.0108 -0.0208 57 GLU 32 CD -0.0142 0.0201 -0.0251 58 GLU 32 OE1 -0.0184 0.0182 -0.0159 59 GLU 32 OE2 -0.0128 0.0296 -0.0376 60 GLU 32 H -0.0038 0.0076 -0.0292 61 GLU 32 HA -0.0247 0.0151 -0.0018 62 GLU 32 HB2 -0.0271 0.0195 -0.0025 63 GLU 32 HB3 -0.0226 0.0285 -0.0198 64 GLU 32 HG2 -0.0040 0.0095 -0.0310 65 GLU 32 HG3 -0.0083 0.0000 -0.0136 66 PHE 33 N -0.0180 -0.0092 -0.0041 67 PHE 33 CA -0.0146 -0.0174 0.0006 68 PHE 33 C -0.0143 -0.0145 -0.0013 69 PHE 33 O -0.0152 -0.0058 -0.0066 70 PHE 33 CB -0.0027 -0.0215 0.0016 71 PHE 33 CG 0.0060 -0.0140 -0.0042 72 PHE 33 CD1 0.0117 -0.0116 -0.0064 73 PHE 33 CD2 0.0082 -0.0092 -0.0074 74 PHE 33 CE1 0.0195 -0.0047 -0.0117 75 PHE 33 CE2 0.0160 -0.0023 -0.0127 76 PHE 33 CZ 0.0216 -0.0001 -0.0149 77 PHE 33 H -0.0128 -0.0042 -0.0079 78 PHE 33 HA -0.0204 -0.0230 0.0048 79 PHE 33 HB2 0.0003 -0.0270 0.0047 80 PHE 33 HB3 -0.0033 -0.0245 0.0036 81 PHE 33 HD1 0.0101 -0.0153 -0.0039 82 PHE 33 HD2 0.0038 -0.0110 -0.0058 83 PHE 33 HE1 0.0239 -0.0030 -0.0133 84 PHE 33 HE2 0.0177 0.0013 -0.0152 85 PHE 33 HZ 0.0277 0.0054 -0.0190 86 ASP 34 N -0.0115 -0.0309 0.0118 87 ASP 34 CA -0.0102 -0.0265 0.0092 88 ASP 34 C -0.0060 -0.0235 0.0125 89 ASP 34 O -0.0046 -0.0252 0.0166 90 ASP 34 CB -0.0118 -0.0272 0.0072 91 ASP 34 CG -0.0109 -0.0228 0.0040 92 ASP 34 OD1 -0.0078 -0.0199 0.0057 93 ASP 34 OD2 -0.0132 -0.0222 -0.0004 94 ASP 34 H -0.0116 -0.0332 0.0140 95 ASP 34 HA -0.0109 -0.0249 0.0063 96 ASP 34 HB2 -0.0148 -0.0297 0.0053 97 ASP 34 HB3 -0.0109 -0.0285 0.0102 98 PRO 35 N -0.0043 -0.0018 -0.0081 99 PRO 35 CA 0.0083 0.0049 -0.0015 100 PRO 35 C 0.0118 0.0080 -0.0006 101 PRO 35 O 0.0221 0.0140 0.0046 102 PRO 35 CB 0.0116 0.0171 -0.0077 103 PRO 35 CG 0.0010 0.0200 -0.0198 104 PRO 35 CD -0.0094 0.0072 -0.0198 105 PRO 35 HA 0.0130 -0.0003 0.0069 106 PRO 35 HB2 0.0193 0.0245 -0.0062 107 PRO 35 HB3 0.0132 0.0156 -0.0050 108 PRO 35 HG2 0.0015 0.0250 -0.0232 109 PRO 35 HG3 0.0005 0.0255 -0.0245 110 PRO 35 HD2 -0.0158 0.0072 -0.0257 111 PRO 35 HD3 -0.0133 0.0049 -0.0216 112 ASP 36 N -0.0140 -0.0201 0.0196 113 ASP 36 CA -0.0098 -0.0042 0.0158 114 ASP 36 C -0.0105 0.0021 0.0181 115 ASP 36 O -0.0110 0.0159 0.0215 116 ASP 36 CB -0.0006 -0.0032 0.0015 117 ASP 36 CG 0.0042 0.0130 -0.0032 118 ASP 36 OD1 0.0031 0.0226 0.0004 119 ASP 36 OD2 0.0093 0.0163 -0.0106 120 ASP 36 H -0.0112 -0.0284 0.0137 121 ASP 36 HA -0.0128 0.0025 0.0218 122 ASP 36 HB2 -0.0003 -0.0071 0.0003 123 ASP 36 HB3 0.0024 -0.0106 -0.0045 124 LEU 37 N -0.0106 -0.0008 0.0188 125 LEU 37 CA -0.0104 -0.0001 0.0181 126 LEU 37 C -0.0126 -0.0009 0.0235 127 LEU 37 O -0.0136 -0.0050 0.0268 128 LEU 37 CB -0.0081 -0.0043 0.0139 129 LEU 37 CG -0.0056 -0.0029 0.0078 130 LEU 37 CD1 -0.0055 0.0031 0.0060 131 LEU 37 CD2 -0.0050 -0.0035 0.0065 132 LEU 37 H -0.0102 -0.0048 0.0187 133 LEU 37 HA -0.0102 0.0043 0.0165 134 LEU 37 HB2 -0.0081 -0.0087 0.0150 135 LEU 37 HB3 -0.0083 -0.0045 0.0144 136 LEU 37 HG -0.0043 -0.0061 0.0054 137 LEU 37 HD11 -0.0038 0.0039 0.0017 138 LEU 37 HD12 -0.0069 0.0064 0.0083 139 LEU 37 HD13 -0.0058 0.0033 0.0066 140 LEU 37 HD21 -0.0033 -0.0025 0.0022 141 LEU 37 HD22 -0.0050 -0.0080 0.0075 142 LEU 37 HD23 -0.0064 -0.0005 0.0089 143 PRO 38 N -0.0201 0.0093 0.0244 144 PRO 38 CA -0.0218 0.0096 0.0260 145 PRO 38 C -0.0163 0.0054 0.0255 146 PRO 38 O -0.0117 0.0046 0.0206 147 PRO 38 CB -0.0245 0.0151 0.0207 148 PRO 38 CG -0.0263 0.0181 0.0182 149 PRO 38 CD -0.0219 0.0141 0.0187 150 PRO 38 HA -0.0250 0.0094 0.0309 151 PRO 38 HB2 -0.0212 0.0147 0.0168 152 PRO 38 HB3 -0.0284 0.0169 0.0229 153 PRO 38 HG2 -0.0261 0.0210 0.0131 154 PRO 38 HG3 -0.0308 0.0199 0.0213 155 PRO 38 HD2 -0.0181 0.0137 0.0142 156 PRO 38 HD3 -0.0240 0.0152 0.0198 157 GLY 39 N -0.0118 0.0080 0.0215 158 GLY 39 CA -0.0090 0.0044 0.0217 159 GLY 39 C -0.0062 0.0010 0.0218 160 GLY 39 O -0.0032 -0.0018 0.0205 161 GLY 39 H -0.0140 0.0088 0.0243 162 GLY 39 HA2 -0.0099 0.0037 0.0247 163 GLY 39 HA3 -0.0079 0.0050 0.0186 164 GLY 40 N -0.0055 -0.0169 0.0265 165 GLY 40 CA -0.0058 -0.0193 0.0230 166 GLY 40 C -0.0054 -0.0200 0.0191 167 GLY 40 O -0.0057 -0.0224 0.0160 168 GLY 40 H -0.0046 -0.0140 0.0271 169 GLY 40 HA2 -0.0051 -0.0177 0.0220 170 GLY 40 HA3 -0.0070 -0.0223 0.0242 171 GLY 41 N -0.0070 -0.0069 0.0178 172 GLY 41 CA -0.0043 -0.0066 0.0141 173 GLY 41 C -0.0019 -0.0089 0.0132 174 GLY 41 O 0.0007 -0.0093 0.0102 175 GLY 41 H -0.0090 -0.0048 0.0185 176 GLY 41 HA2 -0.0050 -0.0036 0.0124 177 GLY 41 HA3 -0.0032 -0.0075 0.0136 178 LEU 42 N -0.0029 -0.0082 0.0147 179 LEU 42 CA -0.0023 -0.0101 0.0147 180 LEU 42 C -0.0034 -0.0044 0.0143 181 LEU 42 O -0.0024 -0.0050 0.0139 182 LEU 42 CB -0.0066 -0.0150 0.0179 183 LEU 42 CG -0.0061 -0.0211 0.0186 184 LEU 42 CD1 -0.0108 -0.0255 0.0219 185 LEU 42 CD2 -0.0002 -0.0247 0.0160 186 LEU 42 H -0.0067 -0.0080 0.0168 187 LEU 42 HA 0.0019 -0.0124 0.0128 188 LEU 42 HB2 -0.0109 -0.0126 0.0198 189 LEU 42 HB3 -0.0062 -0.0163 0.0178 190 LEU 42 HG -0.0068 -0.0198 0.0188 191 LEU 42 HD11 -0.0103 -0.0298 0.0224 192 LEU 42 HD12 -0.0103 -0.0267 0.0219 193 LEU 42 HD13 -0.0149 -0.0230 0.0237 194 LEU 42 HD21 0.0005 -0.0260 0.0158 195 LEU 42 HD22 -0.0000 -0.0290 0.0167 196 LEU 42 HD23 0.0030 -0.0216 0.0138 197 HIS 43 N -0.0039 0.0069 0.0072 198 HIS 43 CA -0.0041 0.0084 0.0050 199 HIS 43 C -0.0042 0.0067 0.0065 200 HIS 43 O -0.0056 0.0035 0.0059 201 HIS 43 CB -0.0057 0.0077 0.0009 202 HIS 43 CG -0.0058 0.0089 -0.0009 203 HIS 43 ND1 -0.0050 0.0124 -0.0024 204 HIS 43 CD2 -0.0067 0.0071 -0.0015 205 HIS 43 CE1 -0.0054 0.0127 -0.0039 206 HIS 43 NE2 -0.0064 0.0095 -0.0033 207 HIS 43 H -0.0048 0.0042 0.0076 208 HIS 43 HA -0.0030 0.0113 0.0051 209 HIS 43 HB2 -0.0068 0.0048 0.0006 210 HIS 43 HB3 -0.0056 0.0091 -0.0006 211 HIS 43 HD1 -0.0042 0.0145 -0.0024 212 HIS 43 HD2 -0.0074 0.0042 -0.0007 213 HIS 43 HE1 -0.0050 0.0151 -0.0053 214 HIS 43 HE2 -0.0066 0.0091 -0.0037 215 ARG 44 N -0.0061 0.0032 -0.0016 216 ARG 44 CA -0.0047 0.0065 -0.0045 217 ARG 44 C -0.0032 0.0091 -0.0069 218 ARG 44 O -0.0017 0.0075 -0.0071 219 ARG 44 CB -0.0010 0.0045 -0.0060 220 ARG 44 CG -0.0012 0.0009 -0.0038 221 ARG 44 CD 0.0028 -0.0011 -0.0056 222 ARG 44 NE 0.0029 -0.0048 -0.0037 223 ARG 44 CZ 0.0060 -0.0068 -0.0048 224 ARG 44 NH1 0.0093 -0.0053 -0.0079 225 ARG 44 NH2 0.0058 -0.0101 -0.0029 226 ARG 44 H -0.0043 0.0012 -0.0018 227 ARG 44 HA -0.0069 0.0086 -0.0039 228 ARG 44 HB2 0.0015 0.0035 -0.0072 229 ARG 44 HB3 -0.0004 0.0071 -0.0078 230 ARG 44 HG2 -0.0035 0.0021 -0.0029 231 ARG 44 HG3 -0.0020 -0.0015 -0.0020 232 ARG 44 HD2 0.0051 -0.0020 -0.0068 233 ARG 44 HD3 0.0034 0.0014 -0.0075 234 ARG 44 HE 0.0005 -0.0060 -0.0014 235 ARG 44 HH11 0.0095 -0.0028 -0.0095 236 ARG 44 HH12 0.0116 -0.0068 -0.0088 237 ARG 44 HH21 0.0034 -0.0114 -0.0005 238 ARG 44 HH22 0.0081 -0.0116 -0.0037 239 CYS 45 N -0.0021 0.0044 -0.0097 240 CYS 45 CA -0.0027 0.0035 -0.0093 241 CYS 45 C -0.0035 0.0037 -0.0099 242 CYS 45 O -0.0033 0.0042 -0.0101 243 CYS 45 CB -0.0020 0.0030 -0.0087 244 CYS 45 SG -0.0027 0.0019 -0.0084 245 CYS 45 H -0.0016 0.0049 -0.0097 246 CYS 45 HA -0.0030 0.0031 -0.0092 247 CYS 45 HB2 -0.0015 0.0028 -0.0083 248 CYS 45 HB3 -0.0015 0.0035 -0.0088 249 LEU 46 N -0.0006 0.0066 -0.0110 250 LEU 46 CA -0.0024 0.0066 -0.0049 251 LEU 46 C -0.0047 0.0023 -0.0041 252 LEU 46 O -0.0072 -0.0004 -0.0000 253 LEU 46 CB -0.0004 0.0121 -0.0024 254 LEU 46 CG 0.0019 0.0167 -0.0027 255 LEU 46 CD1 0.0039 0.0220 -0.0005 256 LEU 46 CD2 0.0005 0.0158 0.0006 257 LEU 46 H 0.0015 0.0097 -0.0128 258 LEU 46 HA -0.0034 0.0057 -0.0028 259 LEU 46 HB2 0.0007 0.0130 -0.0046 260 LEU 46 HB3 -0.0018 0.0120 0.0020 261 LEU 46 HG 0.0032 0.0166 -0.0071 262 LEU 46 HD11 0.0050 0.0227 -0.0032 263 LEU 46 HD12 0.0055 0.0252 -0.0006 264 LEU 46 HD13 0.0026 0.0219 0.0038 265 LEU 46 HD21 -0.0007 0.0122 -0.0012 266 LEU 46 HD22 -0.0009 0.0155 0.0050 267 LEU 46 HD23 0.0022 0.0192 0.0004 268 ALA 47 N -0.0023 0.0029 -0.0046 269 ALA 47 CA -0.0011 0.0041 -0.0037 270 ALA 47 C 0.0005 0.0052 -0.0036 271 ALA 47 O 0.0018 0.0062 -0.0033 272 ALA 47 CB -0.0021 0.0044 -0.0017 273 ALA 47 H -0.0035 0.0025 -0.0039 274 ALA 47 HA -0.0007 0.0040 -0.0045 275 ALA 47 HB1 -0.0012 0.0053 -0.0011 276 ALA 47 HB2 -0.0025 0.0046 -0.0009 277 ALA 47 HB3 -0.0032 0.0037 -0.0018 278 CYS 48 N -0.0049 0.0018 -0.0015 279 CYS 48 CA -0.0040 0.0013 -0.0017 280 CYS 48 C -0.0043 0.0033 -0.0020 281 CYS 48 O -0.0040 0.0030 -0.0020 282 CYS 48 CB -0.0016 0.0004 -0.0024 283 CYS 48 SG -0.0013 -0.0022 -0.0020 284 CYS 48 H -0.0043 0.0029 -0.0019 285 CYS 48 HA -0.0049 -0.0001 -0.0012 286 CYS 48 HB2 -0.0004 0.0013 -0.0029 287 CYS 48 HB3 -0.0010 0.0000 -0.0025 288 ALA 49 N -0.0061 0.0059 -0.0083 289 ALA 49 CA -0.0064 0.0085 -0.0092 290 ALA 49 C -0.0042 0.0104 -0.0082 291 ALA 49 O -0.0041 0.0127 -0.0087 292 ALA 49 CB -0.0082 0.0096 -0.0106 293 ALA 49 H -0.0065 0.0045 -0.0082 294 ALA 49 HA -0.0069 0.0084 -0.0095 295 ALA 49 HB1 -0.0077 0.0097 -0.0103 296 ALA 49 HB2 -0.0098 0.0082 -0.0113 297 ALA 49 HB3 -0.0085 0.0115 -0.0112 298 ARG 50 N -0.0142 0.0108 -0.0083 299 ARG 50 CA -0.0048 0.0129 -0.0101 300 ARG 50 C -0.0011 0.0184 -0.0125 301 ARG 50 O -0.0032 0.0172 -0.0118 302 ARG 50 CB 0.0014 0.0047 -0.0077 303 ARG 50 CG -0.0013 -0.0010 -0.0053 304 ARG 50 CD 0.0051 -0.0089 -0.0031 305 ARG 50 NE 0.0025 -0.0146 -0.0007 306 ARG 50 CZ 0.0067 -0.0223 0.0017 307 ARG 50 NH1 0.0138 -0.0251 0.0020 308 ARG 50 NH2 0.0037 -0.0272 0.0038 309 ARG 50 H -0.0154 0.0066 -0.0066 310 ARG 50 HA -0.0049 0.0166 -0.0114 311 ARG 50 HB2 0.0013 0.0009 -0.0063 312 ARG 50 HB3 0.0083 0.0068 -0.0092 313 ARG 50 HG2 -0.0011 0.0027 -0.0067 314 ARG 50 HG3 -0.0082 -0.0031 -0.0038 315 ARG 50 HD2 0.0051 -0.0125 -0.0017 316 ARG 50 HD3 0.0120 -0.0067 -0.0046 317 ARG 50 HE -0.0027 -0.0124 -0.0010 318 ARG 50 HH11 0.0164 -0.0216 0.0005 319 ARG 50 HH12 0.0172 -0.0308 0.0038 320 ARG 50 HH21 -0.0017 -0.0253 0.0037 321 ARG 50 HH22 0.0066 -0.0330 0.0057 322 TYR 51 N -0.0078 0.0117 -0.0046 323 TYR 51 CA -0.0069 0.0091 -0.0002 324 TYR 51 C -0.0090 0.0104 0.0028 325 TYR 51 O -0.0121 0.0136 0.0034 326 TYR 51 CB -0.0078 0.0092 0.0023 327 TYR 51 CG -0.0060 0.0083 -0.0006 328 TYR 51 CD1 -0.0076 0.0111 -0.0036 329 TYR 51 CD2 -0.0029 0.0047 -0.0002 330 TYR 51 CE1 -0.0061 0.0104 -0.0063 331 TYR 51 CE2 -0.0013 0.0039 -0.0029 332 TYR 51 CZ -0.0029 0.0068 -0.0059 333 TYR 51 OH -0.0014 0.0060 -0.0086 334 TYR 51 H -0.0101 0.0141 -0.0043 335 TYR 51 HA -0.0042 0.0064 -0.0008 336 TYR 51 HB2 -0.0105 0.0119 0.0031 337 TYR 51 HB3 -0.0070 0.0071 0.0057 338 TYR 51 HD1 -0.0101 0.0140 -0.0040 339 TYR 51 HD2 -0.0016 0.0024 0.0021 340 TYR 51 HE1 -0.0073 0.0126 -0.0087 341 TYR 51 HE2 0.0012 0.0010 -0.0026 342 TYR 51 HH -0.0031 0.0079 -0.0084 343 PHE 52 N -0.0018 0.0034 0.0005 344 PHE 52 CA -0.0011 0.0032 0.0005 345 PHE 52 C -0.0003 0.0038 0.0017 346 PHE 52 O 0.0003 0.0039 0.0022 347 PHE 52 CB -0.0003 0.0022 -0.0004 348 PHE 52 CG -0.0011 0.0016 -0.0016 349 PHE 52 CD1 -0.0014 0.0014 -0.0021 350 PHE 52 CD2 -0.0015 0.0013 -0.0022 351 PHE 52 CE1 -0.0021 0.0008 -0.0032 352 PHE 52 CE2 -0.0022 0.0007 -0.0033 353 PHE 52 CZ -0.0025 0.0005 -0.0038 354 PHE 52 H -0.0013 0.0032 0.0005 355 PHE 52 HA -0.0019 0.0033 0.0004 356 PHE 52 HB2 0.0005 0.0021 -0.0002 357 PHE 52 HB3 0.0002 0.0021 -0.0003 358 PHE 52 HD1 -0.0011 0.0016 -0.0016 359 PHE 52 HD2 -0.0012 0.0014 -0.0019 360 PHE 52 HE1 -0.0024 0.0006 -0.0035 361 PHE 52 HE2 -0.0025 0.0004 -0.0038 362 PHE 52 HZ -0.0031 0.0000 -0.0046 363 ILE 53 N -0.0062 -0.0018 0.0040 364 ILE 53 CA 0.0009 0.0074 0.0005 365 ILE 53 C 0.0069 0.0144 -0.0026 366 ILE 53 O 0.0098 0.0250 -0.0030 367 ILE 53 CB 0.0081 0.0020 -0.0053 368 ILE 53 CG1 0.0137 -0.0078 -0.0106 369 ILE 53 CG2 0.0026 -0.0026 -0.0022 370 ILE 53 CD1 0.0212 -0.0134 -0.0166 371 ILE 53 H -0.0053 -0.0101 0.0021 372 ILE 53 HA -0.0033 0.0135 0.0043 373 ILE 53 HB 0.0135 0.0092 -0.0079 374 ILE 53 HG12 0.0083 -0.0150 -0.0080 375 ILE 53 HG13 0.0176 -0.0041 -0.0127 376 ILE 53 HG21 -0.0032 -0.0094 0.0008 377 ILE 53 HG22 -0.0007 0.0047 0.0012 378 ILE 53 HG23 0.0078 -0.0064 -0.0063 379 ILE 53 HD11 0.0269 -0.0065 -0.0194 380 ILE 53 HD12 0.0246 -0.0203 -0.0199 381 ILE 53 HD13 0.0174 -0.0172 -0.0146 382 ASP 54 N 0.0093 0.0067 -0.0097 383 ASP 54 CA 0.0116 0.0140 -0.0135 384 ASP 54 C 0.0066 0.0112 -0.0080 385 ASP 54 O 0.0040 0.0013 -0.0033 386 ASP 54 CB 0.0216 0.0114 -0.0226 387 ASP 54 CG 0.0247 0.0191 -0.0273 388 ASP 54 OD1 0.0261 0.0294 -0.0309 389 ASP 54 OD2 0.0259 0.0149 -0.0274 390 ASP 54 H 0.0077 -0.0012 -0.0063 391 ASP 54 HA 0.0098 0.0233 -0.0138 392 ASP 54 HB2 0.0250 0.0130 -0.0262 393 ASP 54 HB3 0.0234 0.0021 -0.0222 394 SER 55 N 0.0024 0.0116 -0.0150 395 SER 55 CA -0.0041 0.0082 -0.0093 396 SER 55 C 0.0005 0.0011 -0.0045 397 SER 55 O -0.0030 -0.0039 0.0014 398 SER 55 CB -0.0100 0.0131 -0.0116 399 SER 55 OG -0.0163 0.0100 -0.0063 400 SER 55 H 0.0028 0.0161 -0.0193 401 SER 55 HA -0.0084 0.0073 -0.0069 402 SER 55 HB2 -0.0136 0.0177 -0.0145 403 SER 55 HB3 -0.0059 0.0147 -0.0147 404 SER 55 HG -0.0136 0.0074 -0.0050 405 THR 56 N 0.0036 0.0024 -0.0078 406 THR 56 CA 0.0101 -0.0041 0.0015 407 THR 56 C 0.0142 -0.0057 0.0046 408 THR 56 O 0.0135 -0.0130 0.0121 409 THR 56 CB 0.0206 -0.0016 0.0025 410 THR 56 OG1 0.0168 0.0009 -0.0015 411 THR 56 CG2 0.0265 -0.0089 0.0124 412 THR 56 H 0.0070 0.0077 -0.0123 413 THR 56 HA 0.0043 -0.0099 0.0056 414 THR 56 HB 0.0266 0.0037 -0.0010 415 THR 56 HG1 0.0163 0.0068 -0.0079 416 THR 56 HG21 0.0340 -0.0068 0.0129 417 THR 56 HG22 0.0203 -0.0142 0.0159 418 THR 56 HG23 0.0294 -0.0107 0.0154 419 ASN 57 N 0.0124 -0.0011 -0.0044 420 ASN 57 CA 0.0141 -0.0061 -0.0010 421 ASN 57 C 0.0084 -0.0073 0.0047 422 ASN 57 O 0.0088 -0.0123 0.0092 423 ASN 57 CB 0.0174 -0.0053 -0.0043 424 ASN 57 CG 0.0245 -0.0070 -0.0084 425 ASN 57 OD1 0.0285 -0.0121 -0.0067 426 ASN 57 ND2 0.0262 -0.0028 -0.0137 427 ASN 57 H 0.0126 0.0024 -0.0079 428 ASN 57 HA 0.0175 -0.0100 0.0000 429 ASN 57 HB2 0.0151 -0.0007 -0.0069 430 ASN 57 HB3 0.0167 -0.0078 -0.0014 431 ASN 57 HD21 0.0230 0.0012 -0.0151 432 ASN 57 HD22 0.0308 -0.0039 -0.0163 433 LEU 58 N 0.0037 -0.0011 0.0013 434 LEU 58 CA 0.0012 -0.0021 0.0009 435 LEU 58 C -0.0001 -0.0046 0.0033 436 LEU 58 O -0.0006 -0.0056 0.0043 437 LEU 58 CB -0.0011 -0.0013 -0.0018 438 LEU 58 CG -0.0041 -0.0023 -0.0026 439 LEU 58 CD1 -0.0062 -0.0044 -0.0012 440 LEU 58 CD2 -0.0039 -0.0025 -0.0020 441 LEU 58 H 0.0035 -0.0004 0.0003 442 LEU 58 HA 0.0020 -0.0015 0.0007 443 LEU 58 HB2 -0.0001 0.0005 -0.0034 444 LEU 58 HB3 -0.0014 -0.0015 -0.0018 445 LEU 58 HG -0.0052 -0.0013 -0.0046 446 LEU 58 HD11 -0.0083 -0.0051 -0.0018 447 LEU 58 HD12 -0.0053 -0.0055 0.0009 448 LEU 58 HD13 -0.0065 -0.0041 -0.0017 449 LEU 58 HD21 -0.0029 -0.0036 0.0001 450 LEU 58 HD22 -0.0061 -0.0032 -0.0027 451 LEU 58 HD23 -0.0025 -0.0010 -0.0031 452 LYS 59 N -0.0005 -0.0108 0.0032 453 LYS 59 CA -0.0032 -0.0145 0.0081 454 LYS 59 C -0.0005 -0.0102 0.0146 455 LYS 59 O -0.0012 -0.0112 0.0165 456 LYS 59 CB -0.0075 -0.0207 0.0116 457 LYS 59 CG -0.0068 -0.0194 0.0173 458 LYS 59 CD -0.0112 -0.0257 0.0198 459 LYS 59 CE -0.0142 -0.0300 0.0247 460 LYS 59 NZ -0.0123 -0.0268 0.0323 461 LYS 59 H -0.0012 -0.0118 0.0028 462 LYS 59 HA -0.0041 -0.0160 0.0042 463 LYS 59 HB2 -0.0095 -0.0234 0.0147 464 LYS 59 HB3 -0.0093 -0.0236 0.0068 465 LYS 59 HG2 -0.0047 -0.0164 0.0143 466 LYS 59 HG3 -0.0052 -0.0168 0.0224 467 LYS 59 HD2 -0.0129 -0.0284 0.0146 468 LYS 59 HD3 -0.0105 -0.0246 0.0232 469 LYS 59 HE2 -0.0148 -0.0310 0.0214 470 LYS 59 HE3 -0.0173 -0.0345 0.0259 471 LYS 59 HZ1 -0.0119 -0.0261 0.0358 472 LYS 59 HZ2 -0.0145 -0.0299 0.0354 473 LYS 59 HZ3 -0.0093 -0.0224 0.0317 474 THR 60 N 0.0055 -0.0113 0.0179 475 THR 60 CA 0.0058 -0.0107 0.0185 476 THR 60 C 0.0054 -0.0100 0.0173 477 THR 60 O 0.0054 -0.0101 0.0174 478 THR 60 CB 0.0063 -0.0095 0.0197 479 THR 60 OG1 0.0066 -0.0101 0.0208 480 THR 60 CG2 0.0066 -0.0088 0.0203 481 THR 60 H 0.0056 -0.0108 0.0181 482 THR 60 HA 0.0059 -0.0116 0.0191 483 THR 60 HB 0.0062 -0.0086 0.0191 484 THR 60 HG1 0.0065 -0.0103 0.0204 485 THR 60 HG21 0.0069 -0.0080 0.0211 486 THR 60 HG22 0.0067 -0.0097 0.0209 487 THR 60 HG23 0.0063 -0.0083 0.0195 488 HIS 61 N 0.0061 -0.0039 0.0080 489 HIS 61 CA 0.0066 -0.0028 0.0063 490 HIS 61 C 0.0050 -0.0047 0.0064 491 HIS 61 O 0.0056 -0.0040 0.0064 492 HIS 61 CB 0.0067 -0.0015 0.0027 493 HIS 61 CG 0.0064 -0.0011 0.0004 494 HIS 61 ND1 0.0080 0.0007 0.0004 495 HIS 61 CD2 0.0047 -0.0025 -0.0019 496 HIS 61 CE1 0.0072 0.0004 -0.0017 497 HIS 61 NE2 0.0052 -0.0015 -0.0032 498 HIS 61 H 0.0056 -0.0040 0.0067 499 HIS 61 HA 0.0082 -0.0012 0.0075 500 HIS 61 HB2 0.0083 0.0004 0.0027 501 HIS 61 HB3 0.0054 -0.0027 0.0017 502 HIS 61 HD1 0.0095 0.0020 0.0019 503 HIS 61 HD2 0.0031 -0.0041 -0.0027 504 HIS 61 HE1 0.0078 0.0013 -0.0024 505 PHE 62 N 0.0041 0.0004 0.0058 506 PHE 62 CA 0.0029 -0.0011 0.0057 507 PHE 62 C 0.0029 -0.0016 0.0089 508 PHE 62 O 0.0019 -0.0030 0.0094 509 PHE 62 CB 0.0007 -0.0036 0.0044 510 PHE 62 CG 0.0004 -0.0034 0.0014 511 PHE 62 CD1 0.0012 -0.0020 -0.0011 512 PHE 62 CD2 -0.0006 -0.0046 0.0011 513 PHE 62 CE1 0.0009 -0.0018 -0.0039 514 PHE 62 CE2 -0.0009 -0.0045 -0.0016 515 PHE 62 CZ -0.0001 -0.0031 -0.0041 516 PHE 62 H 0.0036 -0.0003 0.0060 517 PHE 62 HA 0.0035 -0.0001 0.0043 518 PHE 62 HB2 -0.0000 -0.0048 0.0060 519 PHE 62 HB3 0.0001 -0.0043 0.0040 520 PHE 62 HD1 0.0020 -0.0010 -0.0009 521 PHE 62 HD2 -0.0012 -0.0057 0.0031 522 PHE 62 HE1 0.0016 -0.0007 -0.0058 523 PHE 62 HE2 -0.0017 -0.0055 -0.0018 524 PHE 62 HZ -0.0004 -0.0030 -0.0062 525 ARG 63 N 0.0161 -0.0039 0.0258 526 ARG 63 CA 0.0128 0.0015 0.0117 527 ARG 63 C 0.0095 0.0001 0.0089 528 ARG 63 O 0.0059 0.0037 -0.0026 529 ARG 63 CB 0.0036 -0.0020 0.0032 530 ARG 63 CG 0.0076 0.0015 0.0036 531 ARG 63 CD -0.0018 -0.0023 -0.0049 532 ARG 63 NE -0.0065 0.0018 -0.0188 533 ARG 63 CZ -0.0135 0.0013 -0.0288 534 ARG 63 NH1 -0.0163 -0.0027 -0.0267 535 ARG 63 NH2 -0.0175 0.0048 -0.0409 536 ARG 63 H 0.0110 -0.0108 0.0291 537 ARG 63 HA 0.0203 0.0101 0.0093 538 ARG 63 HB2 -0.0034 -0.0108 0.0066 539 ARG 63 HB3 0.0008 0.0016 -0.0070 540 ARG 63 HG2 0.0144 0.0103 -0.0001 541 ARG 63 HG3 0.0105 -0.0019 0.0138 542 ARG 63 HD2 0.0015 0.0007 -0.0045 543 ARG 63 HD3 -0.0085 -0.0111 -0.0009 544 ARG 63 HE -0.0042 0.0050 -0.0206 545 ARG 63 HH11 -0.0133 -0.0053 -0.0177 546 ARG 63 HH12 -0.0216 -0.0033 -0.0341 547 ARG 63 HH21 -0.0153 0.0080 -0.0427 548 ARG 63 HH22 -0.0228 0.0046 -0.0488 549 SER 64 N 0.0200 0.0064 0.0131 550 SER 64 CA 0.0191 0.0058 0.0127 551 SER 64 C 0.0172 0.0035 0.0121 552 SER 64 O 0.0154 0.0038 0.0108 553 SER 64 CB 0.0181 0.0080 0.0113 554 SER 64 OG 0.0196 0.0104 0.0116 555 SER 64 H 0.0195 0.0078 0.0124 556 SER 64 HA 0.0203 0.0053 0.0137 557 SER 64 HB2 0.0166 0.0082 0.0102 558 SER 64 HB3 0.0176 0.0077 0.0111 559 SER 64 HG 0.0208 0.0104 0.0124 560 LYS 65 N 0.0314 -0.0036 -0.0055 561 LYS 65 CA 0.0271 -0.0040 -0.0026 562 LYS 65 C 0.0124 -0.0072 0.0069 563 LYS 65 O 0.0070 -0.0014 0.0121 564 LYS 65 CB 0.0345 -0.0145 -0.0104 565 LYS 65 CG 0.0351 -0.0310 -0.0149 566 LYS 65 CD 0.0219 -0.0409 -0.0082 567 LYS 65 CE 0.0231 -0.0570 -0.0130 568 LYS 65 NZ 0.0103 -0.0666 -0.0065 569 LYS 65 H 0.0372 -0.0108 -0.0113 570 LYS 65 HA 0.0297 0.0076 -0.0015 571 LYS 65 HB2 0.0300 -0.0153 -0.0074 572 LYS 65 HB3 0.0443 -0.0089 -0.0158 573 LYS 65 HG2 0.0412 -0.0364 -0.0205 574 LYS 65 HG3 0.0393 -0.0305 -0.0177 575 LYS 65 HD2 0.0156 -0.0358 -0.0025 576 LYS 65 HD3 0.0179 -0.0416 -0.0055 577 LYS 65 HE2 0.0288 -0.0623 -0.0183 578 LYS 65 HE3 0.0279 -0.0562 -0.0161 579 LYS 65 HZ1 0.0053 -0.0677 -0.0033 580 LYS 65 HZ2 0.0046 -0.0621 -0.0014 581 LYS 65 HZ3 0.0115 -0.0776 -0.0100 582 ASP 66 N 0.0153 -0.0054 0.0019 583 ASP 66 CA 0.0025 -0.0071 0.0011 584 ASP 66 C -0.0017 0.0021 0.0093 585 ASP 66 O -0.0088 0.0015 0.0092 586 ASP 66 CB -0.0075 -0.0102 -0.0011 587 ASP 66 CG -0.0203 -0.0139 -0.0037 588 ASP 66 OD1 -0.0219 -0.0228 -0.0114 589 ASP 66 OD2 -0.0291 -0.0081 0.0019 590 ASP 66 H 0.0159 -0.0048 0.0023 591 ASP 66 HA 0.0035 -0.0130 -0.0041 592 ASP 66 HB2 -0.0035 -0.0158 -0.0063 593 ASP 66 HB3 -0.0093 -0.0039 0.0045 594 HIS 67 N 0.0020 0.0095 0.0156 595 HIS 67 CA 0.0012 0.0105 0.0140 596 HIS 67 C -0.0015 0.0121 0.0143 597 HIS 67 O -0.0026 0.0125 0.0150 598 HIS 67 CB 0.0022 0.0109 0.0109 599 HIS 67 CG 0.0017 0.0117 0.0091 600 HIS 67 ND1 0.0016 0.0115 0.0100 601 HIS 67 CD2 0.0020 0.0123 0.0065 602 HIS 67 CE1 0.0020 0.0119 0.0078 603 HIS 67 NE2 0.0023 0.0124 0.0057 604 HIS 67 H 0.0030 0.0092 0.0146 605 HIS 67 HA 0.0019 0.0099 0.0147 606 HIS 67 HB2 0.0042 0.0098 0.0105 607 HIS 67 HB3 0.0015 0.0115 0.0101 608 HIS 67 HD1 0.0014 0.0111 0.0119 609 HIS 67 HD2 0.0017 0.0128 0.0054 610 HIS 67 HE1 0.0021 0.0119 0.0078 611 LYS 68 N 0.0023 0.0023 0.0099 612 LYS 68 CA 0.0007 0.0048 0.0102 613 LYS 68 C -0.0012 0.0037 0.0127 614 LYS 68 O -0.0032 0.0055 0.0138 615 LYS 68 CB 0.0021 0.0058 0.0082 616 LYS 68 CG 0.0042 0.0066 0.0057 617 LYS 68 CD 0.0056 0.0077 0.0037 618 LYS 68 CE 0.0068 0.0051 0.0038 619 LYS 68 NZ 0.0084 0.0060 0.0018 620 LYS 68 H 0.0039 0.0013 0.0088 621 LYS 68 HA -0.0002 0.0065 0.0102 622 LYS 68 HB2 0.0029 0.0041 0.0084 623 LYS 68 HB3 0.0010 0.0078 0.0083 624 LYS 68 HG2 0.0036 0.0082 0.0055 625 LYS 68 HG3 0.0054 0.0047 0.0055 626 LYS 68 HD2 0.0045 0.0096 0.0038 627 LYS 68 HD3 0.0070 0.0083 0.0019 628 LYS 68 HE2 0.0079 0.0032 0.0037 629 LYS 68 HE3 0.0055 0.0045 0.0055 630 LYS 68 HZ1 0.0074 0.0078 0.0018 631 LYS 68 HZ2 0.0092 0.0042 0.0019 632 LYS 68 HZ3 0.0097 0.0065 0.0002 633 LYS 69 N 0.0128 0.0165 0.0141 634 LYS 69 CA 0.0077 0.0107 0.0137 635 LYS 69 C -0.0017 0.0122 0.0224 636 LYS 69 O -0.0041 0.0137 0.0255 637 LYS 69 CB 0.0057 0.0002 0.0072 638 LYS 69 CG -0.0019 -0.0076 0.0072 639 LYS 69 CD -0.0034 -0.0173 0.0008 640 LYS 69 CE -0.0112 -0.0261 0.0003 641 LYS 69 NZ -0.0122 -0.0350 -0.0058 642 LYS 69 H 0.0144 0.0130 0.0102 643 LYS 69 HA 0.0122 0.0126 0.0116 644 LYS 69 HB2 0.0123 -0.0011 0.0009 645 LYS 69 HB3 0.0035 -0.0008 0.0082 646 LYS 69 HG2 -0.0083 -0.0059 0.0136 647 LYS 69 HG3 0.0005 -0.0075 0.0053 648 LYS 69 HD2 0.0033 -0.0183 -0.0054 649 LYS 69 HD3 -0.0050 -0.0168 0.0026 650 LYS 69 HE2 -0.0179 -0.0250 0.0065 651 LYS 69 HE3 -0.0092 -0.0271 -0.0021 652 LYS 69 HZ1 -0.0178 -0.0413 -0.0063 653 LYS 69 HZ2 -0.0139 -0.0339 -0.0037 654 LYS 69 HZ3 -0.0057 -0.0360 -0.0118 655 ARG 70 N -0.0057 0.0178 0.0207 656 ARG 70 CA -0.0041 0.0204 0.0100 657 ARG 70 C -0.0011 0.0089 0.0078 658 ARG 70 O 0.0016 0.0061 -0.0029 659 ARG 70 CB -0.0070 0.0318 0.0120 660 ARG 70 CG -0.0055 0.0358 0.0004 661 ARG 70 CD -0.0040 0.0389 -0.0109 662 ARG 70 NE -0.0024 0.0422 -0.0223 663 ARG 70 CZ 0.0004 0.0402 -0.0340 664 ARG 70 NH1 0.0019 0.0348 -0.0360 665 ARG 70 NH2 0.0015 0.0437 -0.0437 666 ARG 70 H -0.0082 0.0223 0.0285 667 ARG 70 HA -0.0029 0.0222 0.0019 668 ARG 70 HB2 -0.0093 0.0396 0.0150 669 ARG 70 HB3 -0.0079 0.0293 0.0195 670 ARG 70 HG2 -0.0078 0.0441 0.0025 671 ARG 70 HG3 -0.0035 0.0283 -0.0018 672 ARG 70 HD2 -0.0018 0.0307 -0.0128 673 ARG 70 HD3 -0.0061 0.0466 -0.0088 674 ARG 70 HE -0.0036 0.0463 -0.0209 675 ARG 70 HH11 0.0011 0.0320 -0.0290 676 ARG 70 HH12 0.0041 0.0331 -0.0448 677 ARG 70 HH21 0.0004 0.0478 -0.0424 678 ARG 70 HH22 0.0036 0.0424 -0.0528 679 LEU 71 N -0.0029 0.0142 0.0112 680 LEU 71 CA -0.0039 0.0112 0.0095 681 LEU 71 C -0.0047 0.0109 0.0097 682 LEU 71 O -0.0040 0.0091 0.0078 683 LEU 71 CB -0.0066 0.0095 0.0100 684 LEU 71 CG -0.0063 0.0097 0.0098 685 LEU 71 CD1 -0.0091 0.0077 0.0103 686 LEU 71 CD2 -0.0036 0.0089 0.0073 687 LEU 71 H -0.0042 0.0148 0.0126 688 LEU 71 HA -0.0021 0.0104 0.0076 689 LEU 71 HB2 -0.0084 0.0103 0.0119 690 LEU 71 HB3 -0.0073 0.0074 0.0087 691 LEU 71 HG -0.0059 0.0118 0.0113 692 LEU 71 HD11 -0.0096 0.0055 0.0088 693 LEU 71 HD12 -0.0110 0.0083 0.0121 694 LEU 71 HD13 -0.0088 0.0079 0.0102 695 LEU 71 HD21 -0.0015 0.0104 0.0072 696 LEU 71 HD22 -0.0039 0.0068 0.0058 697 LEU 71 HD23 -0.0034 0.0090 0.0073 698 LYS 72 N -0.0087 0.0151 0.0127 699 LYS 72 CA -0.0073 0.0139 0.0112 700 LYS 72 C -0.0084 0.0138 0.0095 701 LYS 72 O -0.0075 0.0131 0.0090 702 LYS 72 CB -0.0065 0.0131 0.0101 703 LYS 72 CG -0.0050 0.0118 0.0085 704 LYS 72 CD -0.0043 0.0110 0.0076 705 LYS 72 CE -0.0027 0.0097 0.0060 706 LYS 72 NZ -0.0019 0.0090 0.0052 707 LYS 72 H -0.0091 0.0153 0.0127 708 LYS 72 HA -0.0060 0.0136 0.0121 709 LYS 72 HB2 -0.0058 0.0132 0.0113 710 LYS 72 HB3 -0.0079 0.0134 0.0092 711 LYS 72 HG2 -0.0058 0.0117 0.0072 712 LYS 72 HG3 -0.0037 0.0114 0.0094 713 LYS 72 HD2 -0.0035 0.0112 0.0089 714 LYS 72 HD3 -0.0056 0.0113 0.0067 715 LYS 72 HE2 -0.0035 0.0096 0.0047 716 LYS 72 HE3 -0.0015 0.0094 0.0069 717 LYS 72 HZ1 -0.0031 0.0092 0.0043 718 LYS 72 HZ2 -0.0011 0.0091 0.0064 719 LYS 72 HZ3 -0.0008 0.0081 0.0041 720 GLN 73 N 0.0033 0.0125 0.0010 721 GLN 73 CA 0.0017 0.0126 -0.0014 722 GLN 73 C 0.0006 0.0139 -0.0032 723 GLN 73 O -0.0007 0.0129 -0.0052 724 GLN 73 CB 0.0018 0.0144 -0.0013 725 GLN 73 CG 0.0029 0.0132 0.0003 726 GLN 73 CD 0.0030 0.0150 0.0004 727 GLN 73 OE1 0.0029 0.0176 0.0001 728 GLN 73 NE2 0.0032 0.0138 0.0008 729 GLN 73 H 0.0041 0.0137 0.0023 730 GLN 73 HA 0.0013 0.0105 -0.0019 731 GLN 73 HB2 0.0023 0.0165 -0.0008 732 GLN 73 HB3 0.0007 0.0145 -0.0031 733 GLN 73 HG2 0.0024 0.0111 -0.0003 734 GLN 73 HG3 0.0040 0.0130 0.0021 735 GLN 73 HE21 0.0032 0.0117 0.0010 736 GLN 73 HE22 0.0033 0.0148 0.0009 737 LEU 74 N 0.0141 0.0212 -0.0054 738 LEU 74 CA 0.0189 0.0147 -0.0099 739 LEU 74 C 0.0190 0.0038 -0.0108 740 LEU 74 O 0.0239 -0.0021 -0.0153 741 LEU 74 CB 0.0161 0.0147 -0.0076 742 LEU 74 CG 0.0210 0.0092 -0.0121 743 LEU 74 CD1 0.0293 0.0137 -0.0188 744 LEU 74 CD2 0.0174 0.0098 -0.0090 745 LEU 74 H 0.0089 0.0227 -0.0008 746 LEU 74 HA 0.0247 0.0180 -0.0146 747 LEU 74 HB2 0.0154 0.0225 -0.0064 748 LEU 74 HB3 0.0105 0.0110 -0.0030 749 LEU 74 HG 0.0213 0.0013 -0.0129 750 LEU 74 HD11 0.0326 0.0098 -0.0219 751 LEU 74 HD12 0.0293 0.0217 -0.0182 752 LEU 74 HD13 0.0320 0.0128 -0.0212 753 LEU 74 HD21 0.0171 0.0177 -0.0082 754 LEU 74 HD22 0.0209 0.0059 -0.0122 755 LEU 74 HD23 0.0116 0.0063 -0.0043 756 SER 75 N 0.0173 0.0129 -0.0003 757 SER 75 CA 0.0223 0.0108 0.0018 758 SER 75 C 0.0125 -0.0114 0.0046 759 SER 75 O 0.0193 -0.0194 0.0087 760 SER 75 CB 0.0473 0.0146 0.0084 761 SER 75 OG 0.0525 0.0140 0.0101 762 SER 75 H 0.0059 0.0224 -0.0062 763 SER 75 HA 0.0140 0.0234 -0.0041 764 SER 75 HB2 0.0531 0.0304 0.0060 765 SER 75 HB3 0.0555 0.0020 0.0141 766 SER 75 HG 0.0628 0.0262 0.0100 767 VAL 76 N 0.0020 -0.0039 -0.0018 768 VAL 76 CA -0.0012 -0.0100 -0.0029 769 VAL 76 C -0.0087 -0.0139 -0.0009 770 VAL 76 O -0.0099 -0.0206 -0.0033 771 VAL 76 CB -0.0021 -0.0072 -0.0012 772 VAL 76 CG1 -0.0056 -0.0136 -0.0023 773 VAL 76 CG2 0.0052 -0.0035 -0.0032 774 VAL 76 H 0.0029 0.0012 0.0001 775 VAL 76 HA 0.0024 -0.0141 -0.0065 776 VAL 76 HB -0.0056 -0.0031 0.0024 777 VAL 76 HG11 -0.0061 -0.0114 -0.0011 778 VAL 76 HG12 -0.0022 -0.0178 -0.0059 779 VAL 76 HG13 -0.0109 -0.0160 -0.0007 780 VAL 76 HG21 0.0045 -0.0014 -0.0019 781 VAL 76 HG22 0.0075 0.0012 -0.0022 782 VAL 76 HG23 0.0089 -0.0074 -0.0068 783 GLU 77 N -0.0169 -0.0008 0.0012 784 GLU 77 CA -0.0220 -0.0018 0.0021 785 GLU 77 C -0.0242 -0.0002 0.0073 786 GLU 77 O -0.0232 0.0016 0.0106 787 GLU 77 CB -0.0226 -0.0026 0.0006 788 GLU 77 CG -0.0190 -0.0007 0.0028 789 GLU 77 CD -0.0200 -0.0016 0.0015 790 GLU 77 OE1 -0.0186 -0.0030 -0.0027 791 GLU 77 OE2 -0.0222 -0.0008 0.0045 792 GLU 77 H -0.0148 0.0009 0.0038 793 GLU 77 HA -0.0241 -0.0034 -0.0002 794 GLU 77 HB2 -0.0264 -0.0031 0.0020 795 GLU 77 HB3 -0.0221 -0.0042 -0.0032 796 GLU 77 HG2 -0.0152 -0.0002 0.0014 797 GLU 77 HG3 -0.0195 0.0008 0.0066 798 PRO 78 N -0.0253 0.0125 0.0081 799 PRO 78 CA -0.0279 0.0141 0.0125 800 PRO 78 C -0.0307 0.0152 0.0094 801 PRO 78 O -0.0338 0.0164 0.0053 802 PRO 78 CB -0.0320 0.0163 0.0150 803 PRO 78 CG -0.0302 0.0153 0.0132 804 PRO 78 CD -0.0276 0.0135 0.0075 805 PRO 78 HA -0.0252 0.0130 0.0158 806 PRO 78 HB2 -0.0358 0.0180 0.0132 807 PRO 78 HB3 -0.0319 0.0166 0.0197 808 PRO 78 HG2 -0.0336 0.0169 0.0127 809 PRO 78 HG3 -0.0275 0.0141 0.0165 810 PRO 78 HD2 -0.0304 0.0147 0.0039 811 PRO 78 HD3 -0.0245 0.0120 0.0070 812 TYR 79 N -0.0173 0.0025 0.0097 813 TYR 79 CA -0.0170 0.0033 0.0067 814 TYR 79 C -0.0277 -0.0013 0.0180 815 TYR 79 O -0.0225 -0.0038 0.0313 816 TYR 79 CB 0.0001 0.0063 0.0066 817 TYR 79 CG 0.0100 0.0112 -0.0064 818 TYR 79 CD1 0.0192 0.0121 -0.0039 819 TYR 79 CD2 0.0100 0.0149 -0.0212 820 TYR 79 CE1 0.0281 0.0165 -0.0157 821 TYR 79 CE2 0.0188 0.0193 -0.0331 822 TYR 79 CZ 0.0279 0.0202 -0.0303 823 TYR 79 OH 0.0367 0.0247 -0.0422 824 TYR 79 H -0.0227 0.0036 0.0018 825 TYR 79 HA -0.0228 0.0053 -0.0049 826 TYR 79 HB2 0.0063 0.0045 0.0178 827 TYR 79 HB3 -0.0008 0.0065 0.0048 828 TYR 79 HD1 0.0194 0.0093 0.0076 829 TYR 79 HD2 0.0028 0.0142 -0.0233 830 TYR 79 HE1 0.0352 0.0172 -0.0134 831 TYR 79 HE2 0.0186 0.0222 -0.0445 832 TYR 79 HH 0.0294 0.0257 -0.0514 833 SER 80 N -0.0264 0.0004 0.0071 834 SER 80 CA -0.0244 0.0016 0.0059 835 SER 80 C -0.0215 0.0013 0.0053 836 SER 80 O -0.0213 0.0005 0.0056 837 SER 80 CB -0.0241 0.0003 0.0065 838 SER 80 OG -0.0223 0.0016 0.0054 839 SER 80 H -0.0262 -0.0016 0.0079 840 SER 80 HA -0.0251 0.0037 0.0052 841 SER 80 HB2 -0.0262 0.0004 0.0070 842 SER 80 HB3 -0.0233 -0.0018 0.0071 843 SER 80 HG -0.0235 0.0032 0.0050 844 GLN 81 N -0.0063 -0.0065 0.0018 845 GLN 81 CA -0.0050 -0.0066 0.0023 846 GLN 81 C -0.0049 -0.0077 0.0016 847 GLN 81 O -0.0059 -0.0080 0.0009 848 GLN 81 CB -0.0052 -0.0053 0.0032 849 GLN 81 CG -0.0039 -0.0053 0.0038 850 GLN 81 CD -0.0040 -0.0041 0.0046 851 GLN 81 OE1 -0.0051 -0.0036 0.0044 852 GLN 81 NE2 -0.0029 -0.0037 0.0054 853 GLN 81 H -0.0071 -0.0059 0.0019 854 GLN 81 HA -0.0041 -0.0067 0.0027 855 GLN 81 HB2 -0.0055 -0.0046 0.0036 856 GLN 81 HB3 -0.0060 -0.0053 0.0028 857 GLN 81 HG2 -0.0035 -0.0061 0.0034 858 GLN 81 HG3 -0.0030 -0.0053 0.0042 859 GLN 81 HE21 -0.0020 -0.0042 0.0054 860 GLN 81 HE22 -0.0029 -0.0030 0.0059 861 GLU 82 N 0.0005 -0.0044 -0.0109 862 GLU 82 CA 0.0018 -0.0069 -0.0090 863 GLU 82 C -0.0009 -0.0087 -0.0077 864 GLU 82 O -0.0004 -0.0109 -0.0060 865 GLU 82 CB 0.0037 -0.0078 -0.0082 866 GLU 82 CG 0.0052 -0.0103 -0.0063 867 GLU 82 CD 0.0071 -0.0109 -0.0057 868 GLU 82 OE1 0.0057 -0.0116 -0.0053 869 GLU 82 OE2 0.0100 -0.0107 -0.0058 870 GLU 82 H 0.0008 -0.0032 -0.0118 871 GLU 82 HA 0.0033 -0.0067 -0.0091 872 GLU 82 HB2 0.0055 -0.0064 -0.0092 873 GLU 82 HB3 0.0021 -0.0078 -0.0083 874 GLU 82 HG2 0.0033 -0.0117 -0.0053 875 GLU 82 HG3 0.0066 -0.0103 -0.0062 876 GLU 83 N -0.0097 -0.0047 -0.0124 877 GLU 83 CA -0.0038 -0.0047 -0.0165 878 GLU 83 C 0.0042 -0.0036 -0.0118 879 GLU 83 O 0.0105 -0.0035 -0.0150 880 GLU 83 CB -0.0072 -0.0051 -0.0176 881 GLU 83 CG -0.0015 -0.0052 -0.0218 882 GLU 83 CD -0.0056 -0.0057 -0.0235 883 GLU 83 OE1 -0.0067 -0.0051 -0.0180 884 GLU 83 OE2 -0.0079 -0.0067 -0.0306 885 GLU 83 H -0.0108 -0.0041 -0.0066 886 GLU 83 HA -0.0027 -0.0053 -0.0224 887 GLU 83 HB2 -0.0128 -0.0059 -0.0211 888 GLU 83 HB3 -0.0088 -0.0045 -0.0117 889 GLU 83 HG2 0.0037 -0.0043 -0.0180 890 GLU 83 HG3 0.0005 -0.0057 -0.0275 891 ALA 84 N -0.0039 -0.0036 -0.0076 892 ALA 84 CA 0.0037 -0.0009 -0.0024 893 ALA 84 C 0.0023 -0.0017 0.0010 894 ALA 84 O 0.0066 -0.0004 0.0074 895 ALA 84 CB 0.0057 -0.0006 0.0053 896 ALA 84 H -0.0087 -0.0059 -0.0042 897 ALA 84 HA 0.0088 0.0016 -0.0071 898 ALA 84 HB1 0.0112 0.0014 0.0091 899 ALA 84 HB2 0.0004 -0.0032 0.0098 900 ALA 84 HB3 0.0072 0.0002 0.0025 901 GLU 85 N 0.0018 -0.0094 -0.0044 902 GLU 85 CA -0.0003 -0.0100 -0.0016 903 GLU 85 C -0.0044 -0.0095 -0.0058 904 GLU 85 O -0.0093 -0.0097 -0.0063 905 GLU 85 CB -0.0032 -0.0109 0.0038 906 GLU 85 CG -0.0046 -0.0116 0.0078 907 GLU 85 CD -0.0095 -0.0115 0.0059 908 GLU 85 OE1 -0.0146 -0.0119 0.0072 909 GLU 85 OE2 -0.0085 -0.0111 0.0032 910 GLU 85 H -0.0000 -0.0090 -0.0080 911 GLU 85 HA 0.0032 -0.0099 -0.0008 912 GLU 85 HB2 -0.0005 -0.0111 0.0060 913 GLU 85 HB3 -0.0072 -0.0109 0.0027 914 GLU 85 HG2 -0.0008 -0.0113 0.0073 915 GLU 85 HG3 -0.0051 -0.0122 0.0120 916 ARG 86 N -0.0012 -0.0066 -0.0273 917 ARG 86 CA 0.0035 -0.0072 -0.0211 918 ARG 86 C 0.0057 -0.0071 -0.0194 919 ARG 86 O 0.0019 -0.0078 -0.0210 920 ARG 86 CB 0.0006 -0.0104 -0.0150 921 ARG 86 CG -0.0071 -0.0131 -0.0142 922 ARG 86 CD -0.0088 -0.0143 -0.0126 923 ARG 86 NE -0.0163 -0.0167 -0.0125 924 ARG 86 CZ -0.0196 -0.0178 -0.0125 925 ARG 86 NH1 -0.0161 -0.0167 -0.0123 926 ARG 86 NH2 -0.0264 -0.0199 -0.0127 927 ARG 86 H -0.0055 -0.0078 -0.0278 928 ARG 86 HA 0.0081 -0.0054 -0.0221 929 ARG 86 HB2 0.0035 -0.0111 -0.0104 930 ARG 86 HB3 0.0014 -0.0099 -0.0156 931 ARG 86 HG2 -0.0085 -0.0151 -0.0100 932 ARG 86 HG3 -0.0101 -0.0125 -0.0188 933 ARG 86 HD2 -0.0070 -0.0123 -0.0164 934 ARG 86 HD3 -0.0063 -0.0152 -0.0076 935 ARG 86 HE -0.0189 -0.0176 -0.0125 936 ARG 86 HH11 -0.0110 -0.0151 -0.0121 937 ARG 86 HH12 -0.0185 -0.0175 -0.0123 938 ARG 86 HH21 -0.0292 -0.0208 -0.0129 939 ARG 86 HH22 -0.0291 -0.0208 -0.0128 940 ALA 87 N 0.0006 -0.0102 -0.0119 941 ALA 87 CA -0.0022 -0.0100 -0.0098 942 ALA 87 C -0.0065 -0.0064 0.0068 943 ALA 87 O -0.0022 -0.0041 0.0136 944 ALA 87 CB 0.0125 -0.0092 -0.0142 945 ALA 87 H 0.0105 -0.0080 -0.0084 946 ALA 87 HA -0.0115 -0.0130 -0.0169 947 ALA 87 HB1 0.0218 -0.0062 -0.0074 948 ALA 87 HB2 0.0154 -0.0118 -0.0260 949 ALA 87 HB3 0.0106 -0.0090 -0.0124 950 ALA 88 N -0.0130 -0.0065 0.0104 951 ALA 88 CA -0.0075 -0.0126 -0.0065 952 ALA 88 C 0.0160 -0.0384 -0.0038 953 ALA 88 O 0.0287 -0.0524 -0.0238 954 ALA 88 CB -0.0143 -0.0050 -0.0407 955 ALA 88 H -0.0044 -0.0160 0.0072 956 ALA 88 HA -0.0157 -0.0036 0.0043 957 ALA 88 HB1 -0.0061 -0.0141 -0.0520 958 ALA 88 HB2 -0.0312 0.0135 -0.0420 959 ALA 88 HB3 -0.0103 -0.0095 -0.0526 960 GLY 89 N 0.0568 -0.0428 0.0243 961 GLY 89 CA 0.0496 -0.0450 0.0254 962 GLY 89 C 0.0332 -0.0457 0.0287 963 GLY 89 O 0.0270 -0.0353 0.0317 964 GLY 89 H 0.0517 -0.0448 0.0250 965 GLY 89 HA2 0.0525 -0.0359 0.0263 966 GLY 89 HA3 0.0530 -0.0552 0.0231 967 MET 90 N -0.0405 -0.0109 -0.0098 968 MET 90 CA 0.0082 -0.0024 -0.0134 969 MET 90 C 0.0760 -0.0214 -0.1094 970 MET 90 O 0.0403 -0.0553 -0.1884 971 MET 90 CB -0.0727 -0.0138 0.0005 972 MET 90 CG -0.0304 0.0008 0.0188 973 MET 90 SD 0.0530 -0.0166 -0.0817 974 MET 90 CE 0.0752 0.0035 -0.0356 975 MET 90 H -0.0232 0.0109 0.0443 976 MET 90 HA 0.0586 0.0283 0.0473 977 MET 90 HB2 -0.1250 -0.0030 0.0633 978 MET 90 HB3 -0.1161 -0.0448 -0.0652 979 MET 90 HG2 0.0131 0.0318 0.0844 980 MET 90 HG3 -0.0950 -0.0073 0.0330 981 MET 90 HE1 0.1119 0.0344 0.0339 982 MET 90 HE2 0.1244 -0.0048 -0.0891 983 MET 90 HE3 0.0027 -0.0070 -0.0237 984 GLY 91 N 0.0452 0.0474 -0.1024 985 GLY 91 CA -0.0111 0.0263 -0.0148 986 GLY 91 C -0.0627 0.0177 -0.0408 987 GLY 91 O -0.1563 -0.0015 -0.0508 988 GLY 91 H 0.0086 0.0462 -0.1690 989 GLY 91 HA2 0.0407 0.0308 0.0511 990 GLY 91 HA3 -0.0686 0.0119 0.0040 991 SER 92 N -0.0535 -0.0051 0.0302 992 SER 92 CA -0.0556 -0.0163 0.0484 993 SER 92 C -0.0561 -0.0127 0.0719 994 SER 92 O -0.0541 0.0069 0.0801 995 SER 92 CB -0.0545 -0.0073 0.0490 996 SER 92 OG -0.0541 -0.0108 0.0267 997 SER 92 H -0.0515 0.0119 0.0307 998 SER 92 HA -0.0577 -0.0347 0.0445 999 SER 92 HB2 -0.0525 0.0111 0.0530 1000 SER 92 HB3 -0.0562 -0.0164 0.0621 1001 SER 92 HG -0.0542 -0.0151 0.0161 1002 TYR 93 N 0.0291 -0.0061 0.0107 1003 TYR 93 CA 0.0221 -0.0015 0.0080 1004 TYR 93 C 0.0144 -0.0033 0.0019 1005 TYR 93 O 0.0147 -0.0060 0.0010 1006 TYR 93 CB 0.0220 0.0089 0.0124 1007 TYR 93 CG 0.0157 0.0145 0.0107 1008 TYR 93 CD1 0.0179 0.0157 0.0126 1009 TYR 93 CD2 0.0078 0.0187 0.0071 1010 TYR 93 CE1 0.0123 0.0207 0.0110 1011 TYR 93 CE2 0.0022 0.0238 0.0055 1012 TYR 93 CZ 0.0045 0.0248 0.0075 1013 TYR 93 OH -0.0011 0.0298 0.0059 1014 TYR 93 H 0.0295 -0.0038 0.0120 1015 TYR 93 HA 0.0228 -0.0042 0.0072 1016 TYR 93 HB2 0.0280 0.0099 0.0169 1017 TYR 93 HB3 0.0205 0.0116 0.0126 1018 TYR 93 HD1 0.0241 0.0125 0.0154 1019 TYR 93 HD2 0.0060 0.0179 0.0055 1020 TYR 93 HE1 0.0141 0.0215 0.0126 1021 TYR 93 HE2 -0.0040 0.0270 0.0027 1022 TYR 93 HH -0.0062 0.0276 0.0015 1023 VAL 94 N 0.0313 0.0176 -0.0125 1024 VAL 94 CA 0.0217 0.0079 -0.0075 1025 VAL 94 C 0.0213 0.0010 -0.0081 1026 VAL 94 O 0.0192 0.0075 -0.0060 1027 VAL 94 CB 0.0101 0.0139 0.0005 1028 VAL 94 CG1 0.0076 0.0259 0.0033 1029 VAL 94 CG2 0.0003 0.0033 0.0054 1030 VAL 94 H 0.0299 0.0270 -0.0106 1031 VAL 94 HA 0.0233 0.0002 -0.0094 1032 VAL 94 HB 0.0107 0.0174 0.0005 1033 VAL 94 HG11 -0.0004 0.0297 0.0088 1034 VAL 94 HG12 0.0073 0.0230 0.0032 1035 VAL 94 HG13 0.0143 0.0336 -0.0000 1036 VAL 94 HG21 -0.0002 -0.0006 0.0053 1037 VAL 94 HG22 -0.0076 0.0077 0.0109 1038 VAL 94 HG23 0.0018 -0.0046 0.0036