1 ASP 28 N -0.0220 0.0190 0.0148 2 ASP 28 CA -0.0060 0.0264 0.0228 3 ASP 28 C 0.0353 0.0264 0.0266 4 ASP 28 O 0.0525 0.0066 0.0107 5 ASP 28 CB -0.0165 0.0061 0.0038 6 ASP 28 CG -0.0013 0.0125 0.0109 7 ASP 28 OD1 -0.0129 0.0342 0.0291 8 ASP 28 OD2 0.0206 -0.0045 -0.0021 9 ASP 28 H -0.0504 0.0185 0.0117 10 ASP 28 HA -0.0170 0.0469 0.0400 11 ASP 28 HB2 -0.0460 0.0065 0.0014 12 ASP 28 HB3 -0.0061 -0.0144 -0.0134 13 PRO 29 N -0.0230 -0.0212 -0.0111 14 PRO 29 CA -0.0152 -0.0210 -0.0099 15 PRO 29 C -0.0090 -0.0276 -0.0105 16 PRO 29 O -0.0075 -0.0287 -0.0106 17 PRO 29 CB -0.0118 -0.0125 -0.0074 18 PRO 29 CG -0.0190 -0.0076 -0.0073 19 PRO 29 CD -0.0246 -0.0135 -0.0096 20 PRO 29 HA -0.0163 -0.0216 -0.0102 21 PRO 29 HB2 -0.0068 -0.0133 -0.0068 22 PRO 29 HB3 -0.0095 -0.0099 -0.0064 23 PRO 29 HG2 -0.0168 -0.0032 -0.0059 24 PRO 29 HG3 -0.0223 -0.0044 -0.0070 25 PRO 29 HD2 -0.0231 -0.0142 -0.0095 26 PRO 29 HD3 -0.0311 -0.0114 -0.0100 27 ASN 30 N 0.0163 -0.0225 -0.0334 28 ASN 30 CA 0.0027 -0.0104 -0.0154 29 ASN 30 C 0.0224 0.0011 0.0079 30 ASN 30 O 0.0364 0.0008 0.0102 31 ASN 30 CB -0.0087 -0.0166 -0.0281 32 ASN 30 CG -0.0230 -0.0048 -0.0109 33 ASN 30 OD1 -0.0486 0.0001 -0.0075 34 ASN 30 ND2 -0.0070 -0.0006 -0.0005 35 ASN 30 H 0.0058 -0.0250 -0.0396 36 ASN 30 HA -0.0154 -0.0048 -0.0094 37 ASN 30 HB2 -0.0243 -0.0235 -0.0428 38 ASN 30 HB3 0.0097 -0.0234 -0.0361 39 ASN 30 HD21 0.0134 -0.0051 -0.0043 40 ASN 30 HD22 -0.0157 0.0070 0.0107 41 ALA 31 N 0.0184 0.0631 -0.0105 42 ALA 31 CA 0.0153 0.0507 -0.0088 43 ALA 31 C 0.0110 0.0526 -0.0028 44 ALA 31 O 0.0039 0.0540 0.0069 45 ALA 31 CB 0.0098 0.0422 -0.0031 46 ALA 31 H 0.0166 0.0709 -0.0066 47 ALA 31 HA 0.0203 0.0458 -0.0164 48 ALA 31 HB1 0.0078 0.0329 -0.0023 49 ALA 31 HB2 0.0047 0.0469 0.0045 50 ALA 31 HB3 0.0129 0.0408 -0.0075 51 GLU 32 N 0.0148 -0.0773 0.0469 52 GLU 32 CA 0.0561 -0.0500 0.0234 53 GLU 32 C 0.0461 -0.0126 -0.0058 54 GLU 32 O 0.0797 0.0114 -0.0263 55 GLU 32 CB 0.0601 -0.0384 0.0140 56 GLU 32 CG 0.0125 -0.0171 -0.0007 57 GLU 32 CD 0.0199 -0.0052 -0.0105 58 GLU 32 OE1 0.0385 0.0285 -0.0380 59 GLU 32 OE2 0.0081 -0.0292 0.0091 60 GLU 32 H -0.0120 -0.0768 0.0477 61 GLU 32 HA 0.0906 -0.0661 0.0346 62 GLU 32 HB2 0.0917 -0.0185 -0.0031 63 GLU 32 HB3 0.0673 -0.0658 0.0354 64 GLU 32 HG2 -0.0195 -0.0371 0.0165 65 GLU 32 HG3 0.0040 0.0097 -0.0216 66 PHE 33 N 0.0081 0.0024 -0.0015 67 PHE 33 CA 0.0042 -0.0008 -0.0049 68 PHE 33 C -0.0018 -0.0006 -0.0023 69 PHE 33 O -0.0026 0.0022 0.0022 70 PHE 33 CB 0.0060 -0.0024 -0.0080 71 PHE 33 CG 0.0067 -0.0002 -0.0049 72 PHE 33 CD1 0.0021 -0.0002 -0.0031 73 PHE 33 CD2 0.0120 0.0019 -0.0037 74 PHE 33 CE1 0.0028 0.0019 -0.0003 75 PHE 33 CE2 0.0127 0.0039 -0.0009 76 PHE 33 CZ 0.0081 0.0039 0.0008 77 PHE 33 H 0.0092 0.0040 0.0005 78 PHE 33 HA 0.0044 -0.0024 -0.0074 79 PHE 33 HB2 0.0028 -0.0046 -0.0102 80 PHE 33 HB3 0.0100 -0.0029 -0.0102 81 PHE 33 HD1 -0.0020 -0.0017 -0.0040 82 PHE 33 HD2 0.0156 0.0019 -0.0051 83 PHE 33 HE1 -0.0008 0.0019 0.0010 84 PHE 33 HE2 0.0168 0.0055 0.0000 85 PHE 33 HZ 0.0086 0.0055 0.0031 86 ASP 34 N -0.0130 -0.0272 0.0085 87 ASP 34 CA -0.0157 -0.0228 0.0073 88 ASP 34 C -0.0149 -0.0200 0.0099 89 ASP 34 O -0.0135 -0.0220 0.0108 90 ASP 34 CB -0.0186 -0.0238 0.0028 91 ASP 34 CG -0.0216 -0.0194 0.0013 92 ASP 34 OD1 -0.0220 -0.0167 0.0023 93 ASP 34 OD2 -0.0236 -0.0186 -0.0009 94 ASP 34 H -0.0126 -0.0296 0.0077 95 ASP 34 HA -0.0162 -0.0209 0.0077 96 ASP 34 HB2 -0.0190 -0.0261 0.0010 97 ASP 34 HB3 -0.0182 -0.0254 0.0025 98 PRO 35 N -0.0104 -0.0065 -0.0126 99 PRO 35 CA -0.0014 -0.0069 -0.0125 100 PRO 35 C 0.0001 -0.0112 -0.0100 101 PRO 35 O 0.0075 -0.0117 -0.0099 102 PRO 35 CB 0.0009 0.0013 -0.0173 103 PRO 35 CG -0.0073 0.0048 -0.0192 104 PRO 35 CD -0.0146 0.0007 -0.0167 105 PRO 35 HA 0.0027 -0.0094 -0.0111 106 PRO 35 HB2 0.0061 0.0018 -0.0177 107 PRO 35 HB3 0.0029 0.0036 -0.0187 108 PRO 35 HG2 -0.0078 0.0042 -0.0188 109 PRO 35 HG3 -0.0075 0.0107 -0.0226 110 PRO 35 HD2 -0.0199 -0.0003 -0.0160 111 PRO 35 HD3 -0.0168 0.0038 -0.0184 112 ASP 36 N 0.0147 0.0494 -0.0529 113 ASP 36 CA 0.0372 0.0202 -0.0262 114 ASP 36 C 0.0306 -0.0106 0.0155 115 ASP 36 O 0.0624 -0.0387 0.0368 116 ASP 36 CB 0.0148 0.0255 -0.0229 117 ASP 36 CG 0.0354 -0.0046 0.0058 118 ASP 36 OD1 0.0776 -0.0107 -0.0054 119 ASP 36 OD2 0.0090 -0.0228 0.0406 120 ASP 36 H -0.0216 0.0600 -0.0500 121 ASP 36 HA 0.0762 0.0168 -0.0395 122 ASP 36 HB2 0.0223 0.0469 -0.0532 123 ASP 36 HB3 -0.0247 0.0310 -0.0121 124 LEU 37 N -0.0154 -0.0124 0.0260 125 LEU 37 CA -0.0152 -0.0099 0.0255 126 LEU 37 C -0.0186 -0.0095 0.0286 127 LEU 37 O -0.0202 -0.0130 0.0306 128 LEU 37 CB -0.0122 -0.0120 0.0230 129 LEU 37 CG -0.0085 -0.0112 0.0194 130 LEU 37 CD1 -0.0080 -0.0061 0.0182 131 LEU 37 CD2 -0.0075 -0.0137 0.0187 132 LEU 37 H -0.0150 -0.0158 0.0260 133 LEU 37 HA -0.0146 -0.0064 0.0245 134 LEU 37 HB2 -0.0125 -0.0157 0.0237 135 LEU 37 HB3 -0.0127 -0.0106 0.0232 136 LEU 37 HG -0.0068 -0.0127 0.0180 137 LEU 37 HD11 -0.0054 -0.0057 0.0157 138 LEU 37 HD12 -0.0097 -0.0044 0.0196 139 LEU 37 HD13 -0.0085 -0.0045 0.0185 140 LEU 37 HD21 -0.0049 -0.0130 0.0162 141 LEU 37 HD22 -0.0077 -0.0174 0.0194 142 LEU 37 HD23 -0.0092 -0.0123 0.0202 143 PRO 38 N -0.0290 0.0177 0.0315 144 PRO 38 CA -0.0380 0.0207 0.0369 145 PRO 38 C -0.0285 0.0113 0.0362 146 PRO 38 O -0.0158 0.0110 0.0255 147 PRO 38 CB -0.0429 0.0383 0.0271 148 PRO 38 CG -0.0415 0.0449 0.0207 149 PRO 38 CD -0.0287 0.0322 0.0197 150 PRO 38 HA -0.0478 0.0181 0.0474 151 PRO 38 HB2 -0.0354 0.0399 0.0193 152 PRO 38 HB3 -0.0544 0.0435 0.0329 153 PRO 38 HG2 -0.0390 0.0551 0.0104 154 PRO 38 HG3 -0.0519 0.0480 0.0272 155 PRO 38 HD2 -0.0180 0.0329 0.0100 156 PRO 38 HD3 -0.0306 0.0328 0.0209 157 GLY 39 N -0.0235 0.0247 -0.0012 158 GLY 39 CA -0.0154 0.0179 -0.0011 159 GLY 39 C -0.0092 0.0120 0.0010 160 GLY 39 O -0.0015 0.0065 -0.0019 161 GLY 39 H -0.0281 0.0265 0.0048 162 GLY 39 HA2 -0.0162 0.0166 0.0048 163 GLY 39 HA3 -0.0130 0.0185 -0.0086 164 GLY 40 N -0.0136 -0.0128 0.0057 165 GLY 40 CA -0.0102 -0.0166 0.0070 166 GLY 40 C -0.0046 -0.0149 0.0070 167 GLY 40 O -0.0011 -0.0175 0.0080 168 GLY 40 H -0.0155 -0.0134 0.0057 169 GLY 40 HA2 -0.0108 -0.0200 0.0079 170 GLY 40 HA3 -0.0110 -0.0173 0.0071 171 GLY 41 N -0.0058 -0.0157 0.0136 172 GLY 41 CA -0.0034 -0.0147 0.0135 173 GLY 41 C 0.0007 -0.0123 0.0123 174 GLY 41 O 0.0034 -0.0113 0.0125 175 GLY 41 H -0.0082 -0.0158 0.0115 176 GLY 41 HA2 -0.0051 -0.0144 0.0115 177 GLY 41 HA3 -0.0028 -0.0158 0.0165 178 LEU 42 N 0.0042 -0.0098 0.0071 179 LEU 42 CA 0.0131 0.0215 0.0027 180 LEU 42 C 0.0169 0.0156 -0.0130 181 LEU 42 O 0.0229 0.0391 -0.0143 182 LEU 42 CB 0.0254 0.0425 -0.0194 183 LEU 42 CG 0.0235 0.0514 -0.0073 184 LEU 42 CD1 0.0366 0.0717 -0.0321 185 LEU 42 CD2 0.0169 0.0708 0.0265 186 LEU 42 H 0.0083 -0.0192 -0.0118 187 LEU 42 HA 0.0086 0.0356 0.0263 188 LEU 42 HB2 0.0301 0.0285 -0.0433 189 LEU 42 HB3 0.0319 0.0656 -0.0224 190 LEU 42 HG 0.0174 0.0282 -0.0054 191 LEU 42 HD11 0.0351 0.0780 -0.0231 192 LEU 42 HD12 0.0432 0.0947 -0.0356 193 LEU 42 HD13 0.0408 0.0568 -0.0555 194 LEU 42 HD21 0.0228 0.0938 0.0251 195 LEU 42 HD22 0.0158 0.0771 0.0340 196 LEU 42 HD23 0.0072 0.0552 0.0443 197 HIS 43 N -0.0083 0.0085 -0.0056 198 HIS 43 CA -0.0074 0.0043 -0.0042 199 HIS 43 C -0.0085 -0.0021 0.0010 200 HIS 43 O -0.0054 -0.0071 0.0001 201 HIS 43 CB -0.0017 0.0018 -0.0096 202 HIS 43 CG 0.0001 0.0077 -0.0153 203 HIS 43 ND1 -0.0008 0.0116 -0.0166 204 HIS 43 CD2 0.0030 0.0101 -0.0202 205 HIS 43 CE1 0.0014 0.0162 -0.0219 206 HIS 43 NE2 0.0037 0.0154 -0.0243 207 HIS 43 H -0.0065 0.0063 -0.0063 208 HIS 43 HA -0.0100 0.0073 -0.0027 209 HIS 43 HB2 0.0009 -0.0021 -0.0104 210 HIS 43 HB3 -0.0015 -0.0007 -0.0083 211 HIS 43 HD1 -0.0029 0.0113 -0.0138 212 HIS 43 HD2 0.0044 0.0082 -0.0209 213 HIS 43 HE1 0.0014 0.0199 -0.0241 214 HIS 43 HE2 0.0050 0.0189 -0.0278 215 ARG 44 N -0.0040 -0.0137 0.0089 216 ARG 44 CA -0.0011 -0.0070 0.0034 217 ARG 44 C -0.0005 -0.0064 0.0023 218 ARG 44 O -0.0011 -0.0128 0.0028 219 ARG 44 CB 0.0027 -0.0095 -0.0047 220 ARG 44 CG 0.0027 -0.0129 -0.0051 221 ARG 44 CD 0.0066 -0.0160 -0.0134 222 ARG 44 NE 0.0068 -0.0198 -0.0142 223 ARG 44 CZ 0.0100 -0.0221 -0.0211 224 ARG 44 NH1 0.0133 -0.0211 -0.0278 225 ARG 44 NH2 0.0100 -0.0254 -0.0214 226 ARG 44 H -0.0040 -0.0196 0.0081 227 ARG 44 HA -0.0016 -0.0008 0.0051 228 ARG 44 HB2 0.0037 -0.0143 -0.0072 229 ARG 44 HB3 0.0047 -0.0038 -0.0083 230 ARG 44 HG2 0.0021 -0.0077 -0.0033 231 ARG 44 HG3 0.0005 -0.0182 -0.0011 232 ARG 44 HD2 0.0073 -0.0208 -0.0153 233 ARG 44 HD3 0.0087 -0.0104 -0.0171 234 ARG 44 HE 0.0043 -0.0208 -0.0092 235 ARG 44 HH11 0.0134 -0.0186 -0.0279 236 ARG 44 HH12 0.0157 -0.0227 -0.0331 237 ARG 44 HH21 0.0076 -0.0264 -0.0165 238 ARG 44 HH22 0.0124 -0.0271 -0.0265 239 CYS 45 N -0.0001 -0.0116 0.0069 240 CYS 45 CA 0.0009 -0.0094 0.0070 241 CYS 45 C 0.0039 -0.0096 0.0059 242 CYS 45 O 0.0052 -0.0092 0.0056 243 CYS 45 CB 0.0002 -0.0064 0.0079 244 CYS 45 SG 0.0019 -0.0036 0.0080 245 CYS 45 H -0.0000 -0.0114 0.0069 246 CYS 45 HA 0.0001 -0.0099 0.0072 247 CYS 45 HB2 -0.0019 -0.0064 0.0087 248 CYS 45 HB3 0.0006 -0.0062 0.0079 249 LEU 46 N 0.0115 -0.0102 -0.0003 250 LEU 46 CA 0.0158 -0.0117 0.0083 251 LEU 46 C 0.0166 -0.0131 0.0105 252 LEU 46 O 0.0179 -0.0186 0.0161 253 LEU 46 CB 0.0202 -0.0043 0.0118 254 LEU 46 CG 0.0199 -0.0028 0.0104 255 LEU 46 CD1 0.0244 0.0051 0.0137 256 LEU 46 CD2 0.0194 -0.0107 0.0141 257 LEU 46 H 0.0119 -0.0046 -0.0028 258 LEU 46 HA 0.0151 -0.0176 0.0106 259 LEU 46 HB2 0.0208 0.0015 0.0094 260 LEU 46 HB3 0.0234 -0.0055 0.0181 261 LEU 46 HG 0.0167 -0.0019 0.0042 262 LEU 46 HD11 0.0245 0.0107 0.0106 263 LEU 46 HD12 0.0241 0.0059 0.0128 264 LEU 46 HD13 0.0276 0.0044 0.0199 265 LEU 46 HD21 0.0160 -0.0162 0.0113 266 LEU 46 HD22 0.0225 -0.0121 0.0203 267 LEU 46 HD23 0.0193 -0.0093 0.0131 268 ALA 47 N 0.0148 -0.0137 -0.0032 269 ALA 47 CA 0.0176 -0.0084 -0.0030 270 ALA 47 C 0.0195 -0.0038 -0.0022 271 ALA 47 O 0.0226 0.0005 -0.0031 272 ALA 47 CB 0.0152 -0.0067 0.0011 273 ALA 47 H 0.0117 -0.0154 -0.0006 274 ALA 47 HA 0.0202 -0.0089 -0.0064 275 ALA 47 HB1 0.0173 -0.0028 0.0011 276 ALA 47 HB2 0.0126 -0.0060 0.0046 277 ALA 47 HB3 0.0138 -0.0099 0.0005 278 CYS 48 N 0.0181 -0.0006 0.0077 279 CYS 48 CA 0.0148 0.0000 0.0082 280 CYS 48 C 0.0153 -0.0057 0.0098 281 CYS 48 O 0.0137 -0.0055 0.0101 282 CYS 48 CB 0.0079 0.0024 0.0090 283 CYS 48 SG 0.0073 0.0097 0.0070 284 CYS 48 H 0.0168 -0.0034 0.0088 285 CYS 48 HA 0.0171 0.0035 0.0067 286 CYS 48 HB2 0.0050 0.0001 0.0103 287 CYS 48 HB3 0.0057 0.0028 0.0094 288 ALA 49 N 0.0194 0.0045 0.0116 289 ALA 49 CA 0.0235 -0.0069 0.0036 290 ALA 49 C 0.0156 -0.0071 0.0091 291 ALA 49 O 0.0202 -0.0118 0.0038 292 ALA 49 CB 0.0397 -0.0027 -0.0059 293 ALA 49 H 0.0153 0.0003 0.0126 294 ALA 49 HA 0.0204 -0.0185 0.0007 295 ALA 49 HB1 0.0430 0.0089 -0.0031 296 ALA 49 HB2 0.0450 -0.0027 -0.0096 297 ALA 49 HB3 0.0426 -0.0115 -0.0118 298 ARG 50 N -0.0046 -0.0013 0.0126 299 ARG 50 CA -0.0055 -0.0026 0.0110 300 ARG 50 C -0.0053 -0.0014 0.0101 301 ARG 50 O -0.0046 0.0005 0.0097 302 ARG 50 CB -0.0061 -0.0031 0.0092 303 ARG 50 CG -0.0065 -0.0044 0.0100 304 ARG 50 CD -0.0071 -0.0048 0.0080 305 ARG 50 NE -0.0074 -0.0061 0.0087 306 ARG 50 CZ -0.0079 -0.0065 0.0074 307 ARG 50 NH1 -0.0082 -0.0059 0.0052 308 ARG 50 NH2 -0.0082 -0.0076 0.0082 309 ARG 50 H -0.0043 -0.0000 0.0121 310 ARG 50 HA -0.0059 -0.0040 0.0119 311 ARG 50 HB2 -0.0058 -0.0016 0.0083 312 ARG 50 HB3 -0.0068 -0.0039 0.0080 313 ARG 50 HG2 -0.0069 -0.0059 0.0108 314 ARG 50 HG3 -0.0059 -0.0035 0.0111 315 ARG 50 HD2 -0.0067 -0.0033 0.0072 316 ARG 50 HD3 -0.0077 -0.0057 0.0069 317 ARG 50 HE -0.0072 -0.0065 0.0103 318 ARG 50 HH11 -0.0081 -0.0051 0.0045 319 ARG 50 HH12 -0.0086 -0.0063 0.0041 320 ARG 50 HH21 -0.0080 -0.0081 0.0098 321 ARG 50 HH22 -0.0085 -0.0079 0.0072 322 TYR 51 N -0.0027 0.0261 -0.0098 323 TYR 51 CA -0.0066 0.0163 -0.0025 324 TYR 51 C -0.0149 0.0208 0.0075 325 TYR 51 O -0.0182 0.0301 0.0099 326 TYR 51 CB -0.0054 0.0120 -0.0032 327 TYR 51 CG 0.0029 0.0083 -0.0134 328 TYR 51 CD1 0.0069 0.0169 -0.0206 329 TYR 51 CD2 0.0066 -0.0036 -0.0158 330 TYR 51 CE1 0.0144 0.0137 -0.0298 331 TYR 51 CE2 0.0141 -0.0068 -0.0251 332 TYR 51 CZ 0.0180 0.0019 -0.0320 333 TYR 51 OH 0.0254 -0.0013 -0.0413 334 TYR 51 H -0.0034 0.0321 -0.0101 335 TYR 51 HA -0.0044 0.0088 -0.0038 336 TYR 51 HB2 -0.0078 0.0194 -0.0015 337 TYR 51 HB3 -0.0082 0.0043 0.0022 338 TYR 51 HD1 0.0041 0.0262 -0.0188 339 TYR 51 HD2 0.0036 -0.0104 -0.0103 340 TYR 51 HE1 0.0174 0.0205 -0.0353 341 TYR 51 HE2 0.0169 -0.0162 -0.0268 342 TYR 51 HH 0.0260 0.0027 -0.0429 343 PHE 52 N -0.0110 -0.0003 -0.0001 344 PHE 52 CA -0.0087 -0.0011 -0.0014 345 PHE 52 C -0.0081 0.0011 -0.0045 346 PHE 52 O -0.0101 0.0035 -0.0052 347 PHE 52 CB -0.0095 -0.0018 0.0001 348 PHE 52 CG -0.0102 -0.0040 0.0032 349 PHE 52 CD1 -0.0129 -0.0035 0.0052 350 PHE 52 CD2 -0.0081 -0.0066 0.0040 351 PHE 52 CE1 -0.0134 -0.0055 0.0080 352 PHE 52 CE2 -0.0087 -0.0086 0.0068 353 PHE 52 CZ -0.0113 -0.0081 0.0088 354 PHE 52 H -0.0130 0.0012 0.0001 355 PHE 52 HA -0.0068 -0.0028 -0.0013 356 PHE 52 HB2 -0.0114 -0.0000 -0.0001 357 PHE 52 HB3 -0.0078 -0.0023 -0.0010 358 PHE 52 HD1 -0.0145 -0.0015 0.0045 359 PHE 52 HD2 -0.0060 -0.0070 0.0025 360 PHE 52 HE1 -0.0155 -0.0051 0.0095 361 PHE 52 HE2 -0.0070 -0.0106 0.0075 362 PHE 52 HZ -0.0118 -0.0097 0.0110 363 ILE 53 N -0.0364 0.0117 -0.0043 364 ILE 53 CA -0.0200 0.0293 0.0015 365 ILE 53 C -0.0013 0.0308 0.0006 366 ILE 53 O 0.0073 0.0484 0.0070 367 ILE 53 CB -0.0085 0.0278 -0.0000 368 ILE 53 CG1 0.0036 0.0061 -0.0097 369 ILE 53 CG2 -0.0261 0.0312 0.0028 370 ILE 53 CD1 0.0161 0.0035 -0.0117 371 ILE 53 H -0.0373 0.0005 -0.0087 372 ILE 53 HA -0.0296 0.0439 0.0082 373 ILE 53 HB 0.0043 0.0406 0.0041 374 ILE 53 HG12 -0.0090 -0.0070 -0.0139 375 ILE 53 HG13 0.0161 0.0046 -0.0113 376 ILE 53 HG21 -0.0399 0.0191 -0.0010 377 ILE 53 HG22 -0.0332 0.0470 0.0097 378 ILE 53 HG23 -0.0178 0.0299 0.0016 379 ILE 53 HD11 0.0295 0.0159 -0.0078 380 ILE 53 HD12 0.0237 -0.0122 -0.0186 381 ILE 53 HD13 0.0039 0.0050 -0.0101 382 ASP 54 N 0.0027 0.0066 -0.0167 383 ASP 54 CA -0.0003 0.0104 -0.0184 384 ASP 54 C -0.0084 0.0057 -0.0098 385 ASP 54 O -0.0085 -0.0025 -0.0027 386 ASP 54 CB 0.0105 0.0084 -0.0227 387 ASP 54 CG 0.0084 0.0128 -0.0252 388 ASP 54 OD1 0.0075 0.0216 -0.0323 389 ASP 54 OD2 0.0075 0.0074 -0.0201 390 ASP 54 H 0.0029 -0.0002 -0.0110 391 ASP 54 HA -0.0044 0.0183 -0.0228 392 ASP 54 HB2 0.0163 0.0115 -0.0286 393 ASP 54 HB3 0.0145 0.0006 -0.0182 394 SER 55 N -0.0046 -0.0052 0.0039 395 SER 55 CA -0.0078 -0.0134 0.0028 396 SER 55 C -0.0054 -0.0154 0.0096 397 SER 55 O -0.0073 -0.0188 0.0078 398 SER 55 CB -0.0103 -0.0212 0.0030 399 SER 55 OG -0.0134 -0.0295 0.0022 400 SER 55 H -0.0042 -0.0057 0.0053 401 SER 55 HA -0.0104 -0.0124 -0.0034 402 SER 55 HB2 -0.0123 -0.0197 -0.0024 403 SER 55 HB3 -0.0078 -0.0217 0.0087 404 SER 55 HG -0.0117 -0.0324 0.0079 405 THR 56 N -0.0138 -0.0340 0.0124 406 THR 56 CA -0.0199 -0.0228 0.0155 407 THR 56 C -0.0183 -0.0079 0.0089 408 THR 56 O -0.0173 0.0012 0.0048 409 THR 56 CB -0.0312 -0.0230 0.0281 410 THR 56 OG1 -0.0324 -0.0375 0.0342 411 THR 56 CG2 -0.0375 -0.0128 0.0319 412 THR 56 H -0.0175 -0.0395 0.0182 413 THR 56 HA -0.0175 -0.0249 0.0135 414 THR 56 HB -0.0334 -0.0195 0.0296 415 THR 56 HG1 -0.0308 -0.0425 0.0340 416 THR 56 HG21 -0.0454 -0.0130 0.0409 417 THR 56 HG22 -0.0350 -0.0161 0.0302 418 THR 56 HG23 -0.0366 -0.0019 0.0274 419 ASN 57 N -0.0034 -0.0106 -0.0021 420 ASN 57 CA -0.0025 -0.0183 0.0024 421 ASN 57 C -0.0100 -0.0196 0.0103 422 ASN 57 O -0.0101 -0.0269 0.0154 423 ASN 57 CB 0.0007 -0.0179 -0.0008 424 ASN 57 CG 0.0094 -0.0206 -0.0069 425 ASN 57 OD1 0.0136 -0.0282 -0.0055 426 ASN 57 ND2 0.0123 -0.0147 -0.0137 427 ASN 57 H -0.0030 -0.0058 -0.0057 428 ASN 57 HA 0.0017 -0.0238 0.0024 429 ASN 57 HB2 -0.0018 -0.0112 -0.0031 430 ASN 57 HB3 -0.0011 -0.0216 0.0035 431 ASN 57 HD21 0.0089 -0.0086 -0.0148 432 ASN 57 HD22 0.0179 -0.0165 -0.0177 433 LEU 58 N -0.0074 -0.0127 0.0075 434 LEU 58 CA -0.0069 -0.0122 0.0087 435 LEU 58 C -0.0073 -0.0109 0.0093 436 LEU 58 O -0.0068 -0.0107 0.0103 437 LEU 58 CB -0.0069 -0.0121 0.0088 438 LEU 58 CG -0.0066 -0.0114 0.0100 439 LEU 58 CD1 -0.0073 -0.0100 0.0101 440 LEU 58 CD2 -0.0058 -0.0117 0.0111 441 LEU 58 H -0.0077 -0.0128 0.0068 442 LEU 58 HA -0.0063 -0.0128 0.0093 443 LEU 58 HB2 -0.0066 -0.0131 0.0086 444 LEU 58 HB3 -0.0076 -0.0117 0.0080 445 LEU 58 HG -0.0065 -0.0116 0.0100 446 LEU 58 HD11 -0.0071 -0.0095 0.0109 447 LEU 58 HD12 -0.0075 -0.0097 0.0101 448 LEU 58 HD13 -0.0079 -0.0098 0.0093 449 LEU 58 HD21 -0.0059 -0.0114 0.0112 450 LEU 58 HD22 -0.0056 -0.0112 0.0119 451 LEU 58 HD23 -0.0053 -0.0127 0.0110 452 LYS 59 N -0.0097 -0.0108 0.0154 453 LYS 59 CA -0.0056 -0.0030 0.0075 454 LYS 59 C -0.0103 -0.0099 -0.0032 455 LYS 59 O -0.0089 -0.0072 -0.0057 456 LYS 59 CB 0.0004 0.0079 0.0010 457 LYS 59 CG -0.0018 0.0052 -0.0095 458 LYS 59 CD 0.0045 0.0164 -0.0145 459 LYS 59 CE 0.0091 0.0251 -0.0223 460 LYS 59 NZ 0.0055 0.0203 -0.0351 461 LYS 59 H -0.0090 -0.0096 0.0155 462 LYS 59 HA -0.0035 -0.0001 0.0149 463 LYS 59 HB2 0.0034 0.0136 -0.0038 464 LYS 59 HB3 0.0036 0.0125 0.0091 465 LYS 59 HG2 -0.0051 -0.0008 -0.0049 466 LYS 59 HG3 -0.0047 0.0011 -0.0181 467 LYS 59 HD2 0.0075 0.0208 -0.0056 468 LYS 59 HD3 0.0027 0.0140 -0.0209 469 LYS 59 HE2 0.0108 0.0274 -0.0159 470 LYS 59 HE3 0.0136 0.0331 -0.0247 471 LYS 59 HZ1 0.0041 0.0187 -0.0418 472 LYS 59 HZ2 0.0088 0.0265 -0.0400 473 LYS 59 HZ3 0.0010 0.0125 -0.0337 474 THR 60 N -0.0069 -0.0043 0.0002 475 THR 60 CA -0.0068 -0.0053 -0.0002 476 THR 60 C -0.0042 -0.0067 0.0037 477 THR 60 O -0.0038 -0.0060 0.0048 478 THR 60 CB -0.0076 -0.0088 -0.0038 479 THR 60 OG1 -0.0100 -0.0073 -0.0074 480 THR 60 CG2 -0.0075 -0.0099 -0.0043 481 THR 60 H -0.0073 -0.0060 -0.0015 482 THR 60 HA -0.0080 -0.0024 -0.0006 483 THR 60 HB -0.0064 -0.0115 -0.0032 484 THR 60 HG1 -0.0100 -0.0073 -0.0074 485 THR 60 HG21 -0.0080 -0.0124 -0.0069 486 THR 60 HG22 -0.0086 -0.0071 -0.0048 487 THR 60 HG23 -0.0057 -0.0111 -0.0017 488 HIS 61 N -0.0079 -0.0056 0.0095 489 HIS 61 CA -0.0063 -0.0041 0.0076 490 HIS 61 C -0.0036 -0.0027 0.0053 491 HIS 61 O -0.0029 -0.0004 0.0034 492 HIS 61 CB -0.0050 -0.0064 0.0084 493 HIS 61 CG -0.0023 -0.0056 0.0064 494 HIS 61 ND1 -0.0028 -0.0030 0.0051 495 HIS 61 CD2 0.0010 -0.0068 0.0055 496 HIS 61 CE1 0.0001 -0.0028 0.0034 497 HIS 61 NE2 0.0024 -0.0050 0.0036 498 HIS 61 H -0.0077 -0.0079 0.0108 499 HIS 61 HA -0.0082 -0.0022 0.0074 500 HIS 61 HB2 -0.0070 -0.0065 0.0095 501 HIS 61 HB3 -0.0040 -0.0088 0.0094 502 HIS 61 HD1 -0.0050 -0.0016 0.0053 503 HIS 61 HD2 0.0024 -0.0089 0.0061 504 HIS 61 HE1 0.0008 -0.0011 0.0020 505 PHE 62 N -0.0051 -0.0034 0.0015 506 PHE 62 CA -0.0037 -0.0019 0.0011 507 PHE 62 C -0.0046 -0.0002 0.0004 508 PHE 62 O -0.0037 0.0012 0.0001 509 PHE 62 CB -0.0025 -0.0023 0.0014 510 PHE 62 CG -0.0017 -0.0042 0.0021 511 PHE 62 CD1 -0.0005 -0.0047 0.0024 512 PHE 62 CD2 -0.0021 -0.0053 0.0024 513 PHE 62 CE1 0.0002 -0.0064 0.0031 514 PHE 62 CE2 -0.0014 -0.0070 0.0031 515 PHE 62 CZ -0.0002 -0.0076 0.0034 516 PHE 62 H -0.0057 -0.0041 0.0017 517 PHE 62 HA -0.0027 -0.0018 0.0012 518 PHE 62 HB2 -0.0033 -0.0021 0.0012 519 PHE 62 HB3 -0.0013 -0.0014 0.0012 520 PHE 62 HD1 -0.0002 -0.0039 0.0022 521 PHE 62 HD2 -0.0030 -0.0048 0.0022 522 PHE 62 HE1 0.0011 -0.0068 0.0033 523 PHE 62 HE2 -0.0017 -0.0078 0.0034 524 PHE 62 HZ 0.0003 -0.0089 0.0039 525 ARG 63 N -0.0111 -0.0018 0.0044 526 ARG 63 CA -0.0067 -0.0091 0.0182 527 ARG 63 C 0.0011 -0.0186 0.0349 528 ARG 63 O 0.0065 -0.0257 0.0475 529 ARG 63 CB 0.0067 -0.0095 0.0096 530 ARG 63 CG -0.0024 -0.0007 -0.0042 531 ARG 63 CD 0.0114 -0.0013 -0.0127 532 ARG 63 NE 0.0183 -0.0095 0.0015 533 ARG 63 CZ 0.0281 -0.0110 -0.0020 534 ARG 63 NH1 0.0314 -0.0046 -0.0193 535 ARG 63 NH2 0.0343 -0.0189 0.0119 536 ARG 63 H -0.0025 0.0006 -0.0073 537 ARG 63 HA -0.0204 -0.0071 0.0233 538 ARG 63 HB2 0.0196 -0.0104 0.0026 539 ARG 63 HB3 0.0108 -0.0154 0.0206 540 ARG 63 HG2 -0.0150 0.0001 0.0029 541 ARG 63 HG3 -0.0067 0.0053 -0.0152 542 ARG 63 HD2 0.0041 0.0049 -0.0220 543 ARG 63 HD3 0.0237 -0.0018 -0.0203 544 ARG 63 HE 0.0156 -0.0143 0.0145 545 ARG 63 HH11 0.0266 0.0015 -0.0301 546 ARG 63 HH12 0.0388 -0.0056 -0.0223 547 ARG 63 HH21 0.0317 -0.0238 0.0251 548 ARG 63 HH22 0.0417 -0.0204 0.0100 549 SER 64 N 0.0124 0.0180 0.0109 550 SER 64 CA 0.0170 0.0280 0.0051 551 SER 64 C 0.0158 0.0189 -0.0017 552 SER 64 O 0.0164 0.0113 -0.0135 553 SER 64 CB 0.0226 0.0359 -0.0072 554 SER 64 OG 0.0232 0.0416 -0.0025 555 SER 64 H 0.0129 0.0145 0.0047 556 SER 64 HA 0.0173 0.0358 0.0138 557 SER 64 HB2 0.0226 0.0283 -0.0167 558 SER 64 HB3 0.0261 0.0447 -0.0102 559 SER 64 HG 0.0240 0.0499 0.0045 560 LYS 65 N 0.0277 0.0175 -0.0300 561 LYS 65 CA 0.0267 0.0214 -0.0265 562 LYS 65 C 0.0254 0.0201 -0.0198 563 LYS 65 O 0.0243 0.0242 -0.0161 564 LYS 65 CB 0.0272 0.0218 -0.0292 565 LYS 65 CG 0.0279 0.0156 -0.0305 566 LYS 65 CD 0.0270 0.0118 -0.0249 567 LYS 65 CE 0.0278 0.0058 -0.0264 568 LYS 65 NZ 0.0270 0.0019 -0.0210 569 LYS 65 H 0.0285 0.0149 -0.0332 570 LYS 65 HA 0.0264 0.0259 -0.0270 571 LYS 65 HB2 0.0264 0.0242 -0.0261 572 LYS 65 HB3 0.0278 0.0244 -0.0334 573 LYS 65 HG2 0.0283 0.0166 -0.0327 574 LYS 65 HG3 0.0287 0.0130 -0.0335 575 LYS 65 HD2 0.0266 0.0108 -0.0226 576 LYS 65 HD3 0.0263 0.0144 -0.0220 577 LYS 65 HE2 0.0281 0.0069 -0.0284 578 LYS 65 HE3 0.0286 0.0034 -0.0296 579 LYS 65 HZ1 0.0262 0.0040 -0.0178 580 LYS 65 HZ2 0.0267 0.0006 -0.0190 581 LYS 65 HZ3 0.0275 -0.0021 -0.0222 582 ASP 66 N 0.0207 0.0201 0.0010 583 ASP 66 CA 0.0196 0.0199 0.0009 584 ASP 66 C 0.0145 0.0234 -0.0102 585 ASP 66 O 0.0085 0.0227 -0.0110 586 ASP 66 CB 0.0313 0.0208 0.0036 587 ASP 66 CG 0.0305 0.0198 0.0057 588 ASP 66 OD1 0.0292 0.0159 0.0152 589 ASP 66 OD2 0.0314 0.0230 -0.0020 590 ASP 66 H 0.0285 0.0213 0.0010 591 ASP 66 HA 0.0138 0.0166 0.0072 592 ASP 66 HB2 0.0353 0.0187 0.0107 593 ASP 66 HB3 0.0366 0.0243 -0.0032 594 HIS 67 N 0.0110 0.0172 -0.0096 595 HIS 67 CA 0.0113 0.0160 -0.0115 596 HIS 67 C 0.0099 0.0153 -0.0118 597 HIS 67 O 0.0106 0.0150 -0.0126 598 HIS 67 CB 0.0107 0.0151 -0.0125 599 HIS 67 CG 0.0110 0.0138 -0.0144 600 HIS 67 ND1 0.0126 0.0137 -0.0152 601 HIS 67 CD2 0.0104 0.0128 -0.0154 602 HIS 67 CE1 0.0129 0.0127 -0.0168 603 HIS 67 NE2 0.0116 0.0121 -0.0170 604 HIS 67 H 0.0105 0.0173 -0.0092 605 HIS 67 HA 0.0128 0.0161 -0.0120 606 HIS 67 HB2 0.0117 0.0154 -0.0124 607 HIS 67 HB3 0.0092 0.0148 -0.0121 608 HIS 67 HD1 0.0134 0.0142 -0.0148 609 HIS 67 HD2 0.0089 0.0126 -0.0151 610 HIS 67 HE1 0.0140 0.0123 -0.0179 611 LYS 68 N 0.0005 0.0075 -0.0147 612 LYS 68 CA -0.0030 0.0042 -0.0156 613 LYS 68 C -0.0051 0.0018 -0.0155 614 LYS 68 O -0.0082 -0.0002 -0.0178 615 LYS 68 CB -0.0030 0.0024 -0.0123 616 LYS 68 CG -0.0006 0.0050 -0.0122 617 LYS 68 CD -0.0007 0.0030 -0.0087 618 LYS 68 CE 0.0006 0.0019 -0.0040 619 LYS 68 NZ 0.0008 0.0002 -0.0005 620 LYS 68 H 0.0023 0.0079 -0.0118 621 LYS 68 HA -0.0039 0.0050 -0.0189 622 LYS 68 HB2 -0.0022 0.0015 -0.0090 623 LYS 68 HB3 -0.0056 0.0000 -0.0131 624 LYS 68 HG2 -0.0010 0.0063 -0.0154 625 LYS 68 HG3 0.0020 0.0073 -0.0113 626 LYS 68 HD2 -0.0033 0.0006 -0.0094 627 LYS 68 HD3 0.0010 0.0048 -0.0087 628 LYS 68 HE2 0.0032 0.0043 -0.0033 629 LYS 68 HE3 -0.0011 -0.0000 -0.0038 630 LYS 68 HZ1 -0.0017 -0.0022 -0.0010 631 LYS 68 HZ2 0.0017 -0.0005 0.0026 632 LYS 68 HZ3 0.0024 0.0020 -0.0006 633 LYS 69 N -0.0077 0.0158 -0.0146 634 LYS 69 CA -0.0112 0.0120 -0.0118 635 LYS 69 C -0.0158 0.0134 -0.0103 636 LYS 69 O -0.0202 0.0134 -0.0084 637 LYS 69 CB -0.0084 0.0068 -0.0111 638 LYS 69 CG -0.0114 0.0025 -0.0083 639 LYS 69 CD -0.0078 -0.0020 -0.0082 640 LYS 69 CE -0.0101 -0.0067 -0.0056 641 LYS 69 NZ -0.0062 -0.0107 -0.0058 642 LYS 69 H -0.0042 0.0144 -0.0156 643 LYS 69 HA -0.0124 0.0119 -0.0112 644 LYS 69 HB2 -0.0058 0.0056 -0.0118 645 LYS 69 HB3 -0.0061 0.0074 -0.0123 646 LYS 69 HG2 -0.0142 0.0040 -0.0077 647 LYS 69 HG3 -0.0133 0.0015 -0.0071 648 LYS 69 HD2 -0.0051 -0.0032 -0.0089 649 LYS 69 HD3 -0.0057 -0.0007 -0.0096 650 LYS 69 HE2 -0.0130 -0.0055 -0.0048 651 LYS 69 HE3 -0.0119 -0.0083 -0.0042 652 LYS 69 HZ1 -0.0076 -0.0140 -0.0040 653 LYS 69 HZ2 -0.0043 -0.0091 -0.0072 654 LYS 69 HZ3 -0.0034 -0.0118 -0.0066 655 ARG 70 N -0.0209 0.0125 0.0018 656 ARG 70 CA -0.0151 0.0110 -0.0016 657 ARG 70 C -0.0173 0.0064 -0.0057 658 ARG 70 O -0.0142 0.0055 -0.0076 659 ARG 70 CB -0.0104 0.0103 -0.0039 660 ARG 70 CG -0.0038 0.0093 -0.0072 661 ARG 70 CD -0.0001 0.0135 -0.0041 662 ARG 70 NE 0.0061 0.0125 -0.0071 663 ARG 70 CZ 0.0088 0.0142 -0.0063 664 ARG 70 NH1 0.0059 0.0170 -0.0024 665 ARG 70 NH2 0.0145 0.0132 -0.0093 666 ARG 70 H -0.0217 0.0122 0.0019 667 ARG 70 HA -0.0126 0.0139 0.0006 668 ARG 70 HB2 -0.0095 0.0134 -0.0010 669 ARG 70 HB3 -0.0129 0.0072 -0.0063 670 ARG 70 HG2 -0.0007 0.0090 -0.0086 671 ARG 70 HG3 -0.0048 0.0060 -0.0103 672 ARG 70 HD2 -0.0032 0.0139 -0.0026 673 ARG 70 HD3 0.0011 0.0168 -0.0010 674 ARG 70 HE 0.0083 0.0105 -0.0100 675 ARG 70 HH11 0.0016 0.0179 -0.0000 676 ARG 70 HH12 0.0078 0.0183 -0.0017 677 ARG 70 HH21 0.0168 0.0111 -0.0122 678 ARG 70 HH22 0.0167 0.0144 -0.0088 679 LEU 71 N -0.0104 -0.0074 -0.0028 680 LEU 71 CA -0.0108 -0.0065 -0.0030 681 LEU 71 C -0.0116 -0.0076 -0.0031 682 LEU 71 O -0.0127 -0.0072 -0.0034 683 LEU 71 CB -0.0094 -0.0058 -0.0027 684 LEU 71 CG -0.0084 -0.0047 -0.0026 685 LEU 71 CD1 -0.0071 -0.0040 -0.0024 686 LEU 71 CD2 -0.0094 -0.0034 -0.0030 687 LEU 71 H -0.0093 -0.0075 -0.0025 688 LEU 71 HA -0.0115 -0.0056 -0.0033 689 LEU 71 HB2 -0.0087 -0.0067 -0.0024 690 LEU 71 HB3 -0.0098 -0.0052 -0.0029 691 LEU 71 HG -0.0079 -0.0053 -0.0024 692 LEU 71 HD11 -0.0076 -0.0033 -0.0026 693 LEU 71 HD12 -0.0064 -0.0049 -0.0021 694 LEU 71 HD13 -0.0064 -0.0032 -0.0023 695 LEU 71 HD21 -0.0102 -0.0039 -0.0032 696 LEU 71 HD22 -0.0099 -0.0027 -0.0033 697 LEU 71 HD23 -0.0086 -0.0026 -0.0029 698 LYS 72 N -0.0211 -0.0076 -0.0046 699 LYS 72 CA -0.0194 -0.0044 -0.0045 700 LYS 72 C -0.0188 -0.0046 -0.0015 701 LYS 72 O -0.0171 -0.0024 0.0005 702 LYS 72 CB -0.0197 -0.0032 -0.0083 703 LYS 72 CG -0.0180 0.0003 -0.0085 704 LYS 72 CD -0.0184 0.0013 -0.0124 705 LYS 72 CE -0.0167 0.0048 -0.0127 706 LYS 72 NZ -0.0171 0.0059 -0.0165 707 LYS 72 H -0.0223 -0.0087 -0.0068 708 LYS 72 HA -0.0183 -0.0026 -0.0038 709 LYS 72 HB2 -0.0202 -0.0030 -0.0103 710 LYS 72 HB3 -0.0209 -0.0050 -0.0089 711 LYS 72 HG2 -0.0176 0.0001 -0.0067 712 LYS 72 HG3 -0.0169 0.0021 -0.0077 713 LYS 72 HD2 -0.0189 0.0014 -0.0142 714 LYS 72 HD3 -0.0196 -0.0005 -0.0131 715 LYS 72 HE2 -0.0164 0.0046 -0.0109 716 LYS 72 HE3 -0.0156 0.0065 -0.0118 717 LYS 72 HZ1 -0.0182 0.0043 -0.0174 718 LYS 72 HZ2 -0.0175 0.0061 -0.0182 719 LYS 72 HZ3 -0.0159 0.0083 -0.0166 720 GLN 73 N -0.0417 -0.0034 0.0011 721 GLN 73 CA -0.0331 -0.0013 0.0034 722 GLN 73 C -0.0298 -0.0056 -0.0103 723 GLN 73 O -0.0306 -0.0059 -0.0108 724 GLN 73 CB -0.0187 0.0033 0.0100 725 GLN 73 CG -0.0206 0.0080 0.0242 726 GLN 73 CD -0.0062 0.0123 0.0301 727 GLN 73 OE1 0.0046 0.0112 0.0223 728 GLN 73 NE2 -0.0057 0.0172 0.0437 729 GLN 73 H -0.0373 -0.0023 0.0023 730 GLN 73 HA -0.0394 0.0003 0.0105 731 GLN 73 HB2 -0.0126 0.0018 0.0030 732 GLN 73 HB3 -0.0124 0.0047 0.0113 733 GLN 73 HG2 -0.0262 0.0097 0.0314 734 GLN 73 HG3 -0.0272 0.0066 0.0231 735 GLN 73 HE21 -0.0146 0.0177 0.0492 736 GLN 73 HE22 0.0033 0.0201 0.0481 737 LEU 74 N -0.0120 -0.0044 0.0042 738 LEU 74 CA -0.0072 -0.0111 0.0016 739 LEU 74 C -0.0078 -0.0177 0.0007 740 LEU 74 O -0.0031 -0.0231 -0.0017 741 LEU 74 CB -0.0094 -0.0144 0.0017 742 LEU 74 CG -0.0043 -0.0210 -0.0010 743 LEU 74 CD1 0.0041 -0.0179 -0.0031 744 LEU 74 CD2 -0.0074 -0.0237 -0.0004 745 LEU 74 H -0.0170 -0.0039 0.0059 746 LEU 74 HA -0.0013 -0.0088 0.0001 747 LEU 74 HB2 -0.0096 -0.0095 0.0026 748 LEU 74 HB3 -0.0152 -0.0169 0.0031 749 LEU 74 HG -0.0046 -0.0261 -0.0017 750 LEU 74 HD11 0.0075 -0.0226 -0.0049 751 LEU 74 HD12 0.0046 -0.0127 -0.0024 752 LEU 74 HD13 0.0064 -0.0164 -0.0036 753 LEU 74 HD21 -0.0072 -0.0186 0.0003 754 LEU 74 HD22 -0.0038 -0.0283 -0.0023 755 LEU 74 HD23 -0.0133 -0.0261 0.0010 756 SER 75 N -0.0222 -0.0235 0.0151 757 SER 75 CA -0.0154 -0.0160 0.0176 758 SER 75 C -0.0168 -0.0191 0.0206 759 SER 75 O -0.0117 -0.0149 0.0258 760 SER 75 CB -0.0089 -0.0116 0.0264 761 SER 75 OG -0.0022 -0.0040 0.0285 762 SER 75 H -0.0249 -0.0235 0.0075 763 SER 75 HA -0.0142 -0.0110 0.0101 764 SER 75 HB2 -0.0082 -0.0095 0.0237 765 SER 75 HB3 -0.0102 -0.0166 0.0338 766 SER 75 HG 0.0016 0.0007 0.0287 767 VAL 76 N -0.0025 -0.0216 0.0131 768 VAL 76 CA -0.0021 -0.0204 0.0156 769 VAL 76 C 0.0015 -0.0195 0.0154 770 VAL 76 O 0.0031 -0.0181 0.0176 771 VAL 76 CB -0.0043 -0.0211 0.0153 772 VAL 76 CG1 -0.0038 -0.0199 0.0178 773 VAL 76 CG2 -0.0078 -0.0220 0.0155 774 VAL 76 H -0.0039 -0.0227 0.0115 775 VAL 76 HA -0.0027 -0.0196 0.0178 776 VAL 76 HB -0.0036 -0.0219 0.0131 777 VAL 76 HG11 -0.0054 -0.0204 0.0176 778 VAL 76 HG12 -0.0044 -0.0190 0.0201 779 VAL 76 HG13 -0.0013 -0.0193 0.0176 780 VAL 76 HG21 -0.0094 -0.0225 0.0153 781 VAL 76 HG22 -0.0082 -0.0229 0.0137 782 VAL 76 HG23 -0.0085 -0.0212 0.0178 783 GLU 77 N 0.0026 -0.0133 0.0150 784 GLU 77 CA 0.0079 -0.0095 0.0117 785 GLU 77 C 0.0102 -0.0098 0.0052 786 GLU 77 O 0.0089 -0.0130 -0.0002 787 GLU 77 CB 0.0082 -0.0098 0.0102 788 GLU 77 CG 0.0041 -0.0150 0.0063 789 GLU 77 CD 0.0048 -0.0150 0.0046 790 GLU 77 OE1 0.0033 -0.0147 0.0092 791 GLU 77 OE2 0.0069 -0.0152 -0.0015 792 GLU 77 H 0.0002 -0.0165 0.0120 793 GLU 77 HA 0.0103 -0.0060 0.0154 794 GLU 77 HB2 0.0121 -0.0074 0.0070 795 GLU 77 HB3 0.0077 -0.0086 0.0149 796 GLU 77 HG2 0.0001 -0.0176 0.0094 797 GLU 77 HG3 0.0046 -0.0163 0.0015 798 PRO 78 N 0.0068 -0.0038 0.0125 799 PRO 78 CA 0.0098 -0.0049 0.0071 800 PRO 78 C 0.0176 -0.0002 -0.0029 801 PRO 78 O 0.0208 0.0097 -0.0028 802 PRO 78 CB 0.0077 0.0026 0.0145 803 PRO 78 CG 0.0020 0.0044 0.0246 804 PRO 78 CD 0.0034 0.0042 0.0223 805 PRO 78 HA 0.0078 -0.0137 0.0055 806 PRO 78 HB2 0.0121 0.0107 0.0118 807 PRO 78 HB3 0.0060 -0.0018 0.0148 808 PRO 78 HG2 0.0020 0.0126 0.0291 809 PRO 78 HG3 -0.0029 -0.0025 0.0288 810 PRO 78 HD2 0.0068 0.0126 0.0214 811 PRO 78 HD3 -0.0014 0.0009 0.0282 812 TYR 79 N 0.0179 -0.0154 0.0023 813 TYR 79 CA 0.0420 -0.0093 -0.0222 814 TYR 79 C 0.0630 -0.0006 -0.0449 815 TYR 79 O 0.0605 0.0298 -0.0565 816 TYR 79 CB 0.0331 0.0178 -0.0264 817 TYR 79 CG 0.0158 0.0067 -0.0059 818 TYR 79 CD1 -0.0135 0.0147 0.0169 819 TYR 79 CD2 0.0290 -0.0121 -0.0092 820 TYR 79 CE1 -0.0292 0.0043 0.0356 821 TYR 79 CE2 0.0135 -0.0226 0.0095 822 TYR 79 CZ -0.0157 -0.0144 0.0319 823 TYR 79 OH -0.0314 -0.0251 0.0509 824 TYR 79 H 0.0162 -0.0393 0.0146 825 TYR 79 HA 0.0529 -0.0343 -0.0207 826 TYR 79 HB2 0.0205 0.0422 -0.0261 827 TYR 79 HB3 0.0521 0.0215 -0.0451 828 TYR 79 HD1 -0.0241 0.0294 0.0197 829 TYR 79 HD2 0.0519 -0.0185 -0.0269 830 TYR 79 HE1 -0.0521 0.0109 0.0532 831 TYR 79 HE2 0.0242 -0.0372 0.0065 832 TYR 79 HH -0.0217 -0.0494 0.0532 833 SER 80 N 0.0065 -0.0042 -0.0124 834 SER 80 CA 0.0014 -0.0073 -0.0093 835 SER 80 C -0.0051 -0.0065 -0.0082 836 SER 80 O -0.0049 -0.0046 -0.0094 837 SER 80 CB -0.0002 -0.0046 -0.0105 838 SER 80 OG -0.0049 -0.0077 -0.0076 839 SER 80 H 0.0060 0.0002 -0.0149 840 SER 80 HA 0.0032 -0.0120 -0.0069 841 SER 80 HB2 0.0045 -0.0049 -0.0115 842 SER 80 HB3 -0.0023 0.0001 -0.0129 843 SER 80 HG -0.0022 -0.0113 -0.0060 844 GLN 81 N -0.0244 -0.0040 0.0008 845 GLN 81 CA -0.0233 -0.0040 0.0024 846 GLN 81 C -0.0229 -0.0047 0.0035 847 GLN 81 O -0.0231 -0.0045 0.0029 848 GLN 81 CB -0.0225 -0.0022 0.0027 849 GLN 81 CG -0.0214 -0.0022 0.0043 850 GLN 81 CD -0.0205 -0.0004 0.0046 851 GLN 81 OE1 -0.0204 0.0009 0.0040 852 GLN 81 NE2 -0.0198 -0.0002 0.0056 853 GLN 81 H -0.0245 -0.0029 0.0001 854 GLN 81 HA -0.0234 -0.0049 0.0027 855 GLN 81 HB2 -0.0228 -0.0016 0.0018 856 GLN 81 HB3 -0.0223 -0.0014 0.0025 857 GLN 81 HG2 -0.0210 -0.0028 0.0052 858 GLN 81 HG3 -0.0216 -0.0029 0.0044 859 GLN 81 HE21 -0.0199 -0.0013 0.0060 860 GLN 81 HE22 -0.0192 0.0009 0.0058 861 GLU 82 N -0.0267 0.0067 -0.0039 862 GLU 82 CA -0.0231 -0.0006 0.0021 863 GLU 82 C -0.0337 0.0021 0.0134 864 GLU 82 O -0.0329 -0.0026 0.0196 865 GLU 82 CB -0.0127 -0.0132 0.0065 866 GLU 82 CG -0.0080 -0.0215 0.0124 867 GLU 82 CD 0.0024 -0.0334 0.0156 868 GLU 82 OE1 0.0007 -0.0385 0.0260 869 GLU 82 OE2 0.0124 -0.0378 0.0078 870 GLU 82 H -0.0278 0.0133 -0.0125 871 GLU 82 HA -0.0203 0.0019 -0.0059 872 GLU 82 HB2 -0.0055 -0.0144 -0.0022 873 GLU 82 HB3 -0.0155 -0.0154 0.0139 874 GLU 82 HG2 -0.0148 -0.0210 0.0215 875 GLU 82 HG3 -0.0053 -0.0193 0.0051 876 GLU 83 N -0.0230 0.0027 0.0028 877 GLU 83 CA -0.0150 0.0056 -0.0009 878 GLU 83 C -0.0124 -0.0044 0.0013 879 GLU 83 O -0.0147 -0.0032 0.0017 880 GLU 83 CB -0.0044 0.0091 -0.0057 881 GLU 83 CG 0.0047 0.0123 -0.0099 882 GLU 83 CD 0.0143 0.0169 -0.0147 883 GLU 83 OE1 0.0213 0.0102 -0.0151 884 GLU 83 OE2 0.0150 0.0274 -0.0182 885 GLU 83 H -0.0216 -0.0044 0.0045 886 GLU 83 HA -0.0189 0.0128 -0.0018 887 GLU 83 HB2 -0.0067 0.0163 -0.0072 888 GLU 83 HB3 -0.0008 0.0021 -0.0048 889 GLU 83 HG2 0.0079 0.0048 -0.0087 890 GLU 83 HG3 0.0010 0.0188 -0.0106 891 ALA 84 N -0.0049 0.0037 -0.0113 892 ALA 84 CA -0.0014 -0.0057 -0.0085 893 ALA 84 C -0.0115 -0.0142 -0.0030 894 ALA 84 O -0.0096 -0.0243 0.0004 895 ALA 84 CB 0.0106 -0.0119 -0.0088 896 ALA 84 H -0.0036 0.0022 -0.0111 897 ALA 84 HA -0.0007 -0.0018 -0.0102 898 ALA 84 HB1 0.0129 -0.0190 -0.0066 899 ALA 84 HB2 0.0100 -0.0155 -0.0073 900 ALA 84 HB3 0.0176 -0.0058 -0.0126 901 GLU 85 N -0.0198 -0.0030 0.0043 902 GLU 85 CA -0.0197 -0.0020 0.0080 903 GLU 85 C -0.0202 0.0001 0.0094 904 GLU 85 O -0.0211 0.0033 0.0087 905 GLU 85 CB -0.0204 0.0003 0.0079 906 GLU 85 CG -0.0202 0.0010 0.0116 907 GLU 85 CD -0.0207 0.0036 0.0142 908 GLU 85 OE1 -0.0216 0.0070 0.0139 909 GLU 85 OE2 -0.0202 0.0025 0.0165 910 GLU 85 H -0.0201 -0.0020 0.0035 911 GLU 85 HA -0.0190 -0.0044 0.0096 912 GLU 85 HB2 -0.0202 -0.0010 0.0060 913 GLU 85 HB3 -0.0211 0.0029 0.0067 914 GLU 85 HG2 -0.0194 -0.0017 0.0127 915 GLU 85 HG3 -0.0204 0.0017 0.0112 916 ARG 86 N -0.0066 0.0062 0.0017 917 ARG 86 CA -0.0063 0.0022 -0.0020 918 ARG 86 C -0.0028 0.0027 -0.0056 919 ARG 86 O 0.0001 0.0063 -0.0061 920 ARG 86 CB -0.0066 0.0002 -0.0034 921 ARG 86 CG -0.0042 0.0035 -0.0033 922 ARG 86 CD 0.0001 0.0058 -0.0064 923 ARG 86 NE 0.0022 0.0092 -0.0059 924 ARG 86 CZ 0.0058 0.0123 -0.0076 925 ARG 86 NH1 0.0080 0.0124 -0.0101 926 ARG 86 NH2 0.0073 0.0154 -0.0067 927 ARG 86 H -0.0044 0.0090 0.0016 928 ARG 86 HA -0.0087 -0.0002 -0.0011 929 ARG 86 HB2 -0.0057 -0.0023 -0.0065 930 ARG 86 HB3 -0.0095 -0.0015 -0.0013 931 ARG 86 HG2 -0.0048 0.0018 -0.0041 932 ARG 86 HG3 -0.0050 0.0061 -0.0002 933 ARG 86 HD2 0.0008 0.0073 -0.0059 934 ARG 86 HD3 0.0010 0.0033 -0.0096 935 ARG 86 HE 0.0006 0.0091 -0.0042 936 ARG 86 HH11 0.0071 0.0102 -0.0109 937 ARG 86 HH12 0.0108 0.0148 -0.0114 938 ARG 86 HH21 0.0057 0.0154 -0.0049 939 ARG 86 HH22 0.0100 0.0178 -0.0079 940 ALA 87 N 0.1041 -0.0412 -0.0409 941 ALA 87 CA 0.0374 -0.0382 -0.0019 942 ALA 87 C 0.0191 0.0182 -0.0092 943 ALA 87 O -0.0322 0.0568 0.0091 944 ALA 87 CB -0.0000 -0.0204 0.0148 945 ALA 87 H 0.1162 -0.0042 -0.0601 946 ALA 87 HA 0.0292 -0.0885 0.0192 947 ALA 87 HB1 0.0094 0.0292 -0.0069 948 ALA 87 HB2 0.0135 -0.0607 0.0197 949 ALA 87 HB3 -0.0497 -0.0166 0.0433 950 ALA 88 N 0.0070 -0.0017 0.0194 951 ALA 88 CA 0.0013 0.0239 0.0227 952 ALA 88 C -0.0056 0.0167 0.0243 953 ALA 88 O 0.0122 0.0171 0.0191 954 ALA 88 CB 0.0253 0.0452 0.0170 955 ALA 88 H 0.0194 -0.0153 0.0149 956 ALA 88 HA -0.0166 0.0334 0.0286 957 ALA 88 HB1 0.0432 0.0361 0.0111 958 ALA 88 HB2 0.0298 0.0499 0.0159 959 ALA 88 HB3 0.0198 0.0646 0.0198 960 GLY 89 N 0.0037 0.0126 0.0066 961 GLY 89 CA -0.0003 0.0162 0.0056 962 GLY 89 C -0.0068 0.0161 0.0019 963 GLY 89 O -0.0086 0.0182 0.0016 964 GLY 89 H 0.0024 0.0094 0.0046 965 GLY 89 HA2 0.0004 0.0211 0.0080 966 GLY 89 HA3 0.0005 0.0141 0.0053 967 MET 90 N 0.0077 0.0024 0.0237 968 MET 90 CA 0.0026 0.0029 0.0127 969 MET 90 C -0.0017 0.0118 0.0117 970 MET 90 O -0.0010 0.0107 0.0120 971 MET 90 CB 0.0043 -0.0079 0.0066 972 MET 90 CG -0.0006 -0.0090 -0.0054 973 MET 90 SD -0.0068 -0.0001 -0.0107 974 MET 90 CE -0.0111 -0.0046 -0.0244 975 MET 90 H 0.0084 0.0036 0.0263 976 MET 90 HA 0.0003 0.0049 0.0096 977 MET 90 HB2 0.0078 -0.0140 0.0086 978 MET 90 HB3 0.0061 -0.0093 0.0093 979 MET 90 HG2 -0.0024 -0.0076 -0.0081 980 MET 90 HG3 0.0013 -0.0170 -0.0085 981 MET 90 HE1 -0.0124 -0.0038 -0.0266 982 MET 90 HE2 -0.0149 0.0001 -0.0286 983 MET 90 HE3 -0.0084 -0.0128 -0.0261 984 GLY 91 N -0.0142 0.0382 -0.0158 985 GLY 91 CA -0.0047 -0.0021 0.0023 986 GLY 91 C 0.0065 -0.0365 0.0593 987 GLY 91 O 0.0176 -0.0923 0.0568 988 GLY 91 H -0.0114 0.0205 -0.0257 989 GLY 91 HA2 -0.0094 0.0248 0.0123 990 GLY 91 HA3 -0.0008 -0.0347 -0.0353 991 SER 92 N 0.0134 0.0002 -0.0098 992 SER 92 CA -0.0030 -0.0131 -0.0017 993 SER 92 C -0.0117 -0.0036 0.0237 994 SER 92 O -0.0034 0.0132 0.0322 995 SER 92 CB 0.0016 -0.0174 -0.0141 996 SER 92 OG 0.0098 -0.0263 -0.0380 997 SER 92 H 0.0237 0.0139 -0.0083 998 SER 92 HA -0.0125 -0.0277 -0.0056 999 SER 92 HB2 0.0111 -0.0030 -0.0104 1000 SER 92 HB3 -0.0109 -0.0282 -0.0087 1001 SER 92 HG 0.0127 -0.0246 -0.0402 1002 TYR 93 N 0.0042 -0.0157 -0.0023 1003 TYR 93 CA -0.0022 -0.0115 -0.0028 1004 TYR 93 C -0.0092 -0.0145 -0.0064 1005 TYR 93 O -0.0087 -0.0182 -0.0077 1006 TYR 93 CB -0.0022 -0.0032 0.0004 1007 TYR 93 CG -0.0079 0.0021 0.0006 1008 TYR 93 CD1 -0.0062 0.0050 0.0023 1009 TYR 93 CD2 -0.0150 0.0042 -0.0010 1010 TYR 93 CE1 -0.0114 0.0098 0.0024 1011 TYR 93 CE2 -0.0202 0.0090 -0.0009 1012 TYR 93 CZ -0.0184 0.0118 0.0008 1013 TYR 93 OH -0.0236 0.0165 0.0009 1014 TYR 93 H 0.0049 -0.0151 -0.0019 1015 TYR 93 HA -0.0018 -0.0122 -0.0030 1016 TYR 93 HB2 0.0033 -0.0016 0.0029 1017 TYR 93 HB3 -0.0032 -0.0025 0.0003 1018 TYR 93 HD1 -0.0007 0.0034 0.0035 1019 TYR 93 HD2 -0.0165 0.0020 -0.0024 1020 TYR 93 HE1 -0.0099 0.0120 0.0038 1021 TYR 93 HE2 -0.0258 0.0106 -0.0022 1022 TYR 93 HH -0.0282 0.0142 -0.0015 1023 VAL 94 N 0.0279 0.0050 -0.0001 1024 VAL 94 CA 0.0222 0.0015 -0.0004 1025 VAL 94 C 0.0212 0.0015 -0.0003 1026 VAL 94 O 0.0198 0.0064 0.0009 1027 VAL 94 CB 0.0162 0.0035 0.0006 1028 VAL 94 CG1 0.0148 0.0103 0.0022 1029 VAL 94 CG2 0.0104 -0.0005 0.0002 1030 VAL 94 H 0.0275 0.0086 0.0007 1031 VAL 94 HA 0.0232 -0.0033 -0.0016 1032 VAL 94 HB 0.0171 0.0027 0.0003 1033 VAL 94 HG11 0.0106 0.0114 0.0029 1034 VAL 94 HG12 0.0140 0.0113 0.0025 1035 VAL 94 HG13 0.0187 0.0131 0.0025 1036 VAL 94 HG21 0.0096 -0.0001 0.0004 1037 VAL 94 HG22 0.0063 0.0009 0.0009 1038 VAL 94 HG23 0.0113 -0.0053 -0.0010