1 ASP 28 N -0.0141 -0.0084 0.0125 2 ASP 28 CA -0.0074 -0.0115 0.0022 3 ASP 28 C -0.0004 -0.0020 -0.0062 4 ASP 28 O 0.0010 0.0002 -0.0077 5 ASP 28 CB -0.0064 -0.0259 -0.0022 6 ASP 28 CG 0.0003 -0.0300 -0.0128 7 ASP 28 OD1 0.0001 -0.0307 -0.0126 8 ASP 28 OD2 0.0057 -0.0331 -0.0212 9 ASP 28 H -0.0190 -0.0149 0.0184 10 ASP 28 HA -0.0085 -0.0103 0.0039 11 ASP 28 HB2 -0.0115 -0.0325 0.0039 12 ASP 28 HB3 -0.0055 -0.0271 -0.0037 13 PRO 29 N 0.0184 0.0254 -0.0485 14 PRO 29 CA 0.0426 0.0222 -0.0406 15 PRO 29 C 0.0271 0.0360 -0.0804 16 PRO 29 O -0.0192 0.0412 -0.0925 17 PRO 29 CB 0.0212 0.0057 0.0097 18 PRO 29 CG 0.0001 -0.0020 0.0340 19 PRO 29 CD -0.0165 0.0122 -0.0069 20 PRO 29 HA 0.0846 0.0207 -0.0392 21 PRO 29 HB2 -0.0085 0.0086 0.0033 22 PRO 29 HB3 0.0525 -0.0022 0.0310 23 PRO 29 HG2 -0.0331 -0.0090 0.0572 24 PRO 29 HG3 0.0302 -0.0102 0.0560 25 PRO 29 HD2 -0.0571 0.0162 -0.0160 26 PRO 29 HD3 -0.0101 0.0083 0.0042 27 ASN 30 N 0.0104 -0.0048 -0.0335 28 ASN 30 CA 0.0138 -0.0114 -0.0177 29 ASN 30 C 0.0120 -0.0006 -0.0243 30 ASN 30 O 0.0131 0.0175 -0.0148 31 ASN 30 CB 0.0185 -0.0059 0.0073 32 ASN 30 CG 0.0224 -0.0116 0.0255 33 ASN 30 OD1 0.0250 -0.0311 0.0342 34 ASN 30 ND2 0.0229 0.0052 0.0317 35 ASN 30 H 0.0096 -0.0173 -0.0401 36 ASN 30 HA 0.0143 -0.0303 -0.0194 37 ASN 30 HB2 0.0197 -0.0159 0.0110 38 ASN 30 HB3 0.0177 0.0126 0.0071 39 ASN 30 HD21 0.0207 0.0207 0.0245 40 ASN 30 HD22 0.0253 0.0018 0.0432 41 ALA 31 N 0.0047 -0.0115 -0.0108 42 ALA 31 CA 0.0045 -0.0113 -0.0112 43 ALA 31 C 0.0047 -0.0117 -0.0117 44 ALA 31 O 0.0046 -0.0117 -0.0122 45 ALA 31 CB 0.0043 -0.0107 -0.0114 46 ALA 31 H 0.0048 -0.0119 -0.0110 47 ALA 31 HA 0.0045 -0.0112 -0.0109 48 ALA 31 HB1 0.0042 -0.0105 -0.0117 49 ALA 31 HB2 0.0043 -0.0108 -0.0117 50 ALA 31 HB3 0.0042 -0.0104 -0.0111 51 GLU 32 N 0.0029 -0.0032 -0.0001 52 GLU 32 CA 0.0037 0.0007 0.0026 53 GLU 32 C 0.0054 0.0013 0.0047 54 GLU 32 O 0.0069 0.0038 0.0076 55 GLU 32 CB 0.0007 0.0044 0.0012 56 GLU 32 CG -0.0018 0.0052 -0.0011 57 GLU 32 CD -0.0047 0.0090 -0.0023 58 GLU 32 OE1 -0.0047 0.0125 -0.0005 59 GLU 32 OE2 -0.0071 0.0086 -0.0051 60 GLU 32 H 0.0007 -0.0029 -0.0024 61 GLU 32 HA 0.0052 0.0004 0.0041 62 GLU 32 HB2 0.0013 0.0072 0.0033 63 GLU 32 HB3 -0.0004 0.0039 -0.0003 64 GLU 32 HG2 -0.0026 0.0024 -0.0033 65 GLU 32 HG3 -0.0007 0.0056 0.0003 66 PHE 33 N -0.0007 0.0020 0.0016 67 PHE 33 CA -0.0004 0.0003 0.0022 68 PHE 33 C -0.0002 -0.0007 0.0027 69 PHE 33 O -0.0003 -0.0001 0.0024 70 PHE 33 CB 0.0006 -0.0004 0.0009 71 PHE 33 CG 0.0013 -0.0002 -0.0006 72 PHE 33 CD1 0.0018 -0.0014 -0.0008 73 PHE 33 CD2 0.0014 0.0010 -0.0018 74 PHE 33 CE1 0.0024 -0.0012 -0.0022 75 PHE 33 CE2 0.0020 0.0012 -0.0031 76 PHE 33 CZ 0.0025 0.0001 -0.0033 77 PHE 33 H -0.0003 0.0022 0.0006 78 PHE 33 HA -0.0008 0.0003 0.0031 79 PHE 33 HB2 0.0009 -0.0017 0.0013 80 PHE 33 HB3 0.0005 0.0002 0.0006 81 PHE 33 HD1 0.0017 -0.0024 0.0001 82 PHE 33 HD2 0.0010 0.0019 -0.0017 83 PHE 33 HE1 0.0028 -0.0021 -0.0023 84 PHE 33 HE2 0.0021 0.0022 -0.0041 85 PHE 33 HZ 0.0030 0.0002 -0.0044 86 ASP 34 N -0.0025 -0.0048 0.0041 87 ASP 34 CA -0.0024 -0.0034 0.0034 88 ASP 34 C -0.0011 -0.0025 0.0044 89 ASP 34 O -0.0005 -0.0032 0.0055 90 ASP 34 CB -0.0032 -0.0038 0.0026 91 ASP 34 CG -0.0033 -0.0023 0.0017 92 ASP 34 OD1 -0.0024 -0.0015 0.0022 93 ASP 34 OD2 -0.0042 -0.0020 0.0005 94 ASP 34 H -0.0025 -0.0057 0.0046 95 ASP 34 HA -0.0026 -0.0026 0.0026 96 ASP 34 HB2 -0.0041 -0.0045 0.0021 97 ASP 34 HB3 -0.0029 -0.0044 0.0034 98 PRO 35 N -0.0019 0.0003 0.0000 99 PRO 35 CA -0.0004 0.0042 0.0036 100 PRO 35 C 0.0018 0.0090 0.0032 101 PRO 35 O 0.0032 0.0125 0.0059 102 PRO 35 CB -0.0000 0.0047 0.0020 103 PRO 35 CG 0.0001 0.0036 -0.0038 104 PRO 35 CD -0.0016 -0.0002 -0.0047 105 PRO 35 HA -0.0013 0.0032 0.0076 106 PRO 35 HB2 0.0016 0.0083 0.0030 107 PRO 35 HB3 -0.0014 0.0022 0.0040 108 PRO 35 HG2 0.0018 0.0068 -0.0058 109 PRO 35 HG3 -0.0004 0.0023 -0.0051 110 PRO 35 HD2 -0.0009 0.0005 -0.0082 111 PRO 35 HD3 -0.0031 -0.0037 -0.0051 112 ASP 36 N 0.0003 0.0102 0.0072 113 ASP 36 CA 0.0040 0.0238 0.0040 114 ASP 36 C 0.0031 0.0188 0.0102 115 ASP 36 O 0.0066 0.0291 0.0163 116 ASP 36 CB 0.0039 0.0286 -0.0151 117 ASP 36 CG 0.0075 0.0422 -0.0192 118 ASP 36 OD1 0.0121 0.0566 -0.0152 119 ASP 36 OD2 0.0058 0.0385 -0.0267 120 ASP 36 H -0.0032 0.0006 -0.0006 121 ASP 36 HA 0.0077 0.0343 0.0112 122 ASP 36 HB2 0.0048 0.0328 -0.0188 123 ASP 36 HB3 0.0001 0.0178 -0.0223 124 LEU 37 N -0.0034 -0.0101 0.0079 125 LEU 37 CA -0.0039 -0.0118 0.0093 126 LEU 37 C -0.0016 -0.0119 0.0067 127 LEU 37 O -0.0008 -0.0090 0.0044 128 LEU 37 CB -0.0069 -0.0097 0.0118 129 LEU 37 CG -0.0095 -0.0105 0.0151 130 LEU 37 CD1 -0.0091 -0.0148 0.0168 131 LEU 37 CD2 -0.0099 -0.0088 0.0148 132 LEU 37 H -0.0042 -0.0072 0.0075 133 LEU 37 HA -0.0037 -0.0148 0.0105 134 LEU 37 HB2 -0.0072 -0.0066 0.0106 135 LEU 37 HB3 -0.0069 -0.0106 0.0122 136 LEU 37 HG -0.0114 -0.0090 0.0166 137 LEU 37 HD11 -0.0110 -0.0152 0.0191 138 LEU 37 HD12 -0.0072 -0.0164 0.0154 139 LEU 37 HD13 -0.0090 -0.0159 0.0172 140 LEU 37 HD21 -0.0117 -0.0094 0.0172 141 LEU 37 HD22 -0.0103 -0.0057 0.0138 142 LEU 37 HD23 -0.0080 -0.0102 0.0133 143 PRO 38 N -0.0024 -0.0122 0.0021 144 PRO 38 CA -0.0034 -0.0107 -0.0017 145 PRO 38 C -0.0035 -0.0060 -0.0021 146 PRO 38 O -0.0028 -0.0037 0.0007 147 PRO 38 CB -0.0033 -0.0119 -0.0016 148 PRO 38 CG -0.0025 -0.0153 0.0015 149 PRO 38 CD -0.0017 -0.0144 0.0045 150 PRO 38 HA -0.0040 -0.0122 -0.0043 151 PRO 38 HB2 -0.0031 -0.0092 -0.0007 152 PRO 38 HB3 -0.0041 -0.0129 -0.0045 153 PRO 38 HG2 -0.0021 -0.0152 0.0029 154 PRO 38 HG3 -0.0028 -0.0182 0.0000 155 PRO 38 HD2 -0.0011 -0.0124 0.0069 156 PRO 38 HD3 -0.0014 -0.0172 0.0057 157 GLY 39 N -0.0063 -0.0061 -0.0050 158 GLY 39 CA -0.0065 -0.0026 -0.0055 159 GLY 39 C -0.0053 -0.0023 -0.0037 160 GLY 39 O -0.0047 0.0007 -0.0029 161 GLY 39 H -0.0073 -0.0081 -0.0066 162 GLY 39 HA2 -0.0081 -0.0022 -0.0080 163 GLY 39 HA3 -0.0060 -0.0004 -0.0049 164 GLY 40 N -0.0033 -0.0040 0.0016 165 GLY 40 CA -0.0031 -0.0030 0.0033 166 GLY 40 C -0.0027 -0.0023 0.0062 167 GLY 40 O -0.0024 -0.0011 0.0079 168 GLY 40 H -0.0036 -0.0060 0.0011 169 GLY 40 HA2 -0.0032 -0.0046 0.0035 170 GLY 40 HA3 -0.0030 -0.0012 0.0024 171 GLY 41 N -0.0026 -0.0006 0.0062 172 GLY 41 CA -0.0016 0.0007 0.0099 173 GLY 41 C 0.0001 0.0058 0.0095 174 GLY 41 O 0.0012 0.0077 0.0127 175 GLY 41 H -0.0036 -0.0023 0.0034 176 GLY 41 HA2 -0.0023 -0.0012 0.0095 177 GLY 41 HA3 -0.0014 -0.0002 0.0133 178 LEU 42 N -0.0014 0.0060 0.0076 179 LEU 42 CA 0.0000 0.0120 0.0068 180 LEU 42 C 0.0002 0.0135 0.0040 181 LEU 42 O 0.0014 0.0184 0.0038 182 LEU 42 CB 0.0004 0.0143 0.0030 183 LEU 42 CG 0.0002 0.0134 0.0051 184 LEU 42 CD1 0.0006 0.0158 0.0008 185 LEU 42 CD2 0.0012 0.0159 0.0111 186 LEU 42 H -0.0021 0.0040 0.0043 187 LEU 42 HA 0.0008 0.0141 0.0110 188 LEU 42 HB2 -0.0004 0.0124 -0.0012 189 LEU 42 HB3 0.0014 0.0188 0.0024 190 LEU 42 HG -0.0008 0.0089 0.0055 191 LEU 42 HD11 0.0005 0.0151 0.0024 192 LEU 42 HD12 0.0016 0.0203 0.0002 193 LEU 42 HD13 -0.0002 0.0137 -0.0033 194 LEU 42 HD21 0.0023 0.0204 0.0108 195 LEU 42 HD22 0.0012 0.0153 0.0124 196 LEU 42 HD23 0.0009 0.0140 0.0142 197 HIS 43 N -0.0007 0.0052 -0.0027 198 HIS 43 CA -0.0013 0.0077 -0.0032 199 HIS 43 C 0.0002 0.0078 -0.0020 200 HIS 43 O -0.0002 0.0063 -0.0023 201 HIS 43 CB -0.0038 0.0077 -0.0051 202 HIS 43 CG -0.0055 0.0073 -0.0064 203 HIS 43 ND1 -0.0062 0.0095 -0.0070 204 HIS 43 CD2 -0.0066 0.0049 -0.0072 205 HIS 43 CE1 -0.0077 0.0085 -0.0082 206 HIS 43 NE2 -0.0080 0.0057 -0.0083 207 HIS 43 H -0.0007 0.0033 -0.0027 208 HIS 43 HA -0.0009 0.0096 -0.0029 209 HIS 43 HB2 -0.0041 0.0061 -0.0053 210 HIS 43 HB3 -0.0041 0.0098 -0.0054 211 HIS 43 HD1 -0.0057 0.0115 -0.0066 212 HIS 43 HD2 -0.0064 0.0028 -0.0070 213 HIS 43 HE1 -0.0086 0.0098 -0.0089 214 HIS 43 HE2 -0.0087 0.0044 -0.0089 215 ARG 44 N 0.0088 0.0076 -0.0004 216 ARG 44 CA 0.0044 0.0052 -0.0014 217 ARG 44 C 0.0061 0.0042 -0.0061 218 ARG 44 O 0.0108 0.0061 -0.0071 219 ARG 44 CB 0.0029 0.0064 0.0036 220 ARG 44 CG 0.0023 0.0082 0.0092 221 ARG 44 CD 0.0013 0.0095 0.0137 222 ARG 44 NE 0.0011 0.0114 0.0194 223 ARG 44 CZ -0.0004 0.0125 0.0240 224 ARG 44 NH1 -0.0015 0.0118 0.0237 225 ARG 44 NH2 -0.0006 0.0143 0.0290 226 ARG 44 H 0.0123 0.0094 0.0000 227 ARG 44 HA 0.0009 0.0034 -0.0020 228 ARG 44 HB2 0.0058 0.0076 0.0033 229 ARG 44 HB3 -0.0009 0.0044 0.0031 230 ARG 44 HG2 -0.0010 0.0068 0.0096 231 ARG 44 HG3 0.0060 0.0100 0.0095 232 ARG 44 HD2 0.0045 0.0107 0.0131 233 ARG 44 HD3 -0.0025 0.0075 0.0134 234 ARG 44 HE 0.0020 0.0120 0.0196 235 ARG 44 HH11 -0.0014 0.0105 0.0200 236 ARG 44 HH12 -0.0026 0.0126 0.0271 237 ARG 44 HH21 0.0002 0.0149 0.0295 238 ARG 44 HH22 -0.0017 0.0151 0.0325 239 CYS 45 N 0.0002 0.0055 -0.0042 240 CYS 45 CA 0.0008 0.0060 -0.0050 241 CYS 45 C 0.0018 0.0061 -0.0064 242 CYS 45 O 0.0019 0.0071 -0.0067 243 CYS 45 CB 0.0002 0.0077 -0.0047 244 CYS 45 SG 0.0010 0.0085 -0.0059 245 CYS 45 H -0.0000 0.0062 -0.0040 246 CYS 45 HA 0.0008 0.0051 -0.0049 247 CYS 45 HB2 -0.0004 0.0075 -0.0038 248 CYS 45 HB3 0.0000 0.0085 -0.0046 249 LEU 46 N 0.0025 -0.0053 -0.0095 250 LEU 46 CA 0.0056 -0.0048 -0.0264 251 LEU 46 C 0.0091 0.0067 -0.0323 252 LEU 46 O 0.0128 0.0151 -0.0432 253 LEU 46 CB 0.0035 -0.0209 -0.0335 254 LEU 46 CG 0.0002 -0.0331 -0.0291 255 LEU 46 CD1 -0.0020 -0.0490 -0.0357 256 LEU 46 CD2 0.0020 -0.0288 -0.0346 257 LEU 46 H -0.0004 -0.0148 -0.0047 258 LEU 46 HA 0.0070 -0.0010 -0.0297 259 LEU 46 HB2 0.0021 -0.0248 -0.0299 260 LEU 46 HB3 0.0059 -0.0203 -0.0459 261 LEU 46 HG -0.0021 -0.0332 -0.0167 262 LEU 46 HD11 -0.0035 -0.0523 -0.0308 263 LEU 46 HD12 -0.0042 -0.0573 -0.0328 264 LEU 46 HD13 0.0004 -0.0485 -0.0482 265 LEU 46 HD21 0.0033 -0.0181 -0.0289 266 LEU 46 HD22 0.0045 -0.0277 -0.0470 267 LEU 46 HD23 -0.0004 -0.0379 -0.0316 268 ALA 47 N 0.0041 0.0011 -0.0167 269 ALA 47 CA 0.0054 0.0014 -0.0150 270 ALA 47 C 0.0071 0.0006 -0.0153 271 ALA 47 O 0.0085 0.0006 -0.0141 272 ALA 47 CB 0.0043 0.0025 -0.0136 273 ALA 47 H 0.0028 0.0015 -0.0169 274 ALA 47 HA 0.0058 0.0015 -0.0145 275 ALA 47 HB1 0.0053 0.0027 -0.0124 276 ALA 47 HB2 0.0039 0.0024 -0.0141 277 ALA 47 HB3 0.0031 0.0031 -0.0135 278 CYS 48 N -0.0004 0.0026 0.0022 279 CYS 48 CA 0.0003 0.0012 0.0018 280 CYS 48 C 0.0007 0.0002 0.0013 281 CYS 48 O 0.0013 -0.0010 0.0012 282 CYS 48 CB -0.0001 0.0011 0.0007 283 CYS 48 SG -0.0003 0.0020 0.0014 284 CYS 48 H -0.0009 0.0031 0.0015 285 CYS 48 HA 0.0008 0.0010 0.0028 286 CYS 48 HB2 -0.0007 0.0015 -0.0003 287 CYS 48 HB3 0.0004 0.0001 0.0005 288 ALA 49 N -0.0061 0.0000 -0.0115 289 ALA 49 CA -0.0074 0.0027 -0.0083 290 ALA 49 C -0.0072 0.0042 -0.0063 291 ALA 49 O -0.0092 0.0063 -0.0040 292 ALA 49 CB -0.0115 0.0033 -0.0088 293 ALA 49 H -0.0039 -0.0009 -0.0120 294 ALA 49 HA -0.0053 0.0031 -0.0071 295 ALA 49 HB1 -0.0136 0.0029 -0.0100 296 ALA 49 HB2 -0.0115 0.0023 -0.0102 297 ALA 49 HB3 -0.0124 0.0053 -0.0064 298 ARG 50 N -0.0130 0.0080 -0.0014 299 ARG 50 CA 0.0032 0.0081 -0.0102 300 ARG 50 C 0.0062 0.0203 -0.0200 301 ARG 50 O -0.0005 0.0236 -0.0186 302 ARG 50 CB 0.0144 -0.0068 -0.0063 303 ARG 50 CG 0.0133 -0.0198 0.0030 304 ARG 50 CD 0.0247 -0.0340 0.0064 305 ARG 50 NE 0.0237 -0.0469 0.0156 306 ARG 50 CZ 0.0315 -0.0610 0.0208 307 ARG 50 NH1 0.0416 -0.0640 0.0174 308 ARG 50 NH2 0.0295 -0.0719 0.0291 309 ARG 50 H -0.0169 0.0046 0.0030 310 ARG 50 HA 0.0054 0.0104 -0.0129 311 ARG 50 HB2 0.0119 -0.0091 -0.0034 312 ARG 50 HB3 0.0262 -0.0057 -0.0134 313 ARG 50 HG2 0.0160 -0.0176 0.0001 314 ARG 50 HG3 0.0015 -0.0210 0.0102 315 ARG 50 HD2 0.0222 -0.0361 0.0091 316 ARG 50 HD3 0.0365 -0.0328 -0.0008 317 ARG 50 HE 0.0165 -0.0445 0.0178 318 ARG 50 HH11 0.0436 -0.0561 0.0110 319 ARG 50 HH12 0.0479 -0.0744 0.0209 320 ARG 50 HH21 0.0222 -0.0700 0.0319 321 ARG 50 HH22 0.0351 -0.0825 0.0332 322 TYR 51 N -0.0036 -0.0053 0.0018 323 TYR 51 CA -0.0020 -0.0025 0.0004 324 TYR 51 C -0.0020 -0.0039 -0.0054 325 TYR 51 O -0.0040 -0.0082 -0.0069 326 TYR 51 CB -0.0030 -0.0036 0.0041 327 TYR 51 CG -0.0033 -0.0027 0.0101 328 TYR 51 CD1 -0.0055 -0.0064 0.0131 329 TYR 51 CD2 -0.0013 0.0018 0.0128 330 TYR 51 CE1 -0.0057 -0.0056 0.0185 331 TYR 51 CE2 -0.0016 0.0026 0.0182 332 TYR 51 CZ -0.0038 -0.0011 0.0210 333 TYR 51 OH -0.0041 -0.0004 0.0265 334 TYR 51 H -0.0054 -0.0087 0.0024 335 TYR 51 HA -0.0001 0.0013 0.0009 336 TYR 51 HB2 -0.0048 -0.0074 0.0034 337 TYR 51 HB3 -0.0017 -0.0013 0.0031 338 TYR 51 HD1 -0.0070 -0.0099 0.0111 339 TYR 51 HD2 0.0005 0.0047 0.0105 340 TYR 51 HE1 -0.0075 -0.0085 0.0207 341 TYR 51 HE2 -0.0000 0.0061 0.0202 342 TYR 51 HH -0.0057 -0.0033 0.0282 343 PHE 52 N -0.0022 0.0044 -0.0083 344 PHE 52 CA -0.0040 0.0048 -0.0089 345 PHE 52 C -0.0050 0.0035 -0.0087 346 PHE 52 O -0.0042 0.0029 -0.0083 347 PHE 52 CB -0.0041 0.0067 -0.0096 348 PHE 52 CG -0.0032 0.0081 -0.0098 349 PHE 52 CD1 -0.0014 0.0085 -0.0095 350 PHE 52 CD2 -0.0042 0.0091 -0.0104 351 PHE 52 CE1 -0.0005 0.0098 -0.0097 352 PHE 52 CE2 -0.0034 0.0104 -0.0106 353 PHE 52 CZ -0.0015 0.0108 -0.0103 354 PHE 52 H -0.0014 0.0045 -0.0082 355 PHE 52 HA -0.0047 0.0048 -0.0091 356 PHE 52 HB2 -0.0035 0.0068 -0.0094 357 PHE 52 HB3 -0.0055 0.0070 -0.0100 358 PHE 52 HD1 -0.0006 0.0078 -0.0090 359 PHE 52 HD2 -0.0057 0.0088 -0.0107 360 PHE 52 HE1 0.0010 0.0101 -0.0094 361 PHE 52 HE2 -0.0042 0.0112 -0.0111 362 PHE 52 HZ -0.0008 0.0118 -0.0104 363 ILE 53 N -0.0106 0.0043 -0.0071 364 ILE 53 CA -0.0149 -0.0010 -0.0064 365 ILE 53 C -0.0170 -0.0009 -0.0064 366 ILE 53 O -0.0182 -0.0060 -0.0057 367 ILE 53 CB -0.0211 -0.0009 -0.0064 368 ILE 53 CG1 -0.0247 0.0057 -0.0072 369 ILE 53 CG2 -0.0193 -0.0024 -0.0062 370 ILE 53 CD1 -0.0310 0.0061 -0.0072 371 ILE 53 H -0.0121 0.0074 -0.0075 372 ILE 53 HA -0.0124 -0.0055 -0.0058 373 ILE 53 HB -0.0243 -0.0047 -0.0059 374 ILE 53 HG12 -0.0216 0.0096 -0.0077 375 ILE 53 HG13 -0.0260 0.0065 -0.0073 376 ILE 53 HG21 -0.0159 0.0011 -0.0066 377 ILE 53 HG22 -0.0172 -0.0072 -0.0056 378 ILE 53 HG23 -0.0237 -0.0023 -0.0062 379 ILE 53 HD11 -0.0344 0.0025 -0.0068 380 ILE 53 HD12 -0.0332 0.0109 -0.0078 381 ILE 53 HD13 -0.0299 0.0053 -0.0071 382 ASP 54 N -0.0133 0.0060 -0.0090 383 ASP 54 CA -0.0166 0.0054 -0.0084 384 ASP 54 C -0.0154 0.0086 -0.0077 385 ASP 54 O -0.0131 0.0121 -0.0073 386 ASP 54 CB -0.0214 0.0062 -0.0069 387 ASP 54 CG -0.0252 0.0053 -0.0062 388 ASP 54 OD1 -0.0268 0.0014 -0.0070 389 ASP 54 OD2 -0.0265 0.0086 -0.0049 390 ASP 54 H -0.0117 0.0090 -0.0085 391 ASP 54 HA -0.0167 0.0019 -0.0094 392 ASP 54 HB2 -0.0221 0.0040 -0.0074 393 ASP 54 HB3 -0.0214 0.0097 -0.0059 394 SER 55 N -0.0131 0.0070 -0.0051 395 SER 55 CA -0.0136 0.0069 -0.0045 396 SER 55 C -0.0139 0.0084 -0.0021 397 SER 55 O -0.0134 0.0093 -0.0016 398 SER 55 CB -0.0155 0.0049 -0.0048 399 SER 55 OG -0.0162 0.0047 -0.0041 400 SER 55 H -0.0140 0.0058 -0.0054 401 SER 55 HA -0.0125 0.0072 -0.0056 402 SER 55 HB2 -0.0152 0.0039 -0.0065 403 SER 55 HB3 -0.0167 0.0044 -0.0039 404 SER 55 HG -0.0171 0.0050 -0.0026 405 THR 56 N -0.0202 0.0023 0.0029 406 THR 56 CA -0.0212 0.0064 0.0091 407 THR 56 C -0.0175 0.0143 0.0072 408 THR 56 O -0.0172 0.0170 0.0088 409 THR 56 CB -0.0237 0.0072 0.0162 410 THR 56 OG1 -0.0269 -0.0002 0.0174 411 THR 56 CG2 -0.0252 0.0105 0.0230 412 THR 56 H -0.0211 0.0009 0.0037 413 THR 56 HA -0.0227 0.0033 0.0101 414 THR 56 HB -0.0220 0.0109 0.0152 415 THR 56 HG1 -0.0259 -0.0011 0.0141 416 THR 56 HG21 -0.0270 0.0110 0.0279 417 THR 56 HG22 -0.0269 0.0069 0.0239 418 THR 56 HG23 -0.0228 0.0161 0.0222 419 ASN 57 N -0.0187 0.0135 0.0034 420 ASN 57 CA -0.0166 0.0180 0.0019 421 ASN 57 C -0.0123 0.0191 -0.0014 422 ASN 57 O -0.0109 0.0237 -0.0023 423 ASN 57 CB -0.0163 0.0172 0.0016 424 ASN 57 CG -0.0203 0.0187 0.0047 425 ASN 57 OD1 -0.0208 0.0233 0.0052 426 ASN 57 ND2 -0.0232 0.0149 0.0069 427 ASN 57 H -0.0190 0.0103 0.0036 428 ASN 57 HA -0.0185 0.0215 0.0034 429 ASN 57 HB2 -0.0157 0.0130 0.0011 430 ASN 57 HB3 -0.0136 0.0194 -0.0004 431 ASN 57 HD21 -0.0228 0.0112 0.0065 432 ASN 57 HD22 -0.0258 0.0158 0.0089 433 LEU 58 N -0.0083 0.0127 -0.0058 434 LEU 58 CA -0.0065 0.0129 -0.0071 435 LEU 58 C -0.0068 0.0140 -0.0066 436 LEU 58 O -0.0057 0.0157 -0.0070 437 LEU 58 CB -0.0058 0.0103 -0.0081 438 LEU 58 CG -0.0040 0.0099 -0.0094 439 LEU 58 CD1 -0.0048 0.0095 -0.0090 440 LEU 58 CD2 -0.0023 0.0120 -0.0101 441 LEU 58 H -0.0090 0.0111 -0.0057 442 LEU 58 HA -0.0054 0.0141 -0.0076 443 LEU 58 HB2 -0.0053 0.0099 -0.0086 444 LEU 58 HB3 -0.0071 0.0090 -0.0075 445 LEU 58 HG -0.0034 0.0083 -0.0102 446 LEU 58 HD11 -0.0035 0.0093 -0.0099 447 LEU 58 HD12 -0.0055 0.0111 -0.0082 448 LEU 58 HD13 -0.0059 0.0080 -0.0085 449 LEU 58 HD21 -0.0029 0.0137 -0.0094 450 LEU 58 HD22 -0.0011 0.0117 -0.0111 451 LEU 58 HD23 -0.0018 0.0122 -0.0105 452 LYS 59 N -0.0066 0.0097 -0.0009 453 LYS 59 CA -0.0068 0.0080 -0.0001 454 LYS 59 C -0.0069 0.0110 0.0016 455 LYS 59 O -0.0068 0.0109 0.0007 456 LYS 59 CB -0.0076 0.0044 0.0023 457 LYS 59 CG -0.0082 0.0049 0.0063 458 LYS 59 CD -0.0089 0.0011 0.0083 459 LYS 59 CE -0.0092 -0.0009 0.0091 460 LYS 59 NZ -0.0095 0.0014 0.0117 461 LYS 59 H -0.0069 0.0087 0.0003 462 LYS 59 HA -0.0064 0.0073 -0.0029 463 LYS 59 HB2 -0.0077 0.0031 0.0025 464 LYS 59 HB3 -0.0074 0.0023 0.0008 465 LYS 59 HG2 -0.0081 0.0063 0.0060 466 LYS 59 HG3 -0.0084 0.0068 0.0079 467 LYS 59 HD2 -0.0087 -0.0008 0.0066 468 LYS 59 HD3 -0.0093 0.0016 0.0110 469 LYS 59 HE2 -0.0087 -0.0013 0.0064 470 LYS 59 HE3 -0.0096 -0.0036 0.0103 471 LYS 59 HZ1 -0.0099 0.0017 0.0143 472 LYS 59 HZ2 -0.0096 -0.0000 0.0121 473 LYS 59 HZ3 -0.0091 0.0041 0.0107 474 THR 60 N -0.0098 0.0102 0.0089 475 THR 60 CA -0.0111 0.0133 0.0091 476 THR 60 C -0.0111 0.0158 0.0054 477 THR 60 O -0.0115 0.0176 0.0041 478 THR 60 CB -0.0127 0.0154 0.0126 479 THR 60 OG1 -0.0126 0.0130 0.0160 480 THR 60 CG2 -0.0140 0.0187 0.0129 481 THR 60 H -0.0101 0.0099 0.0107 482 THR 60 HA -0.0107 0.0122 0.0094 483 THR 60 HB -0.0130 0.0163 0.0122 484 THR 60 HG1 -0.0120 0.0113 0.0161 485 THR 60 HG21 -0.0152 0.0201 0.0153 486 THR 60 HG22 -0.0137 0.0177 0.0132 487 THR 60 HG23 -0.0141 0.0205 0.0103 488 HIS 61 N -0.0046 0.0135 -0.0010 489 HIS 61 CA -0.0033 0.0139 -0.0011 490 HIS 61 C -0.0036 0.0143 -0.0004 491 HIS 61 O -0.0026 0.0149 0.0001 492 HIS 61 CB -0.0026 0.0133 -0.0024 493 HIS 61 CG -0.0015 0.0135 -0.0027 494 HIS 61 ND1 -0.0003 0.0143 -0.0023 495 HIS 61 CD2 -0.0016 0.0132 -0.0032 496 HIS 61 CE1 0.0003 0.0143 -0.0026 497 HIS 61 NE2 -0.0004 0.0137 -0.0031 498 HIS 61 H -0.0050 0.0129 -0.0017 499 HIS 61 HA -0.0027 0.0145 -0.0006 500 HIS 61 HB2 -0.0021 0.0133 -0.0027 501 HIS 61 HB3 -0.0033 0.0126 -0.0030 502 HIS 61 HD1 0.0001 0.0147 -0.0019 503 HIS 61 HD2 -0.0025 0.0126 -0.0036 504 HIS 61 HE1 0.0013 0.0148 -0.0024 505 PHE 62 N 0.0028 0.0097 -0.0002 506 PHE 62 CA 0.0018 0.0083 -0.0004 507 PHE 62 C 0.0021 0.0075 0.0016 508 PHE 62 O 0.0013 0.0063 0.0018 509 PHE 62 CB 0.0004 0.0068 -0.0012 510 PHE 62 CG 0.0000 0.0074 -0.0030 511 PHE 62 CD1 0.0001 0.0085 -0.0047 512 PHE 62 CD2 -0.0003 0.0069 -0.0031 513 PHE 62 CE1 -0.0003 0.0090 -0.0064 514 PHE 62 CE2 -0.0007 0.0074 -0.0048 515 PHE 62 CZ -0.0007 0.0085 -0.0064 516 PHE 62 H 0.0027 0.0094 0.0000 517 PHE 62 HA 0.0018 0.0089 -0.0013 518 PHE 62 HB2 0.0003 0.0059 -0.0001 519 PHE 62 HB3 -0.0002 0.0061 -0.0016 520 PHE 62 HD1 0.0004 0.0089 -0.0046 521 PHE 62 HD2 -0.0004 0.0060 -0.0018 522 PHE 62 HE1 -0.0002 0.0098 -0.0076 523 PHE 62 HE2 -0.0010 0.0069 -0.0048 524 PHE 62 HZ -0.0009 0.0089 -0.0077 525 ARG 63 N 0.0025 -0.0008 0.0188 526 ARG 63 CA 0.0019 -0.0000 0.0072 527 ARG 63 C -0.0024 -0.0051 0.0060 528 ARG 63 O -0.0038 -0.0056 -0.0033 529 ARG 63 CB -0.0012 -0.0027 -0.0012 530 ARG 63 CG 0.0039 0.0035 -0.0020 531 ARG 63 CD 0.0006 0.0006 -0.0104 532 ARG 63 NE -0.0011 -0.0000 -0.0218 533 ARG 63 CZ -0.0029 -0.0011 -0.0312 534 ARG 63 NH1 -0.0029 -0.0011 -0.0307 535 ARG 63 NH2 -0.0046 -0.0019 -0.0410 536 ARG 63 H -0.0005 -0.0046 0.0209 537 ARG 63 HA 0.0074 0.0069 0.0054 538 ARG 63 HB2 -0.0063 -0.0093 0.0013 539 ARG 63 HB3 -0.0020 -0.0027 -0.0096 540 ARG 63 HG2 0.0090 0.0100 -0.0048 541 ARG 63 HG3 0.0048 0.0036 0.0063 542 ARG 63 HD2 0.0044 0.0053 -0.0108 543 ARG 63 HD3 -0.0044 -0.0058 -0.0074 544 ARG 63 HE -0.0009 0.0002 -0.0223 545 ARG 63 HH11 -0.0015 -0.0004 -0.0235 546 ARG 63 HH12 -0.0043 -0.0019 -0.0377 547 ARG 63 HH21 -0.0045 -0.0017 -0.0415 548 ARG 63 HH22 -0.0060 -0.0027 -0.0483 549 SER 64 N 0.0075 -0.0038 -0.0039 550 SER 64 CA 0.0053 -0.0052 -0.0051 551 SER 64 C 0.0050 -0.0067 -0.0061 552 SER 64 O 0.0040 -0.0058 -0.0056 553 SER 64 CB 0.0027 -0.0036 -0.0044 554 SER 64 OG 0.0031 -0.0018 -0.0032 555 SER 64 H 0.0071 -0.0023 -0.0029 556 SER 64 HA 0.0057 -0.0063 -0.0057 557 SER 64 HB2 0.0021 -0.0029 -0.0040 558 SER 64 HB3 0.0011 -0.0046 -0.0053 559 SER 64 HG 0.0033 -0.0025 -0.0036 560 LYS 65 N 0.0041 -0.0177 -0.0243 561 LYS 65 CA 0.0055 -0.0088 -0.0192 562 LYS 65 C 0.0037 -0.0115 -0.0057 563 LYS 65 O 0.0049 -0.0030 0.0016 564 LYS 65 CB 0.0068 -0.0067 -0.0284 565 LYS 65 CG 0.0047 -0.0184 -0.0335 566 LYS 65 CD 0.0023 -0.0256 -0.0234 567 LYS 65 CE 0.0003 -0.0369 -0.0290 568 LYS 65 NZ -0.0022 -0.0446 -0.0192 569 LYS 65 H 0.0037 -0.0226 -0.0319 570 LYS 65 HA 0.0073 -0.0002 -0.0185 571 LYS 65 HB2 0.0076 -0.0011 -0.0235 572 LYS 65 HB3 0.0086 -0.0016 -0.0364 573 LYS 65 HG2 0.0060 -0.0155 -0.0403 574 LYS 65 HG3 0.0039 -0.0243 -0.0382 575 LYS 65 HD2 0.0010 -0.0286 -0.0165 576 LYS 65 HD3 0.0032 -0.0197 -0.0189 577 LYS 65 HE2 0.0016 -0.0338 -0.0354 578 LYS 65 HE3 -0.0004 -0.0424 -0.0341 579 LYS 65 HZ1 -0.0016 -0.0396 -0.0140 580 LYS 65 HZ2 -0.0035 -0.0480 -0.0130 581 LYS 65 HZ3 -0.0035 -0.0521 -0.0234 582 ASP 66 N 0.0036 -0.0222 -0.0120 583 ASP 66 CA 0.0143 -0.0255 0.0052 584 ASP 66 C 0.0125 -0.0265 -0.0050 585 ASP 66 O 0.0124 -0.0235 0.0083 586 ASP 66 CB 0.0369 -0.0391 0.0111 587 ASP 66 CG 0.0480 -0.0418 0.0321 588 ASP 66 OD1 0.0479 -0.0371 0.0532 589 ASP 66 OD2 0.0573 -0.0489 0.0280 590 ASP 66 H 0.0118 -0.0295 -0.0206 591 ASP 66 HA 0.0068 -0.0169 0.0215 592 ASP 66 HB2 0.0376 -0.0387 0.0152 593 ASP 66 HB3 0.0445 -0.0477 -0.0048 594 HIS 67 N 0.0052 -0.0080 -0.0114 595 HIS 67 CA 0.0035 -0.0045 -0.0113 596 HIS 67 C 0.0024 -0.0042 -0.0113 597 HIS 67 O -0.0007 -0.0034 -0.0112 598 HIS 67 CB 0.0061 -0.0015 -0.0114 599 HIS 67 CG 0.0048 0.0021 -0.0113 600 HIS 67 ND1 0.0014 0.0029 -0.0112 601 HIS 67 CD2 0.0066 0.0050 -0.0113 602 HIS 67 CE1 0.0012 0.0062 -0.0111 603 HIS 67 NE2 0.0043 0.0076 -0.0112 604 HIS 67 H 0.0077 -0.0081 -0.0115 605 HIS 67 HA 0.0012 -0.0042 -0.0113 606 HIS 67 HB2 0.0070 -0.0014 -0.0114 607 HIS 67 HB3 0.0084 -0.0016 -0.0114 608 HIS 67 HD1 -0.0007 0.0013 -0.0112 609 HIS 67 HD2 0.0092 0.0051 -0.0113 610 HIS 67 HE1 -0.0011 0.0078 -0.0111 611 LYS 68 N -0.0056 0.0043 -0.0093 612 LYS 68 CA -0.0074 0.0015 -0.0100 613 LYS 68 C -0.0108 -0.0031 -0.0115 614 LYS 68 O -0.0140 -0.0047 -0.0134 615 LYS 68 CB -0.0037 -0.0004 -0.0069 616 LYS 68 CG -0.0001 0.0042 -0.0053 617 LYS 68 CD 0.0036 0.0021 -0.0021 618 LYS 68 CE 0.0058 -0.0018 0.0003 619 LYS 68 NZ 0.0096 -0.0036 0.0035 620 LYS 68 H -0.0025 0.0041 -0.0070 621 LYS 68 HA -0.0090 0.0042 -0.0118 622 LYS 68 HB2 -0.0023 -0.0033 -0.0052 623 LYS 68 HB3 -0.0050 -0.0022 -0.0074 624 LYS 68 HG2 -0.0014 0.0075 -0.0070 625 LYS 68 HG3 0.0013 0.0061 -0.0047 626 LYS 68 HD2 0.0023 0.0001 -0.0027 627 LYS 68 HD3 0.0060 0.0054 -0.0011 628 LYS 68 HE2 0.0070 0.0002 0.0007 629 LYS 68 HE3 0.0035 -0.0052 -0.0006 630 LYS 68 HZ1 0.0086 -0.0056 0.0032 631 LYS 68 HZ2 0.0111 -0.0062 0.0052 632 LYS 68 HZ3 0.0119 -0.0004 0.0044 633 LYS 69 N -0.0299 -0.0097 -0.0394 634 LYS 69 CA -0.0284 -0.0053 -0.0096 635 LYS 69 C -0.0151 -0.0083 -0.0177 636 LYS 69 O -0.0289 -0.0048 -0.0069 637 LYS 69 CB -0.0048 -0.0048 0.0141 638 LYS 69 CG 0.0090 -0.0023 0.0430 639 LYS 69 CD 0.0347 -0.0031 0.0601 640 LYS 69 CE 0.0533 -0.0012 0.0889 641 LYS 69 NZ 0.0788 -0.0026 0.1022 642 LYS 69 H -0.0175 -0.0113 -0.0393 643 LYS 69 HA -0.0526 -0.0003 0.0014 644 LYS 69 HB2 -0.0176 -0.0016 0.0241 645 LYS 69 HB3 0.0159 -0.0098 -0.0003 646 LYS 69 HG2 0.0202 -0.0054 0.0322 647 LYS 69 HG3 -0.0107 0.0030 0.0597 648 LYS 69 HD2 0.0218 0.0001 0.0695 649 LYS 69 HD3 0.0525 -0.0083 0.0417 650 LYS 69 HE2 0.0652 -0.0041 0.0804 651 LYS 69 HE3 0.0360 0.0042 0.1083 652 LYS 69 HZ1 0.0931 -0.0015 0.1217 653 LYS 69 HZ2 0.0950 -0.0077 0.0831 654 LYS 69 HZ3 0.0676 0.0001 0.1099 655 ARG 70 N 0.0034 -0.0115 -0.0141 656 ARG 70 CA -0.0028 -0.0099 -0.0106 657 ARG 70 C -0.0049 -0.0023 -0.0093 658 ARG 70 O -0.0106 -0.0008 -0.0060 659 ARG 70 CB -0.0025 -0.0105 -0.0108 660 ARG 70 CG -0.0090 -0.0098 -0.0070 661 ARG 70 CD -0.0136 -0.0156 -0.0044 662 ARG 70 NE -0.0200 -0.0148 -0.0007 663 ARG 70 CZ -0.0254 -0.0168 0.0024 664 ARG 70 NH1 -0.0253 -0.0197 0.0023 665 ARG 70 NH2 -0.0310 -0.0159 0.0056 666 ARG 70 H 0.0072 -0.0118 -0.0163 667 ARG 70 HA -0.0061 -0.0140 -0.0087 668 ARG 70 HB2 -0.0002 -0.0157 -0.0121 669 ARG 70 HB3 0.0006 -0.0061 -0.0125 670 ARG 70 HG2 -0.0084 -0.0104 -0.0074 671 ARG 70 HG3 -0.0109 -0.0044 -0.0059 672 ARG 70 HD2 -0.0141 -0.0151 -0.0041 673 ARG 70 HD3 -0.0118 -0.0210 -0.0055 674 ARG 70 HE -0.0201 -0.0127 -0.0006 675 ARG 70 HH11 -0.0213 -0.0206 -0.0000 676 ARG 70 HH12 -0.0294 -0.0212 0.0047 677 ARG 70 HH21 -0.0312 -0.0137 0.0057 678 ARG 70 HH22 -0.0352 -0.0172 0.0080 679 LEU 71 N -0.0068 -0.0014 -0.0113 680 LEU 71 CA -0.0062 0.0000 -0.0104 681 LEU 71 C -0.0056 0.0005 -0.0104 682 LEU 71 O -0.0057 0.0014 -0.0094 683 LEU 71 CB -0.0050 0.0008 -0.0107 684 LEU 71 CG -0.0054 0.0005 -0.0107 685 LEU 71 CD1 -0.0042 0.0014 -0.0110 686 LEU 71 CD2 -0.0066 0.0006 -0.0093 687 LEU 71 H -0.0063 -0.0017 -0.0122 688 LEU 71 HA -0.0070 0.0003 -0.0093 689 LEU 71 HB2 -0.0042 0.0006 -0.0118 690 LEU 71 HB3 -0.0046 0.0019 -0.0100 691 LEU 71 HG -0.0057 -0.0006 -0.0115 692 LEU 71 HD11 -0.0038 0.0024 -0.0102 693 LEU 71 HD12 -0.0033 0.0012 -0.0120 694 LEU 71 HD13 -0.0045 0.0011 -0.0110 695 LEU 71 HD21 -0.0076 -0.0001 -0.0091 696 LEU 71 HD22 -0.0064 0.0016 -0.0084 697 LEU 71 HD23 -0.0069 0.0004 -0.0093 698 LYS 72 N -0.0076 -0.0062 -0.0040 699 LYS 72 CA 0.0075 0.0100 -0.0079 700 LYS 72 C 0.0225 0.0139 -0.0027 701 LYS 72 O 0.0400 0.0193 0.0027 702 LYS 72 CB -0.0016 0.0254 -0.0242 703 LYS 72 CG 0.0127 0.0432 -0.0297 704 LYS 72 CD 0.0024 0.0574 -0.0457 705 LYS 72 CE 0.0166 0.0751 -0.0512 706 LYS 72 NZ 0.0067 0.0889 -0.0667 707 LYS 72 H -0.0210 -0.0058 -0.0115 708 LYS 72 HA 0.0145 0.0084 -0.0030 709 LYS 72 HB2 -0.0124 0.0224 -0.0277 710 LYS 72 HB3 -0.0089 0.0268 -0.0291 711 LYS 72 HG2 0.0226 0.0471 -0.0272 712 LYS 72 HG3 0.0207 0.0420 -0.0245 713 LYS 72 HD2 -0.0078 0.0534 -0.0482 714 LYS 72 HD3 -0.0054 0.0587 -0.0508 715 LYS 72 HE2 0.0263 0.0792 -0.0490 716 LYS 72 HE3 0.0248 0.0735 -0.0456 717 LYS 72 HZ1 -0.0013 0.0908 -0.0724 718 LYS 72 HZ2 -0.0027 0.0853 -0.0691 719 LYS 72 HZ3 0.0168 0.1009 -0.0701 720 GLN 73 N -0.0003 0.0020 -0.0063 721 GLN 73 CA -0.0045 -0.0007 -0.0012 722 GLN 73 C -0.0068 0.0023 0.0065 723 GLN 73 O -0.0084 0.0042 0.0113 724 GLN 73 CB -0.0082 -0.0087 -0.0028 725 GLN 73 CG -0.0063 -0.0122 -0.0101 726 GLN 73 CD -0.0100 -0.0202 -0.0117 727 GLN 73 OE1 -0.0129 -0.0230 -0.0092 728 GLN 73 NE2 -0.0098 -0.0238 -0.0159 729 GLN 73 H -0.0003 -0.0011 -0.0096 730 GLN 73 HA -0.0034 0.0009 -0.0016 731 GLN 73 HB2 -0.0092 -0.0102 -0.0025 732 GLN 73 HB3 -0.0113 -0.0105 0.0011 733 GLN 73 HG2 -0.0055 -0.0110 -0.0104 734 GLN 73 HG3 -0.0031 -0.0103 -0.0141 735 GLN 73 HE21 -0.0074 -0.0212 -0.0177 736 GLN 73 HE22 -0.0121 -0.0289 -0.0171 737 LEU 74 N -0.0027 -0.0014 -0.0027 738 LEU 74 CA -0.0035 -0.0010 0.0062 739 LEU 74 C 0.0022 0.0056 0.0099 740 LEU 74 O 0.0024 0.0070 0.0175 741 LEU 74 CB -0.0079 -0.0055 0.0076 742 LEU 74 CG -0.0098 -0.0063 0.0167 743 LEU 74 CD1 -0.0127 -0.0087 0.0215 744 LEU 74 CD2 -0.0140 -0.0107 0.0170 745 LEU 74 H -0.0035 -0.0028 -0.0068 746 LEU 74 HA -0.0054 -0.0026 0.0094 747 LEU 74 HB2 -0.0116 -0.0099 0.0043 748 LEU 74 HB3 -0.0056 -0.0035 0.0046 749 LEU 74 HG -0.0061 -0.0019 0.0198 750 LEU 74 HD11 -0.0141 -0.0093 0.0278 751 LEU 74 HD12 -0.0164 -0.0130 0.0184 752 LEU 74 HD13 -0.0096 -0.0054 0.0216 753 LEU 74 HD21 -0.0178 -0.0152 0.0139 754 LEU 74 HD22 -0.0154 -0.0113 0.0234 755 LEU 74 HD23 -0.0119 -0.0089 0.0138 756 SER 75 N 0.0141 0.0042 -0.0026 757 SER 75 CA 0.0230 0.0048 0.0010 758 SER 75 C 0.0181 -0.0064 0.0081 759 SER 75 O 0.0258 -0.0093 0.0141 760 SER 75 CB 0.0386 0.0075 0.0058 761 SER 75 OG 0.0475 0.0088 0.0087 762 SER 75 H 0.0072 0.0086 -0.0095 763 SER 75 HA 0.0214 0.0118 -0.0057 764 SER 75 HB2 0.0414 0.0154 0.0004 765 SER 75 HB3 0.0402 0.0004 0.0124 766 SER 75 HG 0.0551 0.0156 0.0065 767 VAL 76 N 0.0015 0.0024 -0.0033 768 VAL 76 CA 0.0008 0.0010 -0.0032 769 VAL 76 C 0.0008 0.0024 -0.0044 770 VAL 76 O 0.0015 0.0026 -0.0035 771 VAL 76 CB -0.0009 -0.0008 -0.0042 772 VAL 76 CG1 -0.0017 -0.0022 -0.0042 773 VAL 76 CG2 -0.0010 -0.0023 -0.0031 774 VAL 76 H 0.0009 0.0021 -0.0040 775 VAL 76 HA 0.0015 0.0004 -0.0017 776 VAL 76 HB -0.0016 -0.0001 -0.0058 777 VAL 76 HG11 -0.0029 -0.0035 -0.0049 778 VAL 76 HG12 -0.0010 -0.0028 -0.0026 779 VAL 76 HG13 -0.0017 -0.0012 -0.0051 780 VAL 76 HG21 -0.0022 -0.0035 -0.0038 781 VAL 76 HG22 -0.0005 -0.0013 -0.0032 782 VAL 76 HG23 -0.0003 -0.0029 -0.0015 783 GLU 77 N -0.0001 0.0011 -0.0105 784 GLU 77 CA -0.0009 0.0005 -0.0100 785 GLU 77 C -0.0012 0.0018 -0.0100 786 GLU 77 O -0.0021 0.0029 -0.0097 787 GLU 77 CB -0.0024 -0.0001 -0.0092 788 GLU 77 CG -0.0033 0.0010 -0.0089 789 GLU 77 CD -0.0048 0.0004 -0.0081 790 GLU 77 OE1 -0.0048 -0.0007 -0.0079 791 GLU 77 OE2 -0.0059 0.0009 -0.0076 792 GLU 77 H -0.0003 0.0022 -0.0105 793 GLU 77 HA -0.0003 -0.0005 -0.0101 794 GLU 77 HB2 -0.0031 -0.0004 -0.0088 795 GLU 77 HB3 -0.0022 -0.0013 -0.0091 796 GLU 77 HG2 -0.0027 0.0013 -0.0092 797 GLU 77 HG3 -0.0035 0.0022 -0.0089 798 PRO 78 N 0.0063 -0.0067 -0.0139 799 PRO 78 CA 0.0080 -0.0023 -0.0195 800 PRO 78 C 0.0036 -0.0051 -0.0134 801 PRO 78 O 0.0062 -0.0134 -0.0072 802 PRO 78 CB 0.0199 -0.0061 -0.0246 803 PRO 78 CG 0.0238 -0.0100 -0.0237 804 PRO 78 CD 0.0160 -0.0132 -0.0147 805 PRO 78 HA 0.0046 0.0052 -0.0243 806 PRO 78 HB2 0.0226 -0.0114 -0.0214 807 PRO 78 HB3 0.0222 -0.0006 -0.0316 808 PRO 78 HG2 0.0313 -0.0158 -0.0236 809 PRO 78 HG3 0.0243 -0.0048 -0.0292 810 PRO 78 HD2 0.0178 -0.0202 -0.0092 811 PRO 78 HD3 0.0157 -0.0127 -0.0150 812 TYR 79 N -0.0066 -0.0003 -0.0177 813 TYR 79 CA -0.0078 -0.0058 0.0034 814 TYR 79 C -0.0122 0.0030 0.0193 815 TYR 79 O -0.0105 -0.0062 0.0253 816 TYR 79 CB -0.0019 -0.0288 0.0070 817 TYR 79 CG 0.0021 -0.0372 -0.0066 818 TYR 79 CD1 0.0065 -0.0442 -0.0262 819 TYR 79 CD2 0.0014 -0.0378 0.0003 820 TYR 79 CE1 0.0100 -0.0515 -0.0386 821 TYR 79 CE2 0.0050 -0.0452 -0.0120 822 TYR 79 CZ 0.0093 -0.0520 -0.0315 823 TYR 79 OH 0.0129 -0.0594 -0.0440 824 TYR 79 H -0.0083 0.0095 -0.0259 825 TYR 79 HA -0.0102 0.0019 0.0054 826 TYR 79 HB2 0.0006 -0.0368 0.0037 827 TYR 79 HB3 -0.0032 -0.0317 0.0231 828 TYR 79 HD1 0.0070 -0.0437 -0.0317 829 TYR 79 HD2 -0.0020 -0.0325 0.0156 830 TYR 79 HE1 0.0134 -0.0569 -0.0539 831 TYR 79 HE2 0.0043 -0.0456 -0.0064 832 TYR 79 HH 0.0101 -0.0495 -0.0435 833 SER 80 N -0.0110 -0.0007 0.0045 834 SER 80 CA -0.0090 0.0016 0.0041 835 SER 80 C -0.0093 0.0013 0.0086 836 SER 80 O -0.0115 -0.0011 0.0116 837 SER 80 CB -0.0056 0.0054 0.0034 838 SER 80 OG -0.0034 0.0078 0.0026 839 SER 80 H -0.0103 0.0001 0.0066 840 SER 80 HA -0.0096 0.0008 0.0010 841 SER 80 HB2 -0.0055 0.0054 0.0004 842 SER 80 HB3 -0.0049 0.0062 0.0066 843 SER 80 HG -0.0036 0.0075 -0.0008 844 GLN 81 N 0.0009 0.0029 0.0106 845 GLN 81 CA 0.0038 0.0028 0.0100 846 GLN 81 C 0.0050 -0.0002 0.0114 847 GLN 81 O 0.0043 -0.0020 0.0126 848 GLN 81 CB 0.0061 0.0042 0.0087 849 GLN 81 CG 0.0090 0.0045 0.0079 850 GLN 81 CD 0.0115 0.0056 0.0066 851 GLN 81 OE1 0.0117 0.0053 0.0068 852 GLN 81 NE2 0.0133 0.0070 0.0054 853 GLN 81 H 0.0006 0.0035 0.0103 854 GLN 81 HA 0.0035 0.0037 0.0095 855 GLN 81 HB2 0.0051 0.0062 0.0078 856 GLN 81 HB3 0.0067 0.0030 0.0092 857 GLN 81 HG2 0.0100 0.0024 0.0088 858 GLN 81 HG3 0.0085 0.0057 0.0073 859 GLN 81 HE21 0.0130 0.0073 0.0054 860 GLN 81 HE22 0.0149 0.0078 0.0046 861 GLU 82 N 0.0109 -0.0064 0.0210 862 GLU 82 CA 0.0135 -0.0128 0.0204 863 GLU 82 C 0.0094 -0.0125 0.0244 864 GLU 82 O 0.0107 -0.0170 0.0245 865 GLU 82 CB 0.0152 -0.0213 0.0214 866 GLU 82 CG 0.0181 -0.0283 0.0207 867 GLU 82 CD 0.0198 -0.0361 0.0215 868 GLU 82 OE1 0.0158 -0.0398 0.0267 869 GLU 82 OE2 0.0252 -0.0387 0.0170 870 GLU 82 H 0.0126 -0.0015 0.0178 871 GLU 82 HA 0.0176 -0.0111 0.0158 872 GLU 82 HB2 0.0183 -0.0210 0.0183 873 GLU 82 HB3 0.0111 -0.0226 0.0259 874 GLU 82 HG2 0.0150 -0.0290 0.0240 875 GLU 82 HG3 0.0222 -0.0269 0.0163 876 GLU 83 N -0.0075 0.0003 0.0396 877 GLU 83 CA -0.0147 -0.0016 0.0434 878 GLU 83 C -0.0243 -0.0048 0.0380 879 GLU 83 O -0.0314 -0.0066 0.0427 880 GLU 83 CB -0.0113 -0.0007 0.0424 881 GLU 83 CG -0.0184 -0.0026 0.0461 882 GLU 83 CD -0.0142 -0.0013 0.0460 883 GLU 83 OE1 -0.0134 -0.0015 0.0380 884 GLU 83 OE2 -0.0116 -0.0001 0.0541 885 GLU 83 H -0.0062 0.0003 0.0323 886 GLU 83 HA -0.0158 -0.0015 0.0512 887 GLU 83 HB2 -0.0048 0.0015 0.0465 888 GLU 83 HB3 -0.0097 -0.0006 0.0346 889 GLU 83 HG2 -0.0247 -0.0047 0.0414 890 GLU 83 HG3 -0.0206 -0.0028 0.0537 891 ALA 84 N -0.0053 -0.0081 0.0283 892 ALA 84 CA -0.0073 -0.0082 0.0269 893 ALA 84 C -0.0025 -0.0037 0.0285 894 ALA 84 O -0.0036 -0.0015 0.0267 895 ALA 84 CB -0.0131 -0.0061 0.0217 896 ALA 84 H -0.0058 -0.0043 0.0263 897 ALA 84 HA -0.0079 -0.0134 0.0288 898 ALA 84 HB1 -0.0144 -0.0062 0.0208 899 ALA 84 HB2 -0.0126 -0.0011 0.0199 900 ALA 84 HB3 -0.0165 -0.0097 0.0209 901 GLU 85 N 0.0056 0.0070 0.0256 902 GLU 85 CA 0.0100 0.0083 0.0203 903 GLU 85 C 0.0143 0.0021 0.0193 904 GLU 85 O 0.0157 -0.0024 0.0204 905 GLU 85 CB 0.0102 0.0098 0.0192 906 GLU 85 CG 0.0142 0.0125 0.0134 907 GLU 85 CD 0.0195 0.0077 0.0105 908 GLU 85 OE1 0.0212 0.0045 0.0105 909 GLU 85 OE2 0.0221 0.0071 0.0080 910 GLU 85 H 0.0061 0.0027 0.0276 911 GLU 85 HA 0.0101 0.0122 0.0179 912 GLU 85 HB2 0.0066 0.0133 0.0211 913 GLU 85 HB3 0.0109 0.0055 0.0209 914 GLU 85 HG2 0.0138 0.0156 0.0120 915 GLU 85 HG3 0.0131 0.0151 0.0130 916 ARG 86 N 0.0201 0.0025 0.0164 917 ARG 86 CA 0.0229 -0.0033 0.0143 918 ARG 86 C 0.0230 -0.0026 0.0019 919 ARG 86 O 0.0196 0.0053 -0.0042 920 ARG 86 CB 0.0212 -0.0003 0.0234 921 ARG 86 CG 0.0157 0.0116 0.0257 922 ARG 86 CD 0.0131 0.0180 0.0152 923 ARG 86 NE 0.0078 0.0293 0.0178 924 ARG 86 CZ 0.0045 0.0372 0.0099 925 ARG 86 NH1 0.0058 0.0352 -0.0012 926 ARG 86 NH2 -0.0002 0.0471 0.0134 927 ARG 86 H 0.0167 0.0101 0.0144 928 ARG 86 HA 0.0266 -0.0115 0.0159 929 ARG 86 HB2 0.0227 -0.0033 0.0204 930 ARG 86 HB3 0.0227 -0.0043 0.0316 931 ARG 86 HG2 0.0150 0.0125 0.0326 932 ARG 86 HG3 0.0141 0.0147 0.0287 933 ARG 86 HD2 0.0139 0.0167 0.0080 934 ARG 86 HD3 0.0143 0.0155 0.0130 935 ARG 86 HE 0.0067 0.0310 0.0261 936 ARG 86 HH11 0.0092 0.0278 -0.0043 937 ARG 86 HH12 0.0033 0.0410 -0.0072 938 ARG 86 HH21 -0.0013 0.0490 0.0217 939 ARG 86 HH22 -0.0028 0.0533 0.0078 940 ALA 87 N 0.0146 0.0023 0.0085 941 ALA 87 CA 0.0000 0.0020 0.0059 942 ALA 87 C -0.0051 0.0168 0.0063 943 ALA 87 O -0.0141 0.0206 0.0051 944 ALA 87 CB -0.0026 -0.0050 0.0049 945 ALA 87 H 0.0204 0.0047 0.0097 946 ALA 87 HA -0.0048 -0.0037 0.0046 947 ALA 87 HB1 0.0026 0.0005 0.0062 948 ALA 87 HB2 0.0012 -0.0154 0.0046 949 ALA 87 HB3 -0.0133 -0.0049 0.0030 950 ALA 88 N -0.0214 0.0250 0.0106 951 ALA 88 CA -0.0184 0.0385 -0.0111 952 ALA 88 C 0.0042 0.0316 -0.0114 953 ALA 88 O 0.0282 0.0302 -0.0206 954 ALA 88 CB -0.0128 0.0511 -0.0327 955 ALA 88 H -0.0049 0.0164 0.0157 956 ALA 88 HA -0.0374 0.0447 -0.0115 957 ALA 88 HB1 0.0064 0.0450 -0.0326 958 ALA 88 HB2 -0.0292 0.0558 -0.0320 959 ALA 88 HB3 -0.0112 0.0613 -0.0487 960 GLY 89 N 0.0726 0.0064 0.0139 961 GLY 89 CA -0.0139 0.0175 0.0150 962 GLY 89 C 0.0252 0.0198 -0.0038 963 GLY 89 O 0.0894 -0.0108 0.0515 964 GLY 89 H 0.1419 0.0093 -0.0166 965 GLY 89 HA2 -0.0554 -0.0055 0.0866 966 GLY 89 HA3 -0.0669 0.0472 -0.0419 967 MET 90 N -0.0230 -0.0000 0.0274 968 MET 90 CA -0.0117 0.0028 0.0199 969 MET 90 C 0.0005 0.0002 0.0018 970 MET 90 O -0.0040 -0.0107 -0.0123 971 MET 90 CB -0.0224 -0.0046 0.0186 972 MET 90 CG -0.0120 -0.0005 0.0144 973 MET 90 SD 0.0041 -0.0027 -0.0071 974 MET 90 CE 0.0115 0.0019 -0.0073 975 MET 90 H -0.0220 0.0071 0.0388 976 MET 90 HA -0.0036 0.0130 0.0289 977 MET 90 HB2 -0.0321 -0.0035 0.0312 978 MET 90 HB3 -0.0291 -0.0147 0.0083 979 MET 90 HG2 -0.0053 0.0095 0.0246 980 MET 90 HG3 -0.0212 -0.0059 0.0150 981 MET 90 HE1 0.0170 0.0117 0.0039 982 MET 90 HE2 0.0214 0.0010 -0.0196 983 MET 90 HE3 0.0007 -0.0043 -0.0062 984 GLY 91 N 0.0132 -0.0032 0.0148 985 GLY 91 CA 0.0125 -0.0080 0.0194 986 GLY 91 C 0.0151 -0.0024 0.0134 987 GLY 91 O 0.0075 0.0012 0.0129 988 GLY 91 H 0.0082 0.0030 0.0110 989 GLY 91 HA2 0.0187 -0.0146 0.0231 990 GLY 91 HA3 0.0037 -0.0091 0.0234 991 SER 92 N 0.0231 0.0023 -0.0175 992 SER 92 CA 0.0242 0.0035 -0.0186 993 SER 92 C 0.0204 0.0047 -0.0287 994 SER 92 O 0.0129 0.0006 -0.0320 995 SER 92 CB 0.0204 -0.0020 -0.0113 996 SER 92 OG 0.0241 -0.0031 -0.0020 997 SER 92 H 0.0174 -0.0015 -0.0183 998 SER 92 HA 0.0308 0.0076 -0.0171 999 SER 92 HB2 0.0138 -0.0062 -0.0127 1000 SER 92 HB3 0.0215 -0.0010 -0.0119 1001 SER 92 HG 0.0272 -0.0006 -0.0028 1002 TYR 93 N -0.0156 -0.0042 0.0067 1003 TYR 93 CA -0.0155 -0.0044 0.0128 1004 TYR 93 C -0.0090 -0.0129 0.0319 1005 TYR 93 O -0.0025 -0.0210 0.0363 1006 TYR 93 CB -0.0087 -0.0122 -0.0025 1007 TYR 93 CG -0.0094 -0.0114 0.0005 1008 TYR 93 CD1 -0.0189 0.0004 -0.0068 1009 TYR 93 CD2 -0.0007 -0.0224 0.0106 1010 TYR 93 CE1 -0.0198 0.0013 -0.0042 1011 TYR 93 CE2 -0.0015 -0.0215 0.0133 1012 TYR 93 CZ -0.0110 -0.0097 0.0059 1013 TYR 93 OH -0.0118 -0.0087 0.0087 1014 TYR 93 H -0.0077 -0.0136 0.0032 1015 TYR 93 HA -0.0248 0.0068 0.0146 1016 TYR 93 HB2 -0.0124 -0.0073 -0.0164 1017 TYR 93 HB3 0.0008 -0.0238 -0.0027 1018 TYR 93 HD1 -0.0258 0.0089 -0.0148 1019 TYR 93 HD2 0.0068 -0.0317 0.0165 1020 TYR 93 HE1 -0.0273 0.0106 -0.0100 1021 TYR 93 HE2 0.0054 -0.0301 0.0213 1022 TYR 93 HH -0.0108 -0.0104 0.0222 1023 VAL 94 N -0.0336 0.0005 -0.0356 1024 VAL 94 CA -0.0160 0.0015 -0.0197 1025 VAL 94 C -0.0030 -0.0134 -0.0222 1026 VAL 94 O 0.0041 -0.0297 -0.0309 1027 VAL 94 CB -0.0061 0.0021 -0.0107 1028 VAL 94 CG1 -0.0023 -0.0142 -0.0223 1029 VAL 94 CG2 0.0117 0.0040 0.0062 1030 VAL 94 H -0.0370 -0.0015 -0.0404 1031 VAL 94 HA -0.0198 0.0142 -0.0114 1032 VAL 94 HB -0.0155 0.0139 -0.0080 1033 VAL 94 HG11 0.0045 -0.0131 -0.0155 1034 VAL 94 HG12 0.0066 -0.0264 -0.0258 1035 VAL 94 HG13 -0.0152 -0.0146 -0.0337 1036 VAL 94 HG21 0.0211 -0.0073 0.0039 1037 VAL 94 HG22 0.0183 0.0043 0.0121 1038 VAL 94 HG23 0.0085 0.0164 0.0147