1 ASP 28 N 0.0536 0.0378 0.0290 2 ASP 28 CA 0.0298 0.0221 0.0068 3 ASP 28 C 0.0115 0.0391 -0.0110 4 ASP 28 O 0.0107 0.0701 -0.0124 5 ASP 28 CB 0.0224 0.0243 -0.0002 6 ASP 28 CG -0.0018 0.0083 -0.0230 7 ASP 28 OD1 -0.0042 -0.0226 -0.0246 8 ASP 28 OD2 -0.0183 0.0259 -0.0390 9 ASP 28 H 0.0666 0.0269 0.0416 10 ASP 28 HA 0.0312 -0.0038 0.0087 11 ASP 28 HB2 0.0357 0.0119 0.0126 12 ASP 28 HB3 0.0217 0.0503 -0.0015 13 PRO 29 N 0.0168 0.0536 -0.0399 14 PRO 29 CA 0.0253 0.0588 -0.0436 15 PRO 29 C 0.0088 0.0740 -0.0772 16 PRO 29 O -0.0233 0.0704 -0.0889 17 PRO 29 CB 0.0078 0.0368 -0.0175 18 PRO 29 CG 0.0008 0.0201 0.0058 19 PRO 29 CD -0.0047 0.0302 -0.0135 20 PRO 29 HA 0.0543 0.0658 -0.0393 21 PRO 29 HB2 -0.0169 0.0359 -0.0294 22 PRO 29 HB3 0.0261 0.0357 -0.0057 23 PRO 29 HG2 -0.0233 0.0058 0.0159 24 PRO 29 HG3 0.0240 0.0160 0.0251 25 PRO 29 HD2 -0.0332 0.0266 -0.0232 26 PRO 29 HD3 0.0059 0.0242 0.0019 27 ASN 30 N 0.0657 -0.0767 0.1815 28 ASN 30 CA 0.0450 -0.0370 0.0874 29 ASN 30 C 0.0131 -0.0390 0.0432 30 ASN 30 O -0.0556 -0.0816 0.0095 31 ASN 30 CB -0.0079 -0.0623 0.0493 32 ASN 30 CG -0.0349 -0.0253 -0.0499 33 ASN 30 OD1 0.0015 0.0297 -0.0842 34 ASN 30 ND2 -0.0987 -0.0556 -0.0960 35 ASN 30 H 0.1159 -0.0526 0.2174 36 ASN 30 HA 0.0967 0.0179 0.0759 37 ASN 30 HB2 0.0220 -0.0529 0.0786 38 ASN 30 HB3 -0.0540 -0.1188 0.0716 39 ASN 30 HD21 -0.1264 -0.1007 -0.0648 40 ASN 30 HD22 -0.1166 -0.0324 -0.1598 41 ALA 31 N 0.0153 -0.0126 -0.0027 42 ALA 31 CA 0.0149 -0.0004 -0.0106 43 ALA 31 C 0.0209 -0.0068 -0.0230 44 ALA 31 O 0.0258 -0.0079 -0.0358 45 ALA 31 CB 0.0138 0.0130 -0.0174 46 ALA 31 H 0.0195 -0.0226 -0.0073 47 ALA 31 HA 0.0108 0.0041 -0.0024 48 ALA 31 HB1 0.0133 0.0221 -0.0227 49 ALA 31 HB2 0.0178 0.0088 -0.0258 50 ALA 31 HB3 0.0095 0.0176 -0.0086 51 GLU 32 N 0.0079 -0.0147 -0.0004 52 GLU 32 CA 0.0097 -0.0096 0.0023 53 GLU 32 C 0.0173 0.0030 0.0077 54 GLU 32 O 0.0226 0.0086 0.0093 55 GLU 32 CB -0.0035 -0.0100 0.0074 56 GLU 32 CG -0.0124 -0.0032 0.0155 57 GLU 32 CD -0.0251 -0.0036 0.0203 58 GLU 32 OE1 -0.0256 0.0042 0.0257 59 GLU 32 OE2 -0.0347 -0.0117 0.0188 60 GLU 32 H -0.0006 -0.0149 0.0029 61 GLU 32 HA 0.0151 -0.0150 -0.0034 62 GLU 32 HB2 -0.0017 -0.0062 0.0091 63 GLU 32 HB3 -0.0084 -0.0191 0.0033 64 GLU 32 HG2 -0.0146 -0.0071 0.0138 65 GLU 32 HG3 -0.0074 0.0059 0.0195 66 PHE 33 N 0.0025 0.0127 0.0038 67 PHE 33 CA 0.0057 0.0172 0.0064 68 PHE 33 C 0.0124 0.0131 0.0057 69 PHE 33 O 0.0137 0.0066 0.0029 70 PHE 33 CB -0.0007 0.0195 0.0064 71 PHE 33 CG -0.0046 0.0133 0.0029 72 PHE 33 CD1 -0.0014 0.0096 0.0017 73 PHE 33 CD2 -0.0115 0.0113 0.0008 74 PHE 33 CE1 -0.0050 0.0040 -0.0015 75 PHE 33 CE2 -0.0151 0.0056 -0.0025 76 PHE 33 CZ -0.0119 0.0020 -0.0036 77 PHE 33 H -0.0007 0.0089 0.0015 78 PHE 33 HA 0.0076 0.0218 0.0089 79 PHE 33 HB2 0.0019 0.0222 0.0081 80 PHE 33 HB3 -0.0050 0.0230 0.0073 81 PHE 33 HD1 0.0039 0.0112 0.0033 82 PHE 33 HD2 -0.0140 0.0141 0.0017 83 PHE 33 HE1 -0.0025 0.0011 -0.0024 84 PHE 33 HE2 -0.0204 0.0041 -0.0041 85 PHE 33 HZ -0.0147 -0.0024 -0.0061 86 ASP 34 N -0.0019 0.0029 0.0057 87 ASP 34 CA 0.0004 0.0008 0.0059 88 ASP 34 C 0.0038 -0.0015 0.0043 89 ASP 34 O 0.0045 -0.0025 0.0052 90 ASP 34 CB 0.0001 -0.0004 0.0103 91 ASP 34 CG 0.0022 -0.0024 0.0107 92 ASP 34 OD1 0.0051 -0.0048 0.0103 93 ASP 34 OD2 0.0009 -0.0015 0.0113 94 ASP 34 H -0.0022 0.0024 0.0077 95 ASP 34 HA -0.0000 0.0018 0.0041 96 ASP 34 HB2 -0.0024 0.0012 0.0115 97 ASP 34 HB3 0.0008 -0.0016 0.0120 98 PRO 35 N 0.0142 0.0025 -0.0067 99 PRO 35 CA 0.0209 -0.0015 -0.0099 100 PRO 35 C 0.0268 -0.0069 -0.0044 101 PRO 35 O 0.0328 -0.0105 -0.0067 102 PRO 35 CB 0.0227 -0.0008 -0.0183 103 PRO 35 CG 0.0199 0.0008 -0.0167 104 PRO 35 CD 0.0133 0.0040 -0.0106 105 PRO 35 HA 0.0204 -0.0008 -0.0109 106 PRO 35 HB2 0.0284 -0.0043 -0.0200 107 PRO 35 HB3 0.0202 0.0021 -0.0230 108 PRO 35 HG2 0.0238 -0.0025 -0.0140 109 PRO 35 HG3 0.0188 0.0030 -0.0224 110 PRO 35 HD2 0.0129 0.0032 -0.0059 111 PRO 35 HD3 0.0087 0.0080 -0.0138 112 ASP 36 N -0.0105 -0.0648 0.0152 113 ASP 36 CA 0.0077 -0.0255 0.0109 114 ASP 36 C 0.0047 0.0148 0.0168 115 ASP 36 O 0.0002 0.0525 0.0231 116 ASP 36 CB 0.0520 -0.0322 -0.0109 117 ASP 36 CG 0.0731 0.0083 -0.0164 118 ASP 36 OD1 0.0650 0.0172 -0.0116 119 ASP 36 OD2 0.0985 0.0320 -0.0258 120 ASP 36 H 0.0048 -0.0793 0.0063 121 ASP 36 HA -0.0090 -0.0204 0.0194 122 ASP 36 HB2 0.0529 -0.0601 -0.0144 123 ASP 36 HB3 0.0682 -0.0401 -0.0195 124 LEU 37 N -0.0013 -0.0005 0.0154 125 LEU 37 CA -0.0014 0.0005 0.0157 126 LEU 37 C -0.0036 0.0003 0.0194 127 LEU 37 O -0.0049 -0.0026 0.0211 128 LEU 37 CB -0.0002 -0.0020 0.0131 129 LEU 37 CG 0.0022 -0.0012 0.0093 130 LEU 37 CD1 0.0030 0.0031 0.0087 131 LEU 37 CD2 0.0030 -0.0021 0.0077 132 LEU 37 H -0.0014 -0.0032 0.0149 133 LEU 37 HA -0.0007 0.0036 0.0150 134 LEU 37 HB2 -0.0007 -0.0051 0.0134 135 LEU 37 HB3 -0.0006 -0.0017 0.0140 136 LEU 37 HG 0.0028 -0.0030 0.0079 137 LEU 37 HD11 0.0046 0.0036 0.0060 138 LEU 37 HD12 0.0024 0.0051 0.0100 139 LEU 37 HD13 0.0025 0.0036 0.0096 140 LEU 37 HD21 0.0047 -0.0014 0.0050 141 LEU 37 HD22 0.0025 -0.0052 0.0079 142 LEU 37 HD23 0.0024 -0.0003 0.0091 143 PRO 38 N -0.0106 0.0041 0.0142 144 PRO 38 CA -0.0131 0.0048 0.0159 145 PRO 38 C -0.0108 0.0021 0.0157 146 PRO 38 O -0.0075 0.0020 0.0128 147 PRO 38 CB -0.0142 0.0096 0.0135 148 PRO 38 CG -0.0137 0.0115 0.0116 149 PRO 38 CD -0.0103 0.0081 0.0111 150 PRO 38 HA -0.0156 0.0042 0.0187 151 PRO 38 HB2 -0.0123 0.0100 0.0115 152 PRO 38 HB3 -0.0173 0.0111 0.0152 153 PRO 38 HG2 -0.0130 0.0143 0.0090 154 PRO 38 HG3 -0.0163 0.0124 0.0133 155 PRO 38 HD2 -0.0076 0.0082 0.0085 156 PRO 38 HD3 -0.0107 0.0083 0.0112 157 GLY 39 N -0.0100 0.0036 0.0163 158 GLY 39 CA -0.0061 0.0015 0.0162 159 GLY 39 C -0.0049 0.0015 0.0177 160 GLY 39 O -0.0023 -0.0004 0.0167 161 GLY 39 H -0.0106 0.0049 0.0184 162 GLY 39 HA2 -0.0043 0.0013 0.0180 163 GLY 39 HA3 -0.0057 -0.0001 0.0132 164 GLY 40 N -0.0032 0.0003 0.0196 165 GLY 40 CA -0.0037 -0.0000 0.0184 166 GLY 40 C -0.0042 -0.0004 0.0172 167 GLY 40 O -0.0046 -0.0008 0.0162 168 GLY 40 H -0.0027 0.0012 0.0198 169 GLY 40 HA2 -0.0034 0.0008 0.0180 170 GLY 40 HA3 -0.0040 -0.0008 0.0187 171 GLY 41 N -0.0061 0.0008 0.0154 172 GLY 41 CA -0.0070 -0.0002 0.0126 173 GLY 41 C -0.0065 -0.0036 0.0122 174 GLY 41 O -0.0071 -0.0049 0.0099 175 GLY 41 H -0.0058 0.0016 0.0166 176 GLY 41 HA2 -0.0074 0.0005 0.0119 177 GLY 41 HA3 -0.0076 0.0007 0.0113 178 LEU 42 N -0.0075 -0.0027 0.0143 179 LEU 42 CA -0.0051 -0.0075 0.0141 180 LEU 42 C -0.0044 -0.0101 0.0127 181 LEU 42 O -0.0026 -0.0142 0.0118 182 LEU 42 CB -0.0028 -0.0082 0.0189 183 LEU 42 CG -0.0032 -0.0058 0.0209 184 LEU 42 CD1 -0.0006 -0.0068 0.0257 185 LEU 42 CD2 -0.0038 -0.0071 0.0177 186 LEU 42 H -0.0072 -0.0010 0.0172 187 LEU 42 HA -0.0055 -0.0086 0.0117 188 LEU 42 HB2 -0.0023 -0.0071 0.0212 189 LEU 42 HB3 -0.0010 -0.0117 0.0187 190 LEU 42 HG -0.0049 -0.0023 0.0212 191 LEU 42 HD11 -0.0009 -0.0051 0.0270 192 LEU 42 HD12 0.0011 -0.0103 0.0255 193 LEU 42 HD13 -0.0003 -0.0056 0.0280 194 LEU 42 HD21 -0.0021 -0.0107 0.0173 195 LEU 42 HD22 -0.0040 -0.0054 0.0192 196 LEU 42 HD23 -0.0057 -0.0062 0.0144 197 HIS 43 N -0.0046 -0.0066 0.0024 198 HIS 43 CA -0.0043 -0.0073 0.0002 199 HIS 43 C -0.0063 -0.0064 -0.0023 200 HIS 43 O -0.0085 -0.0049 -0.0021 201 HIS 43 CB -0.0044 -0.0069 0.0016 202 HIS 43 CG -0.0026 -0.0076 0.0044 203 HIS 43 ND1 -0.0001 -0.0093 0.0044 204 HIS 43 CD2 -0.0030 -0.0067 0.0074 205 HIS 43 CE1 0.0010 -0.0094 0.0072 206 HIS 43 NE2 -0.0007 -0.0079 0.0090 207 HIS 43 H -0.0063 -0.0053 0.0032 208 HIS 43 HA -0.0024 -0.0087 -0.0007 209 HIS 43 HB2 -0.0063 -0.0055 0.0020 210 HIS 43 HB3 -0.0039 -0.0076 -0.0001 211 HIS 43 HD1 0.0008 -0.0103 0.0026 212 HIS 43 HD2 -0.0047 -0.0053 0.0082 213 HIS 43 HE1 0.0030 -0.0106 0.0078 214 HIS 43 HE2 -0.0003 -0.0077 0.0112 215 ARG 44 N -0.0151 -0.0048 -0.0041 216 ARG 44 CA -0.0156 -0.0022 -0.0075 217 ARG 44 C -0.0150 -0.0034 -0.0095 218 ARG 44 O -0.0139 -0.0068 -0.0095 219 ARG 44 CB -0.0150 -0.0027 -0.0108 220 ARG 44 CG -0.0152 -0.0028 -0.0094 221 ARG 44 CD -0.0145 -0.0037 -0.0129 222 ARG 44 NE -0.0145 -0.0041 -0.0117 223 ARG 44 CZ -0.0141 -0.0044 -0.0144 224 ARG 44 NH1 -0.0136 -0.0046 -0.0184 225 ARG 44 NH2 -0.0142 -0.0047 -0.0131 226 ARG 44 H -0.0142 -0.0076 -0.0044 227 ARG 44 HA -0.0166 0.0008 -0.0067 228 ARG 44 HB2 -0.0140 -0.0054 -0.0123 229 ARG 44 HB3 -0.0155 -0.0004 -0.0130 230 ARG 44 HG2 -0.0162 0.0000 -0.0082 231 ARG 44 HG3 -0.0147 -0.0050 -0.0070 232 ARG 44 HD2 -0.0135 -0.0064 -0.0142 233 ARG 44 HD3 -0.0150 -0.0014 -0.0152 234 ARG 44 HE -0.0149 -0.0040 -0.0088 235 ARG 44 HH11 -0.0135 -0.0044 -0.0195 236 ARG 44 HH12 -0.0133 -0.0049 -0.0204 237 ARG 44 HH21 -0.0145 -0.0046 -0.0102 238 ARG 44 HH22 -0.0139 -0.0049 -0.0151 239 CYS 45 N -0.0095 0.0056 -0.0067 240 CYS 45 CA -0.0103 0.0053 -0.0048 241 CYS 45 C -0.0109 0.0052 -0.0038 242 CYS 45 O -0.0098 0.0043 -0.0036 243 CYS 45 CB -0.0091 0.0039 -0.0039 244 CYS 45 SG -0.0100 0.0032 -0.0013 245 CYS 45 H -0.0084 0.0049 -0.0072 246 CYS 45 HA -0.0114 0.0061 -0.0048 247 CYS 45 HB2 -0.0089 0.0041 -0.0046 248 CYS 45 HB3 -0.0079 0.0031 -0.0042 249 LEU 46 N -0.0245 0.0096 0.0074 250 LEU 46 CA -0.0209 0.0089 0.0058 251 LEU 46 C -0.0143 0.0109 0.0124 252 LEU 46 O -0.0075 0.0100 0.0106 253 LEU 46 CB -0.0284 0.0090 0.0052 254 LEU 46 CG -0.0351 0.0070 -0.0018 255 LEU 46 CD1 -0.0426 0.0074 -0.0014 256 LEU 46 CD2 -0.0308 0.0040 -0.0103 257 LEU 46 H -0.0307 0.0103 0.0088 258 LEU 46 HA -0.0176 0.0068 -0.0001 259 LEU 46 HB2 -0.0318 0.0111 0.0110 260 LEU 46 HB3 -0.0256 0.0086 0.0041 261 LEU 46 HG -0.0376 0.0074 -0.0007 262 LEU 46 HD11 -0.0459 0.0095 0.0045 263 LEU 46 HD12 -0.0471 0.0059 -0.0065 264 LEU 46 HD13 -0.0400 0.0071 -0.0019 265 LEU 46 HD21 -0.0259 0.0037 -0.0107 266 LEU 46 HD22 -0.0278 0.0035 -0.0112 267 LEU 46 HD23 -0.0358 0.0026 -0.0150 268 ALA 47 N -0.0167 0.0265 0.0192 269 ALA 47 CA -0.0185 0.0228 0.0194 270 ALA 47 C -0.0200 0.0186 0.0187 271 ALA 47 O -0.0220 0.0153 0.0196 272 ALA 47 CB -0.0170 0.0223 0.0162 273 ALA 47 H -0.0148 0.0282 0.0170 274 ALA 47 HA -0.0199 0.0232 0.0224 275 ALA 47 HB1 -0.0184 0.0196 0.0165 276 ALA 47 HB2 -0.0156 0.0218 0.0131 277 ALA 47 HB3 -0.0160 0.0253 0.0167 278 CYS 48 N -0.0126 0.0076 0.0064 279 CYS 48 CA -0.0101 0.0045 0.0054 280 CYS 48 C -0.0097 0.0053 0.0040 281 CYS 48 O -0.0080 0.0028 0.0037 282 CYS 48 CB -0.0075 0.0031 0.0027 283 CYS 48 SG -0.0076 0.0013 0.0046 284 CYS 48 H -0.0129 0.0100 0.0046 285 CYS 48 HA -0.0103 0.0023 0.0080 286 CYS 48 HB2 -0.0072 0.0050 0.0001 287 CYS 48 HB3 -0.0057 0.0008 0.0020 288 ALA 49 N -0.0112 0.0057 -0.0025 289 ALA 49 CA -0.0100 0.0057 -0.0076 290 ALA 49 C -0.0072 0.0060 -0.0092 291 ALA 49 O -0.0046 0.0061 -0.0128 292 ALA 49 CB -0.0071 0.0060 -0.0084 293 ALA 49 H -0.0146 0.0054 -0.0017 294 ALA 49 HA -0.0132 0.0054 -0.0095 295 ALA 49 HB1 -0.0039 0.0064 -0.0065 296 ALA 49 HB2 -0.0092 0.0058 -0.0072 297 ALA 49 HB3 -0.0064 0.0060 -0.0122 298 ARG 50 N -0.0105 0.0052 -0.0082 299 ARG 50 CA -0.0072 0.0059 -0.0089 300 ARG 50 C -0.0072 0.0072 -0.0102 301 ARG 50 O -0.0090 0.0067 -0.0097 302 ARG 50 CB -0.0049 0.0038 -0.0069 303 ARG 50 CG -0.0046 0.0025 -0.0056 304 ARG 50 CD -0.0023 0.0005 -0.0037 305 ARG 50 NE -0.0020 -0.0009 -0.0024 306 ARG 50 CZ -0.0003 -0.0029 -0.0005 307 ARG 50 NH1 0.0014 -0.0036 0.0003 308 ARG 50 NH2 -0.0002 -0.0040 0.0006 309 ARG 50 H -0.0115 0.0040 -0.0070 310 ARG 50 HA -0.0064 0.0070 -0.0100 311 ARG 50 HB2 -0.0058 0.0027 -0.0058 312 ARG 50 HB3 -0.0026 0.0045 -0.0075 313 ARG 50 HG2 -0.0037 0.0036 -0.0067 314 ARG 50 HG3 -0.0069 0.0018 -0.0050 315 ARG 50 HD2 -0.0031 -0.0006 -0.0026 316 ARG 50 HD3 0.0000 0.0011 -0.0043 317 ARG 50 HE -0.0031 -0.0003 -0.0030 318 ARG 50 HH11 0.0014 -0.0028 -0.0005 319 ARG 50 HH12 0.0027 -0.0051 0.0017 320 ARG 50 HH21 -0.0014 -0.0034 0.0001 321 ARG 50 HH22 0.0010 -0.0055 0.0021 322 TYR 51 N -0.0083 0.0037 -0.0051 323 TYR 51 CA -0.0080 0.0019 -0.0025 324 TYR 51 C -0.0084 0.0028 0.0009 325 TYR 51 O -0.0091 0.0058 0.0017 326 TYR 51 CB -0.0082 0.0029 -0.0025 327 TYR 51 CG -0.0079 0.0023 -0.0059 328 TYR 51 CD1 -0.0084 0.0048 -0.0084 329 TYR 51 CD2 -0.0072 -0.0007 -0.0067 330 TYR 51 CE1 -0.0081 0.0044 -0.0115 331 TYR 51 CE2 -0.0070 -0.0012 -0.0098 332 TYR 51 CZ -0.0074 0.0014 -0.0122 333 TYR 51 OH -0.0071 0.0009 -0.0153 334 TYR 51 H -0.0088 0.0061 -0.0052 335 TYR 51 HA -0.0074 -0.0008 -0.0029 336 TYR 51 HB2 -0.0089 0.0055 -0.0019 337 TYR 51 HB3 -0.0080 0.0014 -0.0005 338 TYR 51 HD1 -0.0089 0.0072 -0.0079 339 TYR 51 HD2 -0.0069 -0.0027 -0.0048 340 TYR 51 HE1 -0.0085 0.0064 -0.0134 341 TYR 51 HE2 -0.0064 -0.0035 -0.0103 342 TYR 51 HH -0.0076 0.0030 -0.0158 343 PHE 52 N -0.0026 -0.0033 -0.0022 344 PHE 52 CA -0.0035 -0.0029 -0.0013 345 PHE 52 C -0.0039 -0.0039 -0.0002 346 PHE 52 O -0.0033 -0.0050 -0.0002 347 PHE 52 CB -0.0034 -0.0028 -0.0016 348 PHE 52 CG -0.0030 -0.0018 -0.0027 349 PHE 52 CD1 -0.0020 -0.0021 -0.0037 350 PHE 52 CD2 -0.0037 -0.0006 -0.0028 351 PHE 52 CE1 -0.0017 -0.0012 -0.0047 352 PHE 52 CE2 -0.0034 0.0003 -0.0038 353 PHE 52 CZ -0.0024 -0.0000 -0.0047 354 PHE 52 H -0.0020 -0.0040 -0.0023 355 PHE 52 HA -0.0040 -0.0021 -0.0013 356 PHE 52 HB2 -0.0028 -0.0036 -0.0016 357 PHE 52 HB3 -0.0041 -0.0025 -0.0010 358 PHE 52 HD1 -0.0015 -0.0030 -0.0036 359 PHE 52 HD2 -0.0045 -0.0004 -0.0021 360 PHE 52 HE1 -0.0009 -0.0014 -0.0054 361 PHE 52 HE2 -0.0039 0.0012 -0.0038 362 PHE 52 HZ -0.0021 0.0007 -0.0055 363 ILE 53 N -0.0077 -0.0111 0.0004 364 ILE 53 CA -0.0023 -0.0032 -0.0062 365 ILE 53 C 0.0002 0.0054 -0.0098 366 ILE 53 O 0.0016 0.0152 -0.0126 367 ILE 53 CB 0.0053 -0.0097 -0.0132 368 ILE 53 CG1 0.0097 -0.0176 -0.0168 369 ILE 53 CG2 0.0031 -0.0163 -0.0101 370 ILE 53 CD1 0.0174 -0.0241 -0.0239 371 ILE 53 H -0.0058 -0.0193 -0.0005 372 ILE 53 HA -0.0055 0.0016 -0.0035 373 ILE 53 HB 0.0091 -0.0032 -0.0180 374 ILE 53 HG12 0.0058 -0.0239 -0.0119 375 ILE 53 HG13 0.0112 -0.0125 -0.0190 376 ILE 53 HG21 -0.0012 -0.0224 -0.0049 377 ILE 53 HG22 0.0004 -0.0104 -0.0080 378 ILE 53 HG23 0.0085 -0.0209 -0.0151 379 ILE 53 HD11 0.0216 -0.0180 -0.0290 380 ILE 53 HD12 0.0201 -0.0296 -0.0259 381 ILE 53 HD13 0.0160 -0.0293 -0.0218 382 ASP 54 N -0.0019 -0.0117 -0.0090 383 ASP 54 CA -0.0051 -0.0101 -0.0094 384 ASP 54 C -0.0056 -0.0077 -0.0067 385 ASP 54 O -0.0038 -0.0071 -0.0044 386 ASP 54 CB -0.0068 -0.0100 -0.0107 387 ASP 54 CG -0.0101 -0.0086 -0.0115 388 ASP 54 OD1 -0.0116 -0.0094 -0.0138 389 ASP 54 OD2 -0.0114 -0.0065 -0.0098 390 ASP 54 H -0.0007 -0.0111 -0.0071 391 ASP 54 HA -0.0059 -0.0107 -0.0109 392 ASP 54 HB2 -0.0063 -0.0118 -0.0126 393 ASP 54 HB3 -0.0061 -0.0094 -0.0093 394 SER 55 N -0.0059 -0.0111 -0.0041 395 SER 55 CA -0.0056 -0.0120 -0.0050 396 SER 55 C -0.0064 -0.0094 -0.0026 397 SER 55 O -0.0056 -0.0082 -0.0038 398 SER 55 CB -0.0065 -0.0165 -0.0047 399 SER 55 OG -0.0063 -0.0175 -0.0055 400 SER 55 H -0.0068 -0.0133 -0.0032 401 SER 55 HA -0.0040 -0.0113 -0.0078 402 SER 55 HB2 -0.0058 -0.0181 -0.0067 403 SER 55 HB3 -0.0080 -0.0174 -0.0022 404 SER 55 HG -0.0074 -0.0172 -0.0033 405 THR 56 N -0.0106 -0.0158 -0.0047 406 THR 56 CA -0.0128 -0.0100 0.0007 407 THR 56 C -0.0070 -0.0036 0.0008 408 THR 56 O -0.0064 0.0014 0.0036 409 THR 56 CB -0.0180 -0.0106 0.0042 410 THR 56 OG1 -0.0229 -0.0170 0.0036 411 THR 56 CG2 -0.0210 -0.0051 0.0100 412 THR 56 H -0.0123 -0.0190 -0.0056 413 THR 56 HA -0.0148 -0.0099 0.0023 414 THR 56 HB -0.0156 -0.0100 0.0028 415 THR 56 HG1 -0.0213 -0.0200 0.0003 416 THR 56 HG21 -0.0245 -0.0055 0.0123 417 THR 56 HG22 -0.0232 -0.0055 0.0114 418 THR 56 HG23 -0.0172 -0.0003 0.0105 419 ASN 57 N -0.0035 -0.0041 -0.0031 420 ASN 57 CA 0.0007 -0.0025 -0.0021 421 ASN 57 C 0.0031 -0.0013 -0.0013 422 ASN 57 O 0.0053 0.0012 0.0010 423 ASN 57 CB 0.0035 -0.0045 -0.0047 424 ASN 57 CG 0.0025 -0.0046 -0.0046 425 ASN 57 OD1 0.0045 -0.0028 -0.0030 426 ASN 57 ND2 -0.0006 -0.0067 -0.0063 427 ASN 57 H -0.0038 -0.0063 -0.0054 428 ASN 57 HA 0.0002 -0.0005 -0.0000 429 ASN 57 HB2 0.0027 -0.0068 -0.0070 430 ASN 57 HB3 0.0069 -0.0039 -0.0045 431 ASN 57 HD21 -0.0022 -0.0082 -0.0076 432 ASN 57 HD22 -0.0012 -0.0068 -0.0063 433 LEU 58 N -0.0009 -0.0010 -0.0055 434 LEU 58 CA -0.0007 -0.0013 -0.0065 435 LEU 58 C -0.0011 -0.0016 -0.0058 436 LEU 58 O -0.0007 -0.0010 -0.0060 437 LEU 58 CB -0.0009 -0.0023 -0.0077 438 LEU 58 CG -0.0008 -0.0029 -0.0087 439 LEU 58 CD1 -0.0015 -0.0039 -0.0082 440 LEU 58 CD2 -0.0001 -0.0019 -0.0092 441 LEU 58 H -0.0012 -0.0016 -0.0055 442 LEU 58 HA -0.0001 -0.0004 -0.0069 443 LEU 58 HB2 -0.0005 -0.0019 -0.0082 444 LEU 58 HB3 -0.0014 -0.0031 -0.0072 445 LEU 58 HG -0.0008 -0.0034 -0.0096 446 LEU 58 HD11 -0.0015 -0.0043 -0.0090 447 LEU 58 HD12 -0.0016 -0.0035 -0.0073 448 LEU 58 HD13 -0.0020 -0.0047 -0.0080 449 LEU 58 HD21 -0.0001 -0.0014 -0.0084 450 LEU 58 HD22 -0.0001 -0.0023 -0.0100 451 LEU 58 HD23 0.0004 -0.0012 -0.0096 452 LYS 59 N 0.0008 -0.0010 -0.0049 453 LYS 59 CA -0.0003 0.0005 -0.0035 454 LYS 59 C -0.0004 0.0036 -0.0018 455 LYS 59 O 0.0001 0.0055 -0.0010 456 LYS 59 CB -0.0032 -0.0013 -0.0028 457 LYS 59 CG -0.0056 -0.0017 -0.0018 458 LYS 59 CD -0.0083 -0.0037 -0.0013 459 LYS 59 CE -0.0096 -0.0023 0.0001 460 LYS 59 NZ -0.0106 0.0003 0.0020 461 LYS 59 H -0.0003 -0.0028 -0.0052 462 LYS 59 HA 0.0013 0.0007 -0.0043 463 LYS 59 HB2 -0.0038 -0.0002 -0.0019 464 LYS 59 HB3 -0.0029 -0.0034 -0.0041 465 LYS 59 HG2 -0.0050 -0.0027 -0.0027 466 LYS 59 HG3 -0.0061 0.0003 -0.0005 467 LYS 59 HD2 -0.0078 -0.0056 -0.0026 468 LYS 59 HD3 -0.0099 -0.0042 -0.0007 469 LYS 59 HE2 -0.0080 -0.0017 -0.0005 470 LYS 59 HE3 -0.0114 -0.0039 0.0002 471 LYS 59 HZ1 -0.0122 -0.0002 0.0026 472 LYS 59 HZ2 -0.0114 0.0012 0.0029 473 LYS 59 HZ3 -0.0089 0.0019 0.0020 474 THR 60 N 0.0009 0.0016 0.0058 475 THR 60 CA 0.0037 0.0059 0.0113 476 THR 60 C 0.0064 0.0097 0.0077 477 THR 60 O 0.0076 0.0115 0.0113 478 THR 60 CB 0.0065 0.0101 0.0146 479 THR 60 OG1 0.0040 0.0064 0.0181 480 THR 60 CG2 0.0096 0.0146 0.0203 481 THR 60 H 0.0012 0.0020 0.0043 482 THR 60 HA 0.0018 0.0032 0.0157 483 THR 60 HB 0.0083 0.0125 0.0099 484 THR 60 HG1 0.0026 0.0043 0.0143 485 THR 60 HG21 0.0115 0.0175 0.0224 486 THR 60 HG22 0.0078 0.0121 0.0248 487 THR 60 HG23 0.0115 0.0174 0.0177 488 HIS 61 N 0.0063 0.0047 0.0003 489 HIS 61 CA 0.0067 0.0051 -0.0001 490 HIS 61 C 0.0043 0.0034 0.0014 491 HIS 61 O 0.0050 0.0032 0.0025 492 HIS 61 CB 0.0067 0.0065 -0.0037 493 HIS 61 CG 0.0060 0.0066 -0.0045 494 HIS 61 ND1 0.0080 0.0071 -0.0037 495 HIS 61 CD2 0.0033 0.0060 -0.0060 496 HIS 61 CE1 0.0066 0.0068 -0.0045 497 HIS 61 NE2 0.0038 0.0061 -0.0059 498 HIS 61 H 0.0057 0.0053 -0.0016 499 HIS 61 HA 0.0090 0.0056 0.0012 500 HIS 61 HB2 0.0090 0.0078 -0.0043 501 HIS 61 HB3 0.0049 0.0063 -0.0051 502 HIS 61 HD1 0.0102 0.0076 -0.0025 503 HIS 61 HD2 0.0011 0.0054 -0.0070 504 HIS 61 HE1 0.0072 0.0070 -0.0042 505 PHE 62 N 0.0044 0.0033 0.0004 506 PHE 62 CA 0.0025 0.0018 0.0012 507 PHE 62 C 0.0029 0.0008 0.0046 508 PHE 62 O 0.0014 -0.0006 0.0057 509 PHE 62 CB -0.0004 0.0003 -0.0001 510 PHE 62 CG -0.0009 0.0011 -0.0034 511 PHE 62 CD1 -0.0003 0.0023 -0.0054 512 PHE 62 CD2 -0.0021 0.0007 -0.0044 513 PHE 62 CE1 -0.0008 0.0030 -0.0085 514 PHE 62 CE2 -0.0026 0.0014 -0.0074 515 PHE 62 CZ -0.0020 0.0026 -0.0095 516 PHE 62 H 0.0039 0.0031 -0.0000 517 PHE 62 HA 0.0030 0.0024 0.0004 518 PHE 62 HB2 -0.0011 -0.0006 0.0011 519 PHE 62 HB3 -0.0014 -0.0005 0.0002 520 PHE 62 HD1 0.0006 0.0026 -0.0046 521 PHE 62 HD2 -0.0026 -0.0002 -0.0028 522 PHE 62 HE1 -0.0003 0.0039 -0.0100 523 PHE 62 HE2 -0.0036 0.0011 -0.0081 524 PHE 62 HZ -0.0024 0.0031 -0.0118 525 ARG 63 N 0.0013 0.0006 0.0243 526 ARG 63 CA 0.0051 -0.0060 0.0194 527 ARG 63 C 0.0016 -0.0175 0.0242 528 ARG 63 O 0.0043 -0.0245 0.0209 529 ARG 63 CB 0.0127 -0.0076 0.0095 530 ARG 63 CG 0.0166 0.0035 0.0041 531 ARG 63 CD 0.0242 0.0016 -0.0057 532 ARG 63 NE 0.0277 -0.0065 -0.0103 533 ARG 63 CZ 0.0346 -0.0084 -0.0192 534 ARG 63 NH1 0.0388 -0.0022 -0.0248 535 ARG 63 NH2 0.0372 -0.0163 -0.0225 536 ARG 63 H 0.0031 0.0012 0.0219 537 ARG 63 HA 0.0048 -0.0011 0.0197 538 ARG 63 HB2 0.0130 -0.0114 0.0092 539 ARG 63 HB3 0.0151 -0.0134 0.0064 540 ARG 63 HG2 0.0164 0.0072 0.0043 541 ARG 63 HG3 0.0142 0.0094 0.0072 542 ARG 63 HD2 0.0267 0.0098 -0.0093 543 ARG 63 HD3 0.0244 -0.0016 -0.0059 544 ARG 63 HE 0.0247 -0.0109 -0.0062 545 ARG 63 HH11 0.0370 0.0040 -0.0226 546 ARG 63 HH12 0.0440 -0.0035 -0.0316 547 ARG 63 HH21 0.0342 -0.0210 -0.0184 548 ARG 63 HH22 0.0424 -0.0181 -0.0291 549 SER 64 N 0.0128 0.0032 0.0277 550 SER 64 CA 0.0152 0.0067 0.0266 551 SER 64 C 0.0109 0.0008 0.0247 552 SER 64 O 0.0084 -0.0020 0.0174 553 SER 64 CB 0.0185 0.0121 0.0187 554 SER 64 OG 0.0217 0.0167 0.0190 555 SER 64 H 0.0123 0.0030 0.0225 556 SER 64 HA 0.0176 0.0095 0.0325 557 SER 64 HB2 0.0160 0.0091 0.0127 558 SER 64 HB3 0.0209 0.0155 0.0186 559 SER 64 HG 0.0245 0.0201 0.0236 560 LYS 65 N 0.0106 0.0174 0.0666 561 LYS 65 CA 0.0236 -0.0059 0.0407 562 LYS 65 C 0.0120 -0.0015 0.0097 563 LYS 65 O 0.0229 -0.0192 -0.0059 564 LYS 65 CB 0.0326 -0.0191 0.0325 565 LYS 65 CG 0.0155 -0.0013 0.0240 566 LYS 65 CD -0.0023 0.0103 -0.0077 567 LYS 65 CE -0.0186 0.0276 -0.0145 568 LYS 65 NZ -0.0367 0.0403 -0.0442 569 LYS 65 H 0.0063 0.0248 0.0740 570 LYS 65 HA 0.0378 -0.0196 0.0518 571 LYS 65 HB2 0.0400 -0.0344 0.0112 572 LYS 65 HB3 0.0456 -0.0284 0.0532 573 LYS 65 HG2 0.0243 -0.0127 0.0212 574 LYS 65 HG3 0.0074 0.0145 0.0446 575 LYS 65 HD2 -0.0113 0.0217 -0.0054 576 LYS 65 HD3 0.0060 -0.0058 -0.0281 577 LYS 65 HE2 -0.0095 0.0156 -0.0186 578 LYS 65 HE3 -0.0256 0.0425 0.0070 579 LYS 65 HZ1 -0.0306 0.0266 -0.0655 580 LYS 65 HZ2 -0.0463 0.0527 -0.0411 581 LYS 65 HZ3 -0.0473 0.0516 -0.0485 582 ASP 66 N 0.0124 -0.0001 0.0163 583 ASP 66 CA 0.0128 0.0017 0.0102 584 ASP 66 C 0.0134 -0.0002 0.0071 585 ASP 66 O 0.0141 -0.0013 0.0019 586 ASP 66 CB 0.0121 0.0083 0.0097 587 ASP 66 CG 0.0125 0.0104 0.0035 588 ASP 66 OD1 0.0127 0.0107 0.0017 589 ASP 66 OD2 0.0127 0.0119 0.0003 590 ASP 66 H 0.0117 0.0029 0.0194 591 ASP 66 HA 0.0133 -0.0004 0.0081 592 ASP 66 HB2 0.0117 0.0096 0.0125 593 ASP 66 HB3 0.0117 0.0103 0.0112 594 HIS 67 N 0.0087 -0.0014 -0.0010 595 HIS 67 CA 0.0079 -0.0007 -0.0032 596 HIS 67 C 0.0062 -0.0030 -0.0040 597 HIS 67 O 0.0050 -0.0032 -0.0062 598 HIS 67 CB 0.0090 0.0007 -0.0026 599 HIS 67 CG 0.0084 0.0016 -0.0047 600 HIS 67 ND1 0.0076 0.0025 -0.0071 601 HIS 67 CD2 0.0090 0.0025 -0.0045 602 HIS 67 CE1 0.0078 0.0040 -0.0084 603 HIS 67 NE2 0.0086 0.0041 -0.0069 604 HIS 67 H 0.0097 -0.0010 0.0007 605 HIS 67 HA 0.0077 0.0005 -0.0048 606 HIS 67 HB2 0.0102 0.0024 -0.0021 607 HIS 67 HB3 0.0091 -0.0005 -0.0011 608 HIS 67 HD1 0.0071 0.0021 -0.0078 609 HIS 67 HD2 0.0094 0.0017 -0.0029 610 HIS 67 HE1 0.0073 0.0049 -0.0103 611 LYS 68 N 0.0079 -0.0011 -0.0012 612 LYS 68 CA 0.0048 -0.0036 -0.0020 613 LYS 68 C 0.0040 -0.0041 -0.0012 614 LYS 68 O 0.0022 -0.0057 -0.0030 615 LYS 68 CB 0.0028 -0.0048 0.0004 616 LYS 68 CG 0.0038 -0.0042 -0.0001 617 LYS 68 CD 0.0018 -0.0055 0.0025 618 LYS 68 CE 0.0021 -0.0047 0.0067 619 LYS 68 NZ 0.0003 -0.0058 0.0092 620 LYS 68 H 0.0083 -0.0005 0.0010 621 LYS 68 HA 0.0045 -0.0041 -0.0049 622 LYS 68 HB2 0.0030 -0.0044 0.0034 623 LYS 68 HB3 0.0005 -0.0067 -0.0003 624 LYS 68 HG2 0.0039 -0.0044 -0.0031 625 LYS 68 HG3 0.0061 -0.0023 0.0006 626 LYS 68 HD2 -0.0006 -0.0074 0.0019 627 LYS 68 HD3 0.0024 -0.0050 0.0020 628 LYS 68 HE2 0.0045 -0.0028 0.0073 629 LYS 68 HE3 0.0014 -0.0052 0.0073 630 LYS 68 HZ1 -0.0020 -0.0077 0.0088 631 LYS 68 HZ2 0.0007 -0.0052 0.0121 632 LYS 68 HZ3 0.0011 -0.0053 0.0087 633 LYS 69 N 0.0117 -0.0083 -0.0015 634 LYS 69 CA 0.0122 -0.0080 -0.0048 635 LYS 69 C 0.0126 -0.0074 -0.0078 636 LYS 69 O 0.0137 -0.0091 -0.0105 637 LYS 69 CB 0.0111 -0.0050 -0.0047 638 LYS 69 CG 0.0112 -0.0036 -0.0081 639 LYS 69 CD 0.0099 -0.0004 -0.0072 640 LYS 69 CE 0.0098 0.0016 -0.0104 641 LYS 69 NZ 0.0084 0.0047 -0.0092 642 LYS 69 H 0.0108 -0.0067 0.0003 643 LYS 69 HA 0.0131 -0.0102 -0.0052 644 LYS 69 HB2 0.0111 -0.0057 -0.0030 645 LYS 69 HB3 0.0102 -0.0031 -0.0034 646 LYS 69 HG2 0.0113 -0.0030 -0.0097 647 LYS 69 HG3 0.0121 -0.0053 -0.0092 648 LYS 69 HD2 0.0099 -0.0011 -0.0055 649 LYS 69 HD3 0.0091 0.0012 -0.0058 650 LYS 69 HE2 0.0099 0.0022 -0.0122 651 LYS 69 HE3 0.0105 0.0001 -0.0116 652 LYS 69 HZ1 0.0083 0.0062 -0.0113 653 LYS 69 HZ2 0.0077 0.0061 -0.0079 654 LYS 69 HZ3 0.0083 0.0041 -0.0074 655 ARG 70 N 0.0050 -0.0018 -0.0126 656 ARG 70 CA 0.0069 -0.0054 -0.0033 657 ARG 70 C -0.0010 0.0061 -0.0058 658 ARG 70 O -0.0038 0.0090 0.0054 659 ARG 70 CB 0.0170 -0.0192 -0.0088 660 ARG 70 CG 0.0200 -0.0243 0.0018 661 ARG 70 CD 0.0200 -0.0262 0.0204 662 ARG 70 NE 0.0224 -0.0305 0.0310 663 ARG 70 CZ 0.0192 -0.0274 0.0473 664 ARG 70 NH1 0.0133 -0.0198 0.0549 665 ARG 70 NH2 0.0218 -0.0319 0.0558 666 ARG 70 H 0.0095 -0.0072 -0.0226 667 ARG 70 HA 0.0067 -0.0063 0.0100 668 ARG 70 HB2 0.0225 -0.0269 -0.0089 669 ARG 70 HB3 0.0167 -0.0176 -0.0217 670 ARG 70 HG2 0.0272 -0.0342 -0.0028 671 ARG 70 HG3 0.0148 -0.0169 0.0006 672 ARG 70 HD2 0.0129 -0.0164 0.0248 673 ARG 70 HD3 0.0254 -0.0338 0.0216 674 ARG 70 HE 0.0268 -0.0362 0.0255 675 ARG 70 HH11 0.0111 -0.0161 0.0490 676 ARG 70 HH12 0.0108 -0.0173 0.0671 677 ARG 70 HH21 0.0262 -0.0377 0.0504 678 ARG 70 HH22 0.0196 -0.0299 0.0681 679 LEU 71 N -0.0020 0.0028 -0.0085 680 LEU 71 CA -0.0019 0.0041 -0.0082 681 LEU 71 C -0.0021 0.0035 -0.0083 682 LEU 71 O -0.0030 0.0042 -0.0080 683 LEU 71 CB -0.0003 0.0050 -0.0081 684 LEU 71 CG 0.0002 0.0057 -0.0079 685 LEU 71 CD1 0.0018 0.0066 -0.0078 686 LEU 71 CD2 -0.0012 0.0067 -0.0074 687 LEU 71 H -0.0009 0.0025 -0.0087 688 LEU 71 HA -0.0029 0.0049 -0.0078 689 LEU 71 HB2 0.0007 0.0042 -0.0084 690 LEU 71 HB3 -0.0003 0.0059 -0.0078 691 LEU 71 HG 0.0003 0.0047 -0.0082 692 LEU 71 HD11 0.0017 0.0076 -0.0075 693 LEU 71 HD12 0.0027 0.0059 -0.0081 694 LEU 71 HD13 0.0021 0.0071 -0.0077 695 LEU 71 HD21 -0.0023 0.0060 -0.0075 696 LEU 71 HD22 -0.0014 0.0076 -0.0071 697 LEU 71 HD23 -0.0008 0.0072 -0.0073 698 LYS 72 N 0.0055 0.0141 -0.0116 699 LYS 72 CA -0.0002 0.0054 -0.0111 700 LYS 72 C -0.0077 0.0038 -0.0154 701 LYS 72 O -0.0148 0.0004 -0.0187 702 LYS 72 CB 0.0043 -0.0021 -0.0042 703 LYS 72 CG -0.0010 -0.0115 -0.0030 704 LYS 72 CD 0.0041 -0.0184 0.0040 705 LYS 72 CE -0.0011 -0.0278 0.0052 706 LYS 72 NZ 0.0039 -0.0346 0.0120 707 LYS 72 H 0.0112 0.0144 -0.0078 708 LYS 72 HA -0.0025 0.0054 -0.0127 709 LYS 72 HB2 0.0096 -0.0007 -0.0012 710 LYS 72 HB3 0.0066 -0.0019 -0.0027 711 LYS 72 HG2 -0.0059 -0.0132 -0.0056 712 LYS 72 HG3 -0.0036 -0.0117 -0.0048 713 LYS 72 HD2 0.0092 -0.0166 0.0066 714 LYS 72 HD3 0.0067 -0.0183 0.0057 715 LYS 72 HE2 -0.0060 -0.0297 0.0027 716 LYS 72 HE3 -0.0039 -0.0278 0.0032 717 LYS 72 HZ1 0.0066 -0.0348 0.0140 718 LYS 72 HZ2 0.0086 -0.0330 0.0145 719 LYS 72 HZ3 0.0001 -0.0410 0.0127 720 GLN 73 N -0.0092 -0.0005 -0.0049 721 GLN 73 CA -0.0078 -0.0009 -0.0019 722 GLN 73 C -0.0095 0.0007 -0.0131 723 GLN 73 O -0.0154 0.0002 -0.0127 724 GLN 73 CB 0.0047 -0.0009 0.0039 725 GLN 73 CG 0.0071 -0.0025 0.0157 726 GLN 73 CD 0.0198 -0.0024 0.0208 727 GLN 73 OE1 0.0286 -0.0007 0.0141 728 GLN 73 NE2 0.0210 -0.0042 0.0326 729 GLN 73 H -0.0021 -0.0001 -0.0044 730 GLN 73 HA -0.0148 -0.0024 0.0046 731 GLN 73 HB2 0.0117 0.0006 -0.0025 732 GLN 73 HB3 0.0056 -0.0011 0.0058 733 GLN 73 HG2 0.0005 -0.0040 0.0223 734 GLN 73 HG3 0.0059 -0.0024 0.0139 735 GLN 73 HE21 0.0137 -0.0054 0.0373 736 GLN 73 HE22 0.0291 -0.0042 0.0365 737 LEU 74 N -0.0261 -0.0076 -0.0160 738 LEU 74 CA -0.0359 0.0066 -0.0139 739 LEU 74 C -0.0337 0.0131 -0.0122 740 LEU 74 O -0.0431 0.0231 -0.0110 741 LEU 74 CB -0.0323 0.0189 -0.0107 742 LEU 74 CG -0.0429 0.0340 -0.0085 743 LEU 74 CD1 -0.0604 0.0301 -0.0115 744 LEU 74 CD2 -0.0375 0.0449 -0.0053 745 LEU 74 H -0.0162 -0.0067 -0.0146 746 LEU 74 HA -0.0482 0.0034 -0.0161 747 LEU 74 HB2 -0.0326 0.0134 -0.0120 748 LEU 74 HB3 -0.0202 0.0219 -0.0085 749 LEU 74 HG -0.0417 0.0400 -0.0070 750 LEU 74 HD11 -0.0675 0.0410 -0.0098 751 LEU 74 HD12 -0.0619 0.0239 -0.0131 752 LEU 74 HD13 -0.0644 0.0230 -0.0136 753 LEU 74 HD21 -0.0385 0.0391 -0.0068 754 LEU 74 HD22 -0.0450 0.0555 -0.0038 755 LEU 74 HD23 -0.0252 0.0480 -0.0031 756 SER 75 N 0.0119 0.0094 -0.0233 757 SER 75 CA 0.0534 0.0034 -0.0065 758 SER 75 C 0.0357 -0.0370 0.0330 759 SER 75 O 0.0703 -0.0529 0.0589 760 SER 75 CB 0.1148 0.0093 0.0025 761 SER 75 OG 0.1562 0.0061 0.0163 762 SER 75 H -0.0148 0.0269 -0.0491 763 SER 75 HA 0.0515 0.0256 -0.0311 764 SER 75 HB2 0.1249 0.0382 -0.0263 765 SER 75 HB3 0.1164 -0.0128 0.0270 766 SER 75 HG 0.1874 0.0277 0.0008 767 VAL 76 N -0.0009 0.0052 0.0015 768 VAL 76 CA -0.0016 0.0052 0.0105 769 VAL 76 C 0.0036 0.0003 0.0154 770 VAL 76 O 0.0074 -0.0032 0.0195 771 VAL 76 CB -0.0083 0.0107 0.0143 772 VAL 76 CG1 -0.0090 0.0107 0.0237 773 VAL 76 CG2 -0.0136 0.0157 0.0096 774 VAL 76 H -0.0042 0.0082 -0.0013 775 VAL 76 HA -0.0012 0.0048 0.0112 776 VAL 76 HB -0.0086 0.0111 0.0133 777 VAL 76 HG11 -0.0136 0.0146 0.0261 778 VAL 76 HG12 -0.0085 0.0102 0.0246 779 VAL 76 HG13 -0.0053 0.0073 0.0270 780 VAL 76 HG21 -0.0182 0.0195 0.0122 781 VAL 76 HG22 -0.0131 0.0157 0.0030 782 VAL 76 HG23 -0.0132 0.0153 0.0103 783 GLU 77 N -0.0015 -0.0013 -0.0040 784 GLU 77 CA -0.0014 -0.0014 -0.0040 785 GLU 77 C -0.0011 0.0010 -0.0063 786 GLU 77 O -0.0034 0.0023 -0.0075 787 GLU 77 CB -0.0042 -0.0027 -0.0027 788 GLU 77 CG -0.0074 -0.0019 -0.0034 789 GLU 77 CD -0.0101 -0.0031 -0.0021 790 GLU 77 OE1 -0.0106 -0.0051 -0.0001 791 GLU 77 OE2 -0.0116 -0.0021 -0.0030 792 GLU 77 H -0.0027 -0.0001 -0.0052 793 GLU 77 HA 0.0008 -0.0023 -0.0031 794 GLU 77 HB2 -0.0041 -0.0024 -0.0029 795 GLU 77 HB3 -0.0039 -0.0044 -0.0009 796 GLU 77 HG2 -0.0076 -0.0022 -0.0031 797 GLU 77 HG3 -0.0077 -0.0001 -0.0051 798 PRO 78 N 0.0012 -0.0060 -0.0078 799 PRO 78 CA -0.0009 0.0062 -0.0095 800 PRO 78 C -0.0127 0.0062 -0.0111 801 PRO 78 O -0.0145 -0.0011 -0.0105 802 PRO 78 CB 0.0097 0.0087 -0.0084 803 PRO 78 CG 0.0188 -0.0005 -0.0060 804 PRO 78 CD 0.0118 -0.0113 -0.0057 805 PRO 78 HA -0.0011 0.0127 -0.0103 806 PRO 78 HB2 0.0067 0.0077 -0.0087 807 PRO 78 HB3 0.0131 0.0177 -0.0089 808 PRO 78 HG2 0.0240 -0.0027 -0.0051 809 PRO 78 HG3 0.0246 0.0029 -0.0056 810 PRO 78 HD2 0.0092 -0.0170 -0.0054 811 PRO 78 HD3 0.0169 -0.0162 -0.0045 812 TYR 79 N -0.0149 -0.0005 -0.0138 813 TYR 79 CA -0.0108 0.0007 -0.0186 814 TYR 79 C -0.0074 0.0018 -0.0226 815 TYR 79 O -0.0077 0.0071 -0.0242 816 TYR 79 CB -0.0119 0.0061 -0.0195 817 TYR 79 CG -0.0146 0.0046 -0.0160 818 TYR 79 CD1 -0.0194 0.0062 -0.0115 819 TYR 79 CD2 -0.0123 0.0015 -0.0173 820 TYR 79 CE1 -0.0218 0.0047 -0.0084 821 TYR 79 CE2 -0.0148 0.0001 -0.0142 822 TYR 79 CZ -0.0195 0.0017 -0.0097 823 TYR 79 OH -0.0220 0.0002 -0.0066 824 TYR 79 H -0.0153 -0.0048 -0.0118 825 TYR 79 HA -0.0090 -0.0037 -0.0188 826 TYR 79 HB2 -0.0139 0.0104 -0.0189 827 TYR 79 HB3 -0.0086 0.0068 -0.0232 828 TYR 79 HD1 -0.0212 0.0085 -0.0105 829 TYR 79 HD2 -0.0086 0.0003 -0.0208 830 TYR 79 HE1 -0.0256 0.0060 -0.0049 831 TYR 79 HE2 -0.0129 -0.0023 -0.0152 832 TYR 79 HH -0.0205 -0.0041 -0.0065 833 SER 80 N -0.0153 0.0006 -0.0081 834 SER 80 CA -0.0146 0.0010 -0.0086 835 SER 80 C -0.0141 0.0009 -0.0082 836 SER 80 O -0.0145 0.0006 -0.0077 837 SER 80 CB -0.0138 0.0011 -0.0085 838 SER 80 OG -0.0131 0.0016 -0.0090 839 SER 80 H -0.0152 0.0003 -0.0075 840 SER 80 HA -0.0148 0.0013 -0.0092 841 SER 80 HB2 -0.0142 0.0011 -0.0087 842 SER 80 HB3 -0.0136 0.0008 -0.0078 843 SER 80 HG -0.0133 0.0018 -0.0096 844 GLN 81 N -0.0118 0.0027 -0.0023 845 GLN 81 CA -0.0096 0.0027 -0.0011 846 GLN 81 C -0.0088 0.0007 -0.0000 847 GLN 81 O -0.0095 0.0002 -0.0003 848 GLN 81 CB -0.0081 0.0050 -0.0011 849 GLN 81 CG -0.0059 0.0051 0.0000 850 GLN 81 CD -0.0043 0.0073 0.0001 851 GLN 81 OE1 -0.0045 0.0083 -0.0003 852 GLN 81 NE2 -0.0028 0.0080 0.0007 853 GLN 81 H -0.0123 0.0040 -0.0030 854 GLN 81 HA -0.0095 0.0023 -0.0009 855 GLN 81 HB2 -0.0089 0.0064 -0.0020 856 GLN 81 HB3 -0.0080 0.0053 -0.0012 857 GLN 81 HG2 -0.0052 0.0036 0.0009 858 GLN 81 HG3 -0.0060 0.0050 0.0000 859 GLN 81 HE21 -0.0028 0.0071 0.0010 860 GLN 81 HE22 -0.0018 0.0094 0.0007 861 GLU 82 N -0.0053 0.0043 -0.0026 862 GLU 82 CA -0.0041 0.0027 0.0020 863 GLU 82 C -0.0083 0.0012 0.0048 864 GLU 82 O -0.0082 -0.0002 0.0087 865 GLU 82 CB 0.0005 0.0025 0.0036 866 GLU 82 CG 0.0021 0.0010 0.0082 867 GLU 82 CD 0.0067 0.0010 0.0094 868 GLU 82 OE1 0.0069 0.0006 0.0103 869 GLU 82 OE2 0.0102 0.0013 0.0095 870 GLU 82 H -0.0062 0.0050 -0.0046 871 GLU 82 HA -0.0038 0.0028 0.0019 872 GLU 82 HB2 0.0032 0.0036 0.0015 873 GLU 82 HB3 0.0002 0.0026 0.0034 874 GLU 82 HG2 -0.0005 -0.0001 0.0104 875 GLU 82 HG3 0.0023 0.0009 0.0085 876 GLU 83 N -0.0019 -0.0027 -0.0112 877 GLU 83 CA 0.0033 -0.0071 -0.0175 878 GLU 83 C 0.0126 -0.0077 -0.0121 879 GLU 83 O 0.0208 -0.0112 -0.0141 880 GLU 83 CB -0.0036 -0.0071 -0.0227 881 GLU 83 CG 0.0011 -0.0115 -0.0296 882 GLU 83 CD -0.0063 -0.0116 -0.0351 883 GLU 83 OE1 -0.0094 -0.0089 -0.0312 884 GLU 83 OE2 -0.0093 -0.0143 -0.0436 885 GLU 83 H -0.0036 0.0003 -0.0053 886 GLU 83 HA 0.0057 -0.0101 -0.0228 887 GLU 83 HB2 -0.0098 -0.0068 -0.0266 888 GLU 83 HB3 -0.0063 -0.0040 -0.0174 889 GLU 83 HG2 0.0067 -0.0116 -0.0256 890 GLU 83 HG3 0.0045 -0.0147 -0.0345 891 ALA 84 N 0.0026 -0.0023 -0.0144 892 ALA 84 CA 0.0088 -0.0022 -0.0101 893 ALA 84 C 0.0116 0.0011 -0.0026 894 ALA 84 O 0.0151 0.0029 0.0026 895 ALA 84 CB 0.0059 -0.0006 -0.0095 896 ALA 84 H -0.0027 0.0005 -0.0136 897 ALA 84 HA 0.0136 -0.0060 -0.0128 898 ALA 84 HB1 0.0104 -0.0006 -0.0062 899 ALA 84 HB2 0.0008 0.0030 -0.0070 900 ALA 84 HB3 0.0044 -0.0033 -0.0148 901 GLU 85 N 0.0027 -0.0020 -0.0034 902 GLU 85 CA 0.0020 -0.0015 0.0001 903 GLU 85 C -0.0001 -0.0003 -0.0012 904 GLU 85 O -0.0032 0.0013 -0.0019 905 GLU 85 CB 0.0001 -0.0003 0.0028 906 GLU 85 CG -0.0003 -0.0000 0.0069 907 GLU 85 CD -0.0028 0.0014 0.0074 908 GLU 85 OE1 -0.0059 0.0031 0.0079 909 GLU 85 OE2 -0.0017 0.0008 0.0074 910 GLU 85 H 0.0016 -0.0014 -0.0057 911 GLU 85 HA 0.0043 -0.0028 0.0015 912 GLU 85 HB2 0.0013 -0.0010 0.0029 913 GLU 85 HB3 -0.0025 0.0010 0.0016 914 GLU 85 HG2 0.0022 -0.0014 0.0073 915 GLU 85 HG3 -0.0008 0.0003 0.0088 916 ARG 86 N 0.0019 -0.0024 -0.0013 917 ARG 86 CA 0.0023 -0.0026 -0.0009 918 ARG 86 C 0.0021 -0.0025 -0.0016 919 ARG 86 O 0.0014 -0.0022 -0.0022 920 ARG 86 CB 0.0021 -0.0022 0.0004 921 ARG 86 CG 0.0010 -0.0016 0.0006 922 ARG 86 CD 0.0003 -0.0012 0.0000 923 ARG 86 NE -0.0008 -0.0006 0.0002 924 ARG 86 CZ -0.0016 -0.0002 -0.0004 925 ARG 86 NH1 -0.0015 -0.0003 -0.0012 926 ARG 86 NH2 -0.0025 0.0004 -0.0002 927 ARG 86 H 0.0012 -0.0020 -0.0015 928 ARG 86 HA 0.0031 -0.0030 -0.0009 929 ARG 86 HB2 0.0023 -0.0023 0.0006 930 ARG 86 HB3 0.0025 -0.0024 0.0009 931 ARG 86 HG2 0.0009 -0.0014 0.0015 932 ARG 86 HG3 0.0008 -0.0015 0.0004 933 ARG 86 HD2 0.0004 -0.0014 -0.0009 934 ARG 86 HD3 0.0004 -0.0013 0.0003 935 ARG 86 HE -0.0008 -0.0004 0.0008 936 ARG 86 HH11 -0.0009 -0.0007 -0.0014 937 ARG 86 HH12 -0.0021 -0.0000 -0.0016 938 ARG 86 HH21 -0.0026 0.0005 0.0005 939 ARG 86 HH22 -0.0031 0.0007 -0.0006 940 ALA 87 N -0.0038 0.0018 0.0010 941 ALA 87 CA -0.0033 0.0015 -0.0026 942 ALA 87 C -0.0045 0.0022 0.0027 943 ALA 87 O -0.0016 0.0006 0.0026 944 ALA 87 CB 0.0032 -0.0021 -0.0056 945 ALA 87 H -0.0003 -0.0001 0.0040 946 ALA 87 HA -0.0066 0.0032 -0.0068 947 ALA 87 HB1 0.0066 -0.0038 -0.0014 948 ALA 87 HB2 0.0040 -0.0025 -0.0093 949 ALA 87 HB3 0.0037 -0.0023 -0.0082 950 ALA 88 N -0.0051 0.0014 -0.0023 951 ALA 88 CA -0.0064 0.0029 0.0017 952 ALA 88 C -0.0115 0.0054 0.0016 953 ALA 88 O -0.0135 0.0069 0.0040 954 ALA 88 CB -0.0043 0.0028 0.0066 955 ALA 88 H -0.0065 0.0019 -0.0028 956 ALA 88 HA -0.0054 0.0023 0.0013 957 ALA 88 HB1 -0.0053 0.0035 0.0071 958 ALA 88 HB2 -0.0007 0.0010 0.0065 959 ALA 88 HB3 -0.0053 0.0039 0.0095 960 GLY 89 N 0.0112 0.0020 -0.0046 961 GLY 89 CA 0.0073 0.0030 -0.0047 962 GLY 89 C 0.0081 0.0031 -0.0061 963 GLY 89 O 0.0104 0.0021 -0.0040 964 GLY 89 H 0.0137 0.0017 -0.0061 965 GLY 89 HA2 0.0058 0.0028 -0.0016 966 GLY 89 HA3 0.0053 0.0040 -0.0070 967 MET 90 N -0.0003 0.0007 0.0013 968 MET 90 CA 0.0000 0.0008 0.0011 969 MET 90 C 0.0004 0.0007 0.0006 970 MET 90 O 0.0002 0.0004 0.0001 971 MET 90 CB -0.0003 0.0005 0.0011 972 MET 90 CG -0.0000 0.0007 0.0009 973 MET 90 SD 0.0005 0.0006 0.0003 974 MET 90 CE 0.0007 0.0007 0.0002 975 MET 90 H -0.0003 0.0009 0.0017 976 MET 90 HA 0.0002 0.0011 0.0014 977 MET 90 HB2 -0.0006 0.0006 0.0014 978 MET 90 HB3 -0.0005 0.0002 0.0008 979 MET 90 HG2 0.0002 0.0010 0.0012 980 MET 90 HG3 -0.0003 0.0005 0.0009 981 MET 90 HE1 0.0008 0.0010 0.0006 982 MET 90 HE2 0.0010 0.0007 -0.0001 983 MET 90 HE3 0.0004 0.0005 0.0003 984 GLY 91 N -0.0009 -0.0008 0.0024 985 GLY 91 CA -0.0003 0.0002 0.0009 986 GLY 91 C -0.0002 -0.0002 0.0016 987 GLY 91 O 0.0016 -0.0002 0.0017 988 GLY 91 H 0.0001 -0.0015 0.0035 989 GLY 91 HA2 -0.0015 0.0008 -0.0003 990 GLY 91 HA3 0.0013 0.0006 0.0004 991 SER 92 N 0.0002 0.0007 -0.0002 992 SER 92 CA 0.0001 0.0009 -0.0005 993 SER 92 C -0.0001 0.0009 -0.0010 994 SER 92 O -0.0003 0.0006 -0.0012 995 SER 92 CB 0.0000 0.0004 -0.0004 996 SER 92 OG 0.0002 0.0004 0.0001 997 SER 92 H 0.0001 0.0004 -0.0002 998 SER 92 HA 0.0003 0.0012 -0.0004 999 SER 92 HB2 -0.0001 0.0001 -0.0005 1000 SER 92 HB3 -0.0000 0.0006 -0.0007 1001 SER 92 HG 0.0004 0.0006 0.0003 1002 TYR 93 N 0.0001 -0.0001 -0.0007 1003 TYR 93 CA 0.0001 -0.0001 -0.0006 1004 TYR 93 C 0.0000 -0.0001 -0.0008 1005 TYR 93 O -0.0001 -0.0001 -0.0009 1006 TYR 93 CB 0.0000 -0.0001 -0.0005 1007 TYR 93 CG 0.0001 -0.0001 -0.0003 1008 TYR 93 CD1 0.0002 -0.0001 -0.0002 1009 TYR 93 CD2 -0.0001 -0.0001 -0.0003 1010 TYR 93 CE1 0.0002 -0.0002 -0.0001 1011 TYR 93 CE2 -0.0001 -0.0001 -0.0002 1012 TYR 93 CZ 0.0001 -0.0002 -0.0001 1013 TYR 93 OH 0.0001 -0.0002 0.0000 1014 TYR 93 H 0.0000 -0.0001 -0.0008 1015 TYR 93 HA 0.0003 -0.0001 -0.0006 1016 TYR 93 HB2 0.0001 -0.0001 -0.0004 1017 TYR 93 HB3 -0.0001 -0.0001 -0.0005 1018 TYR 93 HD1 0.0003 -0.0002 -0.0002 1019 TYR 93 HD2 -0.0002 -0.0001 -0.0004 1020 TYR 93 HE1 0.0003 -0.0002 0.0000 1021 TYR 93 HE2 -0.0001 -0.0001 -0.0002 1022 TYR 93 HH 0.0001 -0.0002 -0.0000 1023 VAL 94 N -0.0019 -0.0008 0.0003 1024 VAL 94 CA -0.0012 -0.0003 0.0002 1025 VAL 94 C -0.0011 -0.0002 0.0002 1026 VAL 94 O -0.0009 -0.0007 0.0001 1027 VAL 94 CB -0.0004 -0.0006 -0.0000 1028 VAL 94 CG1 -0.0002 -0.0015 -0.0002 1029 VAL 94 CG2 0.0004 -0.0000 -0.0001 1030 VAL 94 H -0.0018 -0.0014 0.0002 1031 VAL 94 HA -0.0013 0.0003 0.0004 1032 VAL 94 HB -0.0005 -0.0006 0.0000 1033 VAL 94 HG11 0.0004 -0.0017 -0.0004 1034 VAL 94 HG12 -0.0001 -0.0015 -0.0002 1035 VAL 94 HG13 -0.0007 -0.0019 -0.0002 1036 VAL 94 HG21 0.0004 0.0000 -0.0001 1037 VAL 94 HG22 0.0009 -0.0002 -0.0003 1038 VAL 94 HG23 0.0002 0.0006 0.0000