1 ASP 28 N 0.0139 -0.0004 0.0181 2 ASP 28 CA 0.0032 -0.0070 0.0092 3 ASP 28 C -0.0021 0.0004 0.0017 4 ASP 28 O -0.0006 0.0132 -0.0006 5 ASP 28 CB -0.0017 -0.0066 0.0040 6 ASP 28 CG -0.0128 -0.0133 -0.0053 7 ASP 28 OD1 -0.0152 -0.0261 -0.0040 8 ASP 28 OD2 -0.0191 -0.0062 -0.0137 9 ASP 28 H 0.0177 -0.0051 0.0233 10 ASP 28 HA 0.0027 -0.0176 0.0118 11 ASP 28 HB2 0.0021 -0.0119 0.0095 12 ASP 28 HB3 -0.0010 0.0041 0.0017 13 PRO 29 N -0.0004 -0.0134 0.0342 14 PRO 29 CA 0.0006 0.0107 0.0095 15 PRO 29 C -0.0096 0.0190 -0.0287 16 PRO 29 O -0.0251 -0.0057 -0.0448 17 PRO 29 CB -0.0089 -0.0107 0.0068 18 PRO 29 CG -0.0094 -0.0399 0.0387 19 PRO 29 CD -0.0098 -0.0481 0.0470 20 PRO 29 HA 0.0146 0.0357 0.0207 21 PRO 29 HB2 -0.0224 -0.0212 -0.0195 22 PRO 29 HB3 -0.0012 0.0073 0.0081 23 PRO 29 HG2 -0.0216 -0.0638 0.0314 24 PRO 29 HG3 0.0027 -0.0304 0.0623 25 PRO 29 HD2 -0.0238 -0.0697 0.0319 26 PRO 29 HD3 -0.0024 -0.0554 0.0764 27 ASN 30 N -0.0139 0.0426 -0.0379 28 ASN 30 CA -0.0110 0.0411 -0.0478 29 ASN 30 C -0.0077 0.0222 -0.0361 30 ASN 30 O 0.0002 0.0039 -0.0442 31 ASN 30 CB -0.0043 0.0396 -0.0736 32 ASN 30 CG -0.0007 0.0375 -0.0859 33 ASN 30 OD1 -0.0044 0.0541 -0.0931 34 ASN 30 ND2 0.0065 0.0174 -0.0891 35 ASN 30 H -0.0196 0.0570 -0.0334 36 ASN 30 HA -0.0167 0.0565 -0.0447 37 ASN 30 HB2 -0.0075 0.0545 -0.0806 38 ASN 30 HB3 0.0007 0.0254 -0.0754 39 ASN 30 HD21 0.0093 0.0047 -0.0834 40 ASN 30 HD22 0.0089 0.0158 -0.0968 41 ALA 31 N -0.0131 0.0222 -0.0151 42 ALA 31 CA -0.0125 0.0169 -0.0108 43 ALA 31 C -0.0210 0.0109 -0.0088 44 ALA 31 O -0.0276 0.0119 -0.0118 45 ALA 31 CB -0.0107 0.0207 -0.0132 46 ALA 31 H -0.0191 0.0222 -0.0170 47 ALA 31 HA -0.0068 0.0142 -0.0069 48 ALA 31 HB1 -0.0100 0.0166 -0.0098 49 ALA 31 HB2 -0.0164 0.0234 -0.0170 50 ALA 31 HB3 -0.0047 0.0250 -0.0145 51 GLU 32 N -0.0229 -0.0302 -0.0112 52 GLU 32 CA -0.0331 -0.0475 -0.0153 53 GLU 32 C -0.0269 -0.0381 -0.0105 54 GLU 32 O -0.0334 -0.0469 -0.0177 55 GLU 32 CB -0.0403 -0.0693 0.0023 56 GLU 32 CG -0.0317 -0.0667 0.0305 57 GLU 32 CD -0.0395 -0.0893 0.0467 58 GLU 32 OE1 -0.0447 -0.1020 0.0528 59 GLU 32 OE2 -0.0408 -0.0950 0.0536 60 GLU 32 H -0.0196 -0.0320 0.0053 61 GLU 32 HA -0.0398 -0.0508 -0.0346 62 GLU 32 HB2 -0.0479 -0.0818 -0.0016 63 GLU 32 HB3 -0.0445 -0.0753 -0.0019 64 GLU 32 HG2 -0.0241 -0.0547 0.0350 65 GLU 32 HG3 -0.0271 -0.0601 0.0347 66 PHE 33 N -0.0156 -0.0194 0.0082 67 PHE 33 CA -0.0115 -0.0152 0.0119 68 PHE 33 C -0.0098 0.0011 0.0014 69 PHE 33 O -0.0105 0.0096 -0.0068 70 PHE 33 CB -0.0008 -0.0140 0.0292 71 PHE 33 CG 0.0072 -0.0028 0.0336 72 PHE 33 CD1 0.0137 0.0138 0.0311 73 PHE 33 CD2 0.0081 -0.0090 0.0402 74 PHE 33 CE1 0.0209 0.0239 0.0349 75 PHE 33 CE2 0.0152 0.0011 0.0440 76 PHE 33 CZ 0.0216 0.0176 0.0414 77 PHE 33 H -0.0110 -0.0139 0.0116 78 PHE 33 HA -0.0170 -0.0246 0.0102 79 PHE 33 HB2 0.0028 -0.0093 0.0315 80 PHE 33 HB3 -0.0022 -0.0260 0.0366 81 PHE 33 HD1 0.0132 0.0188 0.0260 82 PHE 33 HD2 0.0030 -0.0220 0.0422 83 PHE 33 HE1 0.0259 0.0368 0.0329 84 PHE 33 HE2 0.0158 -0.0039 0.0491 85 PHE 33 HZ 0.0272 0.0255 0.0444 86 ASP 34 N -0.0097 0.0064 0.0043 87 ASP 34 CA -0.0124 0.0164 0.0003 88 ASP 34 C -0.0054 0.0223 0.0066 89 ASP 34 O -0.0011 0.0166 0.0117 90 ASP 34 CB -0.0195 0.0132 -0.0066 91 ASP 34 CG -0.0230 0.0234 -0.0116 92 ASP 34 OD1 -0.0195 0.0289 -0.0087 93 ASP 34 OD2 -0.0295 0.0261 -0.0185 94 ASP 34 H -0.0092 -0.0003 0.0057 95 ASP 34 HA -0.0141 0.0220 -0.0022 96 ASP 34 HB2 -0.0240 0.0080 -0.0105 97 ASP 34 HB3 -0.0175 0.0083 -0.0039 98 PRO 35 N -0.0034 0.0422 0.0024 99 PRO 35 CA 0.0077 0.0520 0.0118 100 PRO 35 C 0.0057 0.0572 0.0087 101 PRO 35 O 0.0144 0.0660 0.0158 102 PRO 35 CB 0.0105 0.0685 0.0113 103 PRO 35 CG -0.0024 0.0721 -0.0026 104 PRO 35 CD -0.0103 0.0541 -0.0071 105 PRO 35 HA 0.0156 0.0448 0.0214 106 PRO 35 HB2 0.0154 0.0793 0.0142 107 PRO 35 HB3 0.0161 0.0659 0.0176 108 PRO 35 HG2 -0.0064 0.0796 -0.0082 109 PRO 35 HG3 -0.0017 0.0793 -0.0034 110 PRO 35 HD2 -0.0197 0.0542 -0.0168 111 PRO 35 HD3 -0.0106 0.0502 -0.0067 112 ASP 36 N -0.0087 0.0419 0.0050 113 ASP 36 CA -0.0120 0.0397 0.0037 114 ASP 36 C -0.0117 0.0247 0.0055 115 ASP 36 O -0.0084 0.0208 0.0074 116 ASP 36 CB -0.0251 0.0450 -0.0028 117 ASP 36 CG -0.0293 0.0425 -0.0044 118 ASP 36 OD1 -0.0245 0.0497 -0.0030 119 ASP 36 OD2 -0.0377 0.0332 -0.0072 120 ASP 36 H -0.0151 0.0396 0.0023 121 ASP 36 HA -0.0051 0.0454 0.0062 122 ASP 36 HB2 -0.0249 0.0559 -0.0038 123 ASP 36 HB3 -0.0319 0.0399 -0.0053 124 LEU 37 N -0.0122 0.0076 0.0065 125 LEU 37 CA -0.0125 0.0003 0.0069 126 LEU 37 C -0.0060 -0.0028 0.0092 127 LEU 37 O -0.0026 -0.0006 0.0101 128 LEU 37 CB -0.0178 -0.0026 0.0054 129 LEU 37 CG -0.0250 -0.0019 0.0030 130 LEU 37 CD1 -0.0263 -0.0053 0.0028 131 LEU 37 CD2 -0.0271 0.0055 0.0019 132 LEU 37 H -0.0129 0.0101 0.0062 133 LEU 37 HA -0.0139 -0.0011 0.0065 134 LEU 37 HB2 -0.0171 -0.0001 0.0055 135 LEU 37 HB3 -0.0168 -0.0080 0.0060 136 LEU 37 HG -0.0280 -0.0046 0.0023 137 LEU 37 HD11 -0.0314 -0.0048 0.0012 138 LEU 37 HD12 -0.0234 -0.0029 0.0036 139 LEU 37 HD13 -0.0252 -0.0107 0.0035 140 LEU 37 HD21 -0.0321 0.0057 0.0003 141 LEU 37 HD22 -0.0265 0.0077 0.0020 142 LEU 37 HD23 -0.0241 0.0082 0.0027 143 PRO 38 N -0.0077 -0.0117 0.0052 144 PRO 38 CA -0.0042 -0.0131 0.0042 145 PRO 38 C -0.0028 -0.0131 0.0040 146 PRO 38 O -0.0046 -0.0141 0.0039 147 PRO 38 CB -0.0049 -0.0169 0.0032 148 PRO 38 CG -0.0082 -0.0168 0.0037 149 PRO 38 CD -0.0104 -0.0142 0.0049 150 PRO 38 HA -0.0023 -0.0118 0.0043 151 PRO 38 HB2 -0.0051 -0.0185 0.0027 152 PRO 38 HB3 -0.0027 -0.0176 0.0026 153 PRO 38 HG2 -0.0096 -0.0193 0.0032 154 PRO 38 HG3 -0.0077 -0.0162 0.0038 155 PRO 38 HD2 -0.0120 -0.0153 0.0048 156 PRO 38 HD3 -0.0120 -0.0129 0.0055 157 GLY 39 N -0.0032 -0.0121 0.0082 158 GLY 39 CA -0.0021 -0.0131 0.0082 159 GLY 39 C -0.0028 -0.0120 0.0084 160 GLY 39 O -0.0026 -0.0129 0.0081 161 GLY 39 H -0.0025 -0.0112 0.0088 162 GLY 39 HA2 -0.0004 -0.0130 0.0088 163 GLY 39 HA3 -0.0024 -0.0146 0.0075 164 GLY 40 N -0.0008 -0.0092 0.0174 165 GLY 40 CA -0.0028 -0.0080 0.0155 166 GLY 40 C -0.0071 -0.0104 0.0101 167 GLY 40 O -0.0089 -0.0103 0.0080 168 GLY 40 H -0.0008 -0.0056 0.0183 169 GLY 40 HA2 -0.0033 -0.0028 0.0161 170 GLY 40 HA3 -0.0005 -0.0104 0.0174 171 GLY 41 N -0.0079 -0.0099 0.0067 172 GLY 41 CA -0.0099 -0.0113 0.0043 173 GLY 41 C -0.0081 -0.0140 0.0035 174 GLY 41 O -0.0094 -0.0154 0.0017 175 GLY 41 H -0.0074 -0.0101 0.0068 176 GLY 41 HA2 -0.0111 -0.0120 0.0030 177 GLY 41 HA3 -0.0115 -0.0098 0.0043 178 LEU 42 N -0.0064 -0.0101 0.0052 179 LEU 42 CA -0.0049 -0.0145 0.0052 180 LEU 42 C -0.0051 -0.0130 0.0045 181 LEU 42 O -0.0037 -0.0162 0.0038 182 LEU 42 CB -0.0060 -0.0179 0.0101 183 LEU 42 CG -0.0059 -0.0198 0.0114 184 LEU 42 CD1 -0.0071 -0.0230 0.0164 185 LEU 42 CD2 -0.0031 -0.0228 0.0076 186 LEU 42 H -0.0083 -0.0088 0.0084 187 LEU 42 HA -0.0029 -0.0167 0.0024 188 LEU 42 HB2 -0.0080 -0.0157 0.0130 189 LEU 42 HB3 -0.0049 -0.0211 0.0100 190 LEU 42 HG -0.0071 -0.0166 0.0117 191 LEU 42 HD11 -0.0070 -0.0244 0.0173 192 LEU 42 HD12 -0.0060 -0.0263 0.0164 193 LEU 42 HD13 -0.0091 -0.0208 0.0192 194 LEU 42 HD21 -0.0019 -0.0260 0.0072 195 LEU 42 HD22 -0.0032 -0.0242 0.0086 196 LEU 42 HD23 -0.0024 -0.0204 0.0041 197 HIS 43 N -0.0005 -0.0122 0.0024 198 HIS 43 CA -0.0004 -0.0117 -0.0002 199 HIS 43 C -0.0017 -0.0122 -0.0009 200 HIS 43 O -0.0039 -0.0132 -0.0011 201 HIS 43 CB -0.0014 -0.0119 -0.0019 202 HIS 43 CG -0.0004 -0.0116 -0.0012 203 HIS 43 ND1 0.0016 -0.0105 -0.0022 204 HIS 43 CD2 -0.0012 -0.0122 0.0002 205 HIS 43 CE1 0.0020 -0.0105 -0.0013 206 HIS 43 NE2 0.0004 -0.0115 0.0001 207 HIS 43 H -0.0020 -0.0130 0.0032 208 HIS 43 HA 0.0014 -0.0109 -0.0007 209 HIS 43 HB2 -0.0033 -0.0128 -0.0018 210 HIS 43 HB3 -0.0011 -0.0115 -0.0038 211 HIS 43 HD1 0.0026 -0.0099 -0.0032 212 HIS 43 HD2 -0.0027 -0.0130 0.0013 213 HIS 43 HE1 0.0035 -0.0097 -0.0018 214 HIS 43 HE2 0.0005 -0.0116 0.0013 215 ARG 44 N -0.0046 -0.0094 -0.0025 216 ARG 44 CA -0.0045 -0.0099 -0.0018 217 ARG 44 C -0.0045 -0.0093 -0.0015 218 ARG 44 O -0.0045 -0.0083 -0.0016 219 ARG 44 CB -0.0043 -0.0099 -0.0007 220 ARG 44 CG -0.0043 -0.0102 -0.0008 221 ARG 44 CD -0.0042 -0.0101 0.0003 222 ARG 44 NE -0.0041 -0.0103 0.0003 223 ARG 44 CZ -0.0040 -0.0104 0.0012 224 ARG 44 NH1 -0.0039 -0.0102 0.0022 225 ARG 44 NH2 -0.0040 -0.0106 0.0011 226 ARG 44 H -0.0047 -0.0086 -0.0025 227 ARG 44 HA -0.0045 -0.0107 -0.0020 228 ARG 44 HB2 -0.0043 -0.0091 -0.0004 229 ARG 44 HB3 -0.0042 -0.0105 -0.0002 230 ARG 44 HG2 -0.0043 -0.0111 -0.0010 231 ARG 44 HG3 -0.0044 -0.0097 -0.0013 232 ARG 44 HD2 -0.0041 -0.0093 0.0006 233 ARG 44 HD3 -0.0040 -0.0107 0.0009 234 ARG 44 HE -0.0043 -0.0104 -0.0004 235 ARG 44 HH11 -0.0039 -0.0100 0.0022 236 ARG 44 HH12 -0.0037 -0.0102 0.0028 237 ARG 44 HH21 -0.0041 -0.0108 0.0004 238 ARG 44 HH22 -0.0039 -0.0107 0.0018 239 CYS 45 N -0.0000 -0.0045 -0.0022 240 CYS 45 CA 0.0007 -0.0028 -0.0019 241 CYS 45 C 0.0020 -0.0033 0.0004 242 CYS 45 O 0.0017 -0.0053 0.0011 243 CYS 45 CB -0.0002 -0.0028 -0.0034 244 CYS 45 SG 0.0008 -0.0009 -0.0028 245 CYS 45 H -0.0007 -0.0062 -0.0023 246 CYS 45 HA 0.0011 -0.0011 -0.0022 247 CYS 45 HB2 -0.0009 -0.0022 -0.0050 248 CYS 45 HB3 -0.0008 -0.0046 -0.0033 249 LEU 46 N -0.0031 0.0000 0.0021 250 LEU 46 CA -0.0011 -0.0006 0.0044 251 LEU 46 C -0.0000 -0.0004 0.0056 252 LEU 46 O 0.0013 -0.0022 0.0071 253 LEU 46 CB -0.0003 0.0015 0.0054 254 LEU 46 CG -0.0012 0.0014 0.0043 255 LEU 46 CD1 -0.0004 0.0037 0.0053 256 LEU 46 CD2 -0.0009 -0.0016 0.0046 257 LEU 46 H -0.0037 0.0018 0.0015 258 LEU 46 HA -0.0010 -0.0028 0.0045 259 LEU 46 HB2 -0.0005 0.0037 0.0052 260 LEU 46 HB3 0.0012 0.0011 0.0071 261 LEU 46 HG -0.0027 0.0018 0.0026 262 LEU 46 HD11 -0.0007 0.0058 0.0049 263 LEU 46 HD12 -0.0010 0.0036 0.0046 264 LEU 46 HD13 0.0012 0.0035 0.0070 265 LEU 46 HD21 -0.0016 -0.0032 0.0038 266 LEU 46 HD22 0.0006 -0.0021 0.0063 267 LEU 46 HD23 -0.0015 -0.0016 0.0039 268 ALA 47 N 0.0005 0.0103 0.0015 269 ALA 47 CA 0.0015 0.0117 0.0019 270 ALA 47 C 0.0003 0.0093 0.0015 271 ALA 47 O 0.0014 0.0096 0.0022 272 ALA 47 CB 0.0005 0.0153 0.0007 273 ALA 47 H -0.0008 0.0116 0.0004 274 ALA 47 HA 0.0038 0.0119 0.0034 275 ALA 47 HB1 0.0013 0.0163 0.0010 276 ALA 47 HB2 -0.0019 0.0151 -0.0009 277 ALA 47 HB3 0.0013 0.0169 0.0009 278 CYS 48 N 0.0020 -0.0039 0.0041 279 CYS 48 CA 0.0007 -0.0072 0.0034 280 CYS 48 C 0.0005 -0.0091 0.0052 281 CYS 48 O -0.0004 -0.0120 0.0053 282 CYS 48 CB -0.0002 -0.0077 -0.0002 283 CYS 48 SG -0.0002 -0.0062 -0.0020 284 CYS 48 H 0.0023 -0.0025 0.0033 285 CYS 48 HA 0.0007 -0.0081 0.0045 286 CYS 48 HB2 -0.0002 -0.0066 -0.0018 287 CYS 48 HB3 -0.0011 -0.0102 -0.0006 288 ALA 49 N -0.0044 -0.0100 0.0036 289 ALA 49 CA -0.0047 -0.0123 0.0063 290 ALA 49 C -0.0071 -0.0148 0.0044 291 ALA 49 O -0.0080 -0.0175 0.0062 292 ALA 49 CB -0.0044 -0.0142 0.0095 293 ALA 49 H -0.0031 -0.0076 0.0033 294 ALA 49 HA -0.0032 -0.0107 0.0072 295 ALA 49 HB1 -0.0058 -0.0158 0.0086 296 ALA 49 HB2 -0.0027 -0.0124 0.0108 297 ALA 49 HB3 -0.0045 -0.0158 0.0115 298 ARG 50 N -0.0066 -0.0143 0.0027 299 ARG 50 CA -0.0068 -0.0155 0.0009 300 ARG 50 C -0.0061 -0.0138 -0.0002 301 ARG 50 O -0.0055 -0.0119 -0.0006 302 ARG 50 CB -0.0070 -0.0167 -0.0010 303 ARG 50 CG -0.0077 -0.0186 -0.0001 304 ARG 50 CD -0.0078 -0.0197 -0.0020 305 ARG 50 NE -0.0085 -0.0215 -0.0012 306 ARG 50 CZ -0.0087 -0.0227 -0.0025 307 ARG 50 NH1 -0.0084 -0.0223 -0.0048 308 ARG 50 NH2 -0.0093 -0.0242 -0.0016 309 ARG 50 H -0.0062 -0.0133 0.0022 310 ARG 50 HA -0.0073 -0.0167 0.0018 311 ARG 50 HB2 -0.0065 -0.0155 -0.0018 312 ARG 50 HB3 -0.0071 -0.0175 -0.0023 313 ARG 50 HG2 -0.0082 -0.0198 0.0007 314 ARG 50 HG3 -0.0076 -0.0179 0.0012 315 ARG 50 HD2 -0.0074 -0.0185 -0.0029 316 ARG 50 HD3 -0.0080 -0.0205 -0.0033 317 ARG 50 HE -0.0088 -0.0218 0.0005 318 ARG 50 HH11 -0.0079 -0.0212 -0.0056 319 ARG 50 HH12 -0.0085 -0.0231 -0.0059 320 ARG 50 HH21 -0.0096 -0.0246 0.0002 321 ARG 50 HH22 -0.0095 -0.0250 -0.0025 322 TYR 51 N -0.0106 -0.0186 -0.0002 323 TYR 51 CA -0.0090 -0.0172 0.0001 324 TYR 51 C -0.0071 -0.0178 -0.0005 325 TYR 51 O -0.0073 -0.0183 -0.0006 326 TYR 51 CB -0.0097 -0.0153 0.0009 327 TYR 51 CG -0.0117 -0.0147 0.0015 328 TYR 51 CD1 -0.0136 -0.0153 0.0016 329 TYR 51 CD2 -0.0117 -0.0135 0.0020 330 TYR 51 CE1 -0.0154 -0.0147 0.0021 331 TYR 51 CE2 -0.0135 -0.0129 0.0025 332 TYR 51 CZ -0.0154 -0.0136 0.0026 333 TYR 51 OH -0.0172 -0.0130 0.0031 334 TYR 51 H -0.0113 -0.0186 -0.0001 335 TYR 51 HA -0.0086 -0.0170 0.0001 336 TYR 51 HB2 -0.0100 -0.0155 0.0009 337 TYR 51 HB3 -0.0085 -0.0142 0.0012 338 TYR 51 HD1 -0.0137 -0.0162 0.0013 339 TYR 51 HD2 -0.0102 -0.0130 0.0019 340 TYR 51 HE1 -0.0169 -0.0152 0.0022 341 TYR 51 HE2 -0.0134 -0.0120 0.0029 342 TYR 51 HH -0.0181 -0.0126 0.0034 343 PHE 52 N -0.0023 -0.0168 -0.0020 344 PHE 52 CA -0.0033 -0.0168 -0.0043 345 PHE 52 C -0.0035 -0.0170 -0.0045 346 PHE 52 O -0.0024 -0.0161 -0.0033 347 PHE 52 CB -0.0028 -0.0149 -0.0059 348 PHE 52 CG -0.0026 -0.0146 -0.0058 349 PHE 52 CD1 -0.0013 -0.0138 -0.0042 350 PHE 52 CD2 -0.0037 -0.0152 -0.0074 351 PHE 52 CE1 -0.0011 -0.0135 -0.0041 352 PHE 52 CE2 -0.0035 -0.0150 -0.0074 353 PHE 52 CZ -0.0022 -0.0141 -0.0057 354 PHE 52 H -0.0012 -0.0156 -0.0014 355 PHE 52 HA -0.0044 -0.0182 -0.0047 356 PHE 52 HB2 -0.0017 -0.0135 -0.0055 357 PHE 52 HB3 -0.0036 -0.0150 -0.0076 358 PHE 52 HD1 -0.0004 -0.0133 -0.0029 359 PHE 52 HD2 -0.0047 -0.0159 -0.0087 360 PHE 52 HE1 -0.0001 -0.0128 -0.0028 361 PHE 52 HE2 -0.0044 -0.0155 -0.0086 362 PHE 52 HZ -0.0021 -0.0140 -0.0056 363 ILE 53 N -0.0051 -0.0178 -0.0055 364 ILE 53 CA -0.0044 -0.0170 -0.0054 365 ILE 53 C -0.0018 -0.0143 -0.0066 366 ILE 53 O -0.0008 -0.0129 -0.0054 367 ILE 53 CB -0.0059 -0.0190 -0.0076 368 ILE 53 CG1 -0.0057 -0.0194 -0.0114 369 ILE 53 CG2 -0.0085 -0.0216 -0.0060 370 ILE 53 CD1 -0.0070 -0.0212 -0.0138 371 ILE 53 H -0.0063 -0.0193 -0.0071 372 ILE 53 HA -0.0048 -0.0170 -0.0027 373 ILE 53 HB -0.0052 -0.0183 -0.0076 374 ILE 53 HG12 -0.0063 -0.0201 -0.0115 375 ILE 53 HG13 -0.0038 -0.0175 -0.0124 376 ILE 53 HG21 -0.0092 -0.0224 -0.0058 377 ILE 53 HG22 -0.0086 -0.0213 -0.0034 378 ILE 53 HG23 -0.0095 -0.0230 -0.0076 379 ILE 53 HD11 -0.0064 -0.0205 -0.0139 380 ILE 53 HD12 -0.0068 -0.0214 -0.0164 381 ILE 53 HD13 -0.0089 -0.0231 -0.0128 382 ASP 54 N -0.0024 -0.0166 -0.0089 383 ASP 54 CA -0.0010 -0.0138 -0.0104 384 ASP 54 C 0.0002 -0.0116 -0.0106 385 ASP 54 O -0.0003 -0.0124 -0.0107 386 ASP 54 CB -0.0021 -0.0141 -0.0138 387 ASP 54 CG -0.0008 -0.0114 -0.0155 388 ASP 54 OD1 -0.0003 -0.0108 -0.0148 389 ASP 54 OD2 -0.0003 -0.0098 -0.0175 390 ASP 54 H -0.0027 -0.0171 -0.0092 391 ASP 54 HA -0.0003 -0.0131 -0.0089 392 ASP 54 HB2 -0.0030 -0.0158 -0.0136 393 ASP 54 HB3 -0.0028 -0.0148 -0.0153 394 SER 55 N 0.0003 -0.0099 -0.0125 395 SER 55 CA 0.0016 -0.0073 -0.0125 396 SER 55 C 0.0006 -0.0065 -0.0149 397 SER 55 O 0.0013 -0.0054 -0.0147 398 SER 55 CB 0.0027 -0.0049 -0.0124 399 SER 55 OG 0.0039 -0.0022 -0.0124 400 SER 55 H 0.0002 -0.0098 -0.0127 401 SER 55 HA 0.0024 -0.0075 -0.0106 402 SER 55 HB2 0.0034 -0.0054 -0.0105 403 SER 55 HB3 0.0019 -0.0047 -0.0141 404 SER 55 HG 0.0034 -0.0013 -0.0144 405 THR 56 N 0.0007 -0.0069 -0.0179 406 THR 56 CA -0.0001 -0.0068 -0.0207 407 THR 56 C -0.0003 -0.0097 -0.0193 408 THR 56 O -0.0001 -0.0088 -0.0196 409 THR 56 CB -0.0015 -0.0079 -0.0248 410 THR 56 OG1 -0.0013 -0.0054 -0.0258 411 THR 56 CG2 -0.0023 -0.0072 -0.0279 412 THR 56 H 0.0003 -0.0079 -0.0188 413 THR 56 HA 0.0004 -0.0038 -0.0209 414 THR 56 HB -0.0021 -0.0110 -0.0245 415 THR 56 HG1 -0.0012 -0.0068 -0.0245 416 THR 56 HG21 -0.0033 -0.0080 -0.0308 417 THR 56 HG22 -0.0017 -0.0040 -0.0281 418 THR 56 HG23 -0.0025 -0.0090 -0.0272 419 ASN 57 N -0.0008 -0.0109 -0.0186 420 ASN 57 CA -0.0012 -0.0134 -0.0174 421 ASN 57 C 0.0003 -0.0121 -0.0143 422 ASN 57 O 0.0003 -0.0126 -0.0141 423 ASN 57 CB -0.0019 -0.0171 -0.0163 424 ASN 57 CG -0.0037 -0.0193 -0.0194 425 ASN 57 OD1 -0.0046 -0.0213 -0.0204 426 ASN 57 ND2 -0.0041 -0.0190 -0.0210 427 ASN 57 H -0.0009 -0.0117 -0.0181 428 ASN 57 HA -0.0020 -0.0136 -0.0195 429 ASN 57 HB2 -0.0014 -0.0167 -0.0152 430 ASN 57 HB3 -0.0016 -0.0186 -0.0144 431 ASN 57 HD21 -0.0034 -0.0174 -0.0203 432 ASN 57 HD22 -0.0053 -0.0204 -0.0231 433 LEU 58 N 0.0002 -0.0090 -0.0128 434 LEU 58 CA 0.0011 -0.0081 -0.0109 435 LEU 58 C 0.0013 -0.0061 -0.0115 436 LEU 58 O 0.0017 -0.0060 -0.0107 437 LEU 58 CB 0.0018 -0.0076 -0.0095 438 LEU 58 CG 0.0028 -0.0063 -0.0076 439 LEU 58 CD1 0.0031 -0.0039 -0.0082 440 LEU 58 CD2 0.0031 -0.0072 -0.0064 441 LEU 58 H 0.0001 -0.0089 -0.0131 442 LEU 58 HA 0.0012 -0.0094 -0.0101 443 LEU 58 HB2 0.0016 -0.0091 -0.0090 444 LEU 58 HB3 0.0016 -0.0067 -0.0105 445 LEU 58 HG 0.0031 -0.0065 -0.0066 446 LEU 58 HD11 0.0038 -0.0031 -0.0068 447 LEU 58 HD12 0.0027 -0.0036 -0.0092 448 LEU 58 HD13 0.0029 -0.0033 -0.0089 449 LEU 58 HD21 0.0027 -0.0069 -0.0074 450 LEU 58 HD22 0.0038 -0.0063 -0.0051 451 LEU 58 HD23 0.0029 -0.0089 -0.0060 452 LYS 59 N 0.0034 -0.0029 -0.0113 453 LYS 59 CA 0.0030 -0.0012 -0.0111 454 LYS 59 C 0.0032 -0.0019 -0.0113 455 LYS 59 O 0.0032 -0.0011 -0.0103 456 LYS 59 CB 0.0022 0.0004 -0.0124 457 LYS 59 CG 0.0016 -0.0002 -0.0145 458 LYS 59 CD 0.0008 0.0015 -0.0156 459 LYS 59 CE 0.0004 0.0032 -0.0154 460 LYS 59 NZ 0.0002 0.0028 -0.0161 461 LYS 59 H 0.0032 -0.0030 -0.0123 462 LYS 59 HA 0.0033 -0.0007 -0.0096 463 LYS 59 HB2 0.0019 0.0016 -0.0120 464 LYS 59 HB3 0.0021 0.0008 -0.0121 465 LYS 59 HG2 0.0019 -0.0014 -0.0148 466 LYS 59 HG3 0.0016 -0.0005 -0.0148 467 LYS 59 HD2 0.0008 0.0019 -0.0152 468 LYS 59 HD3 0.0005 0.0009 -0.0171 469 LYS 59 HE2 0.0007 0.0037 -0.0139 470 LYS 59 HE3 -0.0002 0.0043 -0.0162 471 LYS 59 HZ1 -0.0001 0.0025 -0.0176 472 LYS 59 HZ2 -0.0001 0.0041 -0.0159 473 LYS 59 HZ3 0.0008 0.0018 -0.0154 474 THR 60 N 0.0018 -0.0037 -0.0138 475 THR 60 CA 0.0017 -0.0047 -0.0144 476 THR 60 C 0.0042 -0.0061 -0.0106 477 THR 60 O 0.0045 -0.0053 -0.0097 478 THR 60 CB 0.0007 -0.0081 -0.0178 479 THR 60 OG1 -0.0016 -0.0067 -0.0213 480 THR 60 CG2 0.0006 -0.0092 -0.0185 481 THR 60 H 0.0014 -0.0055 -0.0154 482 THR 60 HA 0.0006 -0.0018 -0.0149 483 THR 60 HB 0.0018 -0.0109 -0.0172 484 THR 60 HG1 -0.0015 -0.0067 -0.0211 485 THR 60 HG21 -0.0001 -0.0116 -0.0209 486 THR 60 HG22 -0.0005 -0.0063 -0.0191 487 THR 60 HG23 0.0024 -0.0103 -0.0159 488 HIS 61 N 0.0048 -0.0043 -0.0101 489 HIS 61 CA 0.0058 -0.0047 -0.0088 490 HIS 61 C 0.0054 -0.0037 -0.0071 491 HIS 61 O 0.0063 -0.0039 -0.0058 492 HIS 61 CB 0.0065 -0.0055 -0.0092 493 HIS 61 CG 0.0072 -0.0056 -0.0078 494 HIS 61 ND1 0.0085 -0.0063 -0.0068 495 HIS 61 CD2 0.0069 -0.0050 -0.0070 496 HIS 61 CE1 0.0088 -0.0062 -0.0056 497 HIS 61 NE2 0.0079 -0.0054 -0.0057 498 HIS 61 H 0.0044 -0.0044 -0.0110 499 HIS 61 HA 0.0066 -0.0054 -0.0086 500 HIS 61 HB2 0.0071 -0.0064 -0.0100 501 HIS 61 HB3 0.0057 -0.0050 -0.0099 502 HIS 61 HD1 0.0090 -0.0069 -0.0070 503 HIS 61 HD2 0.0060 -0.0044 -0.0074 504 HIS 61 HE1 0.0097 -0.0065 -0.0045 505 PHE 62 N 0.0069 0.0043 -0.0020 506 PHE 62 CA 0.0065 0.0052 -0.0004 507 PHE 62 C 0.0059 0.0061 0.0012 508 PHE 62 O 0.0054 0.0069 0.0026 509 PHE 62 CB 0.0048 0.0054 -0.0008 510 PHE 62 CG 0.0050 0.0046 -0.0025 511 PHE 62 CD1 0.0067 0.0041 -0.0025 512 PHE 62 CD2 0.0036 0.0043 -0.0039 513 PHE 62 CE1 0.0069 0.0033 -0.0041 514 PHE 62 CE2 0.0037 0.0036 -0.0054 515 PHE 62 CZ 0.0054 0.0031 -0.0056 516 PHE 62 H 0.0059 0.0041 -0.0030 517 PHE 62 HA 0.0078 0.0051 0.0002 518 PHE 62 HB2 0.0034 0.0057 -0.0010 519 PHE 62 HB3 0.0049 0.0060 0.0004 520 PHE 62 HD1 0.0079 0.0043 -0.0014 521 PHE 62 HD2 0.0022 0.0047 -0.0039 522 PHE 62 HE1 0.0083 0.0030 -0.0041 523 PHE 62 HE2 0.0025 0.0034 -0.0066 524 PHE 62 HZ 0.0055 0.0025 -0.0068 525 ARG 63 N 0.0102 0.0034 0.0043 526 ARG 63 CA 0.0084 0.0063 0.0049 527 ARG 63 C 0.0124 0.0057 0.0101 528 ARG 63 O 0.0117 0.0076 0.0112 529 ARG 63 CB 0.0059 0.0045 -0.0009 530 ARG 63 CG 0.0014 0.0062 -0.0058 531 ARG 63 CD -0.0010 0.0042 -0.0115 532 ARG 63 NE -0.0020 0.0065 -0.0107 533 ARG 63 CZ -0.0047 0.0062 -0.0151 534 ARG 63 NH1 -0.0070 0.0040 -0.0208 535 ARG 63 NH2 -0.0053 0.0082 -0.0138 536 ARG 63 H 0.0107 -0.0003 0.0010 537 ARG 63 HA 0.0059 0.0109 0.0060 538 ARG 63 HB2 0.0083 -0.0002 -0.0024 539 ARG 63 HB3 0.0051 0.0064 -0.0001 540 ARG 63 HG2 -0.0010 0.0109 -0.0044 541 ARG 63 HG3 0.0022 0.0044 -0.0066 542 ARG 63 HD2 -0.0042 0.0057 -0.0148 543 ARG 63 HD3 0.0014 -0.0005 -0.0131 544 ARG 63 HE -0.0005 0.0083 -0.0065 545 ARG 63 HH11 -0.0067 0.0026 -0.0219 546 ARG 63 HH12 -0.0090 0.0037 -0.0242 547 ARG 63 HH21 -0.0037 0.0099 -0.0095 548 ARG 63 HH22 -0.0073 0.0081 -0.0169 549 SER 64 N 0.0198 0.0098 0.0125 550 SER 64 CA 0.0246 0.0115 0.0167 551 SER 64 C 0.0207 0.0121 0.0199 552 SER 64 O 0.0192 0.0109 0.0164 553 SER 64 CB 0.0308 0.0108 0.0122 554 SER 64 OG 0.0336 0.0097 0.0078 555 SER 64 H 0.0197 0.0083 0.0077 556 SER 64 HA 0.0265 0.0128 0.0205 557 SER 64 HB2 0.0289 0.0097 0.0092 558 SER 64 HB3 0.0349 0.0121 0.0154 559 SER 64 HG 0.0362 0.0107 0.0104 560 LYS 65 N 0.0300 0.0097 0.0261 561 LYS 65 CA 0.0153 0.0071 0.0352 562 LYS 65 C 0.0188 0.0077 0.0338 563 LYS 65 O 0.0055 0.0055 0.0322 564 LYS 65 CB 0.0105 0.0059 0.0561 565 LYS 65 CG 0.0272 0.0085 0.0702 566 LYS 65 CD 0.0374 0.0101 0.0749 567 LYS 65 CE 0.0537 0.0126 0.0888 568 LYS 65 NZ 0.0645 0.0144 0.0927 569 LYS 65 H 0.0372 0.0108 0.0338 570 LYS 65 HA 0.0030 0.0051 0.0265 571 LYS 65 HB2 0.0011 0.0042 0.0623 572 LYS 65 HB3 0.0031 0.0047 0.0552 573 LYS 65 HG2 0.0219 0.0074 0.0834 574 LYS 65 HG3 0.0372 0.0103 0.0641 575 LYS 65 HD2 0.0428 0.0113 0.0619 576 LYS 65 HD3 0.0274 0.0083 0.0813 577 LYS 65 HE2 0.0479 0.0115 0.1021 578 LYS 65 HE3 0.0629 0.0143 0.0827 579 LYS 65 HZ1 0.0560 0.0129 0.0985 580 LYS 65 HZ2 0.0707 0.0156 0.0803 581 LYS 65 HZ3 0.0752 0.0160 0.1025 582 ASP 66 N 0.0283 0.0150 0.0388 583 ASP 66 CA 0.0281 0.0166 0.0332 584 ASP 66 C 0.0235 0.0180 0.0186 585 ASP 66 O 0.0183 0.0163 0.0131 586 ASP 66 CB 0.0400 0.0235 0.0356 587 ASP 66 CG 0.0400 0.0246 0.0323 588 ASP 66 OD1 0.0389 0.0212 0.0408 589 ASP 66 OD2 0.0415 0.0289 0.0213 590 ASP 66 H 0.0357 0.0189 0.0415 591 ASP 66 HA 0.0225 0.0114 0.0380 592 ASP 66 HB2 0.0435 0.0227 0.0456 593 ASP 66 HB3 0.0451 0.0287 0.0297 594 HIS 67 N 0.0144 0.0144 0.0109 595 HIS 67 CA 0.0136 0.0143 0.0068 596 HIS 67 C 0.0096 0.0130 0.0061 597 HIS 67 O 0.0087 0.0128 0.0041 598 HIS 67 CB 0.0144 0.0148 0.0046 599 HIS 67 CG 0.0140 0.0149 0.0004 600 HIS 67 ND1 0.0147 0.0153 -0.0017 601 HIS 67 CD2 0.0140 0.0151 -0.0019 602 HIS 67 CE1 0.0154 0.0158 -0.0052 603 HIS 67 NE2 0.0150 0.0156 -0.0055 604 HIS 67 H 0.0152 0.0146 0.0120 605 HIS 67 HA 0.0151 0.0150 0.0056 606 HIS 67 HB2 0.0173 0.0158 0.0048 607 HIS 67 HB3 0.0127 0.0141 0.0056 608 HIS 67 HD1 0.0148 0.0153 -0.0008 609 HIS 67 HD2 0.0129 0.0146 -0.0010 610 HIS 67 HE1 0.0160 0.0161 -0.0076 611 LYS 68 N 0.0085 0.0101 0.0086 612 LYS 68 CA 0.0056 0.0094 0.0082 613 LYS 68 C 0.0048 0.0093 0.0100 614 LYS 68 O 0.0029 0.0089 0.0093 615 LYS 68 CB 0.0040 0.0091 0.0089 616 LYS 68 CG 0.0050 0.0093 0.0072 617 LYS 68 CD 0.0033 0.0089 0.0080 618 LYS 68 CE 0.0038 0.0092 0.0112 619 LYS 68 NZ 0.0023 0.0089 0.0120 620 LYS 68 H 0.0090 0.0103 0.0096 621 LYS 68 HA 0.0053 0.0093 0.0060 622 LYS 68 HB2 0.0042 0.0093 0.0111 623 LYS 68 HB3 0.0018 0.0086 0.0084 624 LYS 68 HG2 0.0051 0.0092 0.0049 625 LYS 68 HG3 0.0072 0.0098 0.0076 626 LYS 68 HD2 0.0011 0.0084 0.0077 627 LYS 68 HD3 0.0040 0.0090 0.0067 628 LYS 68 HE2 0.0059 0.0097 0.0115 629 LYS 68 HE3 0.0030 0.0090 0.0125 630 LYS 68 HZ1 0.0002 0.0084 0.0117 631 LYS 68 HZ2 0.0027 0.0090 0.0141 632 LYS 68 HZ3 0.0031 0.0090 0.0108 633 LYS 69 N 0.0017 0.0001 0.0103 634 LYS 69 CA -0.0024 -0.0045 0.0110 635 LYS 69 C -0.0060 -0.0007 0.0000 636 LYS 69 O -0.0137 -0.0059 -0.0038 637 LYS 69 CB 0.0050 -0.0026 0.0191 638 LYS 69 CG 0.0034 -0.0042 0.0192 639 LYS 69 CD 0.0122 -0.0007 0.0272 640 LYS 69 CE 0.0123 -0.0013 0.0280 641 LYS 69 NZ 0.0214 0.0028 0.0356 642 LYS 69 H 0.0081 0.0032 0.0152 643 LYS 69 HA -0.0078 -0.0118 0.0136 644 LYS 69 HB2 0.0061 -0.0068 0.0270 645 LYS 69 HB3 0.0111 0.0045 0.0178 646 LYS 69 HG2 0.0019 -0.0003 0.0111 647 LYS 69 HG3 -0.0021 -0.0115 0.0216 648 LYS 69 HD2 0.0134 -0.0049 0.0349 649 LYS 69 HD3 0.0177 0.0063 0.0249 650 LYS 69 HE2 0.0107 0.0025 0.0202 651 LYS 69 HE3 0.0073 -0.0083 0.0309 652 LYS 69 HZ1 0.0219 0.0029 0.0362 653 LYS 69 HZ2 0.0263 0.0096 0.0329 654 LYS 69 HZ3 0.0231 -0.0006 0.0431 655 ARG 70 N 0.0029 0.0040 0.0014 656 ARG 70 CA -0.0058 0.0098 -0.0059 657 ARG 70 C -0.0087 0.0106 -0.0084 658 ARG 70 O -0.0167 0.0099 -0.0153 659 ARG 70 CB -0.0055 0.0222 -0.0054 660 ARG 70 CG -0.0146 0.0284 -0.0132 661 ARG 70 CD -0.0212 0.0212 -0.0189 662 ARG 70 NE -0.0302 0.0266 -0.0265 663 ARG 70 CZ -0.0378 0.0205 -0.0332 664 ARG 70 NH1 -0.0376 0.0087 -0.0332 665 ARG 70 NH2 -0.0456 0.0263 -0.0397 666 ARG 70 H 0.0082 0.0088 0.0060 667 ARG 70 HA -0.0104 0.0045 -0.0100 668 ARG 70 HB2 -0.0024 0.0218 -0.0028 669 ARG 70 HB3 -0.0012 0.0275 -0.0017 670 ARG 70 HG2 -0.0138 0.0370 -0.0123 671 ARG 70 HG3 -0.0173 0.0295 -0.0154 672 ARG 70 HD2 -0.0218 0.0125 -0.0196 673 ARG 70 HD3 -0.0186 0.0203 -0.0168 674 ARG 70 HE -0.0303 0.0353 -0.0265 675 ARG 70 HH11 -0.0319 0.0039 -0.0284 676 ARG 70 HH12 -0.0433 0.0040 -0.0381 677 ARG 70 HH21 -0.0459 0.0352 -0.0398 678 ARG 70 HH22 -0.0516 0.0222 -0.0449 679 LEU 71 N -0.0045 0.0097 -0.0020 680 LEU 71 CA -0.0051 0.0101 -0.0025 681 LEU 71 C -0.0065 0.0058 -0.0037 682 LEU 71 O -0.0088 0.0058 -0.0056 683 LEU 71 CB -0.0019 0.0112 0.0002 684 LEU 71 CG -0.0001 0.0154 0.0018 685 LEU 71 CD1 0.0030 0.0162 0.0044 686 LEU 71 CD2 -0.0024 0.0193 -0.0002 687 LEU 71 H -0.0022 0.0097 -0.0000 688 LEU 71 HA -0.0069 0.0127 -0.0040 689 LEU 71 HB2 -0.0002 0.0085 0.0017 690 LEU 71 HB3 -0.0025 0.0113 -0.0003 691 LEU 71 HG 0.0008 0.0150 0.0025 692 LEU 71 HD11 0.0022 0.0165 0.0037 693 LEU 71 HD12 0.0047 0.0134 0.0058 694 LEU 71 HD13 0.0042 0.0191 0.0054 695 LEU 71 HD21 -0.0045 0.0189 -0.0019 696 LEU 71 HD22 -0.0034 0.0197 -0.0010 697 LEU 71 HD23 -0.0010 0.0222 0.0010 698 LYS 72 N -0.0067 -0.0018 -0.0043 699 LYS 72 CA -0.0070 -0.0089 -0.0070 700 LYS 72 C -0.0142 -0.0104 -0.0121 701 LYS 72 O -0.0166 -0.0130 -0.0145 702 LYS 72 CB -0.0024 -0.0152 -0.0061 703 LYS 72 CG -0.0023 -0.0230 -0.0086 704 LYS 72 CD 0.0027 -0.0288 -0.0074 705 LYS 72 CE 0.0030 -0.0366 -0.0099 706 LYS 72 NZ 0.0080 -0.0422 -0.0085 707 LYS 72 H -0.0040 -0.0017 -0.0025 708 LYS 72 HA -0.0054 -0.0087 -0.0058 709 LYS 72 HB2 0.0026 -0.0141 -0.0025 710 LYS 72 HB3 -0.0041 -0.0153 -0.0072 711 LYS 72 HG2 -0.0071 -0.0245 -0.0123 712 LYS 72 HG3 -0.0009 -0.0230 -0.0077 713 LYS 72 HD2 0.0076 -0.0273 -0.0037 714 LYS 72 HD3 0.0013 -0.0289 -0.0083 715 LYS 72 HE2 -0.0019 -0.0381 -0.0135 716 LYS 72 HE3 0.0042 -0.0364 -0.0090 717 LYS 72 HZ1 0.0070 -0.0426 -0.0093 718 LYS 72 HZ2 0.0127 -0.0409 -0.0050 719 LYS 72 HZ3 0.0081 -0.0475 -0.0103 720 GLN 73 N -0.0174 -0.0119 -0.0164 721 GLN 73 CA -0.0258 -0.0126 -0.0240 722 GLN 73 C -0.0315 -0.0059 -0.0276 723 GLN 73 O -0.0375 -0.0091 -0.0337 724 GLN 73 CB -0.0276 -0.0091 -0.0249 725 GLN 73 CG -0.0226 -0.0157 -0.0219 726 GLN 73 CD -0.0244 -0.0117 -0.0225 727 GLN 73 OE1 -0.0265 -0.0022 -0.0223 728 GLN 73 NE2 -0.0235 -0.0187 -0.0234 729 GLN 73 H -0.0141 -0.0084 -0.0126 730 GLN 73 HA -0.0267 -0.0207 -0.0267 731 GLN 73 HB2 -0.0266 -0.0010 -0.0221 732 GLN 73 HB3 -0.0339 -0.0094 -0.0305 733 GLN 73 HG2 -0.0239 -0.0237 -0.0249 734 GLN 73 HG3 -0.0163 -0.0156 -0.0163 735 GLN 73 HE21 -0.0218 -0.0261 -0.0235 736 GLN 73 HE22 -0.0245 -0.0166 -0.0238 737 LEU 74 N -0.0257 0.0020 -0.0214 738 LEU 74 CA -0.0295 0.0078 -0.0231 739 LEU 74 C -0.0288 0.0062 -0.0229 740 LEU 74 O -0.0324 0.0095 -0.0250 741 LEU 74 CB -0.0280 0.0157 -0.0203 742 LEU 74 CG -0.0321 0.0226 -0.0220 743 LEU 74 CD1 -0.0388 0.0225 -0.0273 744 LEU 74 CD2 -0.0299 0.0301 -0.0187 745 LEU 74 H -0.0219 0.0033 -0.0181 746 LEU 74 HA -0.0342 0.0074 -0.0269 747 LEU 74 HB2 -0.0281 0.0163 -0.0202 748 LEU 74 HB3 -0.0234 0.0157 -0.0166 749 LEU 74 HG -0.0317 0.0223 -0.0218 750 LEU 74 HD11 -0.0415 0.0275 -0.0284 751 LEU 74 HD12 -0.0393 0.0227 -0.0277 752 LEU 74 HD13 -0.0404 0.0174 -0.0296 753 LEU 74 HD21 -0.0302 0.0305 -0.0189 754 LEU 74 HD22 -0.0328 0.0349 -0.0200 755 LEU 74 HD23 -0.0252 0.0302 -0.0150 756 SER 75 N -0.0250 0.0037 -0.0166 757 SER 75 CA -0.0223 0.0032 -0.0155 758 SER 75 C -0.0183 0.0122 -0.0112 759 SER 75 O -0.0178 0.0144 -0.0103 760 SER 75 CB -0.0301 0.0010 -0.0197 761 SER 75 OG -0.0275 -0.0001 -0.0189 762 SER 75 H -0.0213 0.0001 -0.0159 763 SER 75 HA -0.0170 -0.0025 -0.0147 764 SER 75 HB2 -0.0325 -0.0054 -0.0226 765 SER 75 HB3 -0.0354 0.0066 -0.0206 766 SER 75 HG -0.0299 -0.0056 -0.0215 767 VAL 76 N -0.0106 0.0127 -0.0042 768 VAL 76 CA -0.0082 0.0177 -0.0009 769 VAL 76 C -0.0028 0.0163 0.0012 770 VAL 76 O -0.0019 0.0184 0.0025 771 VAL 76 CB -0.0074 0.0206 0.0007 772 VAL 76 CG1 -0.0048 0.0257 0.0042 773 VAL 76 CG2 -0.0127 0.0221 -0.0012 774 VAL 76 H -0.0112 0.0114 -0.0050 775 VAL 76 HA -0.0109 0.0206 -0.0010 776 VAL 76 HB -0.0048 0.0176 0.0007 777 VAL 76 HG11 -0.0042 0.0276 0.0052 778 VAL 76 HG12 -0.0073 0.0286 0.0041 779 VAL 76 HG13 -0.0008 0.0245 0.0056 780 VAL 76 HG21 -0.0121 0.0240 -0.0001 781 VAL 76 HG22 -0.0145 0.0184 -0.0037 782 VAL 76 HG23 -0.0155 0.0250 -0.0014 783 GLU 77 N 0.0009 0.0121 0.0030 784 GLU 77 CA 0.0049 0.0113 0.0038 785 GLU 77 C 0.0065 0.0081 0.0011 786 GLU 77 O 0.0067 0.0072 0.0002 787 GLU 77 CB 0.0066 0.0131 0.0064 788 GLU 77 CG 0.0051 0.0132 0.0060 789 GLU 77 CD 0.0071 0.0149 0.0085 790 GLU 77 OE1 0.0062 0.0175 0.0109 791 GLU 77 OE2 0.0095 0.0136 0.0081 792 GLU 77 H -0.0003 0.0111 0.0016 793 GLU 77 HA 0.0057 0.0116 0.0045 794 GLU 77 HB2 0.0096 0.0121 0.0065 795 GLU 77 HB3 0.0061 0.0151 0.0084 796 GLU 77 HG2 0.0021 0.0142 0.0058 797 GLU 77 HG3 0.0057 0.0111 0.0040 798 PRO 78 N 0.0094 0.0051 -0.0010 799 PRO 78 CA 0.0123 -0.0006 -0.0039 800 PRO 78 C 0.0192 -0.0011 -0.0019 801 PRO 78 O 0.0224 0.0014 0.0009 802 PRO 78 CB 0.0112 -0.0026 -0.0057 803 PRO 78 CG 0.0061 0.0017 -0.0045 804 PRO 78 CD 0.0069 0.0069 -0.0006 805 PRO 78 HA 0.0102 -0.0029 -0.0062 806 PRO 78 HB2 0.0154 -0.0029 -0.0044 807 PRO 78 HB3 0.0098 -0.0065 -0.0088 808 PRO 78 HG2 0.0067 0.0019 -0.0041 809 PRO 78 HG3 0.0016 0.0007 -0.0067 810 PRO 78 HD2 0.0102 0.0088 0.0019 811 PRO 78 HD3 0.0024 0.0096 -0.0003 812 TYR 79 N 0.0220 -0.0003 -0.0053 813 TYR 79 CA 0.0260 -0.0005 -0.0050 814 TYR 79 C 0.0237 0.0014 0.0005 815 TYR 79 O 0.0260 0.0031 0.0060 816 TYR 79 CB 0.0336 -0.0009 -0.0048 817 TYR 79 CG 0.0361 -0.0029 -0.0107 818 TYR 79 CD1 0.0363 -0.0030 -0.0111 819 TYR 79 CD2 0.0382 -0.0047 -0.0160 820 TYR 79 CE1 0.0385 -0.0049 -0.0165 821 TYR 79 CE2 0.0404 -0.0066 -0.0214 822 TYR 79 CZ 0.0406 -0.0067 -0.0217 823 TYR 79 OH 0.0428 -0.0085 -0.0271 824 TYR 79 H 0.0189 -0.0013 -0.0089 825 TYR 79 HA 0.0247 -0.0018 -0.0094 826 TYR 79 HB2 0.0349 0.0004 -0.0007 827 TYR 79 HB3 0.0361 -0.0009 -0.0044 828 TYR 79 HD1 0.0347 -0.0017 -0.0071 829 TYR 79 HD2 0.0380 -0.0046 -0.0157 830 TYR 79 HE1 0.0387 -0.0050 -0.0167 831 TYR 79 HE2 0.0420 -0.0079 -0.0254 832 TYR 79 HH 0.0404 -0.0095 -0.0307 833 SER 80 N 0.0157 0.0049 0.0034 834 SER 80 CA 0.0141 0.0063 0.0061 835 SER 80 C 0.0152 0.0061 0.0072 836 SER 80 O 0.0176 0.0048 0.0062 837 SER 80 CB 0.0106 0.0076 0.0050 838 SER 80 OG 0.0087 0.0091 0.0076 839 SER 80 H 0.0150 0.0046 0.0013 840 SER 80 HA 0.0145 0.0067 0.0081 841 SER 80 HB2 0.0099 0.0076 0.0041 842 SER 80 HB3 0.0101 0.0073 0.0030 843 SER 80 HG 0.0087 0.0094 0.0088 844 GLN 81 N 0.0066 0.0113 0.0075 845 GLN 81 CA 0.0058 0.0113 0.0057 846 GLN 81 C 0.0057 0.0117 0.0058 847 GLN 81 O 0.0064 0.0112 0.0071 848 GLN 81 CB 0.0059 0.0094 0.0046 849 GLN 81 CG 0.0051 0.0095 0.0026 850 GLN 81 CD 0.0052 0.0076 0.0015 851 GLN 81 OE1 0.0059 0.0062 0.0021 852 GLN 81 NE2 0.0045 0.0077 -0.0002 853 GLN 81 H 0.0071 0.0102 0.0080 854 GLN 81 HA 0.0052 0.0124 0.0051 855 GLN 81 HB2 0.0061 0.0091 0.0047 856 GLN 81 HB3 0.0065 0.0084 0.0051 857 GLN 81 HG2 0.0049 0.0099 0.0025 858 GLN 81 HG3 0.0045 0.0104 0.0021 859 GLN 81 HE21 0.0039 0.0089 -0.0005 860 GLN 81 HE22 0.0045 0.0065 -0.0009 861 GLU 82 N 0.0071 0.0084 0.0101 862 GLU 82 CA 0.0061 0.0110 0.0104 863 GLU 82 C 0.0079 0.0102 0.0082 864 GLU 82 O 0.0074 0.0119 0.0082 865 GLU 82 CB 0.0051 0.0152 0.0098 866 GLU 82 CG 0.0039 0.0181 0.0102 867 GLU 82 CD 0.0030 0.0220 0.0097 868 GLU 82 OE1 0.0044 0.0237 0.0070 869 GLU 82 OE2 0.0007 0.0235 0.0121 870 GLU 82 H 0.0066 0.0061 0.0118 871 GLU 82 HA 0.0045 0.0101 0.0128 872 GLU 82 HB2 0.0038 0.0155 0.0115 873 GLU 82 HB3 0.0067 0.0159 0.0074 874 GLU 82 HG2 0.0053 0.0180 0.0084 875 GLU 82 HG3 0.0024 0.0174 0.0125 876 GLU 83 N 0.0143 0.0071 0.0052 877 GLU 83 CA 0.0186 0.0045 0.0005 878 GLU 83 C 0.0234 0.0001 0.0037 879 GLU 83 O 0.0267 -0.0025 0.0036 880 GLU 83 CB 0.0180 0.0058 -0.0049 881 GLU 83 CG 0.0223 0.0032 -0.0101 882 GLU 83 CD 0.0212 0.0050 -0.0156 883 GLU 83 OE1 0.0215 0.0047 -0.0151 884 GLU 83 OE2 0.0200 0.0067 -0.0205 885 GLU 83 H 0.0138 0.0070 0.0080 886 GLU 83 HA 0.0187 0.0047 -0.0014 887 GLU 83 HB2 0.0146 0.0089 -0.0070 888 GLU 83 HB3 0.0175 0.0058 -0.0029 889 GLU 83 HG2 0.0256 0.0002 -0.0081 890 GLU 83 HG3 0.0230 0.0029 -0.0118 891 ALA 84 N 0.0220 0.0040 0.0027 892 ALA 84 CA 0.0242 0.0006 0.0044 893 ALA 84 C 0.0212 -0.0018 0.0077 894 ALA 84 O 0.0225 -0.0051 0.0098 895 ALA 84 CB 0.0280 -0.0013 0.0044 896 ALA 84 H 0.0215 0.0040 0.0029 897 ALA 84 HA 0.0253 0.0013 0.0034 898 ALA 84 HB1 0.0296 -0.0038 0.0057 899 ALA 84 HB2 0.0269 -0.0019 0.0053 900 ALA 84 HB3 0.0302 0.0004 0.0020 901 GLU 85 N 0.0102 0.0046 0.0061 902 GLU 85 CA 0.0102 0.0046 0.0060 903 GLU 85 C 0.0108 0.0053 0.0074 904 GLU 85 O 0.0120 0.0060 0.0073 905 GLU 85 CB 0.0110 0.0048 0.0047 906 GLU 85 CG 0.0109 0.0046 0.0044 907 GLU 85 CD 0.0116 0.0053 0.0053 908 GLU 85 OE1 0.0127 0.0059 0.0050 909 GLU 85 OE2 0.0110 0.0052 0.0064 910 GLU 85 H 0.0106 0.0051 0.0068 911 GLU 85 HA 0.0093 0.0041 0.0061 912 GLU 85 HB2 0.0107 0.0044 0.0038 913 GLU 85 HB3 0.0120 0.0054 0.0047 914 GLU 85 HG2 0.0099 0.0041 0.0047 915 GLU 85 HG3 0.0112 0.0045 0.0033 916 ARG 86 N 0.0082 0.0068 0.0077 917 ARG 86 CA 0.0131 0.0037 0.0116 918 ARG 86 C 0.0143 0.0041 0.0065 919 ARG 86 O 0.0092 0.0074 0.0021 920 ARG 86 CB 0.0101 0.0033 0.0213 921 ARG 86 CG 0.0011 0.0074 0.0232 922 ARG 86 CD -0.0022 0.0098 0.0190 923 ARG 86 NE -0.0108 0.0137 0.0204 924 ARG 86 CZ -0.0156 0.0168 0.0163 925 ARG 86 NH1 -0.0127 0.0165 0.0106 926 ARG 86 NH2 -0.0233 0.0203 0.0179 927 ARG 86 H 0.0029 0.0097 0.0063 928 ARG 86 HA 0.0188 0.0009 0.0116 929 ARG 86 HB2 0.0129 0.0015 0.0235 930 ARG 86 HB3 0.0119 0.0017 0.0250 931 ARG 86 HG2 -0.0002 0.0067 0.0301 932 ARG 86 HG3 -0.0018 0.0092 0.0209 933 ARG 86 HD2 -0.0005 0.0102 0.0121 934 ARG 86 HD3 0.0002 0.0080 0.0218 935 ARG 86 HE -0.0131 0.0140 0.0247 936 ARG 86 HH11 -0.0069 0.0139 0.0092 937 ARG 86 HH12 -0.0162 0.0188 0.0075 938 ARG 86 HH21 -0.0258 0.0207 0.0221 939 ARG 86 HH22 -0.0272 0.0228 0.0149 940 ALA 87 N 0.0192 0.0037 0.0103 941 ALA 87 CA 0.0254 0.0034 0.0064 942 ALA 87 C 0.0265 -0.0016 0.0099 943 ALA 87 O 0.0324 -0.0052 0.0090 944 ALA 87 CB 0.0318 0.0014 0.0038 945 ALA 87 H 0.0197 0.0002 0.0130 946 ALA 87 HA 0.0246 0.0081 0.0029 947 ALA 87 HB1 0.0325 -0.0033 0.0073 948 ALA 87 HB2 0.0309 0.0049 0.0014 949 ALA 87 HB3 0.0364 0.0010 0.0010 950 ALA 88 N 0.0257 -0.0024 0.0152 951 ALA 88 CA 0.0236 -0.0055 0.0255 952 ALA 88 C 0.0118 0.0012 0.0251 953 ALA 88 O 0.0017 0.0041 0.0317 954 ALA 88 CB 0.0232 -0.0108 0.0387 955 ALA 88 H 0.0188 0.0019 0.0140 956 ALA 88 HA 0.0312 -0.0091 0.0238 957 ALA 88 HB1 0.0156 -0.0073 0.0405 958 ALA 88 HB2 0.0318 -0.0156 0.0387 959 ALA 88 HB3 0.0219 -0.0132 0.0462 960 GLY 89 N 0.0085 0.0052 0.0086 961 GLY 89 CA -0.0005 0.0136 0.0063 962 GLY 89 C -0.0003 0.0141 -0.0035 963 GLY 89 O 0.0041 0.0099 -0.0020 964 GLY 89 H 0.0136 0.0008 0.0026 965 GLY 89 HA2 -0.0036 0.0159 0.0148 966 GLY 89 HA3 -0.0045 0.0175 0.0032 967 MET 90 N -0.0036 0.0180 -0.0235 968 MET 90 CA -0.0039 0.0174 -0.0197 969 MET 90 C -0.0017 0.0167 -0.0226 970 MET 90 O -0.0042 0.0186 -0.0255 971 MET 90 CB -0.0092 0.0200 -0.0170 972 MET 90 CG -0.0098 0.0195 -0.0120 973 MET 90 SD -0.0079 0.0187 -0.0136 974 MET 90 CE -0.0096 0.0186 -0.0071 975 MET 90 H -0.0016 0.0167 -0.0226 976 MET 90 HA -0.0015 0.0155 -0.0164 977 MET 90 HB2 -0.0107 0.0207 -0.0155 978 MET 90 HB3 -0.0114 0.0219 -0.0202 979 MET 90 HG2 -0.0076 0.0177 -0.0088 980 MET 90 HG3 -0.0136 0.0214 -0.0104 981 MET 90 HE1 -0.0076 0.0169 -0.0039 982 MET 90 HE2 -0.0087 0.0181 -0.0074 983 MET 90 HE3 -0.0135 0.0206 -0.0060 984 GLY 91 N 0.0082 0.0146 -0.0282 985 GLY 91 CA 0.0117 0.0120 -0.0308 986 GLY 91 C 0.0134 0.0041 -0.0183 987 GLY 91 O 0.0222 -0.0055 -0.0181 988 GLY 91 H 0.0125 0.0085 -0.0255 989 GLY 91 HA2 0.0059 0.0195 -0.0335 990 GLY 91 HA3 0.0189 0.0083 -0.0392 991 SER 92 N -0.0028 0.0015 -0.0138 992 SER 92 CA -0.0024 -0.0033 -0.0048 993 SER 92 C -0.0057 -0.0006 -0.0012 994 SER 92 O -0.0112 0.0064 0.0003 995 SER 92 CB -0.0052 -0.0028 0.0022 996 SER 92 OG -0.0021 -0.0053 -0.0014 997 SER 92 H -0.0068 0.0074 -0.0142 998 SER 92 HA 0.0024 -0.0095 -0.0056 999 SER 92 HB2 -0.0101 0.0035 0.0031 1000 SER 92 HB3 -0.0048 -0.0067 0.0089 1001 SER 92 HG 0.0004 -0.0056 -0.0079 1002 TYR 93 N 0.0040 -0.0166 0.0108 1003 TYR 93 CA 0.0024 -0.0155 0.0088 1004 TYR 93 C 0.0022 -0.0161 0.0094 1005 TYR 93 O 0.0038 -0.0169 0.0111 1006 TYR 93 CB 0.0040 -0.0133 0.0069 1007 TYR 93 CG 0.0024 -0.0119 0.0046 1008 TYR 93 CD1 0.0007 -0.0115 0.0031 1009 TYR 93 CD2 0.0027 -0.0112 0.0038 1010 TYR 93 CE1 -0.0007 -0.0103 0.0010 1011 TYR 93 CE2 0.0013 -0.0100 0.0017 1012 TYR 93 CZ -0.0004 -0.0095 0.0003 1013 TYR 93 OH -0.0019 -0.0084 -0.0019 1014 TYR 93 H 0.0059 -0.0162 0.0114 1015 TYR 93 HA 0.0004 -0.0159 0.0083 1016 TYR 93 HB2 0.0045 -0.0129 0.0068 1017 TYR 93 HB3 0.0059 -0.0129 0.0074 1018 TYR 93 HD1 0.0005 -0.0120 0.0037 1019 TYR 93 HD2 0.0040 -0.0116 0.0049 1020 TYR 93 HE1 -0.0021 -0.0099 -0.0002 1021 TYR 93 HE2 0.0015 -0.0094 0.0011 1022 TYR 93 HH -0.0027 -0.0089 -0.0017 1023 VAL 94 N 0.0021 -0.0206 0.0121 1024 VAL 94 CA 0.0011 -0.0174 0.0062 1025 VAL 94 C 0.0093 -0.0033 0.0066 1026 VAL 94 O 0.0112 0.0062 -0.0007 1027 VAL 94 CB -0.0076 -0.0203 -0.0083 1028 VAL 94 CG1 -0.0083 -0.0130 -0.0182 1029 VAL 94 CG2 -0.0086 -0.0174 -0.0137 1030 VAL 94 H -0.0020 -0.0229 0.0064 1031 VAL 94 HA 0.0008 -0.0238 0.0130 1032 VAL 94 HB -0.0131 -0.0306 -0.0074 1033 VAL 94 HG11 -0.0144 -0.0153 -0.0280 1034 VAL 94 HG12 -0.0028 -0.0026 -0.0190 1035 VAL 94 HG13 -0.0081 -0.0158 -0.0146 1036 VAL 94 HG21 -0.0031 -0.0072 -0.0143 1037 VAL 94 HG22 -0.0146 -0.0194 -0.0237 1038 VAL 94 HG23 -0.0088 -0.0234 -0.0071