1 ASN 1 N -0.0007 -0.0544 0.0062 2 ASN 1 CA -0.0002 -0.0631 0.0044 3 ASN 1 C 0.0010 -0.0621 0.0023 4 ASN 1 O -0.0010 -0.0669 0.0053 5 ASN 1 CB 0.0033 -0.0679 -0.0023 6 ASN 1 CG 0.0040 -0.0768 -0.0046 7 ASN 1 OD1 0.0081 -0.0796 -0.0119 8 ASN 1 ND2 0.0010 -0.0810 0.0002 9 ASN 1 H1 -0.0015 -0.0552 0.0076 10 ASN 1 H2 -0.0031 -0.0515 0.0108 11 ASN 1 HA -0.0034 -0.0671 0.0095 12 ASN 1 HB3 0.0064 -0.0637 -0.0073 13 ASN 1 HB2 0.0022 -0.0690 -0.0006 14 ASN 1 HD22 0.0016 -0.0869 -0.0014 15 ASN 1 HD21 -0.0019 -0.0786 0.0057 16 LEU 2 N 0.0044 -0.0560 -0.0029 17 LEU 2 CA 0.0057 -0.0540 -0.0049 18 LEU 2 C 0.0028 -0.0473 0.0009 19 LEU 2 O 0.0033 -0.0449 0.0004 20 LEU 2 CB 0.0106 -0.0503 -0.0131 21 LEU 2 CG 0.0142 -0.0568 -0.0201 22 LEU 2 CD1 0.0186 -0.0521 -0.0273 23 LEU 2 CD2 0.0147 -0.0611 -0.0214 24 LEU 2 H 0.0061 -0.0527 -0.0055 25 LEU 2 HA 0.0052 -0.0601 -0.0048 26 LEU 2 HB3 0.0111 -0.0463 -0.0135 27 LEU 2 HB2 0.0113 -0.0452 -0.0137 28 LEU 2 HG 0.0131 -0.0620 -0.0188 29 LEU 2 HD11 0.0211 -0.0569 -0.0322 30 LEU 2 HD12 0.0183 -0.0492 -0.0263 31 LEU 2 HD13 0.0197 -0.0468 -0.0286 32 LEU 2 HD21 0.0172 -0.0658 -0.0264 33 LEU 2 HD22 0.0156 -0.0560 -0.0225 34 LEU 2 HD23 0.0115 -0.0648 -0.0163 35 GLY 3 N 0.0016 -0.0237 0.0037 36 GLY 3 CA -0.0015 -0.0227 0.0005 37 GLY 3 C -0.0031 -0.0230 0.0000 38 GLY 3 O -0.0026 -0.0244 0.0026 39 GLY 3 H 0.0010 -0.0254 0.0062 40 GLY 3 HA3 -0.0041 -0.0236 0.0006 41 GLY 3 HA2 -0.0002 -0.0209 -0.0020 42 LEU 4 N -0.0050 -0.0216 -0.0034 43 LEU 4 CA -0.0066 -0.0215 -0.0043 44 LEU 4 C -0.0113 -0.0226 -0.0049 45 LEU 4 O -0.0132 -0.0221 -0.0068 46 LEU 4 CB -0.0049 -0.0190 -0.0077 47 LEU 4 CG -0.0055 -0.0185 -0.0088 48 LEU 4 CD1 -0.0033 -0.0197 -0.0056 49 LEU 4 CD2 -0.0037 -0.0158 -0.0123 50 LEU 4 H -0.0053 -0.0205 -0.0054 51 LEU 4 HA -0.0056 -0.0226 -0.0019 52 LEU 4 HB3 -0.0062 -0.0179 -0.0101 53 LEU 4 HB2 -0.0017 -0.0181 -0.0075 54 LEU 4 HG -0.0087 -0.0193 -0.0092 55 LEU 4 HD11 -0.0036 -0.0193 -0.0064 56 LEU 4 HD12 -0.0046 -0.0216 -0.0031 57 LEU 4 HD13 0.0000 -0.0189 -0.0051 58 LEU 4 HD21 -0.0040 -0.0154 -0.0131 59 LEU 4 HD22 -0.0004 -0.0151 -0.0119 60 LEU 4 HD23 -0.0053 -0.0150 -0.0145 61 ASP 5 N -0.0029 -0.0096 -0.0012 62 ASP 5 CA -0.0052 -0.0099 -0.0013 63 ASP 5 C -0.0053 -0.0097 -0.0023 64 ASP 5 O -0.0040 -0.0097 -0.0017 65 ASP 5 CB -0.0062 -0.0106 0.0010 66 ASP 5 CG -0.0069 -0.0108 0.0016 67 ASP 5 OD1 -0.0071 -0.0105 0.0002 68 ASP 5 OD2 -0.0073 -0.0113 0.0036 69 ASP 5 H -0.0018 -0.0097 -0.0002 70 ASP 5 HA -0.0062 -0.0098 -0.0024 71 ASP 5 HB3 -0.0076 -0.0108 0.0010 72 ASP 5 HB2 -0.0050 -0.0107 0.0022 73 CYS 6 N -0.0070 -0.0096 -0.0037 74 CYS 6 CA -0.0073 -0.0095 -0.0047 75 CYS 6 C -0.0097 -0.0098 -0.0047 76 CYS 6 O -0.0112 -0.0101 -0.0044 77 CYS 6 CB -0.0066 -0.0088 -0.0071 78 CYS 6 SG -0.0038 -0.0083 -0.0075 79 CYS 6 H -0.0080 -0.0097 -0.0042 80 CYS 6 HA -0.0063 -0.0095 -0.0038 81 CYS 6 HB3 -0.0068 -0.0087 -0.0078 82 CYS 6 HB2 -0.0077 -0.0088 -0.0081 83 ASP 7 N 0.0024 -0.0005 -0.0113 84 ASP 7 CA 0.0026 -0.0033 -0.0130 85 ASP 7 C 0.0051 -0.0063 -0.0167 86 ASP 7 O 0.0066 -0.0062 -0.0178 87 ASP 7 CB 0.0043 -0.0005 -0.0128 88 ASP 7 CG 0.0085 0.0027 -0.0143 89 ASP 7 OD1 0.0115 0.0012 -0.0174 90 ASP 7 OD2 0.0088 0.0067 -0.0122 91 ASP 7 H 0.0050 0.0015 -0.0122 92 ASP 7 HA -0.0005 -0.0054 -0.0118 93 ASP 7 HB3 0.0023 0.0014 -0.0102 94 ASP 7 HB2 0.0045 -0.0028 -0.0142 95 GLU 8 N 0.0056 -0.0090 -0.0185 96 GLU 8 CA 0.0079 -0.0122 -0.0220 97 GLU 8 C 0.0122 -0.0099 -0.0241 98 GLU 8 O 0.0140 -0.0118 -0.0266 99 GLU 8 CB 0.0077 -0.0153 -0.0236 100 GLU 8 CG 0.0079 -0.0131 -0.0226 101 GLU 8 CD 0.0041 -0.0118 -0.0190 102 GLU 8 OE1 0.0007 -0.0146 -0.0179 103 GLU 8 OE2 0.0046 -0.0080 -0.0172 104 GLU 8 H 0.0044 -0.0089 -0.0175 105 GLU 8 HA 0.0064 -0.0143 -0.0221 106 GLU 8 HB3 0.0049 -0.0181 -0.0230 107 GLU 8 HB2 0.0101 -0.0169 -0.0264 108 GLU 8 HG3 0.0085 -0.0154 -0.0243 109 GLU 8 HG2 0.0106 -0.0101 -0.0230 110 HIS 9 N 0.0126 -0.0071 -0.0283 111 HIS 9 CA 0.0196 -0.0056 -0.0316 112 HIS 9 C 0.0219 -0.0010 -0.0290 113 HIS 9 O 0.0261 0.0039 -0.0273 114 HIS 9 CB 0.0233 -0.0038 -0.0325 115 HIS 9 CG 0.0212 -0.0084 -0.0353 116 HIS 9 ND1 0.0224 -0.0134 -0.0407 117 HIS 9 CD2 0.0197 -0.0079 -0.0338 118 HIS 9 CE1 0.0207 -0.0163 -0.0422 119 HIS 9 NE2 0.0190 -0.0130 -0.0380 120 HIS 9 H 0.0101 -0.0048 -0.0244 121 HIS 9 HA 0.0203 -0.0095 -0.0357 122 HIS 9 HB3 0.0286 -0.0025 -0.0348 123 HIS 9 HB2 0.0228 0.0001 -0.0285 124 HIS 9 HD1 0.0243 -0.0144 -0.0429 125 HIS 9 HD2 0.0192 -0.0040 -0.0298 126 HIS 9 HE1 0.0208 -0.0206 -0.0462 127 SER 10 N 0.0188 -0.0029 -0.0286 128 SER 10 CA 0.0202 0.0001 -0.0268 129 SER 10 C 0.0224 -0.0036 -0.0317 130 SER 10 O 0.0199 -0.0090 -0.0349 131 SER 10 CB 0.0142 0.0010 -0.0219 132 SER 10 OG 0.0143 0.0009 -0.0221 133 SER 10 H 0.0150 -0.0068 -0.0296 134 SER 10 HA 0.0242 0.0043 -0.0256 135 SER 10 HB3 0.0097 -0.0025 -0.0221 136 SER 10 HB2 0.0141 0.0051 -0.0181 137 SER 10 HG 0.0105 0.0014 -0.0190 138 SER 11 N 0.0501 -0.0032 -0.0487 139 SER 11 CA 0.0534 -0.0113 -0.0546 140 SER 11 C 0.0447 -0.0106 -0.0488 141 SER 11 O 0.0485 -0.0118 -0.0518 142 SER 11 CB 0.0679 -0.0061 -0.0611 143 SER 11 OG 0.0707 0.0085 -0.0560 144 SER 11 H 0.0526 0.0074 -0.0453 145 SER 11 HA 0.0519 -0.0222 -0.0588 146 SER 11 HB3 0.0741 -0.0084 -0.0661 147 SER 11 HB2 0.0699 -0.0115 -0.0649 148 SER 11 HG 0.0652 0.0105 -0.0517 149 GLU 12 N 0.0328 -0.0087 -0.0406 150 GLU 12 CA 0.0229 -0.0077 -0.0340 151 GLU 12 C 0.0168 -0.0222 -0.0370 152 GLU 12 O 0.0108 -0.0316 -0.0377 153 GLU 12 CB 0.0122 -0.0012 -0.0243 154 GLU 12 CG 0.0009 -0.0006 -0.0169 155 GLU 12 CD 0.0054 0.0084 -0.0154 156 GLU 12 OE1 0.0094 0.0213 -0.0119 157 GLU 12 OE2 0.0049 0.0025 -0.0179 158 GLU 12 H 0.0302 -0.0078 -0.0385 159 GLU 12 HA 0.0277 -0.0010 -0.0338 160 GLU 12 HB3 0.0084 -0.0070 -0.0246 161 GLU 12 HB2 0.0167 0.0093 -0.0220 162 GLU 12 HG3 -0.0039 -0.0111 -0.0189 163 GLU 12 HG2 -0.0065 0.0036 -0.0104 164 SER 13 N 0.0130 -0.0094 -0.0314 165 SER 13 CA 0.0116 -0.0140 -0.0309 166 SER 13 C 0.0071 -0.0148 -0.0273 167 SER 13 O 0.0054 -0.0190 -0.0265 168 SER 13 CB 0.0132 -0.0140 -0.0323 169 SER 13 OG 0.0115 -0.0105 -0.0303 170 SER 13 H 0.0137 -0.0063 -0.0315 171 SER 13 HA 0.0126 -0.0172 -0.0322 172 SER 13 HB3 0.0164 -0.0131 -0.0348 173 SER 13 HB2 0.0127 -0.0178 -0.0324 174 SER 13 HG 0.0088 -0.0114 -0.0281 175 ARG 14 N 0.0052 -0.0107 -0.0251 176 ARG 14 CA 0.0010 -0.0109 -0.0215 177 ARG 14 C -0.0011 -0.0129 -0.0201 178 ARG 14 O 0.0005 -0.0129 -0.0215 179 ARG 14 CB -0.0003 -0.0057 -0.0197 180 ARG 14 CG 0.0018 -0.0033 -0.0210 181 ARG 14 CD -0.0011 -0.0011 -0.0183 182 ARG 14 NE 0.0009 0.0016 -0.0196 183 ARG 14 CZ 0.0021 -0.0005 -0.0209 184 ARG 14 NH1 0.0016 -0.0054 -0.0212 185 ARG 14 NH2 0.0039 0.0023 -0.0220 186 ARG 14 H 0.0068 -0.0073 -0.0258 187 ARG 14 HA 0.0001 -0.0134 -0.0212 188 ARG 14 HB3 -0.0034 -0.0060 -0.0171 189 ARG 14 HB2 0.0003 -0.0032 -0.0198 190 ARG 14 HG3 0.0040 -0.0003 -0.0224 191 ARG 14 HG2 0.0033 -0.0061 -0.0227 192 ARG 14 HD3 -0.0031 -0.0042 -0.0171 193 ARG 14 HD2 -0.0028 0.0014 -0.0165 194 ARG 14 HE 0.0013 0.0054 -0.0193 195 ARG 14 HH12 0.0025 -0.0070 -0.0222 196 ARG 14 HH11 0.0002 -0.0076 -0.0204 197 ARG 14 HH22 0.0048 0.0007 -0.0230 198 ARG 14 HH21 0.0043 0.0061 -0.0217 199 CYS 15 N -0.0037 -0.0117 -0.0137 200 CYS 15 CA -0.0053 -0.0122 -0.0130 201 CYS 15 C -0.0057 -0.0122 -0.0112 202 CYS 15 O -0.0047 -0.0119 -0.0101 203 CYS 15 CB -0.0052 -0.0121 -0.0130 204 CYS 15 SG -0.0070 -0.0127 -0.0121 205 CYS 15 H -0.0029 -0.0115 -0.0142 206 CYS 15 HA -0.0063 -0.0125 -0.0139 207 CYS 15 HB3 -0.0041 -0.0118 -0.0122 208 CYS 15 HB2 -0.0050 -0.0121 -0.0143 209 CYS 16 N -0.0071 -0.0127 -0.0110 210 CYS 16 CA -0.0075 -0.0127 -0.0095 211 CYS 16 C -0.0093 -0.0133 -0.0091 212 CYS 16 O -0.0103 -0.0136 -0.0103 213 CYS 16 CB -0.0069 -0.0126 -0.0097 214 CYS 16 SG -0.0068 -0.0125 -0.0078 215 CYS 16 H -0.0080 -0.0129 -0.0120 216 CYS 16 HA -0.0068 -0.0125 -0.0084 217 CYS 16 HB3 -0.0076 -0.0128 -0.0107 218 CYS 16 HB2 -0.0056 -0.0122 -0.0103 219 ARG 17 N -0.0058 -0.0104 -0.0055 220 ARG 17 CA -0.0076 -0.0105 -0.0050 221 ARG 17 C -0.0076 -0.0103 -0.0046 222 ARG 17 O -0.0066 -0.0098 -0.0036 223 ARG 17 CB -0.0084 -0.0100 -0.0034 224 ARG 17 CG -0.0105 -0.0101 -0.0030 225 ARG 17 CD -0.0112 -0.0096 -0.0014 226 ARG 17 NE -0.0103 -0.0089 0.0002 227 ARG 17 CZ -0.0111 -0.0084 0.0018 228 ARG 17 NH1 -0.0129 -0.0085 0.0020 229 ARG 17 NH2 -0.0102 -0.0078 0.0032 230 ARG 17 H -0.0049 -0.0100 -0.0045 231 ARG 17 HA -0.0085 -0.0110 -0.0061 232 ARG 17 HB3 -0.0076 -0.0095 -0.0022 233 ARG 17 HB2 -0.0083 -0.0100 -0.0036 234 ARG 17 HG3 -0.0113 -0.0106 -0.0041 235 ARG 17 HG2 -0.0106 -0.0100 -0.0028 236 ARG 17 HD3 -0.0111 -0.0096 -0.0015 237 ARG 17 HD2 -0.0127 -0.0097 -0.0012 238 ARG 17 HE -0.0090 -0.0088 0.0001 239 ARG 17 HH12 -0.0135 -0.0082 0.0032 240 ARG 17 HH11 -0.0136 -0.0090 0.0010 241 ARG 17 HH22 -0.0108 -0.0074 0.0044 242 ARG 17 HH21 -0.0088 -0.0077 0.0030 243 TYR 18 N -0.0088 -0.0108 -0.0055 244 TYR 18 CA -0.0090 -0.0107 -0.0053 245 TYR 18 C -0.0109 -0.0106 -0.0044 246 TYR 18 O -0.0122 -0.0108 -0.0046 247 TYR 18 CB -0.0088 -0.0114 -0.0071 248 TYR 18 CG -0.0069 -0.0114 -0.0079 249 TYR 18 CD1 -0.0063 -0.0117 -0.0089 250 TYR 18 CD2 -0.0057 -0.0112 -0.0078 251 TYR 18 CE1 -0.0046 -0.0118 -0.0096 252 TYR 18 CE2 -0.0039 -0.0113 -0.0085 253 TYR 18 CZ -0.0034 -0.0116 -0.0095 254 TYR 18 OH -0.0016 -0.0117 -0.0102 255 TYR 18 H -0.0096 -0.0112 -0.0064 256 TYR 18 HA -0.0079 -0.0103 -0.0045 257 TYR 18 HB3 -0.0092 -0.0114 -0.0070 258 TYR 18 HB2 -0.0098 -0.0118 -0.0080 259 TYR 18 HD1 -0.0073 -0.0119 -0.0090 260 TYR 18 HD2 -0.0061 -0.0110 -0.0070 261 TYR 18 HE1 -0.0042 -0.0120 -0.0104 262 TYR 18 HE2 -0.0029 -0.0111 -0.0084 263 TYR 18 HH -0.0015 -0.0119 -0.0108 264 PRO 19 N -0.0109 -0.0052 0.0006 265 PRO 19 CA -0.0095 -0.0030 -0.0003 266 PRO 19 C -0.0084 -0.0005 0.0011 267 PRO 19 O -0.0088 -0.0004 0.0035 268 PRO 19 CB -0.0099 -0.0034 0.0007 269 PRO 19 CG -0.0112 -0.0049 0.0031 270 PRO 19 CD -0.0120 -0.0066 0.0026 271 PRO 19 HA -0.0090 -0.0030 -0.0026 272 PRO 19 HB3 -0.0102 -0.0045 -0.0010 273 PRO 19 HB2 -0.0090 -0.0016 0.0013 274 PRO 19 HG3 -0.0119 -0.0061 0.0033 275 PRO 19 HG2 -0.0109 -0.0037 0.0051 276 PRO 19 HD2 -0.0125 -0.0068 0.0045 277 PRO 19 HD3 -0.0128 -0.0084 0.0014 278 LEU 20 N -0.0070 0.0014 -0.0004 279 LEU 20 CA -0.0058 0.0040 0.0007 280 LEU 20 C -0.0044 0.0059 -0.0010 281 LEU 20 O -0.0039 0.0059 -0.0035 282 LEU 20 CB -0.0056 0.0043 0.0007 283 LEU 20 CG -0.0043 0.0071 0.0016 284 LEU 20 CD1 -0.0045 0.0078 0.0047 285 LEU 20 CD2 -0.0039 0.0075 0.0010 286 LEU 20 H -0.0067 0.0012 -0.0024 287 LEU 20 HA -0.0061 0.0043 0.0029 288 LEU 20 HB3 -0.0055 0.0037 -0.0014 289 LEU 20 HB2 -0.0066 0.0031 0.0022 290 LEU 20 HG -0.0033 0.0083 0.0004 291 LEU 20 HD11 -0.0035 0.0097 0.0053 292 LEU 20 HD12 -0.0046 0.0076 0.0050 293 LEU 20 HD13 -0.0054 0.0065 0.0060 294 LEU 20 HD21 -0.0029 0.0095 0.0017 295 LEU 20 HD22 -0.0048 0.0063 0.0022 296 LEU 20 HD23 -0.0036 0.0071 -0.0013 297 THR 21 N -0.0053 0.0130 0.0024 298 THR 21 CA -0.0044 0.0135 0.0017 299 THR 21 C -0.0035 0.0137 0.0025 300 THR 21 O -0.0033 0.0137 0.0035 301 THR 21 CB -0.0039 0.0137 0.0013 302 THR 21 OG1 -0.0047 0.0135 0.0005 303 THR 21 CG2 -0.0029 0.0142 0.0007 304 THR 21 H -0.0054 0.0130 0.0029 305 THR 21 HA -0.0046 0.0135 0.0010 306 THR 21 HB -0.0037 0.0137 0.0020 307 THR 21 HG1 -0.0048 0.0136 -0.0001 308 THR 21 HG21 -0.0025 0.0144 0.0004 309 THR 21 HG22 -0.0023 0.0144 0.0012 310 THR 21 HG23 -0.0030 0.0142 -0.0001 311 VAL 22 N -0.0031 0.0139 0.0020 312 VAL 22 CA -0.0023 0.0142 0.0026 313 VAL 22 C -0.0012 0.0147 0.0020 314 VAL 22 O -0.0011 0.0148 0.0010 315 VAL 22 CB -0.0025 0.0141 0.0025 316 VAL 22 CG1 -0.0014 0.0145 0.0028 317 VAL 22 CG2 -0.0034 0.0137 0.0032 318 VAL 22 H -0.0034 0.0139 0.0012 319 VAL 22 HA -0.0022 0.0141 0.0035 320 VAL 22 HB -0.0027 0.0142 0.0016 321 VAL 22 HG11 -0.0016 0.0144 0.0027 322 VAL 22 HG12 -0.0008 0.0148 0.0022 323 VAL 22 HG13 -0.0012 0.0145 0.0037 324 VAL 22 HG21 -0.0035 0.0136 0.0031 325 VAL 22 HG22 -0.0032 0.0136 0.0041 326 VAL 22 HG23 -0.0041 0.0134 0.0029 327 ASP 23 N -0.0015 0.0147 0.0013 328 ASP 23 CA -0.0007 0.0131 0.0005 329 ASP 23 C 0.0004 0.0122 0.0017 330 ASP 23 O 0.0005 0.0123 0.0021 331 ASP 23 CB -0.0011 0.0129 -0.0010 332 ASP 23 CG -0.0004 0.0113 -0.0020 333 ASP 23 OD1 0.0005 0.0104 -0.0013 334 ASP 23 OD2 -0.0008 0.0111 -0.0034 335 ASP 23 H -0.0017 0.0152 0.0015 336 ASP 23 HA -0.0006 0.0128 0.0001 337 ASP 23 HB3 -0.0012 0.0132 -0.0007 338 ASP 23 HB2 -0.0019 0.0136 -0.0018 339 PHE 24 N 0.0011 0.0114 0.0022 340 PHE 24 CA 0.0022 0.0106 0.0034 341 PHE 24 C 0.0028 0.0094 0.0028 342 PHE 24 O 0.0033 0.0091 0.0038 343 PHE 24 CB 0.0028 0.0099 0.0040 344 PHE 24 CG 0.0024 0.0111 0.0050 345 PHE 24 CD1 0.0023 0.0120 0.0063 346 PHE 24 CD2 0.0022 0.0111 0.0044 347 PHE 24 CE1 0.0019 0.0131 0.0072 348 PHE 24 CE2 0.0018 0.0122 0.0053 349 PHE 24 CZ 0.0016 0.0132 0.0067 350 PHE 24 H 0.0010 0.0113 0.0017 351 PHE 24 HA 0.0021 0.0113 0.0044 352 PHE 24 HB3 0.0037 0.0092 0.0048 353 PHE 24 HB2 0.0029 0.0093 0.0030 354 PHE 24 HD1 0.0025 0.0120 0.0067 355 PHE 24 HD2 0.0023 0.0104 0.0034 356 PHE 24 HE1 0.0018 0.0138 0.0082 357 PHE 24 HE2 0.0016 0.0123 0.0049 358 PHE 24 HZ 0.0013 0.0140 0.0073 359 GLU 25 N 0.0027 0.0081 0.0009 360 GLU 25 CA 0.0028 0.0066 -0.0001 361 GLU 25 C 0.0018 0.0080 -0.0006 362 GLU 25 O 0.0023 0.0073 -0.0004 363 GLU 25 CB 0.0023 0.0050 -0.0023 364 GLU 25 CG 0.0027 0.0040 -0.0023 365 GLU 25 CD 0.0021 0.0024 -0.0046 366 GLU 25 OE1 0.0007 0.0033 -0.0062 367 GLU 25 OE2 0.0030 0.0003 -0.0047 368 GLU 25 H 0.0021 0.0083 0.0001 369 GLU 25 HA 0.0039 0.0055 0.0010 370 GLU 25 HB3 0.0027 0.0036 -0.0027 371 GLU 25 HB2 0.0010 0.0058 -0.0036 372 GLU 25 HG3 0.0022 0.0054 -0.0020 373 GLU 25 HG2 0.0039 0.0030 -0.0010 374 ALA 26 N 0.0005 0.0099 -0.0013 375 ALA 26 CA -0.0005 0.0114 -0.0019 376 ALA 26 C 0.0002 0.0126 0.0002 377 ALA 26 O -0.0004 0.0138 0.0001 378 ALA 26 CB -0.0020 0.0133 -0.0030 379 ALA 26 H 0.0002 0.0104 -0.0015 380 ALA 26 HA -0.0007 0.0103 -0.0030 381 ALA 26 HB1 -0.0028 0.0143 -0.0034 382 ALA 26 HB2 -0.0025 0.0124 -0.0045 383 ALA 26 HB3 -0.0019 0.0143 -0.0019 384 PHE 27 N 0.0007 0.0114 0.0019 385 PHE 27 CA 0.0013 0.0118 0.0036 386 PHE 27 C 0.0023 0.0100 0.0041 387 PHE 27 O 0.0028 0.0100 0.0051 388 PHE 27 CB 0.0017 0.0128 0.0053 389 PHE 27 CG 0.0008 0.0147 0.0051 390 PHE 27 CD1 -0.0003 0.0156 0.0035 391 PHE 27 CD2 0.0010 0.0157 0.0064 392 PHE 27 CE1 -0.0011 0.0173 0.0033 393 PHE 27 CE2 0.0002 0.0175 0.0062 394 PHE 27 CZ -0.0009 0.0183 0.0047 395 PHE 27 H 0.0010 0.0109 0.0020 396 PHE 27 HA 0.0008 0.0128 0.0034 397 PHE 27 HB3 0.0022 0.0129 0.0066 398 PHE 27 HB2 0.0022 0.0119 0.0055 399 PHE 27 HD1 -0.0004 0.0148 0.0024 400 PHE 27 HD2 0.0018 0.0151 0.0076 401 PHE 27 HE1 -0.0019 0.0180 0.0021 402 PHE 27 HE2 0.0003 0.0182 0.0073 403 PHE 27 HZ -0.0015 0.0197 0.0045 404 GLY 28 N 0.0026 0.0084 0.0032 405 GLY 28 CA 0.0034 0.0065 0.0035 406 GLY 28 C 0.0045 0.0057 0.0050 407 GLY 28 O 0.0053 0.0041 0.0054 408 GLY 28 H 0.0022 0.0085 0.0024 409 GLY 28 HA3 0.0035 0.0066 0.0038 410 GLY 28 HA2 0.0032 0.0056 0.0021 411 TRP 29 N 0.0040 0.0043 0.0045 412 TRP 29 CA 0.0057 0.0034 0.0069 413 TRP 29 C 0.0063 0.0006 0.0065 414 TRP 29 O 0.0061 0.0005 0.0063 415 TRP 29 CB 0.0060 0.0058 0.0084 416 TRP 29 CG 0.0055 0.0087 0.0089 417 TRP 29 CD1 0.0050 0.0093 0.0083 418 TRP 29 CD2 0.0055 0.0113 0.0101 419 TRP 29 NE1 0.0047 0.0122 0.0091 420 TRP 29 CE2 0.0050 0.0135 0.0102 421 TRP 29 CE3 0.0060 0.0120 0.0111 422 TRP 29 CZ2 0.0049 0.0163 0.0113 423 TRP 29 CZ3 0.0059 0.0149 0.0122 424 TRP 29 CH2 0.0053 0.0170 0.0123 425 TRP 29 H 0.0031 0.0059 0.0038 426 TRP 29 HA 0.0066 0.0032 0.0081 427 TRP 29 HB3 0.0073 0.0051 0.0101 428 TRP 29 HB2 0.0053 0.0060 0.0073 429 TRP 29 HD1 0.0049 0.0076 0.0074 430 TRP 29 HE1 0.0043 0.0131 0.0089 431 TRP 29 HE3 0.0064 0.0104 0.0110 432 TRP 29 HZ2 0.0045 0.0179 0.0113 433 TRP 29 HZ3 0.0062 0.0155 0.0129 434 TRP 29 HH2 0.0052 0.0192 0.0131 435 ASP 30 N 0.0070 -0.0018 0.0065 436 ASP 30 CA 0.0075 -0.0047 0.0061 437 ASP 30 C 0.0092 -0.0053 0.0084 438 ASP 30 O 0.0096 -0.0073 0.0083 439 ASP 30 CB 0.0078 -0.0070 0.0055 440 ASP 30 CG 0.0092 -0.0071 0.0076 441 ASP 30 OD1 0.0092 -0.0048 0.0087 442 ASP 30 OD2 0.0102 -0.0095 0.0082 443 ASP 30 H 0.0071 -0.0016 0.0069 444 ASP 30 HA 0.0065 -0.0048 0.0045 445 ASP 30 HB3 0.0066 -0.0066 0.0038 446 ASP 30 HB2 0.0080 -0.0091 0.0050 447 TRP 31 N 0.0113 -0.0056 0.0120 448 TRP 31 CA 0.0124 -0.0060 0.0145 449 TRP 31 C 0.0120 -0.0045 0.0145 450 TRP 31 O 0.0129 -0.0048 0.0163 451 TRP 31 CB 0.0132 -0.0048 0.0170 452 TRP 31 CG 0.0124 -0.0019 0.0169 453 TRP 31 CD1 0.0117 -0.0011 0.0158 454 TRP 31 CD2 0.0122 0.0005 0.0180 455 TRP 31 NE1 0.0111 0.0017 0.0161 456 TRP 31 CE2 0.0114 0.0028 0.0175 457 TRP 31 CE3 0.0126 0.0011 0.0194 458 TRP 31 CZ2 0.0110 0.0056 0.0184 459 TRP 31 CZ3 0.0123 0.0038 0.0203 460 TRP 31 CH2 0.0114 0.0060 0.0197 461 TRP 31 H 0.0109 -0.0042 0.0120 462 TRP 31 HA 0.0131 -0.0082 0.0146 463 TRP 31 HB3 0.0136 -0.0062 0.0172 464 TRP 31 HB2 0.0139 -0.0050 0.0187 465 TRP 31 HD1 0.0117 -0.0027 0.0148 466 TRP 31 HE1 0.0105 0.0027 0.0154 467 TRP 31 HE3 0.0133 -0.0006 0.0199 468 TRP 31 HZ2 0.0104 0.0073 0.0179 469 TRP 31 HZ3 0.0126 0.0043 0.0214 470 TRP 31 HH2 0.0112 0.0081 0.0204 471 ILE 32 N 0.0108 -0.0028 0.0126 472 ILE 32 CA 0.0103 -0.0018 0.0122 473 ILE 32 C 0.0099 -0.0037 0.0100 474 ILE 32 O 0.0091 -0.0040 0.0078 475 ILE 32 CB 0.0092 0.0012 0.0114 476 ILE 32 CG1 0.0097 0.0032 0.0139 477 ILE 32 CG2 0.0086 0.0020 0.0103 478 ILE 32 CD1 0.0087 0.0060 0.0132 479 ILE 32 H 0.0102 -0.0023 0.0115 480 ILE 32 HA 0.0111 -0.0018 0.0141 481 ILE 32 HB 0.0085 0.0014 0.0099 482 ILE 32 HG13 0.0105 0.0023 0.0151 483 ILE 32 HG12 0.0101 0.0036 0.0151 484 ILE 32 HG21 0.0078 0.0041 0.0098 485 ILE 32 HG22 0.0082 0.0005 0.0086 486 ILE 32 HG23 0.0093 0.0018 0.0119 487 ILE 32 HD11 0.0091 0.0073 0.0150 488 ILE 32 HD12 0.0083 0.0056 0.0120 489 ILE 32 HD13 0.0079 0.0070 0.0120 490 ILE 33 N 0.0098 -0.0048 0.0143 491 ILE 33 CA 0.0096 -0.0066 0.0124 492 ILE 33 C 0.0088 -0.0044 0.0107 493 ILE 33 O 0.0081 -0.0048 0.0078 494 ILE 33 CB 0.0105 -0.0088 0.0145 495 ILE 33 CG1 0.0113 -0.0111 0.0161 496 ILE 33 CG2 0.0102 -0.0106 0.0125 497 ILE 33 CD1 0.0123 -0.0128 0.0188 498 ILE 33 H 0.0104 -0.0042 0.0165 499 ILE 33 HA 0.0094 -0.0081 0.0107 500 ILE 33 HB 0.0107 -0.0073 0.0163 501 ILE 33 HG13 0.0113 -0.0099 0.0168 502 ILE 33 HG12 0.0111 -0.0129 0.0144 503 ILE 33 HG21 0.0109 -0.0121 0.0140 504 ILE 33 HG22 0.0097 -0.0089 0.0115 505 ILE 33 HG23 0.0100 -0.0120 0.0107 506 ILE 33 HD11 0.0128 -0.0144 0.0198 507 ILE 33 HD12 0.0125 -0.0110 0.0206 508 ILE 33 HD13 0.0123 -0.0141 0.0180 509 ALA 34 N 0.0089 -0.0020 0.0123 510 ALA 34 CA 0.0082 0.0003 0.0110 511 ALA 34 C 0.0082 0.0035 0.0129 512 ALA 34 O 0.0090 0.0035 0.0158 513 ALA 34 CB 0.0083 -0.0010 0.0108 514 ALA 34 H 0.0095 -0.0017 0.0146 515 ALA 34 HA 0.0075 0.0008 0.0086 516 ALA 34 HB1 0.0078 0.0008 0.0098 517 ALA 34 HB2 0.0082 -0.0032 0.0093 518 ALA 34 HB3 0.0090 -0.0015 0.0131 519 PRO 35 N 0.0040 0.0070 0.0064 520 PRO 35 CA 0.0032 0.0072 0.0034 521 PRO 35 C 0.0033 0.0068 0.0029 522 PRO 35 O 0.0037 0.0069 0.0050 523 PRO 35 CB 0.0016 0.0100 0.0029 524 PRO 35 CG 0.0015 0.0115 0.0059 525 PRO 35 CD 0.0030 0.0095 0.0080 526 PRO 35 HA 0.0036 0.0058 0.0019 527 PRO 35 HB3 0.0015 0.0101 0.0023 528 PRO 35 HB2 0.0009 0.0108 0.0014 529 PRO 35 HG3 0.0007 0.0131 0.0061 530 PRO 35 HG2 0.0013 0.0121 0.0062 531 PRO 35 HD2 0.0033 0.0098 0.0099 532 PRO 35 HD3 0.0030 0.0097 0.0085 533 LYS 36 N 0.0029 0.0064 0.0001 534 LYS 36 CA 0.0029 0.0061 -0.0005 535 LYS 36 C 0.0016 0.0088 -0.0003 536 LYS 36 O 0.0016 0.0090 0.0002 537 LYS 36 CB 0.0030 0.0047 -0.0036 538 LYS 36 CG 0.0044 0.0019 -0.0040 539 LYS 36 CD 0.0057 0.0001 -0.0022 540 LYS 36 CE 0.0071 -0.0027 -0.0026 541 LYS 36 NZ 0.0084 -0.0042 -0.0002 542 LYS 36 H 0.0026 0.0063 -0.0015 543 LYS 36 HA 0.0039 0.0049 0.0010 544 LYS 36 HB3 0.0030 0.0045 -0.0041 545 LYS 36 HB2 0.0020 0.0059 -0.0052 546 LYS 36 HG3 0.0042 0.0012 -0.0063 547 LYS 36 HG2 0.0045 0.0021 -0.0032 548 LYS 36 HD3 0.0058 0.0008 0.0001 549 LYS 36 HD2 0.0056 -0.0001 -0.0030 550 LYS 36 HE3 0.0072 -0.0037 -0.0047 551 LYS 36 HE2 0.0070 -0.0025 -0.0025 552 LYS 36 HZ1 0.0084 -0.0033 0.0017 553 LYS 36 HZ2 0.0093 -0.0061 -0.0005 554 LYS 36 HZ3 0.0085 -0.0044 -0.0003 555 ARG 37 N -0.0001 0.0117 -0.0011 556 ARG 37 CA -0.0007 0.0123 -0.0010 557 ARG 37 C -0.0014 0.0131 -0.0009 558 ARG 37 O -0.0015 0.0132 -0.0012 559 ARG 37 CB -0.0005 0.0124 -0.0018 560 ARG 37 CG -0.0007 0.0130 -0.0028 561 ARG 37 CD -0.0005 0.0131 -0.0035 562 ARG 37 NE 0.0002 0.0124 -0.0036 563 ARG 37 CZ 0.0008 0.0118 -0.0041 564 ARG 37 NH1 0.0008 0.0120 -0.0045 565 ARG 37 NH2 0.0014 0.0112 -0.0041 566 ARG 37 H -0.0002 0.0120 -0.0014 567 ARG 37 HA -0.0007 0.0120 -0.0003 568 ARG 37 HB3 0.0001 0.0118 -0.0020 569 ARG 37 HB2 -0.0008 0.0126 -0.0015 570 ARG 37 HG3 -0.0013 0.0136 -0.0026 571 ARG 37 HG2 -0.0004 0.0128 -0.0031 572 ARG 37 HD3 -0.0009 0.0135 -0.0034 573 ARG 37 HD2 -0.0005 0.0134 -0.0043 574 ARG 37 HE 0.0002 0.0122 -0.0033 575 ARG 37 HH12 0.0013 0.0116 -0.0049 576 ARG 37 HH11 0.0004 0.0125 -0.0045 577 ARG 37 HH22 0.0019 0.0108 -0.0044 578 ARG 37 HH21 0.0014 0.0110 -0.0037 579 TYR 38 N -0.0020 0.0136 -0.0005 580 TYR 38 CA -0.0027 0.0143 -0.0004 581 TYR 38 C -0.0033 0.0149 -0.0002 582 TYR 38 O -0.0031 0.0146 0.0000 583 TYR 38 CB -0.0029 0.0142 0.0005 584 TYR 38 CG -0.0032 0.0141 0.0015 585 TYR 38 CD1 -0.0028 0.0134 0.0020 586 TYR 38 CD2 -0.0039 0.0147 0.0020 587 TYR 38 CE1 -0.0030 0.0133 0.0029 588 TYR 38 CE2 -0.0042 0.0147 0.0029 589 TYR 38 CZ -0.0038 0.0139 0.0034 590 TYR 38 OH -0.0040 0.0139 0.0044 591 TYR 38 H -0.0019 0.0134 -0.0003 592 TYR 38 HA -0.0027 0.0146 -0.0011 593 TYR 38 HB3 -0.0024 0.0137 0.0004 594 TYR 38 HB2 -0.0033 0.0147 0.0003 595 TYR 38 HD1 -0.0022 0.0129 0.0016 596 TYR 38 HD2 -0.0043 0.0153 0.0016 597 TYR 38 HE1 -0.0027 0.0127 0.0033 598 TYR 38 HE2 -0.0048 0.0152 0.0033 599 TYR 38 HH -0.0045 0.0144 0.0046 600 LYS 39 N -0.0052 0.0131 -0.0011 601 LYS 39 CA -0.0060 0.0118 -0.0005 602 LYS 39 C -0.0071 0.0110 -0.0006 603 LYS 39 O -0.0080 0.0111 -0.0017 604 LYS 39 CB -0.0066 0.0118 -0.0010 605 LYS 39 CG -0.0056 0.0124 -0.0007 606 LYS 39 CD -0.0063 0.0123 -0.0013 607 LYS 39 CE -0.0060 0.0135 -0.0025 608 LYS 39 NZ -0.0067 0.0140 -0.0037 609 LYS 39 H -0.0055 0.0137 -0.0021 610 LYS 39 HA -0.0054 0.0115 0.0006 611 LYS 39 HB3 -0.0073 0.0108 -0.0006 612 LYS 39 HB2 -0.0072 0.0122 -0.0021 613 LYS 39 HG3 -0.0050 0.0134 -0.0012 614 LYS 39 HG2 -0.0051 0.0120 0.0003 615 LYS 39 HD3 -0.0059 0.0120 -0.0005 616 LYS 39 HD2 -0.0073 0.0116 -0.0016 617 LYS 39 HE3 -0.0050 0.0142 -0.0022 618 LYS 39 HE2 -0.0063 0.0135 -0.0028 619 LYS 39 HZ1 -0.0065 0.0139 -0.0034 620 LYS 39 HZ2 -0.0076 0.0134 -0.0041 621 LYS 39 HZ3 -0.0063 0.0148 -0.0044 622 ALA 40 N -0.0069 0.0103 0.0005 623 ALA 40 CA -0.0078 0.0095 0.0005 624 ALA 40 C -0.0088 0.0082 0.0009 625 ALA 40 O -0.0099 0.0076 0.0004 626 ALA 40 CB -0.0071 0.0094 0.0014 627 ALA 40 H -0.0061 0.0103 0.0013 628 ALA 40 HA -0.0083 0.0099 -0.0006 629 ALA 40 HB1 -0.0078 0.0087 0.0014 630 ALA 40 HB2 -0.0064 0.0103 0.0010 631 ALA 40 HB3 -0.0065 0.0090 0.0024 632 ASN 41 N -0.0096 0.0026 -0.0009 633 ASN 41 CA -0.0086 0.0011 -0.0010 634 ASN 41 C -0.0088 -0.0001 -0.0022 635 ASN 41 O -0.0098 0.0003 -0.0031 636 ASN 41 CB -0.0085 0.0008 -0.0010 637 ASN 41 CG -0.0084 0.0020 0.0001 638 ASN 41 OD1 -0.0076 0.0023 0.0013 639 ASN 41 ND2 -0.0092 0.0028 -0.0004 640 ASN 41 H -0.0093 0.0033 -0.0001 641 ASN 41 HA -0.0078 0.0010 -0.0000 642 ASN 41 HB3 -0.0077 -0.0002 -0.0008 643 ASN 41 HB2 -0.0092 0.0007 -0.0020 644 ASN 41 HD22 -0.0092 0.0036 0.0003 645 ASN 41 HD21 -0.0099 0.0025 -0.0014 646 TYR 42 N -0.0080 -0.0014 -0.0022 647 TYR 42 CA -0.0081 -0.0026 -0.0033 648 TYR 42 C -0.0072 -0.0041 -0.0034 649 TYR 42 O -0.0064 -0.0042 -0.0024 650 TYR 42 CB -0.0080 -0.0027 -0.0032 651 TYR 42 CG -0.0068 -0.0031 -0.0020 652 TYR 42 CD1 -0.0063 -0.0021 -0.0007 653 TYR 42 CD2 -0.0060 -0.0045 -0.0022 654 TYR 42 CE1 -0.0052 -0.0025 0.0004 655 TYR 42 CE2 -0.0049 -0.0049 -0.0012 656 TYR 42 CZ -0.0045 -0.0039 0.0001 657 TYR 42 OH -0.0034 -0.0043 0.0012 658 TYR 42 H -0.0072 -0.0017 -0.0014 659 TYR 42 HA -0.0090 -0.0024 -0.0043 660 TYR 42 HB3 -0.0086 -0.0016 -0.0031 661 TYR 42 HB2 -0.0083 -0.0034 -0.0041 662 TYR 42 HD1 -0.0069 -0.0010 -0.0005 663 TYR 42 HD2 -0.0064 -0.0053 -0.0033 664 TYR 42 HE1 -0.0049 -0.0017 0.0014 665 TYR 42 HE2 -0.0044 -0.0060 -0.0014 666 TYR 42 HH -0.0031 -0.0051 0.0009 667 CYS 43 N -0.0086 -0.0104 -0.0086 668 CYS 43 CA -0.0082 -0.0109 -0.0087 669 CYS 43 C -0.0079 -0.0112 -0.0087 670 CYS 43 O -0.0081 -0.0112 -0.0090 671 CYS 43 CB -0.0083 -0.0111 -0.0092 672 CYS 43 SG -0.0087 -0.0107 -0.0093 673 CYS 43 H -0.0089 -0.0103 -0.0089 674 CYS 43 HA -0.0079 -0.0109 -0.0083 675 CYS 43 HB3 -0.0080 -0.0115 -0.0093 676 CYS 43 HB2 -0.0086 -0.0111 -0.0096 677 SER 44 N -0.0074 -0.0116 -0.0085 678 SER 44 CA -0.0071 -0.0120 -0.0085 679 SER 44 C -0.0066 -0.0124 -0.0083 680 SER 44 O -0.0064 -0.0124 -0.0080 681 SER 44 CB -0.0070 -0.0117 -0.0080 682 SER 44 OG -0.0067 -0.0121 -0.0080 683 SER 44 H -0.0073 -0.0116 -0.0082 684 SER 44 HA -0.0072 -0.0121 -0.0089 685 SER 44 HB3 -0.0069 -0.0115 -0.0076 686 SER 44 HB2 -0.0074 -0.0114 -0.0081 687 SER 44 HG -0.0069 -0.0120 -0.0082 688 GLY 45 N -0.0046 -0.0187 -0.0185 689 GLY 45 CA -0.0016 -0.0161 -0.0191 690 GLY 45 C -0.0019 -0.0168 -0.0194 691 GLY 45 O -0.0046 -0.0191 -0.0187 692 GLY 45 H -0.0057 -0.0213 -0.0197 693 GLY 45 HA3 -0.0012 -0.0134 -0.0170 694 GLY 45 HA2 0.0008 -0.0161 -0.0214 695 GLN 46 N 0.0009 -0.0149 -0.0204 696 GLN 46 CA 0.0010 -0.0154 -0.0210 697 GLN 46 C -0.0007 -0.0135 -0.0176 698 GLN 46 O -0.0006 -0.0108 -0.0152 699 GLN 46 CB 0.0047 -0.0141 -0.0235 700 GLN 46 CG 0.0066 -0.0159 -0.0269 701 GLN 46 CD 0.0047 -0.0199 -0.0288 702 GLN 46 OE1 0.0043 -0.0213 -0.0297 703 GLN 46 NE2 0.0037 -0.0219 -0.0295 704 GLN 46 H 0.0031 -0.0129 -0.0208 705 GLN 46 HA -0.0005 -0.0183 -0.0221 706 GLN 46 HB3 0.0046 -0.0146 -0.0239 707 GLN 46 HB2 0.0061 -0.0112 -0.0223 708 GLN 46 HG3 0.0092 -0.0148 -0.0285 709 GLN 46 HG2 0.0068 -0.0152 -0.0266 710 GLN 46 HE22 0.0024 -0.0246 -0.0308 711 GLN 46 HE21 0.0041 -0.0206 -0.0288 712 CYS 47 N -0.0011 -0.0092 -0.0173 713 CYS 47 CA -0.0021 -0.0079 -0.0150 714 CYS 47 C -0.0022 -0.0067 -0.0147 715 CYS 47 O -0.0026 -0.0079 -0.0138 716 CYS 47 CB -0.0030 -0.0097 -0.0130 717 CYS 47 SG -0.0030 -0.0107 -0.0129 718 CYS 47 H -0.0010 -0.0105 -0.0176 719 CYS 47 HA -0.0020 -0.0064 -0.0150 720 CYS 47 HB3 -0.0037 -0.0088 -0.0113 721 CYS 47 HB2 -0.0030 -0.0114 -0.0131 722 GLU 48 N -0.0018 -0.0044 -0.0155 723 GLU 48 CA -0.0018 -0.0030 -0.0154 724 GLU 48 C -0.0025 -0.0008 -0.0137 725 GLU 48 O -0.0027 0.0000 -0.0131 726 GLU 48 CB -0.0007 -0.0020 -0.0178 727 GLU 48 CG 0.0000 -0.0040 -0.0195 728 GLU 48 CD 0.0011 -0.0032 -0.0220 729 GLU 48 OE1 0.0013 -0.0009 -0.0224 730 GLU 48 OE2 0.0018 -0.0048 -0.0237 731 GLU 48 H -0.0014 -0.0035 -0.0163 732 GLU 48 HA -0.0021 -0.0043 -0.0148 733 GLU 48 HB3 -0.0008 -0.0007 -0.0175 734 GLU 48 HB2 -0.0004 -0.0009 -0.0185 735 GLU 48 HG3 -0.0002 -0.0058 -0.0193 736 GLU 48 HG2 -0.0001 -0.0045 -0.0193 737 TYR 49 N -0.0046 0.0022 -0.0120 738 TYR 49 CA -0.0053 0.0039 -0.0110 739 TYR 49 C -0.0044 0.0027 -0.0097 740 TYR 49 O -0.0034 0.0015 -0.0081 741 TYR 49 CB -0.0064 0.0051 -0.0132 742 TYR 49 CG -0.0074 0.0071 -0.0126 743 TYR 49 CD1 -0.0081 0.0089 -0.0110 744 TYR 49 CD2 -0.0077 0.0073 -0.0136 745 TYR 49 CE1 -0.0090 0.0108 -0.0105 746 TYR 49 CE2 -0.0086 0.0091 -0.0131 747 TYR 49 CZ -0.0092 0.0109 -0.0115 748 TYR 49 OH -0.0101 0.0127 -0.0109 749 TYR 49 H -0.0045 0.0024 -0.0113 750 TYR 49 HA -0.0057 0.0051 -0.0097 751 TYR 49 HB3 -0.0061 0.0039 -0.0146 752 TYR 49 HB2 -0.0069 0.0056 -0.0143 753 TYR 49 HD1 -0.0079 0.0089 -0.0102 754 TYR 49 HD2 -0.0072 0.0059 -0.0149 755 TYR 49 HE1 -0.0095 0.0122 -0.0092 756 TYR 49 HE2 -0.0088 0.0092 -0.0139 757 TYR 49 HH -0.0105 0.0138 -0.0098 758 MET 50 N -0.0048 0.0031 -0.0105 759 MET 50 CA -0.0040 0.0022 -0.0094 760 MET 50 C -0.0036 0.0006 -0.0114 761 MET 50 O -0.0031 -0.0001 -0.0109 762 MET 50 CB -0.0048 0.0040 -0.0084 763 MET 50 CG -0.0054 0.0058 -0.0065 764 MET 50 SD -0.0063 0.0080 -0.0055 765 MET 50 CE -0.0052 0.0064 -0.0039 766 MET 50 H -0.0056 0.0041 -0.0119 767 MET 50 HA -0.0032 0.0012 -0.0079 768 MET 50 HB3 -0.0042 0.0033 -0.0075 769 MET 50 HB2 -0.0056 0.0049 -0.0099 770 MET 50 HG3 -0.0059 0.0065 -0.0073 771 MET 50 HG2 -0.0046 0.0050 -0.0049 772 MET 50 HE1 -0.0056 0.0075 -0.0031 773 MET 50 HE2 -0.0047 0.0051 -0.0052 774 MET 50 HE3 -0.0044 0.0057 -0.0024 775 PHE 51 N -0.0026 0.0000 -0.0118 776 PHE 51 CA -0.0031 -0.0015 -0.0126 777 PHE 51 C -0.0030 -0.0039 -0.0116 778 PHE 51 O -0.0029 -0.0048 -0.0113 779 PHE 51 CB -0.0039 -0.0015 -0.0151 780 PHE 51 CG -0.0040 0.0008 -0.0162 781 PHE 51 CD1 -0.0037 0.0022 -0.0156 782 PHE 51 CD2 -0.0045 0.0016 -0.0178 783 PHE 51 CE1 -0.0038 0.0044 -0.0166 784 PHE 51 CE2 -0.0046 0.0037 -0.0188 785 PHE 51 CZ -0.0043 0.0051 -0.0182 786 PHE 51 H -0.0029 0.0007 -0.0128 787 PHE 51 HA -0.0028 -0.0008 -0.0122 788 PHE 51 HB3 -0.0042 -0.0027 -0.0157 789 PHE 51 HB2 -0.0041 -0.0022 -0.0156 790 PHE 51 HD1 -0.0033 0.0017 -0.0143 791 PHE 51 HD2 -0.0047 0.0005 -0.0183 792 PHE 51 HE1 -0.0035 0.0055 -0.0161 793 PHE 51 HE2 -0.0049 0.0043 -0.0201 794 PHE 51 HZ -0.0044 0.0068 -0.0190 795 MET 52 N -0.0029 -0.0049 -0.0112 796 MET 52 CA -0.0030 -0.0074 -0.0106 797 MET 52 C -0.0023 -0.0080 -0.0085 798 MET 52 O -0.0024 -0.0099 -0.0083 799 MET 52 CB -0.0037 -0.0089 -0.0125 800 MET 52 CG -0.0044 -0.0082 -0.0147 801 MET 52 SD -0.0044 -0.0083 -0.0149 802 MET 52 CE -0.0047 -0.0113 -0.0149 803 MET 52 H -0.0029 -0.0040 -0.0113 804 MET 52 HA -0.0029 -0.0077 -0.0103 805 MET 52 HB3 -0.0037 -0.0106 -0.0121 806 MET 52 HB2 -0.0037 -0.0089 -0.0125 807 MET 52 HG3 -0.0048 -0.0093 -0.0159 808 MET 52 HG2 -0.0043 -0.0064 -0.0151 809 MET 52 HE1 -0.0048 -0.0117 -0.0150 810 MET 52 HE2 -0.0052 -0.0120 -0.0163 811 MET 52 HE3 -0.0043 -0.0121 -0.0134 812 GLN 53 N -0.0018 -0.0054 -0.0144 813 GLN 53 CA 0.0003 -0.0053 -0.0121 814 GLN 53 C 0.0011 -0.0062 -0.0131 815 GLN 53 O -0.0006 -0.0061 -0.0146 816 GLN 53 CB -0.0010 -0.0033 -0.0094 817 GLN 53 CG -0.0012 -0.0025 -0.0079 818 GLN 53 CD -0.0025 -0.0005 -0.0053 819 GLN 53 OE1 -0.0024 0.0001 -0.0040 820 GLN 53 NE2 -0.0037 0.0005 -0.0045 821 GLN 53 H -0.0038 -0.0046 -0.0148 822 GLN 53 HA 0.0022 -0.0060 -0.0116 823 GLN 53 HB3 0.0003 -0.0032 -0.0079 824 GLN 53 HB2 -0.0031 -0.0025 -0.0100 825 GLN 53 HG3 -0.0025 -0.0026 -0.0095 826 GLN 53 HG2 0.0009 -0.0032 -0.0073 827 GLN 53 HE22 -0.0046 0.0018 -0.0028 828 GLN 53 HE21 -0.0036 -0.0001 -0.0056 829 LYS 54 N 0.0039 -0.0072 -0.0122 830 LYS 54 CA 0.0050 -0.0082 -0.0132 831 LYS 54 C 0.0055 -0.0073 -0.0108 832 LYS 54 O 0.0047 -0.0071 -0.0112 833 LYS 54 CB 0.0078 -0.0101 -0.0142 834 LYS 54 CG 0.0097 -0.0113 -0.0146 835 LYS 54 CD 0.0124 -0.0131 -0.0155 836 LYS 54 CE 0.0141 -0.0144 -0.0165 837 LYS 54 NZ 0.0170 -0.0160 -0.0167 838 LYS 54 H 0.0052 -0.0071 -0.0109 839 LYS 54 HA 0.0035 -0.0084 -0.0150 840 LYS 54 HB3 0.0091 -0.0100 -0.0127 841 LYS 54 HB2 0.0073 -0.0109 -0.0162 842 LYS 54 HG3 0.0085 -0.0115 -0.0162 843 LYS 54 HG2 0.0102 -0.0105 -0.0125 844 LYS 54 HD3 0.0138 -0.0129 -0.0137 845 LYS 54 HD2 0.0118 -0.0136 -0.0172 846 LYS 54 HE3 0.0129 -0.0149 -0.0187 847 LYS 54 HE2 0.0141 -0.0138 -0.0151 848 LYS 54 HZ1 0.0170 -0.0164 -0.0175 849 LYS 54 HZ2 0.0183 -0.0156 -0.0147 850 LYS 54 HZ3 0.0178 -0.0171 -0.0180 851 TYR 55 N 0.0039 -0.0005 -0.0036 852 TYR 55 CA 0.0040 -0.0001 -0.0019 853 TYR 55 C 0.0033 0.0011 -0.0013 854 TYR 55 O 0.0031 0.0013 -0.0017 855 TYR 55 CB 0.0050 -0.0014 -0.0010 856 TYR 55 CG 0.0057 -0.0025 -0.0014 857 TYR 55 CD1 0.0056 -0.0023 -0.0014 858 TYR 55 CD2 0.0065 -0.0039 -0.0018 859 TYR 55 CE1 0.0062 -0.0034 -0.0017 860 TYR 55 CE2 0.0071 -0.0050 -0.0021 861 TYR 55 CZ 0.0070 -0.0047 -0.0020 862 TYR 55 OH 0.0076 -0.0058 -0.0023 863 TYR 55 H 0.0041 -0.0010 -0.0040 864 TYR 55 HA 0.0039 0.0001 -0.0017 865 TYR 55 HB3 0.0051 -0.0010 0.0002 866 TYR 55 HB2 0.0051 -0.0017 -0.0014 867 TYR 55 HD1 0.0050 -0.0013 -0.0011 868 TYR 55 HD2 0.0066 -0.0041 -0.0018 869 TYR 55 HE1 0.0061 -0.0032 -0.0016 870 TYR 55 HE2 0.0077 -0.0060 -0.0023 871 TYR 55 HH 0.0075 -0.0055 -0.0020 872 PRO 56 N 0.0030 0.0020 -0.0002 873 PRO 56 CA 0.0023 0.0033 0.0005 874 PRO 56 C 0.0027 0.0031 0.0015 875 PRO 56 O 0.0022 0.0040 0.0017 876 PRO 56 CB 0.0021 0.0040 0.0015 877 PRO 56 CG 0.0029 0.0029 0.0018 878 PRO 56 CD 0.0033 0.0019 0.0004 879 PRO 56 HA 0.0017 0.0039 -0.0005 880 PRO 56 HB3 0.0015 0.0047 0.0008 881 PRO 56 HB2 0.0020 0.0045 0.0026 882 PRO 56 HG3 0.0027 0.0033 0.0020 883 PRO 56 HG2 0.0035 0.0024 0.0028 884 PRO 56 HD2 0.0040 0.0008 0.0007 885 PRO 56 HD3 0.0029 0.0021 -0.0004 886 HIS 57 N 0.0032 0.0024 0.0017 887 HIS 57 CA 0.0033 0.0024 0.0020 888 HIS 57 C 0.0030 0.0026 0.0014 889 HIS 57 O 0.0029 0.0031 0.0015 890 HIS 57 CB 0.0037 0.0016 0.0023 891 HIS 57 CG 0.0039 0.0016 0.0026 892 HIS 57 ND1 0.0037 0.0014 0.0021 893 HIS 57 CD2 0.0042 0.0018 0.0033 894 HIS 57 CE1 0.0039 0.0015 0.0026 895 HIS 57 NE2 0.0042 0.0017 0.0033 896 HIS 57 H 0.0034 0.0018 0.0017 897 HIS 57 HA 0.0035 0.0029 0.0025 898 HIS 57 HB3 0.0036 0.0011 0.0018 899 HIS 57 HB2 0.0040 0.0015 0.0027 900 HIS 57 HD2 0.0044 0.0020 0.0038 901 HIS 57 HE1 0.0038 0.0013 0.0023 902 HIS 57 HE2 0.0044 0.0019 0.0038 903 THR 58 N 0.0027 0.0023 0.0006 904 THR 58 CA 0.0023 0.0024 -0.0000 905 THR 58 C 0.0020 0.0034 -0.0001 906 THR 58 O 0.0019 0.0037 -0.0002 907 THR 58 CB 0.0020 0.0020 -0.0008 908 THR 58 OG1 0.0023 0.0011 -0.0007 909 THR 58 CG2 0.0016 0.0021 -0.0015 910 THR 58 H 0.0027 0.0019 0.0005 911 THR 58 HA 0.0024 0.0022 0.0001 912 THR 58 HB 0.0019 0.0022 -0.0009 913 THR 58 HG1 0.0022 0.0008 -0.0009 914 THR 58 HG21 0.0014 0.0018 -0.0020 915 THR 58 HG22 0.0014 0.0028 -0.0015 916 THR 58 HG23 0.0017 0.0018 -0.0014 917 HIS 59 N 0.0009 0.0029 0.0012 918 HIS 59 CA -0.0000 0.0034 0.0015 919 HIS 59 C 0.0001 0.0039 0.0025 920 HIS 59 O -0.0004 0.0044 0.0030 921 HIS 59 CB -0.0006 0.0034 0.0009 922 HIS 59 CG -0.0016 0.0039 0.0012 923 HIS 59 ND1 -0.0019 0.0043 0.0016 924 HIS 59 CD2 -0.0023 0.0042 0.0011 925 HIS 59 CE1 -0.0029 0.0047 0.0017 926 HIS 59 NE2 -0.0031 0.0046 0.0014 927 HIS 59 H 0.0011 0.0026 0.0007 928 HIS 59 HA -0.0004 0.0036 0.0014 929 HIS 59 HB3 -0.0002 0.0032 0.0009 930 HIS 59 HB2 -0.0008 0.0031 0.0002 931 HIS 59 HD2 -0.0022 0.0040 0.0008 932 HIS 59 HE1 -0.0033 0.0050 0.0020 933 HIS 59 HE2 -0.0037 0.0049 0.0014 934 LEU 60 N 0.0008 0.0038 0.0028 935 LEU 60 CA 0.0010 0.0042 0.0038 936 LEU 60 C 0.0014 0.0044 0.0045 937 LEU 60 O 0.0011 0.0049 0.0052 938 LEU 60 CB 0.0017 0.0040 0.0038 939 LEU 60 CG 0.0013 0.0039 0.0033 940 LEU 60 CD1 0.0021 0.0035 0.0032 941 LEU 60 CD2 0.0006 0.0044 0.0038 942 LEU 60 H 0.0013 0.0034 0.0024 943 LEU 60 HA 0.0003 0.0046 0.0039 944 LEU 60 HB3 0.0020 0.0043 0.0046 945 LEU 60 HB2 0.0024 0.0036 0.0036 946 LEU 60 HG 0.0010 0.0037 0.0026 947 LEU 60 HD11 0.0018 0.0034 0.0028 948 LEU 60 HD12 0.0026 0.0031 0.0028 949 LEU 60 HD13 0.0025 0.0037 0.0039 950 LEU 60 HD21 0.0003 0.0043 0.0034 951 LEU 60 HD22 0.0009 0.0046 0.0045 952 LEU 60 HD23 -0.0000 0.0047 0.0039 953 VAL 61 N 0.0007 0.0042 0.0034 954 VAL 61 CA 0.0012 0.0040 0.0041 955 VAL 61 C 0.0004 0.0045 0.0039 956 VAL 61 O 0.0003 0.0049 0.0048 957 VAL 61 CB 0.0023 0.0031 0.0035 958 VAL 61 CG1 0.0026 0.0030 0.0040 959 VAL 61 CG2 0.0031 0.0026 0.0040 960 VAL 61 H 0.0010 0.0038 0.0027 961 VAL 61 HA 0.0014 0.0042 0.0051 962 VAL 61 HB 0.0021 0.0030 0.0025 963 VAL 61 HG11 0.0034 0.0024 0.0036 964 VAL 61 HG12 0.0020 0.0033 0.0037 965 VAL 61 HG13 0.0028 0.0032 0.0051 966 VAL 61 HG21 0.0039 0.0020 0.0036 967 VAL 61 HG22 0.0033 0.0028 0.0050 968 VAL 61 HG23 0.0029 0.0027 0.0036 969 GLN 62 N -0.0002 0.0046 0.0027 970 GLN 62 CA -0.0011 0.0051 0.0025 971 GLN 62 C -0.0019 0.0060 0.0034 972 GLN 62 O -0.0023 0.0063 0.0038 973 GLN 62 CB -0.0016 0.0051 0.0011 974 GLN 62 CG -0.0009 0.0043 0.0001 975 GLN 62 CD -0.0015 0.0043 -0.0013 976 GLN 62 OE1 -0.0017 0.0043 -0.0017 977 GLN 62 NE2 -0.0017 0.0043 -0.0021 978 GLN 62 H -0.0001 0.0044 0.0020 979 GLN 62 HA -0.0006 0.0049 0.0026 980 GLN 62 HB3 -0.0024 0.0056 0.0009 981 GLN 62 HB2 -0.0019 0.0052 0.0009 982 GLN 62 HG3 -0.0001 0.0038 0.0002 983 GLN 62 HG2 -0.0008 0.0043 0.0002 984 GLN 62 HE22 -0.0021 0.0043 -0.0030 985 GLN 62 HE21 -0.0016 0.0043 -0.0017 986 GLN 63 N -0.0016 0.0044 0.0063 987 GLN 63 CA -0.0020 0.0045 0.0066 988 GLN 63 C -0.0016 0.0050 0.0070 989 GLN 63 O -0.0019 0.0052 0.0075 990 GLN 63 CB -0.0020 0.0041 0.0061 991 GLN 63 CG -0.0026 0.0036 0.0057 992 GLN 63 CD -0.0028 0.0032 0.0054 993 GLN 63 OE1 -0.0024 0.0031 0.0050 994 GLN 63 NE2 -0.0035 0.0031 0.0056 995 GLN 63 H -0.0014 0.0042 0.0059 996 GLN 63 HA -0.0025 0.0044 0.0068 997 GLN 63 HB3 -0.0021 0.0042 0.0063 998 GLN 63 HB2 -0.0015 0.0040 0.0057 999 GLN 63 HG3 -0.0024 0.0034 0.0054 1000 GLN 63 HG2 -0.0030 0.0036 0.0061 1001 GLN 63 HE22 -0.0037 0.0029 0.0055 1002 GLN 63 HE21 -0.0038 0.0032 0.0060 1003 ALA 64 N -0.0009 0.0051 0.0068 1004 ALA 64 CA -0.0005 0.0056 0.0072 1005 ALA 64 C -0.0005 0.0060 0.0077 1006 ALA 64 O -0.0005 0.0064 0.0082 1007 ALA 64 CB 0.0003 0.0056 0.0068 1008 ALA 64 H -0.0007 0.0049 0.0064 1009 ALA 64 HA -0.0007 0.0056 0.0073 1010 ALA 64 HB1 0.0006 0.0060 0.0070 1011 ALA 64 HB2 0.0003 0.0053 0.0064 1012 ALA 64 HB3 0.0005 0.0056 0.0066 1013 ASN 65 N -0.0027 0.0059 0.0067 1014 ASN 65 CA -0.0011 0.0050 0.0071 1015 ASN 65 C -0.0007 0.0039 0.0085 1016 ASN 65 O -0.0007 0.0031 0.0096 1017 ASN 65 CB -0.0013 0.0050 0.0072 1018 ASN 65 CG 0.0003 0.0044 0.0072 1019 ASN 65 OD1 0.0003 0.0042 0.0075 1020 ASN 65 ND2 0.0017 0.0040 0.0070 1021 ASN 65 H -0.0026 0.0066 0.0057 1022 ASN 65 HA -0.0001 0.0053 0.0062 1023 ASN 65 HB3 -0.0022 0.0047 0.0082 1024 ASN 65 HB2 -0.0018 0.0059 0.0063 1025 ASN 65 HD22 0.0028 0.0036 0.0070 1026 ASN 65 HD21 0.0017 0.0041 0.0068 1027 PRO 66 N -0.0004 0.0038 0.0085 1028 PRO 66 CA -0.0001 0.0027 0.0099 1029 PRO 66 C 0.0017 0.0019 0.0101 1030 PRO 66 O 0.0027 0.0022 0.0090 1031 PRO 66 CB -0.0004 0.0030 0.0096 1032 PRO 66 CG 0.0001 0.0039 0.0080 1033 PRO 66 CD -0.0004 0.0046 0.0073 1034 PRO 66 HA -0.0010 0.0024 0.0108 1035 PRO 66 HB3 -0.0017 0.0032 0.0100 1036 PRO 66 HB2 0.0005 0.0023 0.0101 1037 PRO 66 HG3 -0.0006 0.0044 0.0076 1038 PRO 66 HG2 0.0015 0.0036 0.0076 1039 PRO 66 HD2 0.0006 0.0049 0.0064 1040 PRO 66 HD3 -0.0017 0.0052 0.0071 1041 ARG 67 N -0.0019 -0.0096 0.0123 1042 ARG 67 CA 0.0032 -0.0105 0.0148 1043 ARG 67 C 0.0072 -0.0066 0.0127 1044 ARG 67 O 0.0060 -0.0045 0.0103 1045 ARG 67 CB 0.0024 -0.0140 0.0178 1046 ARG 67 CG 0.0075 -0.0143 0.0197 1047 ARG 67 CD 0.0116 -0.0159 0.0226 1048 ARG 67 NE 0.0094 -0.0182 0.0239 1049 ARG 67 CZ 0.0123 -0.0192 0.0258 1050 ARG 67 NH1 0.0176 -0.0180 0.0265 1051 ARG 67 NH2 0.0099 -0.0213 0.0269 1052 ARG 67 H -0.0052 -0.0111 0.0125 1053 ARG 67 HA 0.0050 -0.0116 0.0164 1054 ARG 67 HB3 -0.0007 -0.0136 0.0163 1055 ARG 67 HB2 0.0008 -0.0170 0.0199 1056 ARG 67 HG3 0.0093 -0.0113 0.0176 1057 ARG 67 HG2 0.0063 -0.0164 0.0213 1058 ARG 67 HD3 0.0148 -0.0132 0.0212 1059 ARG 67 HD2 0.0136 -0.0179 0.0251 1060 ARG 67 HE 0.0053 -0.0191 0.0234 1061 ARG 67 HH12 0.0198 -0.0188 0.0280 1062 ARG 67 HH11 0.0194 -0.0164 0.0257 1063 ARG 67 HH22 0.0121 -0.0221 0.0283 1064 ARG 67 HH21 0.0058 -0.0222 0.0264 1065 GLY 68 N 0.0120 -0.0057 0.0135 1066 GLY 68 CA 0.0163 -0.0023 0.0118 1067 GLY 68 C 0.0158 0.0018 0.0079 1068 GLY 68 O 0.0189 0.0051 0.0059 1069 GLY 68 H 0.0127 -0.0075 0.0153 1070 GLY 68 HA3 0.0162 -0.0020 0.0115 1071 GLY 68 HA2 0.0201 -0.0030 0.0138 1072 SER 69 N 0.0068 0.0025 0.0062 1073 SER 69 CA 0.0063 0.0024 0.0047 1074 SER 69 C 0.0057 0.0024 0.0033 1075 SER 69 O 0.0046 0.0032 0.0033 1076 SER 69 CB 0.0053 0.0031 0.0050 1077 SER 69 OG 0.0040 0.0041 0.0052 1078 SER 69 H 0.0061 0.0031 0.0070 1079 SER 69 HA 0.0073 0.0017 0.0043 1080 SER 69 HB3 0.0057 0.0031 0.0060 1081 SER 69 HB2 0.0051 0.0030 0.0039 1082 SER 69 HG 0.0040 0.0044 0.0063 1083 ALA 70 N 0.0064 0.0016 0.0021 1084 ALA 70 CA 0.0060 0.0016 0.0007 1085 ALA 70 C 0.0050 0.0019 -0.0005 1086 ALA 70 O 0.0050 0.0020 -0.0004 1087 ALA 70 CB 0.0072 0.0006 -0.0001 1088 ALA 70 H 0.0074 0.0010 0.0021 1089 ALA 70 HA 0.0054 0.0021 0.0011 1090 ALA 70 HB1 0.0068 0.0005 -0.0012 1091 ALA 70 HB2 0.0079 0.0003 0.0007 1092 ALA 70 HB3 0.0078 0.0001 -0.0005 1093 GLY 71 N 0.0006 -0.0021 -0.0059 1094 GLY 71 CA -0.0001 -0.0019 -0.0067 1095 GLY 71 C 0.0007 -0.0038 -0.0070 1096 GLY 71 O 0.0015 -0.0052 -0.0068 1097 GLY 71 H 0.0000 -0.0020 -0.0066 1098 GLY 71 HA3 -0.0011 -0.0015 -0.0079 1099 GLY 71 HA2 0.0000 -0.0008 -0.0057 1100 PRO 72 N 0.0003 -0.0038 -0.0076 1101 PRO 72 CA 0.0010 -0.0056 -0.0079 1102 PRO 72 C 0.0007 -0.0070 -0.0094 1103 PRO 72 O -0.0003 -0.0065 -0.0106 1104 PRO 72 CB 0.0004 -0.0051 -0.0085 1105 PRO 72 CG -0.0003 -0.0030 -0.0079 1106 PRO 72 CD -0.0007 -0.0023 -0.0080 1107 PRO 72 HA 0.0020 -0.0061 -0.0067 1108 PRO 72 HB3 0.0012 -0.0057 -0.0078 1109 PRO 72 HB2 -0.0003 -0.0055 -0.0099 1110 PRO 72 HG3 0.0004 -0.0026 -0.0065 1111 PRO 72 HG2 -0.0012 -0.0025 -0.0088 1112 PRO 72 HD2 -0.0017 -0.0022 -0.0093 1113 PRO 72 HD3 -0.0007 -0.0010 -0.0070 1114 CYS 73 N -0.0017 -0.0055 -0.0081 1115 CYS 73 CA -0.0026 -0.0064 -0.0088 1116 CYS 73 C -0.0027 -0.0085 -0.0096 1117 CYS 73 O -0.0016 -0.0093 -0.0095 1118 CYS 73 CB -0.0015 -0.0064 -0.0084 1119 CYS 73 SG 0.0009 -0.0073 -0.0079 1120 CYS 73 H -0.0003 -0.0058 -0.0078 1121 CYS 73 HA -0.0040 -0.0058 -0.0091 1122 CYS 73 HB3 -0.0017 -0.0049 -0.0079 1123 CYS 73 HB2 -0.0022 -0.0070 -0.0089 1124 CYS 74 N -0.0042 -0.0092 -0.0104 1125 CYS 74 CA -0.0044 -0.0111 -0.0112 1126 CYS 74 C -0.0030 -0.0123 -0.0112 1127 CYS 74 O -0.0032 -0.0122 -0.0113 1128 CYS 74 CB -0.0064 -0.0115 -0.0121 1129 CYS 74 SG -0.0068 -0.0138 -0.0131 1130 CYS 74 H -0.0051 -0.0084 -0.0105 1131 CYS 74 HA -0.0040 -0.0115 -0.0113 1132 CYS 74 HB3 -0.0067 -0.0112 -0.0121 1133 CYS 74 HB2 -0.0073 -0.0105 -0.0121 1134 THR 75 N -0.0044 -0.0083 -0.0067 1135 THR 75 CA -0.0043 -0.0071 -0.0075 1136 THR 75 C -0.0041 -0.0077 -0.0078 1137 THR 75 O -0.0038 -0.0091 -0.0078 1138 THR 75 CB -0.0038 -0.0065 -0.0089 1139 THR 75 OG1 -0.0039 -0.0050 -0.0094 1140 THR 75 CG2 -0.0032 -0.0076 -0.0101 1141 THR 75 H -0.0041 -0.0094 -0.0070 1142 THR 75 HA -0.0047 -0.0061 -0.0068 1143 THR 75 HB -0.0039 -0.0065 -0.0087 1144 THR 75 HG1 -0.0039 -0.0044 -0.0097 1145 THR 75 HG21 -0.0028 -0.0072 -0.0111 1146 THR 75 HG22 -0.0031 -0.0088 -0.0098 1147 THR 75 HG23 -0.0031 -0.0077 -0.0103 1148 PRO 76 N -0.0042 -0.0066 -0.0080 1149 PRO 76 CA -0.0040 -0.0072 -0.0083 1150 PRO 76 C -0.0033 -0.0080 -0.0097 1151 PRO 76 O -0.0029 -0.0075 -0.0108 1152 PRO 76 CB -0.0042 -0.0057 -0.0084 1153 PRO 76 CG -0.0047 -0.0046 -0.0075 1154 PRO 76 CD -0.0045 -0.0049 -0.0077 1155 PRO 76 HA -0.0042 -0.0079 -0.0074 1156 PRO 76 HB3 -0.0043 -0.0059 -0.0079 1157 PRO 76 HB2 -0.0038 -0.0052 -0.0096 1158 PRO 76 HG3 -0.0051 -0.0048 -0.0064 1159 PRO 76 HG2 -0.0047 -0.0034 -0.0080 1160 PRO 76 HD2 -0.0043 -0.0043 -0.0087 1161 PRO 76 HD3 -0.0050 -0.0048 -0.0067 1162 THR 77 N -0.0011 -0.0086 -0.0114 1163 THR 77 CA 0.0020 -0.0109 -0.0143 1164 THR 77 C 0.0031 -0.0124 -0.0151 1165 THR 77 O 0.0057 -0.0140 -0.0176 1166 THR 77 CB 0.0023 -0.0148 -0.0136 1167 THR 77 OG1 0.0001 -0.0174 -0.0106 1168 THR 77 CG2 0.0018 -0.0133 -0.0135 1169 THR 77 H -0.0028 -0.0103 -0.0092 1170 THR 77 HA 0.0035 -0.0087 -0.0163 1171 THR 77 HB 0.0046 -0.0168 -0.0156 1172 THR 77 HG1 -0.0019 -0.0157 -0.0089 1173 THR 77 HG21 0.0021 -0.0162 -0.0131 1174 THR 77 HG22 0.0035 -0.0114 -0.0158 1175 THR 77 HG23 -0.0004 -0.0114 -0.0115 1176 LYS 78 N 0.0010 -0.0119 -0.0129 1177 LYS 78 CA 0.0017 -0.0128 -0.0135 1178 LYS 78 C -0.0005 -0.0098 -0.0118 1179 LYS 78 O -0.0033 -0.0094 -0.0089 1180 LYS 78 CB 0.0017 -0.0176 -0.0123 1181 LYS 78 CG 0.0028 -0.0189 -0.0132 1182 LYS 78 CD 0.0026 -0.0236 -0.0119 1183 LYS 78 CE 0.0034 -0.0248 -0.0125 1184 LYS 78 NZ 0.0032 -0.0294 -0.0112 1185 LYS 78 H -0.0012 -0.0108 -0.0107 1186 LYS 78 HA 0.0040 -0.0121 -0.0161 1187 LYS 78 HB3 -0.0006 -0.0183 -0.0096 1188 LYS 78 HB2 0.0030 -0.0197 -0.0133 1189 LYS 78 HG3 0.0051 -0.0184 -0.0158 1190 LYS 78 HG2 0.0014 -0.0168 -0.0122 1191 LYS 78 HD3 0.0003 -0.0242 -0.0092 1192 LYS 78 HD2 0.0041 -0.0257 -0.0130 1193 LYS 78 HE3 0.0057 -0.0243 -0.0151 1194 LYS 78 HE2 0.0019 -0.0226 -0.0114 1195 LYS 78 HZ1 0.0011 -0.0299 -0.0087 1196 LYS 78 HZ2 0.0038 -0.0301 -0.0116 1197 LYS 78 HZ3 0.0046 -0.0314 -0.0122 1198 MET 79 N -0.0023 -0.0036 -0.0058 1199 MET 79 CA -0.0034 0.0001 -0.0044 1200 MET 79 C -0.0042 0.0024 -0.0041 1201 MET 79 O -0.0044 0.0017 -0.0064 1202 MET 79 CB -0.0045 0.0020 -0.0069 1203 MET 79 CG -0.0039 0.0000 -0.0073 1204 MET 79 SD -0.0035 0.0008 -0.0032 1205 MET 79 CE -0.0053 0.0054 -0.0039 1206 MET 79 H -0.0026 -0.0039 -0.0085 1207 MET 79 HA -0.0029 0.0000 -0.0015 1208 MET 79 HB3 -0.0053 0.0048 -0.0057 1209 MET 79 HB2 -0.0051 0.0023 -0.0097 1210 MET 79 HG3 -0.0046 0.0010 -0.0099 1211 MET 79 HG2 -0.0029 -0.0029 -0.0078 1212 MET 79 HE1 -0.0052 0.0063 -0.0015 1213 MET 79 HE2 -0.0057 0.0055 -0.0066 1214 MET 79 HE3 -0.0059 0.0072 -0.0039 1215 SER 80 N -0.0047 0.0050 -0.0014 1216 SER 80 CA -0.0056 0.0076 -0.0011 1217 SER 80 C -0.0070 0.0115 -0.0010 1218 SER 80 O -0.0071 0.0124 0.0002 1219 SER 80 CB -0.0048 0.0070 0.0025 1220 SER 80 OG -0.0039 0.0041 0.0019 1221 SER 80 H -0.0045 0.0052 0.0006 1222 SER 80 HA -0.0058 0.0071 -0.0036 1223 SER 80 HB3 -0.0056 0.0095 0.0033 1224 SER 80 HB2 -0.0042 0.0065 0.0049 1225 SER 80 HG -0.0030 0.0018 0.0021 1226 PRO 81 N -0.0079 0.0157 0.0100 1227 PRO 81 CA -0.0074 0.0149 0.0100 1228 PRO 81 C -0.0064 0.0153 0.0091 1229 PRO 81 O -0.0062 0.0163 0.0086 1230 PRO 81 CB -0.0082 0.0151 0.0105 1231 PRO 81 CG -0.0088 0.0163 0.0105 1232 PRO 81 CD -0.0088 0.0167 0.0103 1233 PRO 81 HA -0.0072 0.0140 0.0102 1234 PRO 81 HB3 -0.0087 0.0144 0.0111 1235 PRO 81 HB2 -0.0079 0.0150 0.0103 1236 PRO 81 HG3 -0.0097 0.0164 0.0111 1237 PRO 81 HG2 -0.0085 0.0170 0.0100 1238 PRO 81 HD2 -0.0086 0.0175 0.0099 1239 PRO 81 HD3 -0.0095 0.0165 0.0109 1240 ILE 82 N -0.0058 0.0146 0.0090 1241 ILE 82 CA -0.0051 0.0149 0.0083 1242 ILE 82 C -0.0052 0.0145 0.0086 1243 ILE 82 O -0.0057 0.0137 0.0093 1244 ILE 82 CB -0.0039 0.0145 0.0077 1245 ILE 82 CG1 -0.0037 0.0131 0.0081 1246 ILE 82 CG2 -0.0036 0.0150 0.0073 1247 ILE 82 CD1 -0.0025 0.0125 0.0075 1248 ILE 82 H -0.0059 0.0137 0.0094 1249 ILE 82 HA -0.0052 0.0159 0.0081 1250 ILE 82 HB -0.0034 0.0147 0.0073 1251 ILE 82 HG13 -0.0040 0.0127 0.0085 1252 ILE 82 HG12 -0.0041 0.0128 0.0084 1253 ILE 82 HG21 -0.0028 0.0146 0.0069 1254 ILE 82 HG22 -0.0038 0.0160 0.0070 1255 ILE 82 HG23 -0.0041 0.0148 0.0078 1256 ILE 82 HD11 -0.0024 0.0115 0.0078 1257 ILE 82 HD12 -0.0022 0.0128 0.0071 1258 ILE 82 HD13 -0.0022 0.0128 0.0071 1259 ASN 83 N -0.0037 0.0169 0.0117 1260 ASN 83 CA -0.0013 0.0133 0.0125 1261 ASN 83 C 0.0007 0.0103 0.0108 1262 ASN 83 O 0.0004 0.0106 0.0072 1263 ASN 83 CB -0.0012 0.0131 0.0101 1264 ASN 83 CG -0.0031 0.0160 0.0118 1265 ASN 83 OD1 -0.0030 0.0161 0.0157 1266 ASN 83 ND2 -0.0048 0.0184 0.0087 1267 ASN 83 H -0.0047 0.0183 0.0089 1268 ASN 83 HA -0.0009 0.0130 0.0161 1269 ASN 83 HB3 0.0007 0.0103 0.0106 1270 ASN 83 HB2 -0.0014 0.0134 0.0064 1271 ASN 83 HD22 -0.0062 0.0204 0.0097 1272 ASN 83 HD21 -0.0048 0.0182 0.0055 1273 MET 84 N 0.0028 0.0074 0.0134 1274 MET 84 CA 0.0048 0.0044 0.0122 1275 MET 84 C 0.0074 0.0006 0.0128 1276 MET 84 O 0.0078 0.0001 0.0157 1277 MET 84 CB 0.0047 0.0047 0.0150 1278 MET 84 CG 0.0022 0.0083 0.0143 1279 MET 84 SD 0.0021 0.0085 0.0171 1280 MET 84 CE 0.0040 0.0056 0.0135 1281 MET 84 H 0.0030 0.0072 0.0163 1282 MET 84 HA 0.0045 0.0047 0.0086 1283 MET 84 HB3 0.0062 0.0023 0.0142 1284 MET 84 HB2 0.0049 0.0044 0.0186 1285 MET 84 HG3 0.0006 0.0107 0.0154 1286 MET 84 HG2 0.0018 0.0087 0.0107 1287 MET 84 HE1 0.0041 0.0054 0.0148 1288 MET 84 HE2 0.0059 0.0028 0.0133 1289 MET 84 HE3 0.0031 0.0068 0.0101 1290 LEU 85 N 0.0163 -0.0041 0.0190 1291 LEU 85 CA 0.0161 -0.0059 0.0194 1292 LEU 85 C 0.0154 -0.0059 0.0184 1293 LEU 85 O 0.0147 -0.0056 0.0170 1294 LEU 85 CB 0.0154 -0.0073 0.0192 1295 LEU 85 CG 0.0154 -0.0092 0.0201 1296 LEU 85 CD1 0.0164 -0.0093 0.0219 1297 LEU 85 CD2 0.0146 -0.0105 0.0195 1298 LEU 85 H 0.0158 -0.0038 0.0178 1299 LEU 85 HA 0.0168 -0.0061 0.0207 1300 LEU 85 HB3 0.0146 -0.0074 0.0179 1301 LEU 85 HB2 0.0157 -0.0069 0.0195 1302 LEU 85 HG 0.0151 -0.0096 0.0199 1303 LEU 85 HD11 0.0164 -0.0106 0.0225 1304 LEU 85 HD12 0.0170 -0.0084 0.0223 1305 LEU 85 HD13 0.0167 -0.0088 0.0222 1306 LEU 85 HD21 0.0146 -0.0119 0.0202 1307 LEU 85 HD22 0.0148 -0.0101 0.0197 1308 LEU 85 HD23 0.0138 -0.0105 0.0182 1309 TYR 86 N 0.0158 -0.0063 0.0192 1310 TYR 86 CA 0.0153 -0.0061 0.0184 1311 TYR 86 C 0.0155 -0.0074 0.0192 1312 TYR 86 O 0.0161 -0.0081 0.0206 1313 TYR 86 CB 0.0158 -0.0042 0.0182 1314 TYR 86 CG 0.0170 -0.0035 0.0197 1315 TYR 86 CD1 0.0177 -0.0028 0.0205 1316 TYR 86 CD2 0.0174 -0.0037 0.0205 1317 TYR 86 CE1 0.0188 -0.0022 0.0220 1318 TYR 86 CE2 0.0184 -0.0031 0.0219 1319 TYR 86 CZ 0.0191 -0.0024 0.0227 1320 TYR 86 OH 0.0202 -0.0018 0.0241 1321 TYR 86 H 0.0164 -0.0067 0.0204 1322 TYR 86 HA 0.0145 -0.0065 0.0172 1323 TYR 86 HB3 0.0157 -0.0033 0.0175 1324 TYR 86 HB2 0.0155 -0.0041 0.0175 1325 TYR 86 HD1 0.0175 -0.0026 0.0200 1326 TYR 86 HD2 0.0168 -0.0043 0.0199 1327 TYR 86 HE1 0.0193 -0.0016 0.0226 1328 TYR 86 HE2 0.0187 -0.0033 0.0225 1329 TYR 86 HH 0.0206 -0.0014 0.0245 1330 PHE 87 N 0.0172 -0.0111 0.0192 1331 PHE 87 CA 0.0142 -0.0094 0.0168 1332 PHE 87 C 0.0161 -0.0092 0.0121 1333 PHE 87 O 0.0175 -0.0093 0.0097 1334 PHE 87 CB 0.0103 -0.0076 0.0165 1335 PHE 87 CG 0.0077 -0.0074 0.0208 1336 PHE 87 CD1 0.0052 -0.0066 0.0224 1337 PHE 87 CD2 0.0078 -0.0079 0.0232 1338 PHE 87 CE1 0.0028 -0.0064 0.0264 1339 PHE 87 CE2 0.0055 -0.0077 0.0272 1340 PHE 87 CZ 0.0029 -0.0069 0.0288 1341 PHE 87 H 0.0172 -0.0111 0.0190 1342 PHE 87 HA 0.0134 -0.0094 0.0185 1343 PHE 87 HB3 0.0084 -0.0063 0.0141 1344 PHE 87 HB2 0.0111 -0.0077 0.0152 1345 PHE 87 HD1 0.0050 -0.0062 0.0206 1346 PHE 87 HD2 0.0098 -0.0085 0.0220 1347 PHE 87 HE1 0.0008 -0.0058 0.0276 1348 PHE 87 HE2 0.0056 -0.0081 0.0290 1349 PHE 87 HZ 0.0011 -0.0067 0.0318 1350 ASN 88 N 0.0160 -0.0089 0.0109 1351 ASN 88 CA 0.0173 -0.0085 0.0063 1352 ASN 88 C 0.0138 -0.0064 0.0033 1353 ASN 88 O 0.0105 -0.0053 0.0047 1354 ASN 88 CB 0.0188 -0.0092 0.0061 1355 ASN 88 CG 0.0155 -0.0080 0.0075 1356 ASN 88 OD1 0.0118 -0.0066 0.0081 1357 ASN 88 ND2 0.0168 -0.0087 0.0079 1358 ASN 88 H 0.0150 -0.0089 0.0131 1359 ASN 88 HA 0.0198 -0.0094 0.0052 1360 ASN 88 HB3 0.0214 -0.0107 0.0081 1361 ASN 88 HB2 0.0201 -0.0090 0.0027 1362 ASN 88 HD22 0.0148 -0.0080 0.0088 1363 ASN 88 HD21 0.0198 -0.0099 0.0073 1364 ASP 89 N 0.0088 -0.0238 -0.0166 1365 ASP 89 CA 0.0025 -0.0159 -0.0239 1366 ASP 89 C -0.0064 -0.0025 -0.0220 1367 ASP 89 O -0.0117 0.0054 -0.0215 1368 ASP 89 CB 0.0031 -0.0199 -0.0400 1369 ASP 89 CG 0.0024 -0.0203 -0.0473 1370 ASP 89 OD1 0.0044 -0.0218 -0.0397 1371 ASP 89 OD2 -0.0001 -0.0192 -0.0606 1372 ASP 89 H 0.0129 -0.0309 -0.0225 1373 ASP 89 HA 0.0038 -0.0169 -0.0194 1374 ASP 89 HB3 0.0090 -0.0288 -0.0414 1375 ASP 89 HB2 -0.0017 -0.0139 -0.0455 1376 LYS 90 N -0.0080 0.0001 -0.0210 1377 LYS 90 CA -0.0161 0.0125 -0.0186 1378 LYS 90 C -0.0169 0.0167 -0.0026 1379 LYS 90 O -0.0231 0.0266 0.0013 1380 LYS 90 CB -0.0179 0.0138 -0.0252 1381 LYS 90 CG -0.0183 0.0113 -0.0415 1382 LYS 90 CD -0.0161 0.0072 -0.0459 1383 LYS 90 CE -0.0187 0.0080 -0.0619 1384 LYS 90 NZ -0.0193 0.0083 -0.0649 1385 LYS 90 H -0.0035 -0.0067 -0.0219 1386 LYS 90 HA -0.0208 0.0183 -0.0240 1387 LYS 90 HB3 -0.0237 0.0229 -0.0224 1388 LYS 90 HB2 -0.0132 0.0079 -0.0201 1389 LYS 90 HG3 -0.0139 0.0042 -0.0448 1390 LYS 90 HG2 -0.0246 0.0195 -0.0467 1391 LYS 90 HD3 -0.0191 0.0128 -0.0397 1392 LYS 90 HD2 -0.0094 -0.0021 -0.0430 1393 LYS 90 HE3 -0.0142 0.0001 -0.0678 1394 LYS 90 HE2 -0.0247 0.0161 -0.0654 1395 LYS 90 HZ1 -0.0236 0.0155 -0.0594 1396 LYS 90 HZ2 -0.0211 0.0088 -0.0756 1397 LYS 90 HZ3 -0.0137 0.0007 -0.0617 1398 GLN 91 N -0.0051 0.0009 0.0032 1399 GLN 91 CA -0.0056 0.0018 0.0123 1400 GLN 91 C -0.0054 0.0022 0.0195 1401 GLN 91 O -0.0086 0.0046 0.0267 1402 GLN 91 CB -0.0128 0.0063 0.0130 1403 GLN 91 CG -0.0134 0.0062 0.0061 1404 GLN 91 CD -0.0066 0.0020 0.0069 1405 GLN 91 OE1 -0.0030 0.0004 0.0141 1406 GLN 91 NE2 -0.0047 0.0004 -0.0007 1407 GLN 91 H -0.0004 -0.0022 -0.0004 1408 GLN 91 HA -0.0005 -0.0012 0.0135 1409 GLN 91 HB3 -0.0130 0.0068 0.0198 1410 GLN 91 HB2 -0.0180 0.0093 0.0123 1411 GLN 91 HG3 -0.0188 0.0095 0.0070 1412 GLN 91 HG2 -0.0138 0.0059 -0.0007 1413 GLN 91 HE22 -0.0002 -0.0024 -0.0006 1414 GLN 91 HE21 -0.0077 0.0018 -0.0065 1415 GLN 92 N -0.0015 -0.0003 0.0176 1416 GLN 92 CA -0.0001 -0.0008 0.0243 1417 GLN 92 C 0.0070 -0.0047 0.0302 1418 GLN 92 O 0.0123 -0.0081 0.0272 1419 GLN 92 CB 0.0011 -0.0018 0.0198 1420 GLN 92 CG -0.0058 0.0020 0.0141 1421 GLN 92 CD -0.0038 0.0004 0.0082 1422 GLN 92 OE1 0.0025 -0.0036 0.0046 1423 GLN 92 NE2 -0.0092 0.0037 0.0073 1424 GLN 92 H 0.0006 -0.0020 0.0113 1425 GLN 92 HA -0.0051 0.0026 0.0286 1426 GLN 92 HB3 0.0026 -0.0023 0.0249 1427 GLN 92 HB2 0.0062 -0.0052 0.0156 1428 GLN 92 HG3 -0.0079 0.0030 0.0098 1429 GLN 92 HG2 -0.0105 0.0052 0.0185 1430 GLN 92 HE22 -0.0082 0.0028 0.0035 1431 GLN 92 HE21 -0.0143 0.0070 0.0103 1432 ILE 93 N 0.0098 -0.0135 0.0274 1433 ILE 93 CA 0.0113 -0.0140 0.0285 1434 ILE 93 C 0.0160 -0.0138 0.0296 1435 ILE 93 O 0.0175 -0.0154 0.0321 1436 ILE 93 CB 0.0092 -0.0168 0.0315 1437 ILE 93 CG1 0.0045 -0.0170 0.0304 1438 ILE 93 CG2 0.0109 -0.0173 0.0327 1439 ILE 93 CD1 0.0020 -0.0198 0.0333 1440 ILE 93 H 0.0083 -0.0150 0.0289 1441 ILE 93 HA 0.0107 -0.0126 0.0264 1442 ILE 93 HB 0.0097 -0.0183 0.0336 1443 ILE 93 HG13 0.0034 -0.0162 0.0290 1444 ILE 93 HG12 0.0038 -0.0158 0.0286 1445 ILE 93 HG21 0.0093 -0.0193 0.0348 1446 ILE 93 HG22 0.0142 -0.0173 0.0335 1447 ILE 93 HG23 0.0104 -0.0159 0.0306 1448 ILE 93 HD11 -0.0013 -0.0198 0.0324 1449 ILE 93 HD12 0.0026 -0.0210 0.0350 1450 ILE 93 HD13 0.0030 -0.0206 0.0347 1451 ILE 94 N 0.0184 -0.0118 0.0277 1452 ILE 94 CA 0.0229 -0.0113 0.0284 1453 ILE 94 C 0.0247 -0.0116 0.0293 1454 ILE 94 O 0.0236 -0.0105 0.0275 1455 ILE 94 CB 0.0248 -0.0085 0.0254 1456 ILE 94 CG1 0.0231 -0.0082 0.0245 1457 ILE 94 CG2 0.0295 -0.0080 0.0261 1458 ILE 94 CD1 0.0241 -0.0101 0.0272 1459 ILE 94 H 0.0170 -0.0106 0.0258 1460 ILE 94 HA 0.0237 -0.0128 0.0306 1461 ILE 94 HB 0.0239 -0.0071 0.0232 1462 ILE 94 HG13 0.0242 -0.0062 0.0222 1463 ILE 94 HG12 0.0197 -0.0085 0.0238 1464 ILE 94 HG21 0.0308 -0.0061 0.0239 1465 ILE 94 HG22 0.0307 -0.0082 0.0266 1466 ILE 94 HG23 0.0305 -0.0095 0.0283 1467 ILE 94 HD11 0.0228 -0.0098 0.0264 1468 ILE 94 HD12 0.0275 -0.0098 0.0278 1469 ILE 94 HD13 0.0229 -0.0122 0.0295 1470 TYR 95 N 0.0178 -0.0114 0.0227 1471 TYR 95 CA 0.0148 -0.0083 0.0208 1472 TYR 95 C 0.0132 -0.0054 0.0245 1473 TYR 95 O 0.0142 -0.0059 0.0277 1474 TYR 95 CB 0.0145 -0.0087 0.0180 1475 TYR 95 CG 0.0114 -0.0054 0.0166 1476 TYR 95 CD1 0.0096 -0.0043 0.0129 1477 TYR 95 CD2 0.0103 -0.0035 0.0189 1478 TYR 95 CE1 0.0069 -0.0013 0.0116 1479 TYR 95 CE2 0.0076 -0.0005 0.0176 1480 TYR 95 CZ 0.0058 0.0006 0.0140 1481 TYR 95 OH 0.0031 0.0036 0.0126 1482 TYR 95 H 0.0191 -0.0128 0.0237 1483 TYR 95 HA 0.0139 -0.0077 0.0189 1484 TYR 95 HB3 0.0158 -0.0099 0.0196 1485 TYR 95 HB2 0.0154 -0.0106 0.0151 1486 TYR 95 HD1 0.0104 -0.0057 0.0110 1487 TYR 95 HD2 0.0117 -0.0044 0.0218 1488 TYR 95 HE1 0.0055 -0.0004 0.0087 1489 TYR 95 HE2 0.0068 0.0009 0.0195 1490 TYR 95 HH 0.0027 0.0046 0.0146 1491 GLY 96 N 0.0106 -0.0025 0.0241 1492 GLY 96 CA 0.0090 0.0004 0.0274 1493 GLY 96 C 0.0058 0.0038 0.0261 1494 GLY 96 O 0.0048 0.0042 0.0233 1495 GLY 96 H 0.0098 -0.0022 0.0214 1496 GLY 96 HA3 0.0099 0.0000 0.0302 1497 GLY 96 HA2 0.0093 0.0003 0.0288 1498 LYS 97 N -0.0066 0.0079 0.0215 1499 LYS 97 CA -0.0069 0.0110 0.0205 1500 LYS 97 C -0.0071 0.0102 0.0214 1501 LYS 97 O -0.0080 0.0096 0.0243 1502 LYS 97 CB -0.0082 0.0141 0.0222 1503 LYS 97 CG -0.0085 0.0176 0.0209 1504 LYS 97 CD -0.0098 0.0205 0.0224 1505 LYS 97 CE -0.0093 0.0224 0.0201 1506 LYS 97 NZ -0.0083 0.0201 0.0190 1507 LYS 97 H -0.0074 0.0077 0.0237 1508 LYS 97 HA -0.0060 0.0115 0.0178 1509 LYS 97 HB3 -0.0092 0.0137 0.0248 1510 LYS 97 HB2 -0.0082 0.0142 0.0219 1511 LYS 97 HG3 -0.0075 0.0179 0.0182 1512 LYS 97 HG2 -0.0087 0.0176 0.0214 1513 LYS 97 HD3 -0.0105 0.0224 0.0232 1514 LYS 97 HD2 -0.0104 0.0195 0.0246 1515 LYS 97 HE3 -0.0087 0.0235 0.0179 1516 LYS 97 HE2 -0.0102 0.0246 0.0212 1517 LYS 97 HZ1 -0.0073 0.0187 0.0172 1518 LYS 97 HZ2 -0.0087 0.0185 0.0209 1519 LYS 97 HZ3 -0.0083 0.0215 0.0181 1520 ILE 98 N -0.0061 0.0102 0.0189 1521 ILE 98 CA -0.0061 0.0093 0.0195 1522 ILE 98 C -0.0067 0.0124 0.0193 1523 ILE 98 O -0.0061 0.0140 0.0166 1524 ILE 98 CB -0.0045 0.0068 0.0169 1525 ILE 98 CG1 -0.0038 0.0038 0.0167 1526 ILE 98 CG2 -0.0046 0.0056 0.0177 1527 ILE 98 CD1 -0.0045 0.0015 0.0198 1528 ILE 98 H -0.0053 0.0109 0.0166 1529 ILE 98 HA -0.0067 0.0079 0.0219 1530 ILE 98 HB -0.0039 0.0083 0.0145 1531 ILE 98 HG13 -0.0027 0.0023 0.0147 1532 ILE 98 HG12 -0.0037 0.0048 0.0160 1533 ILE 98 HG21 -0.0035 0.0039 0.0159 1534 ILE 98 HG22 -0.0051 0.0078 0.0177 1535 ILE 98 HG23 -0.0052 0.0042 0.0202 1536 ILE 98 HD11 -0.0039 -0.0006 0.0195 1537 ILE 98 HD12 -0.0045 0.0003 0.0205 1538 ILE 98 HD13 -0.0056 0.0029 0.0218 1539 PRO 99 N -0.0093 0.0065 0.0104 1540 PRO 99 CA -0.0073 0.0085 0.0098 1541 PRO 99 C -0.0061 0.0082 0.0067 1542 PRO 99 O -0.0071 0.0062 0.0051 1543 PRO 99 CB -0.0081 0.0085 0.0114 1544 PRO 99 CG -0.0102 0.0070 0.0135 1545 PRO 99 CD -0.0111 0.0052 0.0121 1546 PRO 99 HA -0.0063 0.0101 0.0107 1547 PRO 99 HB3 -0.0071 0.0103 0.0126 1548 PRO 99 HB2 -0.0082 0.0076 0.0100 1549 PRO 99 HG3 -0.0102 0.0082 0.0154 1550 PRO 99 HG2 -0.0112 0.0061 0.0138 1551 PRO 99 HD2 -0.0118 0.0037 0.0107 1552 PRO 99 HD3 -0.0122 0.0048 0.0137 1553 GLY 100 N -0.0041 0.0102 0.0060 1554 GLY 100 CA -0.0028 0.0102 0.0032 1555 GLY 100 C -0.0026 0.0091 0.0008 1556 GLY 100 O -0.0026 0.0079 -0.0015 1557 GLY 100 H -0.0034 0.0118 0.0074 1558 GLY 100 HA3 -0.0034 0.0093 0.0028 1559 GLY 100 HA2 -0.0013 0.0120 0.0032 1560 MET 101 N -0.0050 0.0104 0.0031 1561 MET 101 CA -0.0046 0.0106 0.0036 1562 MET 101 C -0.0053 0.0102 0.0038 1563 MET 101 O -0.0052 0.0103 0.0046 1564 MET 101 CB -0.0040 0.0110 0.0029 1565 MET 101 CG -0.0032 0.0115 0.0029 1566 MET 101 SD -0.0026 0.0119 0.0041 1567 MET 101 CE -0.0022 0.0121 0.0041 1568 MET 101 H -0.0052 0.0103 0.0024 1569 MET 101 HA -0.0044 0.0108 0.0043 1570 MET 101 HB3 -0.0038 0.0111 0.0032 1571 MET 101 HB2 -0.0042 0.0109 0.0022 1572 MET 101 HG3 -0.0028 0.0118 0.0024 1573 MET 101 HG2 -0.0034 0.0114 0.0027 1574 MET 101 HE1 -0.0019 0.0123 0.0047 1575 MET 101 HE2 -0.0019 0.0124 0.0034 1576 MET 101 HE3 -0.0028 0.0118 0.0040 1577 VAL 102 N -0.0059 0.0098 0.0032 1578 VAL 102 CA -0.0065 0.0094 0.0033 1579 VAL 102 C -0.0074 0.0089 0.0035 1580 VAL 102 O -0.0076 0.0087 0.0030 1581 VAL 102 CB -0.0066 0.0094 0.0024 1582 VAL 102 CG1 -0.0073 0.0089 0.0025 1583 VAL 102 CG2 -0.0058 0.0099 0.0022 1584 VAL 102 H -0.0060 0.0098 0.0026 1585 VAL 102 HA -0.0064 0.0095 0.0039 1586 VAL 102 HB -0.0067 0.0093 0.0018 1587 VAL 102 HG11 -0.0073 0.0089 0.0018 1588 VAL 102 HG12 -0.0079 0.0086 0.0026 1589 VAL 102 HG13 -0.0072 0.0090 0.0031 1590 VAL 102 HG21 -0.0059 0.0099 0.0016 1591 VAL 102 HG22 -0.0056 0.0100 0.0028 1592 VAL 102 HG23 -0.0053 0.0102 0.0021 1593 VAL 103 N -0.0097 0.0011 -0.0010 1594 VAL 103 CA -0.0084 -0.0013 -0.0018 1595 VAL 103 C -0.0078 -0.0037 -0.0002 1596 VAL 103 O -0.0083 -0.0040 0.0024 1597 VAL 103 CB -0.0085 -0.0015 -0.0011 1598 VAL 103 CG1 -0.0072 -0.0043 -0.0014 1599 VAL 103 CG2 -0.0088 0.0004 -0.0030 1600 VAL 103 H -0.0105 0.0020 0.0006 1601 VAL 103 HA -0.0078 -0.0014 -0.0040 1602 VAL 103 HB -0.0092 -0.0011 0.0011 1603 VAL 103 HG11 -0.0072 -0.0044 -0.0009 1604 VAL 103 HG12 -0.0069 -0.0058 0.0001 1605 VAL 103 HG13 -0.0064 -0.0048 -0.0035 1606 VAL 103 HG21 -0.0089 0.0003 -0.0025 1607 VAL 103 HG22 -0.0081 0.0000 -0.0052 1608 VAL 103 HG23 -0.0098 0.0024 -0.0027 1609 ASP 104 N -0.0066 -0.0053 -0.0018 1610 ASP 104 CA -0.0059 -0.0077 -0.0005 1611 ASP 104 C -0.0050 -0.0101 -0.0002 1612 ASP 104 O -0.0047 -0.0118 0.0017 1613 ASP 104 CB -0.0052 -0.0082 -0.0023 1614 ASP 104 CG -0.0061 -0.0060 -0.0027 1615 ASP 104 OD1 -0.0073 -0.0045 -0.0008 1616 ASP 104 OD2 -0.0057 -0.0056 -0.0050 1617 ASP 104 H -0.0062 -0.0050 -0.0039 1618 ASP 104 HA -0.0067 -0.0073 0.0015 1619 ASP 104 HB3 -0.0047 -0.0100 -0.0014 1620 ASP 104 HB2 -0.0045 -0.0087 -0.0044 1621 ARG 105 N -0.0065 -0.0139 -0.0064 1622 ARG 105 CA -0.0054 -0.0164 -0.0065 1623 ARG 105 C -0.0054 -0.0137 -0.0079 1624 ARG 105 O -0.0048 -0.0106 -0.0104 1625 ARG 105 CB -0.0024 -0.0196 -0.0089 1626 ARG 105 CG -0.0011 -0.0228 -0.0089 1627 ARG 105 CD 0.0018 -0.0258 -0.0113 1628 ARG 105 NE 0.0019 -0.0274 -0.0106 1629 ARG 105 CZ 0.0042 -0.0285 -0.0131 1630 ARG 105 NH1 0.0065 -0.0281 -0.0165 1631 ARG 105 NH2 0.0041 -0.0299 -0.0122 1632 ARG 105 H -0.0063 -0.0110 -0.0081 1633 ARG 105 HA -0.0067 -0.0181 -0.0038 1634 ARG 105 HB3 -0.0010 -0.0179 -0.0116 1635 ARG 105 HB2 -0.0024 -0.0211 -0.0080 1636 ARG 105 HG3 -0.0024 -0.0246 -0.0061 1637 ARG 105 HG2 -0.0010 -0.0213 -0.0098 1638 ARG 105 HD3 0.0026 -0.0284 -0.0109 1639 ARG 105 HD2 0.0033 -0.0242 -0.0141 1640 ARG 105 HE 0.0002 -0.0277 -0.0081 1641 ARG 105 HH12 0.0082 -0.0289 -0.0183 1642 ARG 105 HH11 0.0066 -0.0270 -0.0172 1643 ARG 105 HH22 0.0058 -0.0307 -0.0141 1644 ARG 105 HH21 0.0023 -0.0302 -0.0097 1645 CYS 106 N -0.0060 -0.0150 -0.0064 1646 CYS 106 CA -0.0062 -0.0127 -0.0074 1647 CYS 106 C -0.0040 -0.0154 -0.0089 1648 CYS 106 O -0.0033 -0.0192 -0.0078 1649 CYS 106 CB -0.0091 -0.0113 -0.0042 1650 CYS 106 SG -0.0118 -0.0075 -0.0024 1651 CYS 106 H -0.0065 -0.0176 -0.0044 1652 CYS 106 HA -0.0057 -0.0099 -0.0095 1653 CYS 106 HB3 -0.0091 -0.0099 -0.0050 1654 CYS 106 HB2 -0.0096 -0.0140 -0.0020 1655 GLY 107 N -0.0030 -0.0134 -0.0107 1656 GLY 107 CA -0.0024 -0.0123 -0.0106 1657 GLY 107 C -0.0023 -0.0109 -0.0106 1658 GLY 107 O -0.0025 -0.0107 -0.0108 1659 GLY 107 H -0.0030 -0.0132 -0.0107 1660 GLY 107 HA3 -0.0014 -0.0127 -0.0101 1661 GLY 107 HA2 -0.0030 -0.0123 -0.0108 1662 CYS 108 N -0.0019 -0.0098 -0.0106 1663 CYS 108 CA -0.0018 -0.0083 -0.0106 1664 CYS 108 C -0.0004 -0.0079 -0.0100 1665 CYS 108 O 0.0005 -0.0078 -0.0096 1666 CYS 108 CB -0.0023 -0.0073 -0.0110 1667 CYS 108 SG -0.0041 -0.0075 -0.0117 1668 CYS 108 H -0.0017 -0.0100 -0.0104 1669 CYS 108 HA -0.0024 -0.0082 -0.0109 1670 CYS 108 HB3 -0.0021 -0.0061 -0.0110 1671 CYS 108 HB2 -0.0018 -0.0074 -0.0107 1672 SER 109 N -0.0001 -0.0045 -0.0077 1673 SER 109 CA 0.0010 -0.0042 -0.0066 1674 SER 109 C 0.0011 -0.0031 -0.0055 1675 SER 109 O 0.0009 -0.0029 -0.0055 1676 SER 109 CB 0.0023 -0.0054 -0.0066 1677 SER 109 OG 0.0023 -0.0065 -0.0076 1678 SER 109 OXT 0.0013 -0.0022 -0.0046 1679 SER 109 H -0.0002 -0.0047 -0.0079 1680 SER 109 HA 0.0009 -0.0040 -0.0065 1681 SER 109 HB3 0.0032 -0.0052 -0.0058 1682 SER 109 HB2 0.0025 -0.0056 -0.0066 1683 SER 109 HG 0.0015 -0.0067 -0.0083 1684 ASN 1 N -0.0123 -0.0066 0.0285 1685 ASN 1 CA -0.0147 -0.0148 0.0296 1686 ASN 1 C -0.0138 -0.0180 0.0218 1687 ASN 1 O -0.0149 -0.0249 0.0182 1688 ASN 1 CB -0.0163 -0.0143 0.0374 1689 ASN 1 CG -0.0190 -0.0227 0.0393 1690 ASN 1 OD1 -0.0214 -0.0273 0.0447 1691 ASN 1 ND2 -0.0189 -0.0249 0.0362 1692 ASN 1 H1 -0.0129 -0.0046 0.0338 1693 ASN 1 H2 -0.0113 -0.0070 0.0235 1694 ASN 1 HA -0.0162 -0.0192 0.0308 1695 ASN 1 HB3 -0.0149 -0.0097 0.0365 1696 ASN 1 HB2 -0.0169 -0.0118 0.0429 1697 ASN 1 HD22 -0.0207 -0.0305 0.0375 1698 ASN 1 HD21 -0.0170 -0.0211 0.0322 1699 LEU 2 N -0.0118 -0.0129 0.0189 1700 LEU 2 CA -0.0105 -0.0146 0.0110 1701 LEU 2 C -0.0080 -0.0113 0.0037 1702 LEU 2 O -0.0067 -0.0124 -0.0037 1703 LEU 2 CB -0.0095 -0.0107 0.0113 1704 LEU 2 CG -0.0120 -0.0157 0.0161 1705 LEU 2 CD1 -0.0112 -0.0101 0.0192 1706 LEU 2 CD2 -0.0126 -0.0230 0.0104 1707 LEU 2 H -0.0112 -0.0075 0.0223 1708 LEU 2 HA -0.0121 -0.0214 0.0099 1709 LEU 2 HB3 -0.0079 -0.0101 0.0048 1710 LEU 2 HB2 -0.0085 -0.0044 0.0141 1711 LEU 2 HG -0.0138 -0.0182 0.0216 1712 LEU 2 HD11 -0.0129 -0.0138 0.0226 1713 LEU 2 HD12 -0.0107 -0.0050 0.0234 1714 LEU 2 HD13 -0.0093 -0.0075 0.0138 1715 LEU 2 HD21 -0.0144 -0.0266 0.0139 1716 LEU 2 HD22 -0.0108 -0.0207 0.0048 1717 LEU 2 HD23 -0.0133 -0.0271 0.0085 1718 GLY 3 N -0.0060 -0.0014 0.0043 1719 GLY 3 CA -0.0062 -0.0005 0.0036 1720 GLY 3 C -0.0060 0.0000 0.0038 1721 GLY 3 O -0.0056 -0.0001 0.0046 1722 GLY 3 H -0.0056 -0.0013 0.0050 1723 GLY 3 HA3 -0.0061 0.0001 0.0037 1724 GLY 3 HA2 -0.0067 -0.0007 0.0029 1725 LEU 4 N -0.0063 0.0007 0.0031 1726 LEU 4 CA -0.0062 0.0012 0.0032 1727 LEU 4 C -0.0059 0.0024 0.0033 1728 LEU 4 O -0.0061 0.0029 0.0028 1729 LEU 4 CB -0.0067 0.0010 0.0023 1730 LEU 4 CG -0.0067 0.0013 0.0023 1731 LEU 4 CD1 -0.0063 0.0007 0.0032 1732 LEU 4 CD2 -0.0073 0.0011 0.0014 1733 LEU 4 H -0.0067 0.0008 0.0025 1734 LEU 4 HA -0.0059 0.0009 0.0038 1735 LEU 4 HB3 -0.0070 0.0014 0.0017 1736 LEU 4 HB2 -0.0070 0.0002 0.0022 1737 LEU 4 HG -0.0065 0.0022 0.0024 1738 LEU 4 HD11 -0.0063 0.0010 0.0032 1739 LEU 4 HD12 -0.0059 0.0009 0.0038 1740 LEU 4 HD13 -0.0065 -0.0001 0.0031 1741 LEU 4 HD21 -0.0072 0.0014 0.0014 1742 LEU 4 HD22 -0.0075 0.0003 0.0013 1743 LEU 4 HD23 -0.0075 0.0016 0.0008 1744 ASP 5 N -0.0039 0.0027 0.0040 1745 ASP 5 CA -0.0039 0.0032 0.0041 1746 ASP 5 C -0.0039 0.0032 0.0039 1747 ASP 5 O -0.0039 0.0028 0.0040 1748 ASP 5 CB -0.0039 0.0033 0.0046 1749 ASP 5 CG -0.0039 0.0035 0.0047 1750 ASP 5 OD1 -0.0039 0.0036 0.0044 1751 ASP 5 OD2 -0.0038 0.0035 0.0051 1752 ASP 5 H -0.0040 0.0024 0.0042 1753 ASP 5 HA -0.0039 0.0034 0.0039 1754 ASP 5 HB3 -0.0038 0.0036 0.0047 1755 ASP 5 HB2 -0.0039 0.0030 0.0048 1756 CYS 6 N -0.0039 0.0036 0.0037 1757 CYS 6 CA -0.0039 0.0036 0.0036 1758 CYS 6 C -0.0038 0.0041 0.0037 1759 CYS 6 O -0.0038 0.0044 0.0038 1760 CYS 6 CB -0.0039 0.0035 0.0030 1761 CYS 6 SG -0.0039 0.0030 0.0028 1762 CYS 6 H -0.0039 0.0038 0.0036 1763 CYS 6 HA -0.0039 0.0033 0.0037 1764 CYS 6 HB3 -0.0039 0.0036 0.0029 1765 CYS 6 HB2 -0.0039 0.0038 0.0028 1766 ASP 7 N -0.0050 0.0034 0.0055 1767 ASP 7 CA -0.0064 0.0029 0.0062 1768 ASP 7 C -0.0052 0.0014 0.0068 1769 ASP 7 O -0.0033 0.0009 0.0066 1770 ASP 7 CB -0.0084 0.0022 0.0071 1771 ASP 7 CG -0.0079 0.0006 0.0080 1772 ASP 7 OD1 -0.0061 0.0000 0.0079 1773 ASP 7 OD2 -0.0095 -0.0001 0.0089 1774 ASP 7 H -0.0043 0.0024 0.0059 1775 ASP 7 HA -0.0069 0.0041 0.0055 1776 ASP 7 HB3 -0.0093 0.0034 0.0066 1777 ASP 7 HB2 -0.0094 0.0019 0.0076 1778 GLU 8 N -0.0063 0.0006 0.0076 1779 GLU 8 CA -0.0054 -0.0009 0.0082 1780 GLU 8 C -0.0044 -0.0026 0.0090 1781 GLU 8 O -0.0028 -0.0036 0.0092 1782 GLU 8 CB -0.0070 -0.0014 0.0090 1783 GLU 8 CG -0.0091 -0.0017 0.0097 1784 GLU 8 CD -0.0107 -0.0022 0.0105 1785 GLU 8 OE1 -0.0101 -0.0025 0.0105 1786 GLU 8 OE2 -0.0126 -0.0023 0.0111 1787 GLU 8 H -0.0079 0.0010 0.0077 1788 GLU 8 HA -0.0041 -0.0003 0.0076 1789 GLU 8 HB3 -0.0073 -0.0004 0.0084 1790 GLU 8 HB2 -0.0064 -0.0027 0.0096 1791 GLU 8 HG3 -0.0089 -0.0027 0.0103 1792 GLU 8 HG2 -0.0098 -0.0004 0.0091 1793 HIS 9 N -0.0092 -0.0027 0.0094 1794 HIS 9 CA -0.0085 -0.0046 0.0102 1795 HIS 9 C -0.0066 -0.0040 0.0094 1796 HIS 9 O -0.0067 -0.0049 0.0098 1797 HIS 9 CB -0.0108 -0.0053 0.0111 1798 HIS 9 CG -0.0129 -0.0057 0.0118 1799 HIS 9 ND1 -0.0152 -0.0045 0.0118 1800 HIS 9 CD2 -0.0130 -0.0071 0.0125 1801 HIS 9 CE1 -0.0167 -0.0052 0.0125 1802 HIS 9 NE2 -0.0154 -0.0067 0.0129 1803 HIS 9 H -0.0107 -0.0016 0.0093 1804 HIS 9 HA -0.0077 -0.0060 0.0107 1805 HIS 9 HB3 -0.0103 -0.0068 0.0117 1806 HIS 9 HB2 -0.0114 -0.0040 0.0106 1807 HIS 9 HD1 -0.0155 -0.0034 0.0114 1808 HIS 9 HD2 -0.0114 -0.0081 0.0126 1809 HIS 9 HE1 -0.0186 -0.0045 0.0127 1810 SER 10 N -0.0050 -0.0027 0.0084 1811 SER 10 CA -0.0031 -0.0021 0.0076 1812 SER 10 C -0.0006 -0.0029 0.0074 1813 SER 10 O -0.0003 -0.0028 0.0073 1814 SER 10 CB -0.0032 0.0005 0.0064 1815 SER 10 OG -0.0055 0.0014 0.0066 1816 SER 10 H -0.0051 -0.0020 0.0081 1817 SER 10 HA -0.0032 -0.0030 0.0081 1818 SER 10 HB3 -0.0017 0.0008 0.0059 1819 SER 10 HB2 -0.0029 0.0014 0.0059 1820 SER 10 HG -0.0057 0.0006 0.0070 1821 SER 11 N -0.0060 -0.0009 0.0067 1822 SER 11 CA -0.0051 -0.0012 0.0063 1823 SER 11 C -0.0043 -0.0009 0.0050 1824 SER 11 O -0.0032 -0.0013 0.0046 1825 SER 11 CB -0.0044 -0.0022 0.0072 1826 SER 11 OG -0.0038 -0.0027 0.0075 1827 SER 11 H -0.0057 -0.0012 0.0069 1828 SER 11 HA -0.0057 -0.0008 0.0062 1829 SER 11 HB3 -0.0050 -0.0023 0.0081 1830 SER 11 HB2 -0.0036 -0.0024 0.0068 1831 SER 11 HG -0.0033 -0.0026 0.0067 1832 GLU 12 N -0.0048 -0.0002 0.0043 1833 GLU 12 CA -0.0041 0.0002 0.0031 1834 GLU 12 C -0.0039 0.0007 0.0020 1835 GLU 12 O -0.0048 0.0014 0.0017 1836 GLU 12 CB -0.0048 0.0008 0.0027 1837 GLU 12 CG -0.0042 0.0012 0.0015 1838 GLU 12 CD -0.0029 0.0005 0.0014 1839 GLU 12 OE1 -0.0028 -0.0000 0.0020 1840 GLU 12 OE2 -0.0020 0.0003 0.0007 1841 GLU 12 H -0.0057 0.0002 0.0046 1842 GLU 12 HA -0.0032 -0.0004 0.0031 1843 GLU 12 HB3 -0.0058 0.0013 0.0028 1844 GLU 12 HB2 -0.0049 0.0004 0.0035 1845 GLU 12 HG3 -0.0042 0.0016 0.0007 1846 GLU 12 HG2 -0.0048 0.0017 0.0013 1847 SER 13 N -0.0041 0.0009 -0.0016 1848 SER 13 CA -0.0037 0.0008 -0.0009 1849 SER 13 C -0.0037 0.0011 -0.0004 1850 SER 13 O -0.0033 0.0009 0.0001 1851 SER 13 CB -0.0038 0.0011 -0.0006 1852 SER 13 OG -0.0042 0.0017 -0.0005 1853 SER 13 H -0.0044 0.0013 -0.0017 1854 SER 13 HA -0.0034 0.0003 -0.0009 1855 SER 13 HB3 -0.0038 0.0009 -0.0010 1856 SER 13 HB2 -0.0035 0.0009 -0.0002 1857 SER 13 HG -0.0041 0.0019 -0.0001 1858 ARG 14 N -0.0041 0.0016 -0.0006 1859 ARG 14 CA -0.0041 0.0019 -0.0001 1860 ARG 14 C -0.0039 0.0015 -0.0001 1861 ARG 14 O -0.0038 0.0011 -0.0006 1862 ARG 14 CB -0.0046 0.0025 -0.0003 1863 ARG 14 CG -0.0049 0.0030 -0.0003 1864 ARG 14 CD -0.0052 0.0036 0.0001 1865 ARG 14 NE -0.0056 0.0041 -0.0000 1866 ARG 14 CZ -0.0055 0.0041 0.0003 1867 ARG 14 NH1 -0.0050 0.0038 0.0007 1868 ARG 14 NH2 -0.0058 0.0045 0.0002 1869 ARG 14 H -0.0044 0.0017 -0.0010 1870 ARG 14 HA -0.0039 0.0020 0.0004 1871 ARG 14 HB3 -0.0046 0.0028 0.0001 1872 ARG 14 HB2 -0.0048 0.0025 -0.0008 1873 ARG 14 HG3 -0.0052 0.0030 -0.0008 1874 ARG 14 HG2 -0.0047 0.0028 -0.0001 1875 ARG 14 HD3 -0.0050 0.0036 0.0006 1876 ARG 14 HD2 -0.0054 0.0038 -0.0001 1877 ARG 14 HE -0.0059 0.0043 -0.0004 1878 ARG 14 HH12 -0.0049 0.0038 0.0010 1879 ARG 14 HH11 -0.0048 0.0035 0.0008 1880 ARG 14 HH22 -0.0057 0.0046 0.0004 1881 ARG 14 HH21 -0.0061 0.0048 -0.0002 1882 CYS 15 N -0.0029 0.0014 -0.0007 1883 CYS 15 CA -0.0027 0.0020 -0.0003 1884 CYS 15 C -0.0028 0.0021 0.0005 1885 CYS 15 O -0.0030 0.0016 0.0009 1886 CYS 15 CB -0.0027 0.0020 -0.0003 1887 CYS 15 SG -0.0025 0.0027 0.0002 1888 CYS 15 H -0.0030 0.0011 -0.0010 1889 CYS 15 HA -0.0025 0.0025 -0.0006 1890 CYS 15 HB3 -0.0030 0.0015 -0.0001 1891 CYS 15 HB2 -0.0027 0.0020 -0.0009 1892 CYS 16 N -0.0025 0.0027 0.0007 1893 CYS 16 CA -0.0026 0.0028 0.0014 1894 CYS 16 C -0.0023 0.0035 0.0018 1895 CYS 16 O -0.0021 0.0040 0.0014 1896 CYS 16 CB -0.0027 0.0025 0.0013 1897 CYS 16 SG -0.0028 0.0023 0.0021 1898 CYS 16 H -0.0023 0.0031 0.0004 1899 CYS 16 HA -0.0028 0.0024 0.0019 1900 CYS 16 HB3 -0.0025 0.0029 0.0009 1901 CYS 16 HB2 -0.0028 0.0020 0.0009 1902 ARG 17 N -0.0011 0.0038 0.0033 1903 ARG 17 CA -0.0011 0.0042 0.0034 1904 ARG 17 C -0.0010 0.0045 0.0037 1905 ARG 17 O -0.0009 0.0044 0.0040 1906 ARG 17 CB -0.0009 0.0041 0.0037 1907 ARG 17 CG -0.0010 0.0044 0.0038 1908 ARG 17 CD -0.0009 0.0043 0.0041 1909 ARG 17 NE -0.0007 0.0041 0.0044 1910 ARG 17 CZ -0.0006 0.0042 0.0048 1911 ARG 17 NH1 -0.0006 0.0044 0.0048 1912 ARG 17 NH2 -0.0005 0.0040 0.0051 1913 ARG 17 H -0.0010 0.0036 0.0034 1914 ARG 17 HA -0.0012 0.0044 0.0032 1915 ARG 17 HB3 -0.0008 0.0039 0.0040 1916 ARG 17 HB2 -0.0010 0.0038 0.0035 1917 ARG 17 HG3 -0.0011 0.0046 0.0036 1918 ARG 17 HG2 -0.0009 0.0047 0.0040 1919 ARG 17 HD3 -0.0009 0.0041 0.0039 1920 ARG 17 HD2 -0.0009 0.0046 0.0041 1921 ARG 17 HE -0.0007 0.0040 0.0044 1922 ARG 17 HH12 -0.0005 0.0044 0.0050 1923 ARG 17 HH11 -0.0007 0.0045 0.0045 1924 ARG 17 HH22 -0.0004 0.0040 0.0054 1925 ARG 17 HH21 -0.0004 0.0039 0.0051 1926 TYR 18 N -0.0011 0.0049 0.0036 1927 TYR 18 CA -0.0011 0.0052 0.0038 1928 TYR 18 C -0.0011 0.0055 0.0040 1929 TYR 18 O -0.0011 0.0056 0.0039 1930 TYR 18 CB -0.0012 0.0054 0.0035 1931 TYR 18 CG -0.0013 0.0051 0.0033 1932 TYR 18 CD1 -0.0013 0.0049 0.0030 1933 TYR 18 CD2 -0.0012 0.0052 0.0034 1934 TYR 18 CE1 -0.0013 0.0046 0.0028 1935 TYR 18 CE2 -0.0012 0.0049 0.0033 1936 TYR 18 CZ -0.0013 0.0047 0.0030 1937 TYR 18 OH -0.0013 0.0044 0.0028 1938 TYR 18 H -0.0012 0.0050 0.0033 1939 TYR 18 HA -0.0010 0.0050 0.0040 1940 TYR 18 HB3 -0.0012 0.0057 0.0036 1941 TYR 18 HB2 -0.0013 0.0055 0.0032 1942 TYR 18 HD1 -0.0014 0.0049 0.0029 1943 TYR 18 HD2 -0.0012 0.0054 0.0037 1944 TYR 18 HE1 -0.0014 0.0044 0.0026 1945 TYR 18 HE2 -0.0012 0.0050 0.0034 1946 TYR 18 HH -0.0014 0.0043 0.0026 1947 PRO 19 N -0.0013 0.0054 0.0045 1948 PRO 19 CA -0.0010 0.0053 0.0045 1949 PRO 19 C -0.0004 0.0052 0.0046 1950 PRO 19 O -0.0002 0.0050 0.0044 1951 PRO 19 CB -0.0011 0.0052 0.0040 1952 PRO 19 CG -0.0013 0.0051 0.0036 1953 PRO 19 CD -0.0016 0.0053 0.0039 1954 PRO 19 HA -0.0011 0.0055 0.0048 1955 PRO 19 HB3 -0.0014 0.0053 0.0040 1956 PRO 19 HB2 -0.0007 0.0050 0.0038 1957 PRO 19 HG3 -0.0016 0.0051 0.0033 1958 PRO 19 HG2 -0.0009 0.0050 0.0034 1959 PRO 19 HD2 -0.0015 0.0052 0.0038 1960 PRO 19 HD3 -0.0020 0.0054 0.0039 1961 LEU 20 N -0.0000 0.0052 0.0049 1962 LEU 20 CA 0.0006 0.0050 0.0049 1963 LEU 20 C 0.0008 0.0050 0.0050 1964 LEU 20 O 0.0008 0.0051 0.0055 1965 LEU 20 CB 0.0007 0.0051 0.0053 1966 LEU 20 CG 0.0014 0.0049 0.0054 1967 LEU 20 CD1 0.0016 0.0047 0.0049 1968 LEU 20 CD2 0.0015 0.0050 0.0059 1969 LEU 20 H -0.0002 0.0053 0.0050 1970 LEU 20 HA 0.0007 0.0048 0.0045 1971 LEU 20 HB3 0.0006 0.0053 0.0057 1972 LEU 20 HB2 0.0006 0.0051 0.0052 1973 LEU 20 HG 0.0015 0.0049 0.0055 1974 LEU 20 HD11 0.0020 0.0046 0.0050 1975 LEU 20 HD12 0.0015 0.0046 0.0046 1976 LEU 20 HD13 0.0014 0.0047 0.0048 1977 LEU 20 HD21 0.0019 0.0049 0.0060 1978 LEU 20 HD22 0.0013 0.0051 0.0058 1979 LEU 20 HD23 0.0014 0.0052 0.0062 1980 THR 21 N 0.0029 0.0055 0.0035 1981 THR 21 CA 0.0027 0.0049 0.0029 1982 THR 21 C 0.0024 0.0043 0.0033 1983 THR 21 O 0.0022 0.0041 0.0039 1984 THR 21 CB 0.0027 0.0047 0.0026 1985 THR 21 OG1 0.0030 0.0053 0.0022 1986 THR 21 CG2 0.0025 0.0041 0.0020 1987 THR 21 H 0.0029 0.0056 0.0038 1988 THR 21 HA 0.0028 0.0050 0.0025 1989 THR 21 HB 0.0026 0.0046 0.0030 1990 THR 21 HG1 0.0031 0.0057 0.0025 1991 THR 21 HG21 0.0024 0.0040 0.0018 1992 THR 21 HG22 0.0022 0.0036 0.0023 1993 THR 21 HG23 0.0026 0.0042 0.0016 1994 VAL 22 N 0.0023 0.0039 0.0030 1995 VAL 22 CA 0.0020 0.0033 0.0032 1996 VAL 22 C 0.0018 0.0026 0.0028 1997 VAL 22 O 0.0018 0.0026 0.0021 1998 VAL 22 CB 0.0020 0.0033 0.0032 1999 VAL 22 CG1 0.0016 0.0025 0.0033 2000 VAL 22 CG2 0.0021 0.0038 0.0038 2001 VAL 22 H 0.0024 0.0041 0.0025 2002 VAL 22 HA 0.0019 0.0032 0.0038 2003 VAL 22 HB 0.0021 0.0034 0.0027 2004 VAL 22 HG11 0.0016 0.0025 0.0033 2005 VAL 22 HG12 0.0015 0.0022 0.0029 2006 VAL 22 HG13 0.0015 0.0023 0.0039 2007 VAL 22 HG21 0.0021 0.0038 0.0038 2008 VAL 22 HG22 0.0020 0.0036 0.0044 2009 VAL 22 HG23 0.0023 0.0043 0.0037 2010 ASP 23 N 0.0022 0.0010 0.0016 2011 ASP 23 CA 0.0019 0.0000 0.0010 2012 ASP 23 C 0.0017 -0.0007 0.0014 2013 ASP 23 O 0.0017 -0.0011 0.0022 2014 ASP 23 CB 0.0017 -0.0005 0.0012 2015 ASP 23 CG 0.0013 -0.0014 0.0006 2016 ASP 23 OD1 0.0012 -0.0014 -0.0002 2017 ASP 23 OD2 0.0012 -0.0022 0.0008 2018 ASP 23 H 0.0024 0.0010 0.0023 2019 ASP 23 HA 0.0018 0.0002 0.0002 2020 ASP 23 HB3 0.0018 -0.0007 0.0020 2021 ASP 23 HB2 0.0019 0.0001 0.0010 2022 PHE 24 N 0.0015 -0.0008 0.0006 2023 PHE 24 CA 0.0014 -0.0015 0.0009 2024 PHE 24 C 0.0011 -0.0026 0.0011 2025 PHE 24 O 0.0010 -0.0031 0.0018 2026 PHE 24 CB 0.0013 -0.0013 0.0000 2027 PHE 24 CG 0.0016 -0.0003 -0.0001 2028 PHE 24 CD1 0.0019 0.0002 0.0007 2029 PHE 24 CD2 0.0016 0.0003 -0.0011 2030 PHE 24 CE1 0.0021 0.0011 0.0006 2031 PHE 24 CE2 0.0019 0.0012 -0.0012 2032 PHE 24 CZ 0.0021 0.0017 -0.0003 2033 PHE 24 H 0.0015 -0.0005 -0.0001 2034 PHE 24 HA 0.0016 -0.0012 0.0016 2035 PHE 24 HB3 0.0011 -0.0019 0.0002 2036 PHE 24 HB2 0.0011 -0.0015 -0.0007 2037 PHE 24 HD1 0.0019 -0.0003 0.0015 2038 PHE 24 HD2 0.0014 -0.0000 -0.0017 2039 PHE 24 HE1 0.0024 0.0015 0.0013 2040 PHE 24 HE2 0.0019 0.0017 -0.0019 2041 PHE 24 HZ 0.0024 0.0024 -0.0004 2042 GLU 25 N 0.0008 -0.0037 -0.0000 2043 GLU 25 CA 0.0005 -0.0050 0.0002 2044 GLU 25 C 0.0007 -0.0052 0.0015 2045 GLU 25 O 0.0005 -0.0061 0.0022 2046 GLU 25 CB 0.0002 -0.0054 -0.0008 2047 GLU 25 CG 0.0001 -0.0047 -0.0021 2048 GLU 25 CD -0.0002 -0.0052 -0.0031 2049 GLU 25 OE1 -0.0005 -0.0063 -0.0034 2050 GLU 25 OE2 -0.0000 -0.0044 -0.0035 2051 GLU 25 H 0.0009 -0.0032 -0.0007 2052 GLU 25 HA 0.0003 -0.0056 0.0002 2053 GLU 25 HB3 -0.0001 -0.0064 -0.0009 2054 GLU 25 HB2 0.0003 -0.0053 -0.0005 2055 GLU 25 HG3 0.0004 -0.0037 -0.0020 2056 GLU 25 HG2 0.0000 -0.0049 -0.0025 2057 ALA 26 N 0.0010 -0.0043 0.0018 2058 ALA 26 CA 0.0012 -0.0044 0.0031 2059 ALA 26 C 0.0014 -0.0042 0.0042 2060 ALA 26 O 0.0016 -0.0044 0.0053 2061 ALA 26 CB 0.0015 -0.0034 0.0031 2062 ALA 26 H 0.0011 -0.0035 0.0013 2063 ALA 26 HA 0.0009 -0.0053 0.0032 2064 ALA 26 HB1 0.0016 -0.0034 0.0040 2065 ALA 26 HB2 0.0013 -0.0035 0.0024 2066 ALA 26 HB3 0.0017 -0.0025 0.0030 2067 PHE 27 N 0.0017 -0.0022 0.0027 2068 PHE 27 CA 0.0018 -0.0023 0.0040 2069 PHE 27 C 0.0019 -0.0037 0.0041 2070 PHE 27 O 0.0020 -0.0042 0.0052 2071 PHE 27 CB 0.0018 -0.0012 0.0041 2072 PHE 27 CG 0.0017 0.0002 0.0042 2073 PHE 27 CD1 0.0017 0.0005 0.0041 2074 PHE 27 CD2 0.0017 0.0013 0.0043 2075 PHE 27 CE1 0.0017 0.0018 0.0041 2076 PHE 27 CE2 0.0017 0.0027 0.0043 2077 PHE 27 CZ 0.0017 0.0029 0.0042 2078 PHE 27 H 0.0016 -0.0020 0.0019 2079 PHE 27 HA 0.0019 -0.0022 0.0048 2080 PHE 27 HB3 0.0019 -0.0014 0.0050 2081 PHE 27 HB2 0.0017 -0.0013 0.0033 2082 PHE 27 HD1 0.0017 -0.0003 0.0040 2083 PHE 27 HD2 0.0017 0.0011 0.0043 2084 PHE 27 HE1 0.0017 0.0020 0.0040 2085 PHE 27 HE2 0.0016 0.0035 0.0044 2086 PHE 27 HZ 0.0016 0.0039 0.0042 2087 GLY 28 N 0.0018 -0.0044 0.0030 2088 GLY 28 CA 0.0018 -0.0058 0.0029 2089 GLY 28 C 0.0018 -0.0059 0.0026 2090 GLY 28 O 0.0018 -0.0070 0.0026 2091 GLY 28 H 0.0017 -0.0040 0.0021 2092 GLY 28 HA3 0.0019 -0.0063 0.0039 2093 GLY 28 HA2 0.0018 -0.0064 0.0022 2094 TRP 29 N 0.0019 -0.0041 0.0007 2095 TRP 29 CA 0.0019 -0.0040 0.0005 2096 TRP 29 C 0.0018 -0.0045 -0.0009 2097 TRP 29 O 0.0017 -0.0037 -0.0018 2098 TRP 29 CB 0.0019 -0.0026 0.0006 2099 TRP 29 CG 0.0019 -0.0019 0.0019 2100 TRP 29 CD1 0.0020 -0.0025 0.0029 2101 TRP 29 CD2 0.0019 -0.0006 0.0022 2102 TRP 29 NE1 0.0021 -0.0016 0.0039 2103 TRP 29 CE2 0.0020 -0.0004 0.0035 2104 TRP 29 CE3 0.0019 0.0005 0.0015 2105 TRP 29 CZ2 0.0021 0.0008 0.0041 2106 TRP 29 CZ3 0.0019 0.0017 0.0022 2107 TRP 29 CH2 0.0020 0.0018 0.0035 2108 TRP 29 H 0.0019 -0.0032 0.0006 2109 TRP 29 HA 0.0019 -0.0046 0.0012 2110 TRP 29 HB3 0.0018 -0.0025 0.0004 2111 TRP 29 HB2 0.0018 -0.0020 -0.0002 2112 TRP 29 HD1 0.0020 -0.0035 0.0029 2113 TRP 29 HE1 0.0021 -0.0018 0.0048 2114 TRP 29 HE3 0.0018 0.0003 0.0005 2115 TRP 29 HZ2 0.0021 0.0009 0.0051 2116 TRP 29 HZ3 0.0019 0.0025 0.0017 2117 TRP 29 HH2 0.0020 0.0028 0.0039 2118 ASP 30 N 0.0018 -0.0058 -0.0010 2119 ASP 30 CA 0.0017 -0.0064 -0.0023 2120 ASP 30 C 0.0017 -0.0061 -0.0027 2121 ASP 30 O 0.0016 -0.0063 -0.0038 2122 ASP 30 CB 0.0017 -0.0079 -0.0023 2123 ASP 30 CG 0.0018 -0.0086 -0.0013 2124 ASP 30 OD1 0.0018 -0.0096 -0.0017 2125 ASP 30 OD2 0.0019 -0.0082 -0.0002 2126 ASP 30 H 0.0018 -0.0064 -0.0002 2127 ASP 30 HA 0.0017 -0.0059 -0.0030 2128 ASP 30 HB3 0.0017 -0.0081 -0.0020 2129 ASP 30 HB2 0.0017 -0.0083 -0.0033 2130 TRP 31 N 0.0018 -0.0039 -0.0029 2131 TRP 31 CA 0.0017 -0.0033 -0.0031 2132 TRP 31 C 0.0013 -0.0025 -0.0035 2133 TRP 31 O 0.0011 -0.0020 -0.0038 2134 TRP 31 CB 0.0022 -0.0029 -0.0024 2135 TRP 31 CG 0.0026 -0.0026 -0.0019 2136 TRP 31 CD1 0.0030 -0.0031 -0.0014 2137 TRP 31 CD2 0.0027 -0.0017 -0.0018 2138 TRP 31 NE1 0.0033 -0.0026 -0.0010 2139 TRP 31 CE2 0.0031 -0.0018 -0.0012 2140 TRP 31 CE3 0.0024 -0.0009 -0.0021 2141 TRP 31 CZ2 0.0033 -0.0010 -0.0010 2142 TRP 31 CZ3 0.0026 -0.0002 -0.0018 2143 TRP 31 CH2 0.0030 -0.0002 -0.0013 2144 TRP 31 H 0.0022 -0.0040 -0.0025 2145 TRP 31 HA 0.0015 -0.0036 -0.0034 2146 TRP 31 HB3 0.0024 -0.0034 -0.0022 2147 TRP 31 HB2 0.0021 -0.0024 -0.0025 2148 TRP 31 HD1 0.0031 -0.0038 -0.0014 2149 TRP 31 HE1 0.0036 -0.0029 -0.0006 2150 TRP 31 HE3 0.0021 -0.0009 -0.0025 2151 TRP 31 HZ2 0.0036 -0.0011 -0.0005 2152 TRP 31 HZ3 0.0024 0.0005 -0.0021 2153 TRP 31 HH2 0.0031 0.0004 -0.0011 2154 ILE 32 N 0.0013 -0.0025 -0.0036 2155 ILE 32 CA 0.0009 -0.0019 -0.0041 2156 ILE 32 C 0.0003 -0.0024 -0.0048 2157 ILE 32 O 0.0003 -0.0031 -0.0048 2158 ILE 32 CB 0.0011 -0.0015 -0.0038 2159 ILE 32 CG1 0.0015 -0.0008 -0.0033 2160 ILE 32 CG2 0.0006 -0.0011 -0.0044 2161 ILE 32 CD1 0.0019 -0.0007 -0.0028 2162 ILE 32 H 0.0015 -0.0029 -0.0033 2163 ILE 32 HA 0.0008 -0.0013 -0.0042 2164 ILE 32 HB 0.0012 -0.0021 -0.0036 2165 ILE 32 HG13 0.0018 -0.0010 -0.0029 2166 ILE 32 HG12 0.0013 -0.0002 -0.0035 2167 ILE 32 HG21 0.0007 -0.0008 -0.0042 2168 ILE 32 HG22 0.0003 -0.0016 -0.0049 2169 ILE 32 HG23 0.0004 -0.0005 -0.0047 2170 ILE 32 HD11 0.0022 -0.0002 -0.0024 2171 ILE 32 HD12 0.0021 -0.0013 -0.0025 2172 ILE 32 HD13 0.0016 -0.0004 -0.0031 2173 ILE 33 N 0.0004 -0.0024 -0.0064 2174 ILE 33 CA -0.0003 -0.0028 -0.0071 2175 ILE 33 C -0.0010 -0.0027 -0.0077 2176 ILE 33 O -0.0013 -0.0034 -0.0082 2177 ILE 33 CB -0.0006 -0.0024 -0.0072 2178 ILE 33 CG1 0.0001 -0.0025 -0.0067 2179 ILE 33 CG2 -0.0014 -0.0028 -0.0080 2180 ILE 33 CD1 -0.0002 -0.0018 -0.0066 2181 ILE 33 H 0.0004 -0.0016 -0.0061 2182 ILE 33 HA 0.0000 -0.0036 -0.0073 2183 ILE 33 HB -0.0009 -0.0016 -0.0071 2184 ILE 33 HG13 0.0006 -0.0024 -0.0062 2185 ILE 33 HG12 0.0002 -0.0033 -0.0070 2186 ILE 33 HG21 -0.0016 -0.0025 -0.0081 2187 ILE 33 HG22 -0.0019 -0.0027 -0.0084 2188 ILE 33 HG23 -0.0011 -0.0036 -0.0082 2189 ILE 33 HD11 0.0004 -0.0020 -0.0063 2190 ILE 33 HD12 -0.0003 -0.0011 -0.0064 2191 ILE 33 HD13 -0.0007 -0.0020 -0.0071 2192 ALA 34 N -0.0013 -0.0018 -0.0075 2193 ALA 34 CA -0.0020 -0.0016 -0.0079 2194 ALA 34 C -0.0019 -0.0006 -0.0075 2195 ALA 34 O -0.0016 0.0000 -0.0070 2196 ALA 34 CB -0.0028 -0.0014 -0.0086 2197 ALA 34 H -0.0010 -0.0012 -0.0070 2198 ALA 34 HA -0.0019 -0.0022 -0.0081 2199 ALA 34 HB1 -0.0033 -0.0012 -0.0089 2200 ALA 34 HB2 -0.0029 -0.0021 -0.0089 2201 ALA 34 HB3 -0.0029 -0.0007 -0.0084 2202 PRO 35 N -0.0006 -0.0003 -0.0059 2203 PRO 35 CA -0.0006 -0.0005 -0.0061 2204 PRO 35 C -0.0005 -0.0013 -0.0052 2205 PRO 35 O -0.0003 -0.0014 -0.0043 2206 PRO 35 CB -0.0005 0.0007 -0.0062 2207 PRO 35 CG -0.0003 0.0014 -0.0054 2208 PRO 35 CD -0.0004 0.0009 -0.0055 2209 PRO 35 HA -0.0009 -0.0009 -0.0070 2210 PRO 35 HB3 -0.0007 0.0011 -0.0071 2211 PRO 35 HB2 -0.0005 0.0007 -0.0059 2212 PRO 35 HG3 -0.0003 0.0024 -0.0056 2213 PRO 35 HG2 -0.0001 0.0013 -0.0045 2214 PRO 35 HD2 -0.0002 0.0009 -0.0046 2215 PRO 35 HD3 -0.0004 0.0015 -0.0061 2216 LYS 36 N -0.0006 -0.0017 -0.0055 2217 LYS 36 CA -0.0005 -0.0024 -0.0047 2218 LYS 36 C -0.0003 -0.0016 -0.0039 2219 LYS 36 O -0.0001 -0.0020 -0.0029 2220 LYS 36 CB -0.0007 -0.0033 -0.0053 2221 LYS 36 CG -0.0010 -0.0041 -0.0061 2222 LYS 36 CD -0.0009 -0.0050 -0.0054 2223 LYS 36 CE -0.0012 -0.0059 -0.0062 2224 LYS 36 NZ -0.0011 -0.0065 -0.0056 2225 LYS 36 H -0.0008 -0.0016 -0.0063 2226 LYS 36 HA -0.0005 -0.0030 -0.0041 2227 LYS 36 HB3 -0.0006 -0.0038 -0.0046 2228 LYS 36 HB2 -0.0008 -0.0028 -0.0058 2229 LYS 36 HG3 -0.0011 -0.0046 -0.0066 2230 LYS 36 HG2 -0.0011 -0.0036 -0.0067 2231 LYS 36 HD3 -0.0008 -0.0046 -0.0049 2232 LYS 36 HD2 -0.0008 -0.0055 -0.0048 2233 LYS 36 HE3 -0.0013 -0.0065 -0.0065 2234 LYS 36 HE2 -0.0013 -0.0054 -0.0069 2235 LYS 36 HZ1 -0.0010 -0.0059 -0.0053 2236 LYS 36 HZ2 -0.0013 -0.0071 -0.0061 2237 LYS 36 HZ3 -0.0010 -0.0070 -0.0049 2238 ARG 37 N 0.0017 -0.0003 -0.0015 2239 ARG 37 CA 0.0017 0.0005 -0.0011 2240 ARG 37 C 0.0017 0.0014 -0.0013 2241 ARG 37 O 0.0016 0.0015 -0.0021 2242 ARG 37 CB 0.0017 0.0006 -0.0014 2243 ARG 37 CG 0.0017 -0.0002 -0.0010 2244 ARG 37 CD 0.0017 0.0000 -0.0012 2245 ARG 37 NE 0.0016 0.0002 -0.0022 2246 ARG 37 CZ 0.0016 -0.0006 -0.0027 2247 ARG 37 NH1 0.0016 -0.0014 -0.0024 2248 ARG 37 NH2 0.0016 -0.0004 -0.0036 2249 ARG 37 H 0.0016 -0.0002 -0.0022 2250 ARG 37 HA 0.0018 0.0004 -0.0003 2251 ARG 37 HB3 0.0017 0.0012 -0.0011 2252 ARG 37 HB2 0.0016 0.0006 -0.0021 2253 ARG 37 HG3 0.0017 -0.0009 -0.0014 2254 ARG 37 HG2 0.0018 -0.0003 -0.0003 2255 ARG 37 HD3 0.0017 -0.0005 -0.0008 2256 ARG 37 HD2 0.0017 0.0007 -0.0008 2257 ARG 37 HE 0.0016 0.0008 -0.0024 2258 ARG 37 HH12 0.0016 -0.0020 -0.0028 2259 ARG 37 HH11 0.0017 -0.0016 -0.0017 2260 ARG 37 HH22 0.0015 -0.0009 -0.0041 2261 ARG 37 HH21 0.0015 0.0003 -0.0039 2262 TYR 38 N 0.0017 0.0021 -0.0007 2263 TYR 38 CA 0.0017 0.0031 -0.0009 2264 TYR 38 C 0.0018 0.0038 -0.0003 2265 TYR 38 O 0.0018 0.0036 0.0005 2266 TYR 38 CB 0.0017 0.0031 -0.0008 2267 TYR 38 CG 0.0018 0.0033 0.0002 2268 TYR 38 CD1 0.0018 0.0026 0.0008 2269 TYR 38 CD2 0.0018 0.0042 0.0005 2270 TYR 38 CE1 0.0019 0.0027 0.0018 2271 TYR 38 CE2 0.0018 0.0043 0.0014 2272 TYR 38 CZ 0.0019 0.0036 0.0020 2273 TYR 38 OH 0.0019 0.0037 0.0029 2274 TYR 38 H 0.0018 0.0020 -0.0001 2275 TYR 38 HA 0.0017 0.0033 -0.0017 2276 TYR 38 HB3 0.0017 0.0025 -0.0011 2277 TYR 38 HB2 0.0017 0.0037 -0.0013 2278 TYR 38 HD1 0.0018 0.0019 0.0006 2279 TYR 38 HD2 0.0018 0.0048 -0.0000 2280 TYR 38 HE1 0.0019 0.0021 0.0023 2281 TYR 38 HE2 0.0019 0.0050 0.0016 2282 TYR 38 HH 0.0019 0.0044 0.0030 2283 LYS 39 N 0.0030 0.0037 0.0019 2284 LYS 39 CA 0.0030 0.0042 0.0022 2285 LYS 39 C 0.0028 0.0042 0.0025 2286 LYS 39 O 0.0030 0.0042 0.0022 2287 LYS 39 CB 0.0033 0.0048 0.0019 2288 LYS 39 CG 0.0035 0.0049 0.0017 2289 LYS 39 CD 0.0038 0.0054 0.0014 2290 LYS 39 CE 0.0041 0.0052 0.0009 2291 LYS 39 NZ 0.0041 0.0049 0.0006 2292 LYS 39 H 0.0032 0.0037 0.0015 2293 LYS 39 HA 0.0028 0.0043 0.0026 2294 LYS 39 HB3 0.0033 0.0051 0.0022 2295 LYS 39 HB2 0.0035 0.0047 0.0016 2296 LYS 39 HG3 0.0035 0.0045 0.0015 2297 LYS 39 HG2 0.0033 0.0050 0.0021 2298 LYS 39 HD3 0.0038 0.0057 0.0016 2299 LYS 39 HD2 0.0039 0.0056 0.0015 2300 LYS 39 HE3 0.0040 0.0050 0.0008 2301 LYS 39 HE2 0.0043 0.0056 0.0007 2302 LYS 39 HZ1 0.0039 0.0046 0.0008 2303 LYS 39 HZ2 0.0042 0.0051 0.0006 2304 LYS 39 HZ3 0.0043 0.0047 0.0002 2305 ALA 40 N 0.0025 0.0041 0.0030 2306 ALA 40 CA 0.0023 0.0041 0.0033 2307 ALA 40 C 0.0024 0.0047 0.0036 2308 ALA 40 O 0.0024 0.0047 0.0036 2309 ALA 40 CB 0.0020 0.0037 0.0037 2310 ALA 40 H 0.0024 0.0041 0.0032 2311 ALA 40 HA 0.0024 0.0039 0.0030 2312 ALA 40 HB1 0.0018 0.0036 0.0039 2313 ALA 40 HB2 0.0020 0.0033 0.0035 2314 ALA 40 HB3 0.0019 0.0039 0.0040 2315 ASN 41 N 0.0009 0.0048 0.0037 2316 ASN 41 CA 0.0012 0.0048 0.0038 2317 ASN 41 C 0.0013 0.0048 0.0038 2318 ASN 41 O 0.0012 0.0049 0.0037 2319 ASN 41 CB 0.0013 0.0049 0.0037 2320 ASN 41 CG 0.0012 0.0049 0.0036 2321 ASN 41 OD1 0.0011 0.0048 0.0038 2322 ASN 41 ND2 0.0011 0.0050 0.0034 2323 ASN 41 H 0.0008 0.0047 0.0038 2324 ASN 41 HA 0.0012 0.0047 0.0039 2325 ASN 41 HB3 0.0015 0.0049 0.0038 2326 ASN 41 HB2 0.0013 0.0050 0.0035 2327 ASN 41 HD22 0.0010 0.0050 0.0034 2328 ASN 41 HD21 0.0011 0.0051 0.0033 2329 TYR 42 N 0.0015 0.0048 0.0039 2330 TYR 42 CA 0.0017 0.0049 0.0039 2331 TYR 42 C 0.0019 0.0049 0.0039 2332 TYR 42 O 0.0020 0.0048 0.0040 2333 TYR 42 CB 0.0016 0.0047 0.0040 2334 TYR 42 CG 0.0016 0.0046 0.0043 2335 TYR 42 CD1 0.0015 0.0045 0.0044 2336 TYR 42 CD2 0.0018 0.0046 0.0044 2337 TYR 42 CE1 0.0015 0.0044 0.0046 2338 TYR 42 CE2 0.0019 0.0045 0.0046 2339 TYR 42 CZ 0.0017 0.0044 0.0047 2340 TYR 42 OH 0.0018 0.0043 0.0049 2341 TYR 42 H 0.0016 0.0048 0.0040 2342 TYR 42 HA 0.0017 0.0049 0.0037 2343 TYR 42 HB3 0.0014 0.0047 0.0040 2344 TYR 42 HB2 0.0017 0.0048 0.0040 2345 TYR 42 HD1 0.0014 0.0045 0.0043 2346 TYR 42 HD2 0.0019 0.0047 0.0043 2347 TYR 42 HE1 0.0014 0.0043 0.0046 2348 TYR 42 HE2 0.0020 0.0044 0.0047 2349 TYR 42 HH 0.0019 0.0042 0.0050 2350 CYS 43 N 0.0014 0.0045 0.0024 2351 CYS 43 CA 0.0018 0.0047 0.0025 2352 CYS 43 C 0.0020 0.0045 0.0029 2353 CYS 43 O 0.0020 0.0043 0.0030 2354 CYS 43 CB 0.0020 0.0050 0.0023 2355 CYS 43 SG 0.0018 0.0053 0.0018 2356 CYS 43 H 0.0013 0.0046 0.0023 2357 CYS 43 HA 0.0018 0.0047 0.0024 2358 CYS 43 HB3 0.0023 0.0052 0.0024 2359 CYS 43 HB2 0.0020 0.0050 0.0023 2360 SER 44 N 0.0023 0.0045 0.0031 2361 SER 44 CA 0.0025 0.0043 0.0034 2362 SER 44 C 0.0028 0.0044 0.0036 2363 SER 44 O 0.0028 0.0045 0.0034 2364 SER 44 CB 0.0022 0.0039 0.0037 2365 SER 44 OG 0.0025 0.0038 0.0040 2366 SER 44 H 0.0023 0.0046 0.0029 2367 SER 44 HA 0.0026 0.0043 0.0035 2368 SER 44 HB3 0.0021 0.0039 0.0036 2369 SER 44 HB2 0.0020 0.0038 0.0036 2370 SER 44 HG 0.0024 0.0037 0.0041 2371 GLY 45 N -0.0004 0.0029 0.0012 2372 GLY 45 CA -0.0011 0.0028 0.0010 2373 GLY 45 C -0.0016 0.0026 0.0011 2374 GLY 45 O -0.0015 0.0025 0.0014 2375 GLY 45 H -0.0003 0.0030 0.0012 2376 GLY 45 HA3 -0.0012 0.0026 0.0012 2377 GLY 45 HA2 -0.0011 0.0030 0.0005 2378 GLN 46 N -0.0023 0.0025 0.0008 2379 GLN 46 CA -0.0028 0.0023 0.0008 2380 GLN 46 C -0.0032 0.0019 0.0014 2381 GLN 46 O -0.0032 0.0018 0.0017 2382 GLN 46 CB -0.0034 0.0023 0.0002 2383 GLN 46 CG -0.0031 0.0027 -0.0005 2384 GLN 46 CD -0.0028 0.0028 -0.0007 2385 GLN 46 OE1 -0.0021 0.0031 -0.0008 2386 GLN 46 NE2 -0.0031 0.0027 -0.0007 2387 GLN 46 H -0.0024 0.0025 0.0005 2388 GLN 46 HA -0.0026 0.0023 0.0007 2389 GLN 46 HB3 -0.0038 0.0022 0.0002 2390 GLN 46 HB2 -0.0036 0.0022 0.0002 2391 GLN 46 HG3 -0.0035 0.0027 -0.0009 2392 GLN 46 HG2 -0.0027 0.0028 -0.0006 2393 GLN 46 HE22 -0.0029 0.0029 -0.0008 2394 GLN 46 HE21 -0.0036 0.0025 -0.0007 2395 CYS 47 N -0.0039 0.0016 0.0001 2396 CYS 47 CA -0.0039 0.0021 -0.0000 2397 CYS 47 C -0.0039 0.0029 0.0008 2398 CYS 47 O -0.0041 0.0027 0.0015 2399 CYS 47 CB -0.0039 0.0014 -0.0000 2400 CYS 47 SG -0.0038 0.0006 -0.0011 2401 CYS 47 H -0.0041 0.0013 0.0008 2402 CYS 47 HA -0.0037 0.0025 -0.0007 2403 CYS 47 HB3 -0.0039 0.0017 0.0001 2404 CYS 47 HB2 -0.0041 0.0009 0.0006 2405 GLU 48 N -0.0038 0.0038 0.0007 2406 GLU 48 CA -0.0039 0.0045 0.0014 2407 GLU 48 C -0.0038 0.0054 0.0011 2408 GLU 48 O -0.0036 0.0055 0.0002 2409 GLU 48 CB -0.0039 0.0049 0.0017 2410 GLU 48 CG -0.0041 0.0041 0.0022 2411 GLU 48 CD -0.0040 0.0042 0.0021 2412 GLU 48 OE1 -0.0039 0.0050 0.0018 2413 GLU 48 OE2 -0.0041 0.0036 0.0024 2414 GLU 48 H -0.0037 0.0039 0.0001 2415 GLU 48 HA -0.0040 0.0042 0.0021 2416 GLU 48 HB3 -0.0039 0.0055 0.0022 2417 GLU 48 HB2 -0.0038 0.0052 0.0011 2418 GLU 48 HG3 -0.0041 0.0034 0.0020 2419 GLU 48 HG2 -0.0042 0.0041 0.0030 2420 TYR 49 N -0.0042 0.0062 0.0035 2421 TYR 49 CA -0.0043 0.0080 0.0032 2422 TYR 49 C -0.0044 0.0078 0.0020 2423 TYR 49 O -0.0043 0.0066 0.0024 2424 TYR 49 CB -0.0044 0.0094 0.0023 2425 TYR 49 CG -0.0043 0.0097 0.0035 2426 TYR 49 CD1 -0.0043 0.0108 0.0051 2427 TYR 49 CD2 -0.0043 0.0089 0.0030 2428 TYR 49 CE1 -0.0042 0.0111 0.0062 2429 TYR 49 CE2 -0.0043 0.0091 0.0041 2430 TYR 49 CZ -0.0042 0.0102 0.0057 2431 TYR 49 OH -0.0042 0.0105 0.0068 2432 TYR 49 H -0.0041 0.0059 0.0048 2433 TYR 49 HA -0.0042 0.0085 0.0045 2434 TYR 49 HB3 -0.0044 0.0107 0.0021 2435 TYR 49 HB2 -0.0045 0.0089 0.0009 2436 TYR 49 HD1 -0.0043 0.0115 0.0055 2437 TYR 49 HD2 -0.0044 0.0080 0.0018 2438 TYR 49 HE1 -0.0042 0.0119 0.0074 2439 TYR 49 HE2 -0.0043 0.0085 0.0038 2440 TYR 49 HH -0.0041 0.0113 0.0078 2441 MET 50 N -0.0045 0.0089 0.0005 2442 MET 50 CA -0.0045 0.0088 -0.0006 2443 MET 50 C -0.0046 0.0080 -0.0026 2444 MET 50 O -0.0047 0.0080 -0.0038 2445 MET 50 CB -0.0046 0.0107 -0.0009 2446 MET 50 CG -0.0045 0.0118 0.0010 2447 MET 50 SD -0.0046 0.0141 0.0006 2448 MET 50 CE -0.0047 0.0134 -0.0003 2449 MET 50 H -0.0045 0.0097 0.0001 2450 MET 50 HA -0.0045 0.0079 0.0001 2451 MET 50 HB3 -0.0047 0.0106 -0.0016 2452 MET 50 HB2 -0.0047 0.0116 -0.0018 2453 MET 50 HG3 -0.0045 0.0119 0.0017 2454 MET 50 HG2 -0.0045 0.0110 0.0018 2455 MET 50 HE1 -0.0047 0.0147 -0.0006 2456 MET 50 HE2 -0.0047 0.0126 -0.0015 2457 MET 50 HE3 -0.0046 0.0126 0.0008 2458 PHE 51 N -0.0051 0.0054 0.0005 2459 PHE 51 CA -0.0050 0.0051 -0.0004 2460 PHE 51 C -0.0051 0.0041 -0.0009 2461 PHE 51 O -0.0053 0.0034 -0.0004 2462 PHE 51 CB -0.0050 0.0051 -0.0001 2463 PHE 51 CG -0.0050 0.0061 0.0003 2464 PHE 51 CD1 -0.0047 0.0069 -0.0002 2465 PHE 51 CD2 -0.0051 0.0061 0.0011 2466 PHE 51 CE1 -0.0046 0.0078 0.0001 2467 PHE 51 CE2 -0.0051 0.0070 0.0015 2468 PHE 51 CZ -0.0048 0.0078 0.0010 2469 PHE 51 H -0.0052 0.0054 0.0011 2470 PHE 51 HA -0.0048 0.0056 -0.0009 2471 PHE 51 HB3 -0.0049 0.0049 -0.0008 2472 PHE 51 HB2 -0.0053 0.0045 0.0004 2473 PHE 51 HD1 -0.0046 0.0069 -0.0009 2474 PHE 51 HD2 -0.0053 0.0055 0.0015 2475 PHE 51 HE1 -0.0045 0.0084 -0.0002 2476 PHE 51 HE2 -0.0052 0.0070 0.0021 2477 PHE 51 HZ -0.0048 0.0085 0.0013 2478 MET 52 N -0.0049 0.0041 -0.0018 2479 MET 52 CA -0.0049 0.0032 -0.0024 2480 MET 52 C -0.0050 0.0027 -0.0022 2481 MET 52 O -0.0051 0.0018 -0.0023 2482 MET 52 CB -0.0050 0.0025 -0.0022 2483 MET 52 CG -0.0050 0.0030 -0.0022 2484 MET 52 SD -0.0046 0.0036 -0.0032 2485 MET 52 CE -0.0046 0.0026 -0.0040 2486 MET 52 H -0.0047 0.0047 -0.0022 2487 MET 52 HA -0.0047 0.0034 -0.0032 2488 MET 52 HB3 -0.0050 0.0019 -0.0028 2489 MET 52 HB2 -0.0052 0.0021 -0.0016 2490 MET 52 HG3 -0.0051 0.0024 -0.0020 2491 MET 52 HG2 -0.0050 0.0035 -0.0016 2492 MET 52 HE1 -0.0045 0.0028 -0.0047 2493 MET 52 HE2 -0.0048 0.0022 -0.0037 2494 MET 52 HE3 -0.0047 0.0021 -0.0041 2495 GLN 53 N -0.0044 0.0043 -0.0037 2496 GLN 53 CA -0.0044 0.0040 -0.0032 2497 GLN 53 C -0.0043 0.0039 -0.0032 2498 GLN 53 O -0.0045 0.0042 -0.0034 2499 GLN 53 CB -0.0048 0.0042 -0.0027 2500 GLN 53 CG -0.0048 0.0041 -0.0026 2501 GLN 53 CD -0.0053 0.0043 -0.0022 2502 GLN 53 OE1 -0.0054 0.0043 -0.0019 2503 GLN 53 NE2 -0.0054 0.0044 -0.0022 2504 GLN 53 H -0.0046 0.0047 -0.0037 2505 GLN 53 HA -0.0042 0.0037 -0.0031 2506 GLN 53 HB3 -0.0048 0.0040 -0.0024 2507 GLN 53 HB2 -0.0050 0.0045 -0.0028 2508 GLN 53 HG3 -0.0048 0.0043 -0.0030 2509 GLN 53 HG2 -0.0046 0.0038 -0.0025 2510 GLN 53 HE22 -0.0056 0.0046 -0.0019 2511 GLN 53 HE21 -0.0052 0.0044 -0.0025 2512 LYS 54 N -0.0041 0.0035 -0.0030 2513 LYS 54 CA -0.0040 0.0033 -0.0029 2514 LYS 54 C -0.0042 0.0032 -0.0024 2515 LYS 54 O -0.0044 0.0034 -0.0024 2516 LYS 54 CB -0.0035 0.0029 -0.0031 2517 LYS 54 CG -0.0034 0.0026 -0.0030 2518 LYS 54 CD -0.0029 0.0022 -0.0031 2519 LYS 54 CE -0.0027 0.0020 -0.0031 2520 LYS 54 NZ -0.0023 0.0015 -0.0031 2521 LYS 54 H -0.0040 0.0032 -0.0028 2522 LYS 54 HA -0.0040 0.0036 -0.0032 2523 LYS 54 HB3 -0.0035 0.0027 -0.0029 2524 LYS 54 HB2 -0.0034 0.0030 -0.0035 2525 LYS 54 HG3 -0.0034 0.0028 -0.0032 2526 LYS 54 HG2 -0.0036 0.0025 -0.0026 2527 LYS 54 HD3 -0.0029 0.0020 -0.0028 2528 LYS 54 HD2 -0.0028 0.0023 -0.0035 2529 LYS 54 HE3 -0.0027 0.0022 -0.0034 2530 LYS 54 HE2 -0.0029 0.0019 -0.0028 2531 LYS 54 HZ1 -0.0022 0.0015 -0.0034 2532 LYS 54 HZ2 -0.0024 0.0013 -0.0028 2533 LYS 54 HZ3 -0.0022 0.0014 -0.0032 2534 TYR 55 N -0.0035 0.0058 -0.0050 2535 TYR 55 CA -0.0035 0.0062 -0.0034 2536 TYR 55 C -0.0038 0.0071 -0.0022 2537 TYR 55 O -0.0036 0.0067 -0.0020 2538 TYR 55 CB -0.0027 0.0049 -0.0026 2539 TYR 55 CG -0.0024 0.0042 -0.0036 2540 TYR 55 CD1 -0.0030 0.0051 -0.0042 2541 TYR 55 CD2 -0.0016 0.0027 -0.0038 2542 TYR 55 CE1 -0.0028 0.0044 -0.0051 2543 TYR 55 CE2 -0.0014 0.0020 -0.0047 2544 TYR 55 CZ -0.0020 0.0029 -0.0053 2545 TYR 55 OH -0.0017 0.0023 -0.0062 2546 TYR 55 H -0.0030 0.0049 -0.0050 2547 TYR 55 HA -0.0040 0.0070 -0.0037 2548 TYR 55 HB3 -0.0027 0.0052 -0.0013 2549 TYR 55 HB2 -0.0022 0.0041 -0.0025 2550 TYR 55 HD1 -0.0036 0.0063 -0.0040 2551 TYR 55 HD2 -0.0012 0.0019 -0.0034 2552 TYR 55 HE1 -0.0032 0.0052 -0.0056 2553 TYR 55 HE2 -0.0008 0.0008 -0.0049 2554 TYR 55 HH -0.0021 0.0030 -0.0063 2555 PRO 56 N -0.0044 0.0083 -0.0014 2556 PRO 56 CA -0.0047 0.0093 -0.0002 2557 PRO 56 C -0.0041 0.0085 0.0014 2558 PRO 56 O -0.0043 0.0090 0.0022 2559 PRO 56 CB -0.0054 0.0106 0.0003 2560 PRO 56 CG -0.0050 0.0099 0.0000 2561 PRO 56 CD -0.0047 0.0088 -0.0015 2562 PRO 56 HA -0.0051 0.0098 -0.0008 2563 PRO 56 HB3 -0.0060 0.0115 -0.0005 2564 PRO 56 HB2 -0.0053 0.0109 0.0017 2565 PRO 56 HG3 -0.0055 0.0108 -0.0003 2566 PRO 56 HG2 -0.0046 0.0093 0.0011 2567 PRO 56 HD2 -0.0041 0.0079 -0.0014 2568 PRO 56 HD3 -0.0051 0.0094 -0.0026 2569 HIS 57 N -0.0044 0.0080 -0.0025 2570 HIS 57 CA -0.0045 0.0075 -0.0015 2571 HIS 57 C -0.0045 0.0071 -0.0007 2572 HIS 57 O -0.0043 0.0071 0.0003 2573 HIS 57 CB -0.0048 0.0065 -0.0019 2574 HIS 57 CG -0.0049 0.0059 -0.0010 2575 HIS 57 ND1 -0.0051 0.0051 -0.0004 2576 HIS 57 CD2 -0.0048 0.0060 -0.0006 2577 HIS 57 CE1 -0.0051 0.0047 0.0004 2578 HIS 57 NE2 -0.0049 0.0052 0.0003 2579 HIS 57 H -0.0047 0.0077 -0.0033 2580 HIS 57 HA -0.0042 0.0080 -0.0012 2581 HIS 57 HB3 -0.0051 0.0060 -0.0024 2582 HIS 57 HB2 -0.0048 0.0068 -0.0025 2583 HIS 57 HD2 -0.0047 0.0066 -0.0009 2584 HIS 57 HE1 -0.0052 0.0040 0.0010 2585 HIS 57 HE2 -0.0049 0.0051 0.0007 2586 THR 58 N -0.0047 0.0067 -0.0010 2587 THR 58 CA -0.0047 0.0062 -0.0003 2588 THR 58 C -0.0043 0.0071 0.0005 2589 THR 58 O -0.0042 0.0069 0.0015 2590 THR 58 CB -0.0049 0.0059 -0.0010 2591 THR 58 OG1 -0.0053 0.0051 -0.0018 2592 THR 58 CG2 -0.0049 0.0054 -0.0003 2593 THR 58 H -0.0048 0.0066 -0.0019 2594 THR 58 HA -0.0048 0.0055 0.0002 2595 THR 58 HB -0.0047 0.0066 -0.0015 2596 THR 58 HG1 -0.0055 0.0044 -0.0014 2597 THR 58 HG21 -0.0051 0.0052 -0.0008 2598 THR 58 HG22 -0.0046 0.0060 0.0003 2599 THR 58 HG23 -0.0051 0.0047 0.0002 2600 HIS 59 N -0.0032 0.0098 0.0024 2601 HIS 59 CA -0.0029 0.0107 0.0030 2602 HIS 59 C -0.0026 0.0111 0.0041 2603 HIS 59 O -0.0023 0.0114 0.0051 2604 HIS 59 CB -0.0030 0.0119 0.0022 2605 HIS 59 CG -0.0027 0.0129 0.0029 2606 HIS 59 ND1 -0.0026 0.0128 0.0033 2607 HIS 59 CD2 -0.0025 0.0140 0.0031 2608 HIS 59 CE1 -0.0023 0.0138 0.0038 2609 HIS 59 NE2 -0.0023 0.0146 0.0037 2610 HIS 59 H -0.0034 0.0100 0.0015 2611 HIS 59 HA -0.0029 0.0103 0.0033 2612 HIS 59 HB3 -0.0031 0.0122 0.0018 2613 HIS 59 HB2 -0.0033 0.0116 0.0015 2614 HIS 59 HD2 -0.0025 0.0143 0.0029 2615 HIS 59 HE1 -0.0022 0.0139 0.0042 2616 HIS 59 HE2 -0.0021 0.0155 0.0040 2617 LEU 60 N -0.0026 0.0112 0.0040 2618 LEU 60 CA -0.0023 0.0116 0.0050 2619 LEU 60 C -0.0021 0.0107 0.0060 2620 LEU 60 O -0.0018 0.0110 0.0070 2621 LEU 60 CB -0.0024 0.0119 0.0045 2622 LEU 60 CG -0.0025 0.0130 0.0036 2623 LEU 60 CD1 -0.0027 0.0131 0.0030 2624 LEU 60 CD2 -0.0022 0.0142 0.0043 2625 LEU 60 H -0.0028 0.0110 0.0032 2626 LEU 60 HA -0.0021 0.0125 0.0053 2627 LEU 60 HB3 -0.0021 0.0121 0.0053 2628 LEU 60 HB2 -0.0026 0.0111 0.0041 2629 LEU 60 HG -0.0027 0.0129 0.0030 2630 LEU 60 HD11 -0.0027 0.0139 0.0023 2631 LEU 60 HD12 -0.0029 0.0122 0.0025 2632 LEU 60 HD13 -0.0025 0.0131 0.0036 2633 LEU 60 HD21 -0.0022 0.0150 0.0036 2634 LEU 60 HD22 -0.0020 0.0143 0.0049 2635 LEU 60 HD23 -0.0020 0.0142 0.0047 2636 VAL 61 N -0.0033 0.0084 0.0007 2637 VAL 61 CA -0.0036 0.0072 0.0020 2638 VAL 61 C -0.0033 0.0073 0.0034 2639 VAL 61 O -0.0030 0.0071 0.0048 2640 VAL 61 CB -0.0045 0.0057 0.0014 2641 VAL 61 CG1 -0.0048 0.0045 0.0028 2642 VAL 61 CG2 -0.0048 0.0055 0.0004 2643 VAL 61 H -0.0037 0.0081 -0.0003 2644 VAL 61 HA -0.0034 0.0074 0.0025 2645 VAL 61 HB -0.0047 0.0056 0.0007 2646 VAL 61 HG11 -0.0054 0.0034 0.0023 2647 VAL 61 HG12 -0.0046 0.0046 0.0035 2648 VAL 61 HG13 -0.0046 0.0045 0.0035 2649 VAL 61 HG21 -0.0055 0.0044 -0.0001 2650 VAL 61 HG22 -0.0046 0.0056 0.0011 2651 VAL 61 HG23 -0.0047 0.0063 -0.0006 2652 GLN 62 N -0.0032 0.0075 0.0030 2653 GLN 62 CA -0.0029 0.0077 0.0042 2654 GLN 62 C -0.0020 0.0089 0.0052 2655 GLN 62 O -0.0018 0.0087 0.0067 2656 GLN 62 CB -0.0029 0.0080 0.0034 2657 GLN 62 CG -0.0037 0.0066 0.0028 2658 GLN 62 CD -0.0038 0.0070 0.0018 2659 GLN 62 OE1 -0.0037 0.0077 0.0005 2660 GLN 62 NE2 -0.0039 0.0065 0.0024 2661 GLN 62 H -0.0034 0.0077 0.0018 2662 GLN 62 HA -0.0032 0.0066 0.0049 2663 GLN 62 HB3 -0.0025 0.0084 0.0042 2664 GLN 62 HB2 -0.0027 0.0088 0.0024 2665 GLN 62 HG3 -0.0042 0.0061 0.0021 2666 GLN 62 HG2 -0.0039 0.0058 0.0038 2667 GLN 62 HE22 -0.0039 0.0067 0.0018 2668 GLN 62 HE21 -0.0039 0.0059 0.0035 2669 GLN 63 N -0.0022 0.0130 0.0066 2670 GLN 63 CA -0.0013 0.0138 0.0071 2671 GLN 63 C -0.0017 0.0134 0.0076 2672 GLN 63 O -0.0014 0.0137 0.0088 2673 GLN 63 CB -0.0005 0.0146 0.0060 2674 GLN 63 CG 0.0000 0.0151 0.0057 2675 GLN 63 CD 0.0010 0.0161 0.0050 2676 GLN 63 OE1 0.0010 0.0161 0.0038 2677 GLN 63 NE2 0.0019 0.0169 0.0057 2678 GLN 63 H -0.0023 0.0129 0.0056 2679 GLN 63 HA -0.0010 0.0141 0.0080 2680 GLN 63 HB3 -0.0000 0.0151 0.0063 2681 GLN 63 HB2 -0.0009 0.0142 0.0050 2682 GLN 63 HG3 -0.0004 0.0147 0.0050 2683 GLN 63 HG2 0.0002 0.0152 0.0067 2684 GLN 63 HE22 0.0026 0.0175 0.0053 2685 GLN 63 HE21 0.0018 0.0168 0.0067 2686 ALA 64 N -0.0023 0.0128 0.0068 2687 ALA 64 CA -0.0027 0.0125 0.0072 2688 ALA 64 C -0.0034 0.0118 0.0085 2689 ALA 64 O -0.0034 0.0117 0.0093 2690 ALA 64 CB -0.0033 0.0120 0.0059 2691 ALA 64 H -0.0025 0.0127 0.0059 2692 ALA 64 HA -0.0021 0.0131 0.0075 2693 ALA 64 HB1 -0.0036 0.0117 0.0062 2694 ALA 64 HB2 -0.0028 0.0125 0.0050 2695 ALA 64 HB3 -0.0039 0.0114 0.0056 2696 ASN 65 N -0.0021 0.0083 0.0043 2697 ASN 65 CA -0.0021 0.0060 0.0056 2698 ASN 65 C -0.0018 0.0048 0.0073 2699 ASN 65 O -0.0012 0.0046 0.0096 2700 ASN 65 CB -0.0016 0.0066 0.0070 2701 ASN 65 CG -0.0017 0.0043 0.0080 2702 ASN 65 OD1 -0.0011 0.0045 0.0099 2703 ASN 65 ND2 -0.0024 0.0022 0.0070 2704 ASN 65 H -0.0026 0.0086 0.0025 2705 ASN 65 HA -0.0028 0.0047 0.0042 2706 ASN 65 HB3 -0.0009 0.0078 0.0086 2707 ASN 65 HB2 -0.0017 0.0078 0.0059 2708 ASN 65 HD22 -0.0024 0.0007 0.0076 2709 ASN 65 HD21 -0.0028 0.0021 0.0055 2710 PRO 66 N -0.0023 0.0039 0.0063 2711 PRO 66 CA -0.0020 0.0028 0.0079 2712 PRO 66 C -0.0022 0.0001 0.0088 2713 PRO 66 O -0.0027 -0.0011 0.0079 2714 PRO 66 CB -0.0025 0.0028 0.0062 2715 PRO 66 CG -0.0033 0.0025 0.0037 2716 PRO 66 CD -0.0031 0.0039 0.0037 2717 PRO 66 HA -0.0013 0.0040 0.0095 2718 PRO 66 HB3 -0.0022 0.0046 0.0063 2719 PRO 66 HB2 -0.0026 0.0011 0.0067 2720 PRO 66 HG3 -0.0036 0.0034 0.0023 2721 PRO 66 HG2 -0.0037 0.0005 0.0034 2722 PRO 66 HD2 -0.0036 0.0028 0.0027 2723 PRO 66 HD3 -0.0030 0.0058 0.0030 2724 ARG 67 N 0.0129 -0.0048 0.0029 2725 ARG 67 CA 0.0120 -0.0079 0.0047 2726 ARG 67 C 0.0068 -0.0088 0.0037 2727 ARG 67 O 0.0047 -0.0061 0.0012 2728 ARG 67 CB 0.0149 -0.0067 0.0048 2729 ARG 67 CG 0.0186 -0.0093 0.0077 2730 ARG 67 CD 0.0215 -0.0076 0.0075 2731 ARG 67 NE 0.0187 -0.0067 0.0060 2732 ARG 67 CZ 0.0194 -0.0033 0.0039 2733 ARG 67 NH1 0.0230 -0.0005 0.0030 2734 ARG 67 NH2 0.0167 -0.0028 0.0026 2735 ARG 67 H 0.0150 -0.0022 0.0017 2736 ARG 67 HA 0.0130 -0.0107 0.0069 2737 ARG 67 HB3 0.0126 -0.0067 0.0040 2738 ARG 67 HB2 0.0166 -0.0035 0.0031 2739 ARG 67 HG3 0.0208 -0.0094 0.0085 2740 ARG 67 HG2 0.0169 -0.0123 0.0093 2741 ARG 67 HD3 0.0239 -0.0049 0.0063 2742 ARG 67 HD2 0.0237 -0.0098 0.0097 2743 ARG 67 HE 0.0160 -0.0089 0.0066 2744 ARG 67 HH12 0.0236 0.0021 0.0014 2745 ARG 67 HH11 0.0251 -0.0009 0.0040 2746 ARG 67 HH22 0.0173 -0.0002 0.0010 2747 ARG 67 HH21 0.0139 -0.0049 0.0033 2748 GLY 68 N 0.0048 -0.0127 0.0058 2749 GLY 68 CA -0.0001 -0.0140 0.0052 2750 GLY 68 C -0.0035 -0.0140 0.0041 2751 GLY 68 O -0.0078 -0.0148 0.0033 2752 GLY 68 H 0.0066 -0.0148 0.0078 2753 GLY 68 HA3 -0.0010 -0.0121 0.0036 2754 GLY 68 HA2 -0.0004 -0.0170 0.0071 2755 SER 69 N -0.0036 -0.0069 0.0038 2756 SER 69 CA -0.0026 -0.0060 0.0018 2757 SER 69 C -0.0024 -0.0050 0.0013 2758 SER 69 O -0.0028 -0.0034 0.0022 2759 SER 69 CB -0.0026 -0.0044 0.0016 2760 SER 69 OG -0.0029 -0.0023 0.0023 2761 SER 69 H -0.0041 -0.0059 0.0049 2762 SER 69 HA -0.0022 -0.0074 0.0008 2763 SER 69 HB3 -0.0029 -0.0049 0.0024 2764 SER 69 HB2 -0.0018 -0.0042 0.0001 2765 SER 69 HG -0.0036 -0.0022 0.0037 2766 ALA 70 N -0.0017 -0.0060 -0.0001 2767 ALA 70 CA -0.0015 -0.0053 -0.0007 2768 ALA 70 C -0.0008 -0.0034 -0.0021 2769 ALA 70 O -0.0006 -0.0025 -0.0025 2770 ALA 70 CB -0.0010 -0.0072 -0.0016 2771 ALA 70 H -0.0013 -0.0073 -0.0009 2772 ALA 70 HA -0.0021 -0.0049 0.0007 2773 ALA 70 HB1 -0.0008 -0.0067 -0.0020 2774 ALA 70 HB2 -0.0015 -0.0086 -0.0005 2775 ALA 70 HB3 -0.0004 -0.0078 -0.0029 2776 GLY 71 N -0.0024 -0.0002 0.0012 2777 GLY 71 CA -0.0028 0.0003 0.0006 2778 GLY 71 C -0.0031 0.0000 -0.0001 2779 GLY 71 O -0.0029 -0.0005 -0.0001 2780 GLY 71 H -0.0023 0.0000 0.0016 2781 GLY 71 HA3 -0.0029 0.0001 0.0004 2782 GLY 71 HA2 -0.0030 0.0009 0.0008 2783 PRO 72 N -0.0035 0.0005 -0.0008 2784 PRO 72 CA -0.0038 0.0003 -0.0015 2785 PRO 72 C -0.0037 -0.0005 -0.0019 2786 PRO 72 O -0.0036 -0.0009 -0.0020 2787 PRO 72 CB -0.0043 0.0010 -0.0020 2788 PRO 72 CG -0.0043 0.0016 -0.0014 2789 PRO 72 CD -0.0038 0.0012 -0.0009 2790 PRO 72 HA -0.0037 0.0004 -0.0013 2791 PRO 72 HB3 -0.0045 0.0013 -0.0022 2792 PRO 72 HB2 -0.0044 0.0007 -0.0025 2793 PRO 72 HG3 -0.0043 0.0021 -0.0011 2794 PRO 72 HG2 -0.0045 0.0019 -0.0018 2795 PRO 72 HD2 -0.0038 0.0009 -0.0011 2796 PRO 72 HD3 -0.0037 0.0016 -0.0003 2797 CYS 73 N -0.0020 -0.0013 -0.0042 2798 CYS 73 CA -0.0020 -0.0006 -0.0037 2799 CYS 73 C -0.0012 -0.0006 -0.0032 2800 CYS 73 O -0.0008 -0.0012 -0.0033 2801 CYS 73 CB -0.0026 -0.0004 -0.0040 2802 CYS 73 SG -0.0025 -0.0011 -0.0043 2803 CYS 73 H -0.0019 -0.0018 -0.0044 2804 CYS 73 HA -0.0022 -0.0001 -0.0036 2805 CYS 73 HB3 -0.0032 -0.0003 -0.0043 2806 CYS 73 HB2 -0.0026 0.0001 -0.0037 2807 CYS 74 N -0.0011 0.0001 -0.0027 2808 CYS 74 CA -0.0004 0.0001 -0.0022 2809 CYS 74 C -0.0005 0.0002 -0.0023 2810 CYS 74 O -0.0009 0.0007 -0.0023 2811 CYS 74 CB -0.0002 0.0009 -0.0017 2812 CYS 74 SG 0.0007 0.0010 -0.0010 2813 CYS 74 H -0.0014 0.0005 -0.0027 2814 CYS 74 HA 0.0001 -0.0003 -0.0022 2815 CYS 74 HB3 -0.0007 0.0014 -0.0017 2816 CYS 74 HB2 -0.0002 0.0009 -0.0017 2817 THR 75 N 0.0003 -0.0006 -0.0043 2818 THR 75 CA 0.0008 0.0001 -0.0038 2819 THR 75 C 0.0012 -0.0003 -0.0024 2820 THR 75 O 0.0010 -0.0013 -0.0019 2821 THR 75 CB 0.0005 -0.0002 -0.0043 2822 THR 75 OG1 0.0009 0.0007 -0.0042 2823 THR 75 CG2 0.0002 -0.0015 -0.0038 2824 THR 75 H 0.0002 -0.0015 -0.0040 2825 THR 75 HA 0.0011 0.0011 -0.0039 2826 THR 75 HB 0.0001 -0.0002 -0.0053 2827 THR 75 HG1 0.0007 0.0009 -0.0049 2828 THR 75 HG21 -0.0000 -0.0017 -0.0042 2829 THR 75 HG22 -0.0001 -0.0022 -0.0040 2830 THR 75 HG23 0.0006 -0.0015 -0.0028 2831 PRO 76 N 0.0018 0.0005 -0.0016 2832 PRO 76 CA 0.0021 0.0001 -0.0003 2833 PRO 76 C 0.0018 -0.0011 0.0001 2834 PRO 76 O 0.0016 -0.0012 -0.0004 2835 PRO 76 CB 0.0027 0.0012 0.0002 2836 PRO 76 CG 0.0027 0.0023 -0.0008 2837 PRO 76 CD 0.0021 0.0018 -0.0020 2838 PRO 76 HA 0.0022 -0.0000 0.0001 2839 PRO 76 HB3 0.0031 0.0014 0.0011 2840 PRO 76 HB2 0.0027 0.0011 0.0002 2841 PRO 76 HG3 0.0029 0.0027 -0.0006 2842 PRO 76 HG2 0.0030 0.0030 -0.0008 2843 PRO 76 HD2 0.0020 0.0018 -0.0023 2844 PRO 76 HD3 0.0020 0.0023 -0.0026 2845 THR 77 N -0.0007 0.0030 -0.0001 2846 THR 77 CA -0.0017 0.0029 0.0012 2847 THR 77 C -0.0023 0.0037 0.0032 2848 THR 77 O -0.0029 0.0040 0.0046 2849 THR 77 CB -0.0032 0.0011 0.0008 2850 THR 77 OG1 -0.0041 0.0002 0.0008 2851 THR 77 CG2 -0.0026 0.0003 -0.0012 2852 THR 77 H -0.0013 0.0023 -0.0002 2853 THR 77 HA -0.0009 0.0036 0.0010 2854 THR 77 HB -0.0039 0.0011 0.0019 2855 THR 77 HG1 -0.0035 0.0002 -0.0002 2856 THR 77 HG21 -0.0037 -0.0009 -0.0014 2857 THR 77 HG22 -0.0019 0.0010 -0.0012 2858 THR 77 HG23 -0.0019 0.0003 -0.0023 2859 LYS 78 N -0.0020 0.0041 0.0035 2860 LYS 78 CA -0.0024 0.0051 0.0054 2861 LYS 78 C -0.0013 0.0061 0.0052 2862 LYS 78 O -0.0011 0.0055 0.0041 2863 LYS 78 CB -0.0041 0.0040 0.0064 2864 LYS 78 CG -0.0046 0.0049 0.0084 2865 LYS 78 CD -0.0064 0.0038 0.0094 2866 LYS 78 CE -0.0067 0.0048 0.0114 2867 LYS 78 NZ -0.0084 0.0037 0.0123 2868 LYS 78 H -0.0016 0.0038 0.0023 2869 LYS 78 HA -0.0021 0.0059 0.0062 2870 LYS 78 HB3 -0.0044 0.0032 0.0056 2871 LYS 78 HB2 -0.0049 0.0031 0.0063 2872 LYS 78 HG3 -0.0044 0.0057 0.0092 2873 LYS 78 HG2 -0.0038 0.0058 0.0085 2874 LYS 78 HD3 -0.0066 0.0030 0.0085 2875 LYS 78 HD2 -0.0072 0.0030 0.0095 2876 LYS 78 HE3 -0.0065 0.0056 0.0123 2877 LYS 78 HE2 -0.0059 0.0056 0.0113 2878 LYS 78 HZ1 -0.0086 0.0030 0.0115 2879 LYS 78 HZ2 -0.0087 0.0044 0.0136 2880 LYS 78 HZ3 -0.0092 0.0030 0.0124 2881 MET 79 N 0.0034 0.0019 0.0032 2882 MET 79 CA 0.0036 0.0020 0.0032 2883 MET 79 C 0.0032 0.0023 0.0036 2884 MET 79 O 0.0028 0.0027 0.0040 2885 MET 79 CB 0.0044 0.0024 0.0032 2886 MET 79 CG 0.0049 0.0022 0.0028 2887 MET 79 SD 0.0052 0.0015 0.0023 2888 MET 79 CE 0.0058 0.0020 0.0023 2889 MET 79 H 0.0033 0.0023 0.0035 2890 MET 79 HA 0.0037 0.0016 0.0029 2891 MET 79 HB3 0.0046 0.0025 0.0032 2892 MET 79 HB2 0.0044 0.0029 0.0035 2893 MET 79 HG3 0.0053 0.0025 0.0029 2894 MET 79 HG2 0.0046 0.0020 0.0028 2895 MET 79 HE1 0.0060 0.0016 0.0020 2896 MET 79 HE2 0.0062 0.0023 0.0024 2897 MET 79 HE3 0.0055 0.0022 0.0026 2898 SER 80 N 0.0031 0.0022 0.0035 2899 SER 80 CA 0.0028 0.0025 0.0039 2900 SER 80 C 0.0033 0.0028 0.0039 2901 SER 80 O 0.0038 0.0026 0.0036 2902 SER 80 CB 0.0022 0.0020 0.0038 2903 SER 80 OG 0.0016 0.0019 0.0039 2904 SER 80 H 0.0034 0.0019 0.0032 2905 SER 80 HA 0.0026 0.0028 0.0042 2906 SER 80 HB3 0.0020 0.0022 0.0040 2907 SER 80 HB2 0.0023 0.0016 0.0034 2908 SER 80 HG 0.0016 0.0017 0.0037 2909 PRO 81 N -0.0000 0.0065 0.0003 2910 PRO 81 CA 0.0001 0.0063 0.0003 2911 PRO 81 C -0.0005 0.0056 0.0000 2912 PRO 81 O -0.0010 0.0054 -0.0002 2913 PRO 81 CB -0.0002 0.0071 0.0004 2914 PRO 81 CG -0.0008 0.0075 0.0003 2915 PRO 81 CD -0.0006 0.0072 0.0003 2916 PRO 81 HA 0.0007 0.0061 0.0005 2917 PRO 81 HB3 0.0003 0.0075 0.0006 2918 PRO 81 HB2 -0.0005 0.0069 0.0003 2919 PRO 81 HG3 -0.0008 0.0081 0.0004 2920 PRO 81 HG2 -0.0014 0.0072 0.0000 2921 PRO 81 HD2 -0.0011 0.0070 0.0001 2922 PRO 81 HD3 -0.0003 0.0077 0.0005 2923 ILE 82 N -0.0003 0.0053 0.0000 2924 ILE 82 CA -0.0009 0.0048 -0.0003 2925 ILE 82 C -0.0011 0.0051 -0.0003 2926 ILE 82 O -0.0005 0.0054 -0.0000 2927 ILE 82 CB -0.0007 0.0039 -0.0004 2928 ILE 82 CG1 0.0001 0.0037 -0.0002 2929 ILE 82 CG2 -0.0007 0.0035 -0.0005 2930 ILE 82 CD1 0.0002 0.0028 -0.0003 2931 ILE 82 H 0.0002 0.0053 0.0002 2932 ILE 82 HA -0.0015 0.0049 -0.0004 2933 ILE 82 HB -0.0012 0.0036 -0.0006 2934 ILE 82 HG13 0.0001 0.0040 -0.0001 2935 ILE 82 HG12 0.0005 0.0038 0.0000 2936 ILE 82 HG21 -0.0006 0.0029 -0.0005 2937 ILE 82 HG22 -0.0013 0.0036 -0.0006 2938 ILE 82 HG23 -0.0003 0.0038 -0.0003 2939 ILE 82 HD11 0.0008 0.0027 -0.0001 2940 ILE 82 HD12 -0.0003 0.0026 -0.0005 2941 ILE 82 HD13 0.0002 0.0024 -0.0004 2942 ASN 83 N -0.0042 0.0059 -0.0045 2943 ASN 83 CA -0.0044 0.0057 -0.0047 2944 ASN 83 C -0.0038 0.0042 -0.0046 2945 ASN 83 O -0.0039 0.0031 -0.0050 2946 ASN 83 CB -0.0057 0.0060 -0.0056 2947 ASN 83 CG -0.0062 0.0075 -0.0057 2948 ASN 83 OD1 -0.0071 0.0077 -0.0063 2949 ASN 83 ND2 -0.0059 0.0086 -0.0051 2950 ASN 83 H -0.0049 0.0057 -0.0051 2951 ASN 83 HA -0.0039 0.0065 -0.0041 2952 ASN 83 HB3 -0.0058 0.0058 -0.0058 2953 ASN 83 HB2 -0.0061 0.0052 -0.0062 2954 ASN 83 HD22 -0.0062 0.0096 -0.0052 2955 ASN 83 HD21 -0.0052 0.0084 -0.0047 2956 MET 84 N -0.0032 0.0040 -0.0042 2957 MET 84 CA -0.0026 0.0026 -0.0041 2958 MET 84 C -0.0028 0.0024 -0.0043 2959 MET 84 O -0.0028 0.0034 -0.0041 2960 MET 84 CB -0.0013 0.0024 -0.0031 2961 MET 84 CG -0.0010 0.0025 -0.0029 2962 MET 84 SD 0.0005 0.0020 -0.0018 2963 MET 84 CE 0.0007 0.0001 -0.0021 2964 MET 84 H -0.0031 0.0049 -0.0039 2965 MET 84 HA -0.0030 0.0018 -0.0046 2966 MET 84 HB3 -0.0009 0.0014 -0.0030 2967 MET 84 HB2 -0.0009 0.0032 -0.0026 2968 MET 84 HG3 -0.0014 0.0035 -0.0029 2969 MET 84 HG2 -0.0015 0.0017 -0.0035 2970 MET 84 HE1 0.0016 -0.0004 -0.0015 2971 MET 84 HE2 0.0005 -0.0002 -0.0024 2972 MET 84 HE3 0.0001 -0.0004 -0.0027 2973 LEU 85 N -0.0028 0.0007 -0.0065 2974 LEU 85 CA -0.0024 0.0003 -0.0065 2975 LEU 85 C -0.0016 -0.0003 -0.0062 2976 LEU 85 O -0.0015 -0.0008 -0.0065 2977 LEU 85 CB -0.0028 -0.0001 -0.0073 2978 LEU 85 CG -0.0026 -0.0003 -0.0073 2979 LEU 85 CD1 -0.0029 0.0004 -0.0068 2980 LEU 85 CD2 -0.0029 -0.0008 -0.0082 2981 LEU 85 H -0.0029 0.0004 -0.0069 2982 LEU 85 HA -0.0024 0.0008 -0.0060 2983 LEU 85 HB3 -0.0027 -0.0006 -0.0077 2984 LEU 85 HB2 -0.0034 0.0003 -0.0076 2985 LEU 85 HG -0.0020 -0.0007 -0.0070 2986 LEU 85 HD11 -0.0027 0.0003 -0.0068 2987 LEU 85 HD12 -0.0026 0.0008 -0.0062 2988 LEU 85 HD13 -0.0035 0.0009 -0.0071 2989 LEU 85 HD21 -0.0028 -0.0010 -0.0082 2990 LEU 85 HD22 -0.0036 -0.0004 -0.0085 2991 LEU 85 HD23 -0.0027 -0.0014 -0.0085 2992 TYR 86 N -0.0010 -0.0003 -0.0055 2993 TYR 86 CA -0.0002 -0.0008 -0.0051 2994 TYR 86 C 0.0003 -0.0009 -0.0046 2995 TYR 86 O 0.0001 -0.0006 -0.0044 2996 TYR 86 CB -0.0001 -0.0003 -0.0045 2997 TYR 86 CG -0.0003 0.0005 -0.0038 2998 TYR 86 CD1 -0.0010 0.0012 -0.0040 2999 TYR 86 CD2 0.0003 0.0006 -0.0031 3000 TYR 86 CE1 -0.0012 0.0020 -0.0034 3001 TYR 86 CE2 0.0001 0.0014 -0.0025 3002 TYR 86 CZ -0.0006 0.0021 -0.0026 3003 TYR 86 OH -0.0008 0.0028 -0.0020 3004 TYR 86 H -0.0012 0.0001 -0.0052 3005 TYR 86 HA -0.0001 -0.0014 -0.0055 3006 TYR 86 HB3 -0.0005 -0.0003 -0.0049 3007 TYR 86 HB2 0.0005 -0.0007 -0.0042 3008 TYR 86 HD1 -0.0015 0.0011 -0.0046 3009 TYR 86 HD2 0.0009 0.0001 -0.0029 3010 TYR 86 HE1 -0.0018 0.0025 -0.0035 3011 TYR 86 HE2 0.0006 0.0015 -0.0019 3012 TYR 86 HH -0.0013 0.0032 -0.0023 3013 PHE 87 N -0.0007 -0.0018 -0.0066 3014 PHE 87 CA 0.0003 -0.0007 -0.0063 3015 PHE 87 C -0.0003 -0.0013 -0.0070 3016 PHE 87 O -0.0009 -0.0017 -0.0086 3017 PHE 87 CB 0.0014 0.0009 -0.0075 3018 PHE 87 CG 0.0022 0.0018 -0.0067 3019 PHE 87 CD1 0.0032 0.0026 -0.0051 3020 PHE 87 CD2 0.0021 0.0018 -0.0076 3021 PHE 87 CE1 0.0039 0.0034 -0.0044 3022 PHE 87 CE2 0.0029 0.0026 -0.0069 3023 PHE 87 CZ 0.0038 0.0034 -0.0053 3024 PHE 87 H -0.0008 -0.0017 -0.0079 3025 PHE 87 HA 0.0007 -0.0005 -0.0047 3026 PHE 87 HB3 0.0020 0.0016 -0.0075 3027 PHE 87 HB2 0.0010 0.0007 -0.0090 3028 PHE 87 HD1 0.0033 0.0026 -0.0044 3029 PHE 87 HD2 0.0014 0.0011 -0.0089 3030 PHE 87 HE1 0.0047 0.0040 -0.0031 3031 PHE 87 HE2 0.0027 0.0026 -0.0077 3032 PHE 87 HZ 0.0044 0.0040 -0.0047 3033 ASN 88 N -0.0002 -0.0014 -0.0057 3034 ASN 88 CA -0.0006 -0.0018 -0.0063 3035 ASN 88 C 0.0004 -0.0003 -0.0074 3036 ASN 88 O 0.0014 0.0009 -0.0077 3037 ASN 88 CB -0.0009 -0.0025 -0.0045 3038 ASN 88 CG 0.0003 -0.0013 -0.0029 3039 ASN 88 OD1 0.0014 0.0001 -0.0032 3040 ASN 88 ND2 0.0001 -0.0020 -0.0013 3041 ASN 88 H 0.0003 -0.0011 -0.0042 3042 ASN 88 HA -0.0015 -0.0026 -0.0073 3043 ASN 88 HB3 -0.0016 -0.0035 -0.0038 3044 ASN 88 HB2 -0.0013 -0.0029 -0.0050 3045 ASN 88 HD22 0.0008 -0.0013 -0.0002 3046 ASN 88 HD21 -0.0008 -0.0031 -0.0011 3047 ASP 89 N -0.0105 -0.0013 -0.0181 3048 ASP 89 CA -0.0086 0.0030 -0.0215 3049 ASP 89 C -0.0016 0.0068 -0.0174 3050 ASP 89 O 0.0014 0.0120 -0.0207 3051 ASP 89 CB -0.0130 -0.0007 -0.0223 3052 ASP 89 CG -0.0196 -0.0027 -0.0283 3053 ASP 89 OD1 -0.0202 0.0001 -0.0329 3054 ASP 89 OD2 -0.0241 -0.0069 -0.0285 3055 ASP 89 H -0.0143 -0.0059 -0.0169 3056 ASP 89 HA -0.0092 0.0063 -0.0268 3057 ASP 89 HB3 -0.0109 0.0021 -0.0234 3058 ASP 89 HB2 -0.0135 -0.0049 -0.0173 3059 LYS 90 N 0.0009 0.0041 -0.0103 3060 LYS 90 CA 0.0076 0.0074 -0.0060 3061 LYS 90 C 0.0120 0.0117 -0.0061 3062 LYS 90 O 0.0178 0.0146 -0.0023 3063 LYS 90 CB 0.0086 0.0027 0.0017 3064 LYS 90 CG 0.0047 -0.0017 0.0026 3065 LYS 90 CD 0.0037 -0.0077 0.0095 3066 LYS 90 CE 0.0015 -0.0115 0.0119 3067 LYS 90 NZ 0.0029 -0.0159 0.0197 3068 LYS 90 H -0.0017 -0.0003 -0.0079 3069 LYS 90 HA 0.0087 0.0101 -0.0083 3070 LYS 90 HB3 0.0136 0.0053 0.0049 3071 LYS 90 HB2 0.0076 0.0000 0.0041 3072 LYS 90 HG3 0.0001 -0.0028 -0.0020 3073 LYS 90 HG2 0.0072 0.0005 0.0030 3074 LYS 90 HD3 0.0081 -0.0065 0.0137 3075 LYS 90 HD2 0.0001 -0.0105 0.0086 3076 LYS 90 HE3 -0.0036 -0.0141 0.0088 3077 LYS 90 HE2 0.0041 -0.0083 0.0110 3078 LYS 90 HZ1 0.0076 -0.0134 0.0226 3079 LYS 90 HZ2 0.0014 -0.0183 0.0212 3080 LYS 90 HZ3 0.0004 -0.0188 0.0205 3081 GLN 91 N 0.0055 0.0088 -0.0086 3082 GLN 91 CA 0.0080 0.0115 -0.0091 3083 GLN 91 C 0.0105 0.0100 -0.0047 3084 GLN 91 O 0.0140 0.0124 -0.0038 3085 GLN 91 CB 0.0112 0.0160 -0.0109 3086 GLN 91 CG 0.0090 0.0177 -0.0153 3087 GLN 91 CD 0.0055 0.0178 -0.0190 3088 GLN 91 OE1 0.0057 0.0180 -0.0191 3089 GLN 91 NE2 0.0024 0.0177 -0.0222 3090 GLN 91 H 0.0022 0.0074 -0.0104 3091 GLN 91 HA 0.0058 0.0116 -0.0115 3092 GLN 91 HB3 0.0130 0.0180 -0.0113 3093 GLN 91 HB2 0.0137 0.0161 -0.0084 3094 GLN 91 HG3 0.0115 0.0209 -0.0163 3095 GLN 91 HG2 0.0076 0.0160 -0.0147 3096 GLN 91 HE22 0.0000 0.0177 -0.0247 3097 GLN 91 HE21 0.0024 0.0175 -0.0220 3098 GLN 92 N 0.0087 0.0059 -0.0019 3099 GLN 92 CA 0.0104 0.0040 0.0022 3100 GLN 92 C 0.0087 0.0032 0.0013 3101 GLN 92 O 0.0049 0.0023 -0.0016 3102 GLN 92 CB 0.0093 -0.0001 0.0057 3103 GLN 92 CG 0.0111 0.0004 0.0071 3104 GLN 92 CD 0.0093 -0.0037 0.0099 3105 GLN 92 OE1 0.0055 -0.0065 0.0091 3106 GLN 92 NE2 0.0120 -0.0041 0.0132 3107 GLN 92 H 0.0060 0.0041 -0.0026 3108 GLN 92 HA 0.0140 0.0061 0.0035 3109 GLN 92 HB3 0.0105 -0.0016 0.0087 3110 GLN 92 HB2 0.0058 -0.0023 0.0045 3111 GLN 92 HG3 0.0104 0.0023 0.0041 3112 GLN 92 HG2 0.0147 0.0021 0.0089 3113 GLN 92 HE22 0.0110 -0.0067 0.0152 3114 GLN 92 HE21 0.0152 -0.0017 0.0137 3115 ILE 93 N 0.0037 0.0004 -0.0022 3116 ILE 93 CA 0.0025 0.0003 -0.0029 3117 ILE 93 C 0.0012 -0.0000 -0.0019 3118 ILE 93 O 0.0013 -0.0001 -0.0007 3119 ILE 93 CB 0.0031 0.0005 -0.0032 3120 ILE 93 CG1 0.0044 0.0008 -0.0041 3121 ILE 93 CG2 0.0019 0.0003 -0.0039 3122 ILE 93 CD1 0.0052 0.0009 -0.0041 3123 ILE 93 H 0.0045 0.0005 -0.0017 3124 ILE 93 HA 0.0022 0.0004 -0.0039 3125 ILE 93 HB 0.0034 0.0004 -0.0021 3126 ILE 93 HG13 0.0051 0.0009 -0.0037 3127 ILE 93 HG12 0.0041 0.0009 -0.0052 3128 ILE 93 HG21 0.0023 0.0004 -0.0041 3129 ILE 93 HG22 0.0010 0.0001 -0.0032 3130 ILE 93 HG23 0.0016 0.0004 -0.0049 3131 ILE 93 HD11 0.0061 0.0012 -0.0048 3132 ILE 93 HD12 0.0055 0.0009 -0.0031 3133 ILE 93 HD13 0.0045 0.0009 -0.0046 3134 ILE 94 N 0.0001 -0.0001 -0.0024 3135 ILE 94 CA -0.0012 -0.0005 -0.0016 3136 ILE 94 C -0.0025 -0.0006 -0.0023 3137 ILE 94 O -0.0028 -0.0005 -0.0036 3138 ILE 94 CB -0.0016 -0.0006 -0.0013 3139 ILE 94 CG1 -0.0004 -0.0005 -0.0005 3140 ILE 94 CG2 -0.0030 -0.0009 -0.0004 3141 ILE 94 CD1 -0.0000 -0.0006 0.0010 3142 ILE 94 H 0.0001 -0.0000 -0.0034 3143 ILE 94 HA -0.0010 -0.0006 -0.0005 3144 ILE 94 HB -0.0018 -0.0005 -0.0023 3145 ILE 94 HG13 -0.0007 -0.0005 -0.0005 3146 ILE 94 HG12 0.0005 -0.0002 -0.0012 3147 ILE 94 HG21 -0.0033 -0.0010 -0.0003 3148 ILE 94 HG22 -0.0039 -0.0010 -0.0010 3149 ILE 94 HG23 -0.0028 -0.0010 0.0006 3150 ILE 94 HD11 0.0009 -0.0005 0.0014 3151 ILE 94 HD12 -0.0009 -0.0008 0.0017 3152 ILE 94 HD13 0.0003 -0.0005 0.0009 3153 TYR 95 N -0.0028 0.0029 -0.0041 3154 TYR 95 CA -0.0038 0.0038 -0.0047 3155 TYR 95 C -0.0036 0.0054 -0.0035 3156 TYR 95 O -0.0035 0.0064 -0.0027 3157 TYR 95 CB -0.0052 0.0042 -0.0061 3158 TYR 95 CG -0.0063 0.0053 -0.0067 3159 TYR 95 CD1 -0.0067 0.0046 -0.0076 3160 TYR 95 CD2 -0.0069 0.0071 -0.0062 3161 TYR 95 CE1 -0.0077 0.0056 -0.0081 3162 TYR 95 CE2 -0.0078 0.0082 -0.0067 3163 TYR 95 CZ -0.0083 0.0074 -0.0077 3164 TYR 95 OH -0.0092 0.0084 -0.0082 3165 TYR 95 H -0.0031 0.0033 -0.0041 3166 TYR 95 HA -0.0036 0.0029 -0.0050 3167 TYR 95 HB3 -0.0054 0.0048 -0.0059 3168 TYR 95 HB2 -0.0054 0.0030 -0.0070 3169 TYR 95 HD1 -0.0063 0.0032 -0.0080 3170 TYR 95 HD2 -0.0065 0.0078 -0.0055 3171 TYR 95 HE1 -0.0080 0.0051 -0.0088 3172 TYR 95 HE2 -0.0083 0.0096 -0.0064 3173 TYR 95 HH -0.0094 0.0077 -0.0088 3174 GLY 96 N -0.0036 0.0058 -0.0033 3175 GLY 96 CA -0.0034 0.0073 -0.0022 3176 GLY 96 C -0.0039 0.0078 -0.0024 3177 GLY 96 O -0.0038 0.0067 -0.0030 3178 GLY 96 H -0.0038 0.0049 -0.0040 3179 GLY 96 HA3 -0.0024 0.0071 -0.0011 3180 GLY 96 HA2 -0.0040 0.0084 -0.0021 3181 LYS 97 N -0.0041 0.0091 -0.0020 3182 LYS 97 CA -0.0037 0.0092 -0.0018 3183 LYS 97 C -0.0020 0.0091 -0.0008 3184 LYS 97 O -0.0013 0.0103 -0.0003 3185 LYS 97 CB -0.0044 0.0108 -0.0022 3186 LYS 97 CG -0.0050 0.0105 -0.0025 3187 LYS 97 CD -0.0053 0.0122 -0.0026 3188 LYS 97 CE -0.0039 0.0134 -0.0018 3189 LYS 97 NZ -0.0043 0.0152 -0.0020 3190 LYS 97 H -0.0042 0.0102 -0.0021 3191 LYS 97 HA -0.0042 0.0080 -0.0021 3192 LYS 97 HB3 -0.0036 0.0118 -0.0017 3193 LYS 97 HB2 -0.0054 0.0113 -0.0027 3194 LYS 97 HG3 -0.0061 0.0098 -0.0032 3195 LYS 97 HG2 -0.0042 0.0097 -0.0021 3196 LYS 97 HD3 -0.0063 0.0129 -0.0032 3197 LYS 97 HD2 -0.0055 0.0119 -0.0028 3198 LYS 97 HE3 -0.0030 0.0129 -0.0013 3199 LYS 97 HE2 -0.0036 0.0134 -0.0016 3200 LYS 97 HZ1 -0.0051 0.0157 -0.0024 3201 LYS 97 HZ2 -0.0034 0.0160 -0.0014 3202 LYS 97 HZ3 -0.0046 0.0152 -0.0021 3203 ILE 98 N -0.0015 0.0078 -0.0005 3204 ILE 98 CA 0.0002 0.0075 0.0004 3205 ILE 98 C 0.0007 0.0080 0.0007 3206 ILE 98 O 0.0004 0.0071 0.0005 3207 ILE 98 CB 0.0006 0.0056 0.0006 3208 ILE 98 CG1 -0.0001 0.0050 0.0002 3209 ILE 98 CG2 0.0023 0.0053 0.0016 3210 ILE 98 CD1 0.0005 0.0060 0.0006 3211 ILE 98 H -0.0022 0.0069 -0.0010 3212 ILE 98 HA 0.0007 0.0083 0.0008 3213 ILE 98 HB 0.0001 0.0048 0.0003 3214 ILE 98 HG13 0.0001 0.0036 0.0003 3215 ILE 98 HG12 -0.0013 0.0051 -0.0005 3216 ILE 98 HG21 0.0026 0.0040 0.0017 3217 ILE 98 HG22 0.0027 0.0057 0.0019 3218 ILE 98 HG23 0.0028 0.0062 0.0019 3219 ILE 98 HD11 -0.0000 0.0055 0.0003 3220 ILE 98 HD12 0.0017 0.0058 0.0013 3221 ILE 98 HD13 0.0003 0.0074 0.0005 3222 PRO 99 N 0.0010 0.0066 0.0027 3223 PRO 99 CA 0.0019 0.0056 0.0025 3224 PRO 99 C 0.0029 0.0046 0.0023 3225 PRO 99 O 0.0032 0.0048 0.0020 3226 PRO 99 CB 0.0027 0.0067 0.0016 3227 PRO 99 CG 0.0018 0.0082 0.0016 3228 PRO 99 CD 0.0011 0.0082 0.0021 3229 PRO 99 HA 0.0014 0.0051 0.0031 3230 PRO 99 HB3 0.0028 0.0064 0.0017 3231 PRO 99 HB2 0.0036 0.0067 0.0010 3232 PRO 99 HG3 0.0011 0.0083 0.0020 3233 PRO 99 HG2 0.0024 0.0090 0.0009 3234 PRO 99 HD2 0.0017 0.0084 0.0016 3235 PRO 99 HD3 0.0001 0.0088 0.0024 3236 GLY 100 N 0.0035 0.0033 0.0024 3237 GLY 100 CA 0.0046 0.0023 0.0022 3238 GLY 100 C 0.0042 0.0015 0.0027 3239 GLY 100 O 0.0050 0.0012 0.0023 3240 GLY 100 H 0.0032 0.0031 0.0027 3241 GLY 100 HA3 0.0054 0.0028 0.0014 3242 GLY 100 HA2 0.0050 0.0014 0.0022 3243 MET 101 N 0.0028 0.0035 0.0022 3244 MET 101 CA 0.0027 0.0033 0.0024 3245 MET 101 C 0.0027 0.0031 0.0025 3246 MET 101 O 0.0028 0.0029 0.0027 3247 MET 101 CB 0.0023 0.0034 0.0024 3248 MET 101 CG 0.0022 0.0035 0.0022 3249 MET 101 SD 0.0023 0.0034 0.0023 3250 MET 101 CE 0.0020 0.0032 0.0025 3251 MET 101 H 0.0027 0.0036 0.0022 3252 MET 101 HA 0.0028 0.0033 0.0024 3253 MET 101 HB3 0.0022 0.0032 0.0025 3254 MET 101 HB2 0.0022 0.0034 0.0023 3255 MET 101 HG3 0.0020 0.0036 0.0022 3256 MET 101 HG2 0.0023 0.0037 0.0021 3257 MET 101 HE1 0.0020 0.0031 0.0026 3258 MET 101 HE2 0.0018 0.0033 0.0025 3259 MET 101 HE3 0.0021 0.0031 0.0026 3260 VAL 102 N 0.0028 0.0031 0.0025 3261 VAL 102 CA 0.0028 0.0029 0.0027 3262 VAL 102 C 0.0031 0.0030 0.0026 3263 VAL 102 O 0.0032 0.0031 0.0025 3264 VAL 102 CB 0.0026 0.0029 0.0027 3265 VAL 102 CG1 0.0027 0.0027 0.0028 3266 VAL 102 CG2 0.0023 0.0029 0.0027 3267 VAL 102 H 0.0028 0.0033 0.0024 3268 VAL 102 HA 0.0028 0.0028 0.0028 3269 VAL 102 HB 0.0026 0.0031 0.0025 3270 VAL 102 HG11 0.0025 0.0027 0.0028 3271 VAL 102 HG12 0.0029 0.0028 0.0028 3272 VAL 102 HG13 0.0027 0.0026 0.0029 3273 VAL 102 HG21 0.0021 0.0029 0.0027 3274 VAL 102 HG22 0.0023 0.0027 0.0028 3275 VAL 102 HG23 0.0022 0.0031 0.0026 3276 VAL 103 N 0.0025 0.0041 0.0036 3277 VAL 103 CA 0.0019 0.0038 0.0035 3278 VAL 103 C 0.0012 0.0035 0.0036 3279 VAL 103 O 0.0012 0.0035 0.0031 3280 VAL 103 CB 0.0019 0.0037 0.0027 3281 VAL 103 CG1 0.0012 0.0033 0.0025 3282 VAL 103 CG2 0.0024 0.0039 0.0027 3283 VAL 103 H 0.0028 0.0042 0.0031 3284 VAL 103 HA 0.0018 0.0039 0.0039 3285 VAL 103 HB 0.0021 0.0037 0.0023 3286 VAL 103 HG11 0.0012 0.0033 0.0020 3287 VAL 103 HG12 0.0008 0.0032 0.0025 3288 VAL 103 HG13 0.0010 0.0033 0.0030 3289 VAL 103 HG21 0.0025 0.0038 0.0021 3290 VAL 103 HG22 0.0023 0.0039 0.0031 3291 VAL 103 HG23 0.0030 0.0042 0.0028 3292 ASP 104 N 0.0007 0.0034 0.0041 3293 ASP 104 CA 0.0001 0.0032 0.0042 3294 ASP 104 C -0.0005 0.0028 0.0038 3295 ASP 104 O -0.0010 0.0026 0.0035 3296 ASP 104 CB -0.0002 0.0032 0.0051 3297 ASP 104 CG 0.0004 0.0035 0.0056 3298 ASP 104 OD1 0.0008 0.0037 0.0053 3299 ASP 104 OD2 0.0004 0.0037 0.0062 3300 ASP 104 H 0.0008 0.0035 0.0044 3301 ASP 104 HA 0.0002 0.0032 0.0040 3302 ASP 104 HB3 -0.0006 0.0030 0.0051 3303 ASP 104 HB2 -0.0003 0.0032 0.0053 3304 ARG 105 N -0.0021 0.0045 0.0062 3305 ARG 105 CA -0.0030 0.0030 0.0052 3306 ARG 105 C -0.0018 0.0032 0.0037 3307 ARG 105 O -0.0006 0.0044 0.0039 3308 ARG 105 CB -0.0043 0.0026 0.0066 3309 ARG 105 CG -0.0053 0.0012 0.0058 3310 ARG 105 CD -0.0065 0.0010 0.0073 3311 ARG 105 NE -0.0071 0.0015 0.0091 3312 ARG 105 CZ -0.0076 0.0021 0.0108 3313 ARG 105 NH1 -0.0076 0.0023 0.0110 3314 ARG 105 NH2 -0.0082 0.0026 0.0124 3315 ARG 105 H -0.0010 0.0055 0.0063 3316 ARG 105 HA -0.0035 0.0021 0.0046 3317 ARG 105 HB3 -0.0038 0.0036 0.0075 3318 ARG 105 HB2 -0.0052 0.0025 0.0077 3319 ARG 105 HG3 -0.0059 0.0002 0.0050 3320 ARG 105 HG2 -0.0044 0.0014 0.0048 3321 ARG 105 HD3 -0.0076 -0.0002 0.0069 3322 ARG 105 HD2 -0.0060 0.0016 0.0076 3323 ARG 105 HE -0.0072 0.0014 0.0090 3324 ARG 105 HH12 -0.0079 0.0028 0.0123 3325 ARG 105 HH11 -0.0071 0.0020 0.0098 3326 ARG 105 HH22 -0.0086 0.0030 0.0137 3327 ARG 105 HH21 -0.0082 0.0025 0.0123 3328 CYS 106 N -0.0021 0.0019 0.0021 3329 CYS 106 CA -0.0012 0.0018 0.0004 3330 CYS 106 C -0.0022 0.0006 0.0001 3331 CYS 106 O -0.0037 -0.0006 0.0004 3332 CYS 106 CB -0.0005 0.0014 -0.0013 3333 CYS 106 SG 0.0010 0.0028 -0.0011 3334 CYS 106 H -0.0031 0.0009 0.0020 3335 CYS 106 HA -0.0002 0.0029 0.0007 3336 CYS 106 HB3 0.0001 0.0011 -0.0026 3337 CYS 106 HB2 -0.0015 0.0002 -0.0016 3338 GLY 107 N -0.0024 0.0006 -0.0029 3339 GLY 107 CA -0.0027 0.0007 -0.0028 3340 GLY 107 C -0.0029 0.0007 -0.0027 3341 GLY 107 O -0.0028 0.0006 -0.0027 3342 GLY 107 H -0.0023 0.0005 -0.0029 3343 GLY 107 HA3 -0.0027 0.0005 -0.0027 3344 GLY 107 HA2 -0.0027 0.0009 -0.0030 3345 CYS 108 N -0.0032 0.0007 -0.0027 3346 CYS 108 CA -0.0034 0.0007 -0.0025 3347 CYS 108 C -0.0036 0.0005 -0.0023 3348 CYS 108 O -0.0037 0.0004 -0.0022 3349 CYS 108 CB -0.0037 0.0010 -0.0026 3350 CYS 108 SG -0.0036 0.0013 -0.0029 3351 CYS 108 H -0.0033 0.0008 -0.0027 3352 CYS 108 HA -0.0034 0.0007 -0.0026 3353 CYS 108 HB3 -0.0039 0.0009 -0.0025 3354 CYS 108 HB2 -0.0038 0.0010 -0.0026 3355 SER 109 N -0.0022 0.0002 -0.0045 3356 SER 109 CA -0.0024 -0.0003 -0.0044 3357 SER 109 C -0.0029 -0.0003 -0.0039 3358 SER 109 O -0.0032 -0.0004 -0.0036 3359 SER 109 CB -0.0023 -0.0009 -0.0047 3360 SER 109 OG -0.0018 -0.0009 -0.0052 3361 SER 109 OXT -0.0031 -0.0003 -0.0037 3362 SER 109 H -0.0024 0.0002 -0.0043 3363 SER 109 HA -0.0022 -0.0001 -0.0046 3364 SER 109 HB3 -0.0024 -0.0013 -0.0047 3365 SER 109 HB2 -0.0025 -0.0011 -0.0046 3366 SER 109 HG -0.0017 -0.0006 -0.0052