1 ASP 28 N -0.0345 0.0006 0.0448 2 ASP 28 CA -0.0171 -0.0014 0.0314 3 ASP 28 C -0.0117 0.0096 0.0215 4 ASP 28 O -0.0159 0.0079 0.0258 5 ASP 28 CB -0.0073 -0.0223 0.0339 6 ASP 28 CG 0.0109 -0.0256 0.0206 7 ASP 28 OD1 0.0164 -0.0217 0.0141 8 ASP 28 OD2 0.0200 -0.0329 0.0168 9 ASP 28 H -0.0386 -0.0069 0.0519 10 ASP 28 HA -0.0152 0.0045 0.0270 11 ASP 28 HB2 -0.0112 -0.0298 0.0409 12 ASP 28 HB3 -0.0095 -0.0281 0.0387 13 PRO 29 N -0.0083 0.0292 -0.0066 14 PRO 29 CA -0.0041 0.0363 -0.0132 15 PRO 29 C 0.0136 0.0183 -0.0037 16 PRO 29 O 0.0352 0.0084 -0.0014 17 PRO 29 CB 0.0108 0.0566 -0.0327 18 PRO 29 CG 0.0064 0.0639 -0.0373 19 PRO 29 CD 0.0030 0.0434 -0.0205 20 PRO 29 HA -0.0234 0.0412 -0.0121 21 PRO 29 HB2 0.0321 0.0514 -0.0341 22 PRO 29 HB3 0.0023 0.0695 -0.0406 23 PRO 29 HG2 0.0239 0.0708 -0.0472 24 PRO 29 HG3 -0.0119 0.0761 -0.0422 25 PRO 29 HD2 0.0225 0.0354 -0.0193 26 PRO 29 HD3 -0.0113 0.0480 -0.0204 27 ASN 30 N 0.0138 -0.0001 0.0119 28 ASN 30 CA 0.0200 -0.0077 0.0152 29 ASN 30 C 0.0182 -0.0131 0.0147 30 ASN 30 O 0.0223 -0.0110 0.0165 31 ASN 30 CB 0.0294 -0.0036 0.0193 32 ASN 30 CG 0.0365 -0.0109 0.0230 33 ASN 30 OD1 0.0395 -0.0157 0.0246 34 ASN 30 ND2 0.0395 -0.0116 0.0244 35 ASN 30 H 0.0109 -0.0000 0.0106 36 ASN 30 HA 0.0191 -0.0128 0.0151 37 ASN 30 HB2 0.0303 -0.0008 0.0195 38 ASN 30 HB3 0.0296 0.0022 0.0190 39 ASN 30 HD21 0.0370 -0.0074 0.0230 40 ASN 30 HD22 0.0440 -0.0162 0.0267 41 ALA 31 N 0.0138 -0.0252 0.0125 42 ALA 31 CA 0.0122 -0.0302 0.0125 43 ALA 31 C 0.0101 -0.0309 0.0138 44 ALA 31 O 0.0065 -0.0303 0.0164 45 ALA 31 CB 0.0093 -0.0320 0.0141 46 ALA 31 H 0.0130 -0.0228 0.0137 47 ALA 31 HA 0.0147 -0.0323 0.0103 48 ALA 31 HB1 0.0082 -0.0358 0.0140 49 ALA 31 HB2 0.0067 -0.0300 0.0163 50 ALA 31 HB3 0.0108 -0.0316 0.0132 51 GLU 32 N 0.0154 -0.0325 0.0079 52 GLU 32 CA 0.0176 -0.0316 0.0061 53 GLU 32 C 0.0169 -0.0293 0.0042 54 GLU 32 O 0.0186 -0.0283 0.0026 55 GLU 32 CB 0.0180 -0.0318 0.0060 56 GLU 32 CG 0.0156 -0.0305 0.0060 57 GLU 32 CD 0.0162 -0.0307 0.0059 58 GLU 32 OE1 0.0172 -0.0293 0.0042 59 GLU 32 OE2 0.0157 -0.0322 0.0075 60 GLU 32 H 0.0141 -0.0325 0.0085 61 GLU 32 HA 0.0193 -0.0326 0.0062 62 GLU 32 HB2 0.0196 -0.0311 0.0047 63 GLU 32 HB3 0.0184 -0.0335 0.0074 64 GLU 32 HG2 0.0139 -0.0312 0.0074 65 GLU 32 HG3 0.0151 -0.0288 0.0047 66 PHE 33 N 0.0135 -0.0272 0.0051 67 PHE 33 CA 0.0120 -0.0289 0.0038 68 PHE 33 C 0.0107 -0.0326 0.0066 69 PHE 33 O 0.0107 -0.0340 0.0091 70 PHE 33 CB 0.0101 -0.0295 -0.0007 71 PHE 33 CG 0.0085 -0.0316 -0.0014 72 PHE 33 CD1 0.0064 -0.0354 -0.0006 73 PHE 33 CD2 0.0092 -0.0297 -0.0029 74 PHE 33 CE1 0.0050 -0.0373 -0.0012 75 PHE 33 CE2 0.0078 -0.0316 -0.0034 76 PHE 33 CZ 0.0057 -0.0354 -0.0026 77 PHE 33 H 0.0128 -0.0281 0.0045 78 PHE 33 HA 0.0132 -0.0270 0.0039 79 PHE 33 HB2 0.0088 -0.0311 -0.0016 80 PHE 33 HB3 0.0110 -0.0268 -0.0028 81 PHE 33 HD1 0.0058 -0.0369 0.0005 82 PHE 33 HD2 0.0108 -0.0267 -0.0035 83 PHE 33 HE1 0.0034 -0.0403 -0.0005 84 PHE 33 HE2 0.0084 -0.0301 -0.0046 85 PHE 33 HZ 0.0046 -0.0369 -0.0031 86 ASP 34 N 0.0143 -0.0288 0.0046 87 ASP 34 CA 0.0151 -0.0342 0.0070 88 ASP 34 C 0.0082 -0.0365 0.0039 89 ASP 34 O 0.0046 -0.0317 0.0002 90 ASP 34 CB 0.0206 -0.0309 0.0088 91 ASP 34 CG 0.0222 -0.0365 0.0117 92 ASP 34 OD1 0.0181 -0.0385 0.0102 93 ASP 34 OD2 0.0276 -0.0391 0.0157 94 ASP 34 H 0.0141 -0.0237 0.0026 95 ASP 34 HA 0.0166 -0.0390 0.0095 96 ASP 34 HB2 0.0253 -0.0286 0.0106 97 ASP 34 HB3 0.0188 -0.0265 0.0062 98 PRO 35 N 0.0049 -0.0488 0.0091 99 PRO 35 CA -0.0034 -0.0528 0.0051 100 PRO 35 C -0.0040 -0.0537 0.0051 101 PRO 35 O -0.0107 -0.0574 0.0019 102 PRO 35 CB -0.0055 -0.0624 0.0079 103 PRO 35 CG 0.0026 -0.0649 0.0148 104 PRO 35 CD 0.0091 -0.0560 0.0154 105 PRO 35 HA -0.0078 -0.0490 0.0002 106 PRO 35 HB2 -0.0100 -0.0671 0.0068 107 PRO 35 HB3 -0.0080 -0.0619 0.0059 108 PRO 35 HG2 0.0038 -0.0680 0.0170 109 PRO 35 HG3 0.0026 -0.0698 0.0170 110 PRO 35 HD2 0.0146 -0.0558 0.0192 111 PRO 35 HD3 0.0106 -0.0553 0.0162 112 ASP 36 N 0.0062 -0.0451 0.0051 113 ASP 36 CA 0.0066 -0.0434 0.0047 114 ASP 36 C 0.0068 -0.0335 0.0013 115 ASP 36 O 0.0032 -0.0307 -0.0012 116 ASP 36 CB 0.0148 -0.0468 0.0093 117 ASP 36 CG 0.0158 -0.0450 0.0091 118 ASP 36 OD1 0.0107 -0.0495 0.0086 119 ASP 36 OD2 0.0217 -0.0388 0.0094 120 ASP 36 H 0.0117 -0.0437 0.0069 121 ASP 36 HA 0.0007 -0.0471 0.0035 122 ASP 36 HB2 0.0142 -0.0541 0.0117 123 ASP 36 HB3 0.0207 -0.0436 0.0107 124 LEU 37 N 0.0104 -0.0230 -0.0010 125 LEU 37 CA 0.0112 -0.0163 -0.0029 126 LEU 37 C 0.0057 -0.0134 -0.0059 127 LEU 37 O 0.0035 -0.0152 -0.0061 128 LEU 37 CB 0.0172 -0.0134 -0.0015 129 LEU 37 CG 0.0233 -0.0141 0.0010 130 LEU 37 CD1 0.0233 -0.0113 0.0001 131 LEU 37 CD2 0.0247 -0.0209 0.0037 132 LEU 37 H 0.0118 -0.0251 0.0002 133 LEU 37 HA 0.0114 -0.0153 -0.0031 134 LEU 37 HB2 0.0174 -0.0155 -0.0008 135 LEU 37 HB3 0.0169 -0.0084 -0.0033 136 LEU 37 HG 0.0270 -0.0115 0.0015 137 LEU 37 HD11 0.0276 -0.0118 0.0019 138 LEU 37 HD12 0.0196 -0.0137 -0.0005 139 LEU 37 HD13 0.0227 -0.0064 -0.0017 140 LEU 37 HD21 0.0290 -0.0212 0.0054 141 LEU 37 HD22 0.0251 -0.0227 0.0045 142 LEU 37 HD23 0.0210 -0.0236 0.0032 143 PRO 38 N 0.0063 -0.0075 -0.0067 144 PRO 38 CA 0.0031 -0.0052 -0.0094 145 PRO 38 C 0.0037 -0.0018 -0.0098 146 PRO 38 O 0.0065 0.0007 -0.0084 147 PRO 38 CB 0.0028 -0.0030 -0.0102 148 PRO 38 CG 0.0048 -0.0055 -0.0082 149 PRO 38 CD 0.0078 -0.0070 -0.0057 150 PRO 38 HA 0.0007 -0.0074 -0.0106 151 PRO 38 HB2 0.0040 0.0003 -0.0101 152 PRO 38 HB3 -0.0000 -0.0032 -0.0121 153 PRO 38 HG2 0.0059 -0.0034 -0.0079 154 PRO 38 HG3 0.0030 -0.0082 -0.0088 155 PRO 38 HD2 0.0102 -0.0047 -0.0046 156 PRO 38 HD3 0.0084 -0.0101 -0.0046 157 GLY 39 N 0.0024 -0.0022 -0.0137 158 GLY 39 CA 0.0024 0.0015 -0.0142 159 GLY 39 C 0.0048 0.0005 -0.0120 160 GLY 39 O 0.0061 0.0038 -0.0114 161 GLY 39 H 0.0004 -0.0047 -0.0151 162 GLY 39 HA2 -0.0004 0.0017 -0.0166 163 GLY 39 HA3 0.0034 0.0048 -0.0139 164 GLY 40 N 0.0040 -0.0077 -0.0104 165 GLY 40 CA 0.0075 -0.0103 -0.0076 166 GLY 40 C 0.0132 -0.0080 -0.0046 167 GLY 40 O 0.0166 -0.0092 -0.0021 168 GLY 40 H 0.0021 -0.0103 -0.0109 169 GLY 40 HA2 0.0069 -0.0152 -0.0067 170 GLY 40 HA3 0.0065 -0.0091 -0.0085 171 GLY 41 N 0.0122 -0.0026 -0.0057 172 GLY 41 CA 0.0162 -0.0003 -0.0033 173 GLY 41 C 0.0165 0.0040 -0.0032 174 GLY 41 O 0.0199 0.0061 -0.0012 175 GLY 41 H 0.0102 -0.0022 -0.0069 176 GLY 41 HA2 0.0167 0.0010 -0.0030 177 GLY 41 HA3 0.0186 -0.0029 -0.0018 178 LEU 42 N 0.0158 0.0042 -0.0041 179 LEU 42 CA 0.0173 0.0082 -0.0047 180 LEU 42 C 0.0165 0.0143 -0.0073 181 LEU 42 O 0.0182 0.0183 -0.0078 182 LEU 42 CB 0.0138 0.0062 -0.0058 183 LEU 42 CG 0.0142 0.0001 -0.0035 184 LEU 42 CD1 0.0104 -0.0014 -0.0050 185 LEU 42 CD2 0.0199 -0.0006 -0.0004 186 LEU 42 H 0.0120 0.0025 -0.0055 187 LEU 42 HA 0.0214 0.0081 -0.0026 188 LEU 42 HB2 0.0097 0.0064 -0.0080 189 LEU 42 HB3 0.0149 0.0092 -0.0063 190 LEU 42 HG 0.0129 -0.0030 -0.0032 191 LEU 42 HD11 0.0107 -0.0056 -0.0033 192 LEU 42 HD12 0.0115 0.0017 -0.0055 193 LEU 42 HD13 0.0063 -0.0012 -0.0072 194 LEU 42 HD21 0.0213 0.0025 -0.0007 195 LEU 42 HD22 0.0200 -0.0048 0.0012 196 LEU 42 HD23 0.0225 0.0002 0.0007 197 HIS 43 N 0.0080 0.0149 -0.0084 198 HIS 43 CA 0.0073 0.0176 -0.0081 199 HIS 43 C 0.0095 0.0168 -0.0056 200 HIS 43 O 0.0099 0.0140 -0.0061 201 HIS 43 CB 0.0051 0.0173 -0.0113 202 HIS 43 CG 0.0028 0.0176 -0.0143 203 HIS 43 ND1 0.0012 0.0210 -0.0151 204 HIS 43 CD2 0.0020 0.0148 -0.0166 205 HIS 43 CE1 -0.0006 0.0204 -0.0178 206 HIS 43 NE2 -0.0002 0.0167 -0.0187 207 HIS 43 H 0.0086 0.0122 -0.0086 208 HIS 43 HA 0.0069 0.0205 -0.0075 209 HIS 43 HB2 0.0056 0.0146 -0.0118 210 HIS 43 HB3 0.0046 0.0196 -0.0111 211 HIS 43 HD1 0.0013 0.0236 -0.0138 212 HIS 43 HD2 0.0028 0.0118 -0.0167 213 HIS 43 HE1 -0.0022 0.0227 -0.0190 214 HIS 43 HE2 -0.0010 0.0155 -0.0204 215 ARG 44 N 0.0068 0.0163 -0.0035 216 ARG 44 CA 0.0089 0.0165 -0.0019 217 ARG 44 C 0.0094 0.0203 -0.0012 218 ARG 44 O 0.0090 0.0227 -0.0013 219 ARG 44 CB 0.0117 0.0152 0.0001 220 ARG 44 CG 0.0117 0.0119 -0.0002 221 ARG 44 CD 0.0146 0.0111 0.0019 222 ARG 44 NE 0.0147 0.0080 0.0018 223 ARG 44 CZ 0.0171 0.0066 0.0034 224 ARG 44 NH1 0.0196 0.0081 0.0054 225 ARG 44 NH2 0.0171 0.0037 0.0032 226 ARG 44 H 0.0069 0.0177 -0.0033 227 ARG 44 HA 0.0085 0.0149 -0.0023 228 ARG 44 HB2 0.0125 0.0173 0.0008 229 ARG 44 HB3 0.0132 0.0149 0.0012 230 ARG 44 HG2 0.0112 0.0098 -0.0007 231 ARG 44 HG3 0.0101 0.0122 -0.0013 232 ARG 44 HD2 0.0151 0.0133 0.0025 233 ARG 44 HD3 0.0161 0.0108 0.0030 234 ARG 44 HE 0.0129 0.0069 0.0003 235 ARG 44 HH11 0.0197 0.0103 0.0056 236 ARG 44 HH12 0.0214 0.0071 0.0066 237 ARG 44 HH21 0.0153 0.0024 0.0017 238 ARG 44 HH22 0.0189 0.0026 0.0044 239 CYS 45 N 0.0051 0.0183 0.0010 240 CYS 45 CA 0.0044 0.0187 0.0036 241 CYS 45 C 0.0047 0.0184 0.0052 242 CYS 45 O 0.0064 0.0169 0.0055 243 CYS 45 CB 0.0057 0.0176 0.0047 244 CYS 45 SG 0.0052 0.0179 0.0083 245 CYS 45 H 0.0065 0.0171 0.0003 246 CYS 45 HA 0.0029 0.0201 0.0036 247 CYS 45 HB2 0.0052 0.0181 0.0036 248 CYS 45 HB3 0.0072 0.0163 0.0043 249 LEU 46 N 0.0022 0.0193 0.0080 250 LEU 46 CA 0.0015 0.0192 0.0109 251 LEU 46 C 0.0010 0.0171 0.0122 252 LEU 46 O 0.0004 0.0156 0.0141 253 LEU 46 CB 0.0016 0.0221 0.0122 254 LEU 46 CG 0.0021 0.0244 0.0112 255 LEU 46 CD1 0.0022 0.0273 0.0124 256 LEU 46 CD2 0.0019 0.0238 0.0119 257 LEU 46 H 0.0026 0.0210 0.0072 258 LEU 46 HA 0.0014 0.0186 0.0114 259 LEU 46 HB2 0.0018 0.0227 0.0117 260 LEU 46 HB3 0.0011 0.0221 0.0144 261 LEU 46 HG 0.0026 0.0244 0.0090 262 LEU 46 HD11 0.0024 0.0278 0.0117 263 LEU 46 HD12 0.0025 0.0289 0.0117 264 LEU 46 HD13 0.0016 0.0272 0.0146 265 LEU 46 HD21 0.0019 0.0219 0.0109 266 LEU 46 HD22 0.0013 0.0236 0.0141 267 LEU 46 HD23 0.0022 0.0255 0.0113 268 ALA 47 N -0.0066 0.0188 0.0106 269 ALA 47 CA -0.0065 0.0170 0.0122 270 ALA 47 C -0.0049 0.0156 0.0118 271 ALA 47 O -0.0048 0.0142 0.0130 272 ALA 47 CB -0.0065 0.0163 0.0128 273 ALA 47 H -0.0065 0.0193 0.0101 274 ALA 47 HA -0.0077 0.0172 0.0132 275 ALA 47 HB1 -0.0065 0.0150 0.0140 276 ALA 47 HB2 -0.0053 0.0161 0.0118 277 ALA 47 HB3 -0.0076 0.0173 0.0131 278 CYS 48 N 0.0052 0.0156 0.0078 279 CYS 48 CA 0.0080 0.0141 0.0071 280 CYS 48 C 0.0092 0.0132 0.0046 281 CYS 48 O 0.0116 0.0120 0.0041 282 CYS 48 CB 0.0083 0.0139 0.0066 283 CYS 48 SG 0.0077 0.0146 0.0099 284 CYS 48 H 0.0037 0.0161 0.0063 285 CYS 48 HA 0.0093 0.0137 0.0092 286 CYS 48 HB2 0.0069 0.0144 0.0050 287 CYS 48 HB3 0.0105 0.0128 0.0062 288 ALA 49 N 0.0134 0.0127 0.0074 289 ALA 49 CA 0.0144 0.0116 0.0044 290 ALA 49 C 0.0157 0.0105 0.0019 291 ALA 49 O 0.0175 0.0093 -0.0003 292 ALA 49 CB 0.0169 0.0108 0.0053 293 ALA 49 H 0.0112 0.0137 0.0080 294 ALA 49 HA 0.0122 0.0122 0.0032 295 ALA 49 HB1 0.0190 0.0102 0.0065 296 ALA 49 HB2 0.0159 0.0116 0.0071 297 ALA 49 HB3 0.0175 0.0101 0.0031 298 ARG 50 N 0.0152 0.0129 0.0006 299 ARG 50 CA 0.0155 0.0119 -0.0011 300 ARG 50 C 0.0132 0.0121 -0.0032 301 ARG 50 O 0.0110 0.0133 -0.0027 302 ARG 50 CB 0.0160 0.0124 0.0003 303 ARG 50 CG 0.0184 0.0121 0.0023 304 ARG 50 CD 0.0187 0.0126 0.0037 305 ARG 50 NE 0.0210 0.0124 0.0057 306 ARG 50 CZ 0.0216 0.0128 0.0073 307 ARG 50 NH1 0.0202 0.0134 0.0071 308 ARG 50 NH2 0.0237 0.0126 0.0091 309 ARG 50 H 0.0140 0.0140 0.0018 310 ARG 50 HA 0.0171 0.0108 -0.0020 311 ARG 50 HB2 0.0144 0.0136 0.0013 312 ARG 50 HB3 0.0161 0.0117 -0.0011 313 ARG 50 HG2 0.0200 0.0109 0.0014 314 ARG 50 HG3 0.0183 0.0128 0.0037 315 ARG 50 HD2 0.0171 0.0138 0.0046 316 ARG 50 HD3 0.0188 0.0119 0.0023 317 ARG 50 HE 0.0221 0.0119 0.0058 318 ARG 50 HH11 0.0186 0.0136 0.0057 319 ARG 50 HH12 0.0206 0.0137 0.0082 320 ARG 50 HH21 0.0249 0.0122 0.0093 321 ARG 50 HH22 0.0242 0.0130 0.0103 322 TYR 51 N 0.0148 0.0085 -0.0037 323 TYR 51 CA 0.0128 0.0076 -0.0051 324 TYR 51 C 0.0096 0.0079 -0.0073 325 TYR 51 O 0.0089 0.0063 -0.0078 326 TYR 51 CB 0.0136 0.0037 -0.0046 327 TYR 51 CG 0.0168 0.0031 -0.0023 328 TYR 51 CD1 0.0190 0.0021 -0.0009 329 TYR 51 CD2 0.0177 0.0036 -0.0017 330 TYR 51 CE1 0.0219 0.0016 0.0012 331 TYR 51 CE2 0.0207 0.0031 0.0004 332 TYR 51 CZ 0.0228 0.0021 0.0018 333 TYR 51 OH 0.0257 0.0015 0.0039 334 TYR 51 H 0.0149 0.0066 -0.0036 335 TYR 51 HA 0.0132 0.0094 -0.0048 336 TYR 51 HB2 0.0131 0.0019 -0.0049 337 TYR 51 HB3 0.0121 0.0030 -0.0056 338 TYR 51 HD1 0.0183 0.0017 -0.0013 339 TYR 51 HD2 0.0161 0.0044 -0.0028 340 TYR 51 HE1 0.0235 0.0008 0.0023 341 TYR 51 HE2 0.0214 0.0034 0.0009 342 TYR 51 HH 0.0264 -0.0007 0.0043 343 PHE 52 N 0.0102 0.0103 -0.0091 344 PHE 52 CA 0.0090 0.0104 -0.0101 345 PHE 52 C 0.0074 0.0097 -0.0130 346 PHE 52 O 0.0062 0.0100 -0.0138 347 PHE 52 CB 0.0074 0.0127 -0.0084 348 PHE 52 CG 0.0088 0.0136 -0.0055 349 PHE 52 CD1 0.0093 0.0144 -0.0038 350 PHE 52 CD2 0.0097 0.0136 -0.0045 351 PHE 52 CE1 0.0106 0.0151 -0.0011 352 PHE 52 CE2 0.0111 0.0144 -0.0018 353 PHE 52 CZ 0.0115 0.0152 -0.0001 354 PHE 52 H 0.0091 0.0112 -0.0089 355 PHE 52 HA 0.0106 0.0095 -0.0099 356 PHE 52 HB2 0.0058 0.0137 -0.0086 357 PHE 52 HB3 0.0065 0.0128 -0.0093 358 PHE 52 HD1 0.0086 0.0144 -0.0045 359 PHE 52 HD2 0.0094 0.0130 -0.0059 360 PHE 52 HE1 0.0110 0.0158 0.0003 361 PHE 52 HE2 0.0117 0.0144 -0.0011 362 PHE 52 HZ 0.0126 0.0158 0.0020 363 ILE 53 N 0.0067 0.0045 -0.0136 364 ILE 53 CA 0.0058 0.0044 -0.0168 365 ILE 53 C 0.0039 0.0075 -0.0182 366 ILE 53 O 0.0031 0.0081 -0.0200 367 ILE 53 CB 0.0063 0.0021 -0.0194 368 ILE 53 CG1 0.0058 0.0030 -0.0195 369 ILE 53 CG2 0.0082 -0.0013 -0.0185 370 ILE 53 CD1 0.0061 0.0009 -0.0220 371 ILE 53 H 0.0073 0.0034 -0.0134 372 ILE 53 HA 0.0063 0.0035 -0.0166 373 ILE 53 HB 0.0055 0.0022 -0.0218 374 ILE 53 HG12 0.0065 0.0029 -0.0171 375 ILE 53 HG13 0.0044 0.0053 -0.0202 376 ILE 53 HG21 0.0089 -0.0014 -0.0160 377 ILE 53 HG22 0.0084 -0.0019 -0.0186 378 ILE 53 HG23 0.0084 -0.0028 -0.0203 379 ILE 53 HD11 0.0054 0.0010 -0.0245 380 ILE 53 HD12 0.0058 0.0016 -0.0220 381 ILE 53 HD13 0.0074 -0.0015 -0.0214 382 ASP 54 N 0.0058 0.0121 -0.0185 383 ASP 54 CA 0.0040 0.0150 -0.0198 384 ASP 54 C 0.0030 0.0169 -0.0168 385 ASP 54 O 0.0040 0.0157 -0.0144 386 ASP 54 CB 0.0040 0.0146 -0.0229 387 ASP 54 CG 0.0022 0.0175 -0.0246 388 ASP 54 OD1 0.0014 0.0186 -0.0268 389 ASP 54 OD2 0.0015 0.0188 -0.0237 390 ASP 54 H 0.0064 0.0112 -0.0166 391 ASP 54 HA 0.0033 0.0161 -0.0206 392 ASP 54 HB2 0.0047 0.0131 -0.0249 393 ASP 54 HB3 0.0047 0.0135 -0.0220 394 SER 55 N 0.0013 0.0204 -0.0172 395 SER 55 CA -0.0009 0.0217 -0.0137 396 SER 55 C -0.0001 0.0210 -0.0117 397 SER 55 O -0.0004 0.0210 -0.0080 398 SER 55 CB -0.0045 0.0244 -0.0151 399 SER 55 OG -0.0068 0.0259 -0.0119 400 SER 55 H 0.0003 0.0212 -0.0199 401 SER 55 HA -0.0006 0.0214 -0.0116 402 SER 55 HB2 -0.0050 0.0248 -0.0162 403 SER 55 HB3 -0.0049 0.0248 -0.0176 404 SER 55 HG -0.0072 0.0262 -0.0117 405 THR 56 N 0.0007 0.0192 -0.0133 406 THR 56 CA 0.0021 0.0182 -0.0098 407 THR 56 C 0.0058 0.0169 -0.0070 408 THR 56 O 0.0058 0.0161 -0.0029 409 THR 56 CB 0.0040 0.0182 -0.0120 410 THR 56 OG1 0.0007 0.0195 -0.0150 411 THR 56 CG2 0.0049 0.0173 -0.0084 412 THR 56 H 0.0012 0.0197 -0.0165 413 THR 56 HA -0.0007 0.0184 -0.0076 414 THR 56 HB 0.0070 0.0179 -0.0138 415 THR 56 HG1 0.0012 0.0199 -0.0178 416 THR 56 HG21 0.0063 0.0174 -0.0101 417 THR 56 HG22 0.0019 0.0177 -0.0065 418 THR 56 HG23 0.0074 0.0164 -0.0062 419 ASN 57 N 0.0049 0.0176 -0.0100 420 ASN 57 CA 0.0078 0.0159 -0.0079 421 ASN 57 C 0.0082 0.0169 -0.0043 422 ASN 57 O 0.0096 0.0167 -0.0015 423 ASN 57 CB 0.0101 0.0132 -0.0100 424 ASN 57 CG 0.0108 0.0116 -0.0125 425 ASN 57 OD1 0.0128 0.0103 -0.0115 426 ASN 57 ND2 0.0092 0.0118 -0.0159 427 ASN 57 H 0.0047 0.0170 -0.0122 428 ASN 57 HA 0.0081 0.0159 -0.0073 429 ASN 57 HB2 0.0092 0.0134 -0.0116 430 ASN 57 HB3 0.0120 0.0122 -0.0081 431 ASN 57 HD21 0.0077 0.0128 -0.0167 432 ASN 57 HD22 0.0097 0.0108 -0.0175 433 LEU 58 N 0.0062 0.0176 -0.0055 434 LEU 58 CA 0.0054 0.0180 -0.0034 435 LEU 58 C 0.0038 0.0189 -0.0008 436 LEU 58 O 0.0044 0.0186 0.0018 437 LEU 58 CB 0.0039 0.0188 -0.0050 438 LEU 58 CG 0.0025 0.0195 -0.0032 439 LEU 58 CD1 -0.0002 0.0209 -0.0021 440 LEU 58 CD2 0.0042 0.0187 -0.0007 441 LEU 58 H 0.0054 0.0180 -0.0075 442 LEU 58 HA 0.0072 0.0171 -0.0024 443 LEU 58 HB2 0.0053 0.0181 -0.0064 444 LEU 58 HB3 0.0024 0.0195 -0.0064 445 LEU 58 HG 0.0020 0.0198 -0.0045 446 LEU 58 HD11 -0.0011 0.0214 -0.0008 447 LEU 58 HD12 0.0001 0.0208 -0.0007 448 LEU 58 HD13 -0.0014 0.0215 -0.0040 449 LEU 58 HD21 0.0046 0.0185 0.0008 450 LEU 58 HD22 0.0032 0.0192 0.0005 451 LEU 58 HD23 0.0060 0.0177 -0.0015 452 LYS 59 N 0.0020 0.0181 -0.0019 453 LYS 59 CA -0.0006 0.0157 0.0026 454 LYS 59 C 0.0029 0.0153 0.0074 455 LYS 59 O 0.0016 0.0136 0.0109 456 LYS 59 CB -0.0039 0.0144 0.0029 457 LYS 59 CG -0.0012 0.0152 0.0033 458 LYS 59 CD -0.0048 0.0140 0.0031 459 LYS 59 CE -0.0078 0.0114 0.0075 460 LYS 59 NZ -0.0047 0.0109 0.0122 461 LYS 59 H 0.0019 0.0189 -0.0042 462 LYS 59 HA -0.0029 0.0149 0.0023 463 LYS 59 HB2 -0.0060 0.0125 0.0060 464 LYS 59 HB3 -0.0065 0.0146 -0.0005 465 LYS 59 HG2 0.0009 0.0170 0.0002 466 LYS 59 HG3 0.0011 0.0149 0.0067 467 LYS 59 HD2 -0.0074 0.0142 -0.0002 468 LYS 59 HD3 -0.0028 0.0148 0.0029 469 LYS 59 HE2 -0.0098 0.0106 0.0078 470 LYS 59 HE3 -0.0104 0.0106 0.0070 471 LYS 59 HZ1 -0.0029 0.0115 0.0122 472 LYS 59 HZ2 -0.0068 0.0091 0.0152 473 LYS 59 HZ3 -0.0020 0.0116 0.0130 474 THR 60 N 0.0043 0.0156 0.0067 475 THR 60 CA 0.0075 0.0156 0.0104 476 THR 60 C 0.0094 0.0159 0.0112 477 THR 60 O 0.0105 0.0155 0.0150 478 THR 60 CB 0.0112 0.0168 0.0095 479 THR 60 OG1 0.0094 0.0164 0.0089 480 THR 60 CG2 0.0146 0.0169 0.0133 481 THR 60 H 0.0048 0.0162 0.0040 482 THR 60 HA 0.0059 0.0146 0.0133 483 THR 60 HB 0.0126 0.0177 0.0066 484 THR 60 HG1 0.0078 0.0166 0.0060 485 THR 60 HG21 0.0172 0.0177 0.0126 486 THR 60 HG22 0.0131 0.0159 0.0163 487 THR 60 HG23 0.0160 0.0172 0.0138 488 HIS 61 N 0.0082 0.0170 0.0073 489 HIS 61 CA 0.0084 0.0168 0.0077 490 HIS 61 C 0.0065 0.0159 0.0093 491 HIS 61 O 0.0069 0.0153 0.0105 492 HIS 61 CB 0.0082 0.0178 0.0056 493 HIS 61 CG 0.0076 0.0176 0.0059 494 HIS 61 ND1 0.0090 0.0173 0.0068 495 HIS 61 CD2 0.0055 0.0176 0.0055 496 HIS 61 CE1 0.0078 0.0171 0.0069 497 HIS 61 NE2 0.0057 0.0173 0.0061 498 HIS 61 H 0.0078 0.0176 0.0058 499 HIS 61 HA 0.0101 0.0165 0.0085 500 HIS 61 HB2 0.0099 0.0182 0.0049 501 HIS 61 HB3 0.0070 0.0182 0.0045 502 HIS 61 HD1 0.0107 0.0171 0.0073 503 HIS 61 HD2 0.0039 0.0179 0.0047 504 HIS 61 HE1 0.0082 0.0168 0.0076 505 PHE 62 N 0.0047 0.0129 0.0103 506 PHE 62 CA 0.0030 0.0115 0.0111 507 PHE 62 C 0.0038 0.0099 0.0126 508 PHE 62 O 0.0026 0.0087 0.0135 509 PHE 62 CB 0.0011 0.0118 0.0106 510 PHE 62 CG 0.0003 0.0134 0.0091 511 PHE 62 CD1 -0.0003 0.0140 0.0085 512 PHE 62 CD2 0.0001 0.0144 0.0083 513 PHE 62 CE1 -0.0011 0.0155 0.0071 514 PHE 62 CE2 -0.0006 0.0159 0.0069 515 PHE 62 CZ -0.0012 0.0165 0.0063 516 PHE 62 H 0.0049 0.0135 0.0098 517 PHE 62 HA 0.0025 0.0115 0.0111 518 PHE 62 HB2 0.0014 0.0116 0.0109 519 PHE 62 HB3 -0.0002 0.0109 0.0112 520 PHE 62 HD1 -0.0002 0.0133 0.0091 521 PHE 62 HD2 0.0006 0.0139 0.0087 522 PHE 62 HE1 -0.0015 0.0159 0.0067 523 PHE 62 HE2 -0.0007 0.0166 0.0062 524 PHE 62 HZ -0.0017 0.0177 0.0051 525 ARG 63 N 0.0045 0.0105 0.0120 526 ARG 63 CA 0.0053 0.0092 0.0169 527 ARG 63 C 0.0064 0.0108 0.0171 528 ARG 63 O 0.0073 0.0102 0.0209 529 ARG 63 CB 0.0076 0.0106 0.0209 530 ARG 63 CG 0.0062 0.0083 0.0216 531 ARG 63 CD 0.0086 0.0098 0.0256 532 ARG 63 NE 0.0098 0.0092 0.0303 533 ARG 63 CZ 0.0115 0.0095 0.0346 534 ARG 63 NH1 0.0121 0.0103 0.0348 535 ARG 63 NH2 0.0126 0.0090 0.0387 536 ARG 63 H 0.0059 0.0128 0.0114 537 ARG 63 HA 0.0031 0.0057 0.0176 538 ARG 63 HB2 0.0096 0.0140 0.0200 539 ARG 63 HB3 0.0083 0.0099 0.0244 540 ARG 63 HG2 0.0042 0.0049 0.0227 541 ARG 63 HG3 0.0055 0.0089 0.0181 542 ARG 63 HD2 0.0075 0.0080 0.0260 543 ARG 63 HD3 0.0106 0.0132 0.0244 544 ARG 63 HE 0.0093 0.0085 0.0303 545 ARG 63 HH11 0.0113 0.0106 0.0318 546 ARG 63 HH12 0.0134 0.0106 0.0380 547 ARG 63 HH21 0.0121 0.0084 0.0386 548 ARG 63 HH22 0.0139 0.0093 0.0420 549 SER 64 N 0.0060 0.0097 0.0157 550 SER 64 CA 0.0045 0.0092 0.0144 551 SER 64 C 0.0021 0.0054 0.0129 552 SER 64 O -0.0002 0.0056 0.0106 553 SER 64 CB 0.0030 0.0129 0.0120 554 SER 64 OG 0.0050 0.0167 0.0131 555 SER 64 H 0.0053 0.0115 0.0146 556 SER 64 HA 0.0061 0.0089 0.0160 557 SER 64 HB2 0.0011 0.0129 0.0102 558 SER 64 HB3 0.0022 0.0129 0.0113 559 SER 64 HG 0.0064 0.0170 0.0144 560 LYS 65 N 0.0033 0.0006 0.0136 561 LYS 65 CA 0.0012 -0.0052 0.0111 562 LYS 65 C -0.0044 -0.0050 0.0067 563 LYS 65 O -0.0069 -0.0078 0.0043 564 LYS 65 CB 0.0039 -0.0112 0.0125 565 LYS 65 CG 0.0046 -0.0112 0.0131 566 LYS 65 CD -0.0002 -0.0110 0.0093 567 LYS 65 CE 0.0007 -0.0110 0.0100 568 LYS 65 NZ -0.0039 -0.0104 0.0063 569 LYS 65 H 0.0057 0.0005 0.0156 570 LYS 65 HA 0.0018 -0.0055 0.0116 571 LYS 65 HB2 0.0019 -0.0152 0.0104 572 LYS 65 HB3 0.0075 -0.0120 0.0153 573 LYS 65 HG2 0.0068 -0.0154 0.0143 574 LYS 65 HG3 0.0066 -0.0072 0.0152 575 LYS 65 HD2 -0.0025 -0.0068 0.0080 576 LYS 65 HD3 -0.0021 -0.0151 0.0072 577 LYS 65 HE2 0.0028 -0.0153 0.0111 578 LYS 65 HE3 0.0029 -0.0071 0.0123 579 LYS 65 HZ1 -0.0061 -0.0140 0.0041 580 LYS 65 HZ2 -0.0060 -0.0062 0.0053 581 LYS 65 HZ3 -0.0032 -0.0105 0.0069 582 ASP 66 N -0.0049 -0.0035 0.0041 583 ASP 66 CA -0.0119 -0.0029 -0.0016 584 ASP 66 C -0.0146 0.0012 -0.0011 585 ASP 66 O -0.0189 -0.0002 -0.0057 586 ASP 66 CB -0.0166 0.0010 -0.0029 587 ASP 66 CG -0.0236 0.0006 -0.0093 588 ASP 66 OD1 -0.0246 -0.0048 -0.0138 589 ASP 66 OD2 -0.0284 0.0056 -0.0099 590 ASP 66 H -0.0040 -0.0005 0.0069 591 ASP 66 HA -0.0118 -0.0085 -0.0054 592 ASP 66 HB2 -0.0141 -0.0014 -0.0024 593 ASP 66 HB3 -0.0172 0.0068 0.0006 594 HIS 67 N -0.0069 0.0047 0.0057 595 HIS 67 CA -0.0079 0.0069 0.0061 596 HIS 67 C -0.0076 0.0055 0.0057 597 HIS 67 O -0.0096 0.0058 0.0046 598 HIS 67 CB -0.0062 0.0094 0.0081 599 HIS 67 CG -0.0071 0.0119 0.0087 600 HIS 67 ND1 -0.0099 0.0129 0.0076 601 HIS 67 CD2 -0.0057 0.0140 0.0104 602 HIS 67 CE1 -0.0102 0.0156 0.0086 603 HIS 67 NE2 -0.0078 0.0164 0.0103 604 HIS 67 H -0.0053 0.0049 0.0067 605 HIS 67 HA -0.0101 0.0079 0.0053 606 HIS 67 HB2 -0.0064 0.0106 0.0086 607 HIS 67 HB3 -0.0040 0.0086 0.0090 608 HIS 67 HD1 -0.0115 0.0118 0.0062 609 HIS 67 HD2 -0.0034 0.0135 0.0115 610 HIS 67 HE1 -0.0122 0.0171 0.0081 611 LYS 68 N -0.0059 0.0029 0.0041 612 LYS 68 CA -0.0052 0.0010 0.0038 613 LYS 68 C -0.0061 -0.0009 0.0016 614 LYS 68 O -0.0064 -0.0020 0.0006 615 LYS 68 CB -0.0030 -0.0000 0.0056 616 LYS 68 CG -0.0021 0.0020 0.0078 617 LYS 68 CD 0.0001 0.0008 0.0096 618 LYS 68 CE 0.0007 -0.0006 0.0095 619 LYS 68 NZ 0.0028 -0.0016 0.0113 620 LYS 68 H -0.0050 0.0029 0.0051 621 LYS 68 HA -0.0057 0.0020 0.0038 622 LYS 68 HB2 -0.0026 -0.0011 0.0054 623 LYS 68 HB3 -0.0024 -0.0013 0.0055 624 LYS 68 HG2 -0.0026 0.0033 0.0080 625 LYS 68 HG3 -0.0027 0.0033 0.0079 626 LYS 68 HD2 0.0006 -0.0005 0.0094 627 LYS 68 HD3 0.0007 0.0023 0.0111 628 LYS 68 HE2 0.0001 0.0007 0.0095 629 LYS 68 HE3 0.0002 -0.0021 0.0080 630 LYS 68 HZ1 0.0035 -0.0029 0.0113 631 LYS 68 HZ2 0.0032 -0.0025 0.0112 632 LYS 68 HZ3 0.0033 -0.0001 0.0127 633 LYS 69 N -0.0069 -0.0081 -0.0036 634 LYS 69 CA -0.0109 -0.0132 -0.0106 635 LYS 69 C -0.0186 -0.0101 -0.0119 636 LYS 69 O -0.0201 -0.0132 -0.0157 637 LYS 69 CB -0.0132 -0.0153 -0.0138 638 LYS 69 CG -0.0195 -0.0190 -0.0207 639 LYS 69 CD -0.0215 -0.0197 -0.0225 640 LYS 69 CE -0.0282 -0.0229 -0.0291 641 LYS 69 NZ -0.0298 -0.0229 -0.0300 642 LYS 69 H -0.0061 -0.0070 -0.0022 643 LYS 69 HA -0.0066 -0.0178 -0.0124 644 LYS 69 HB2 -0.0077 -0.0187 -0.0139 645 LYS 69 HB3 -0.0156 -0.0106 -0.0108 646 LYS 69 HG2 -0.0249 -0.0157 -0.0206 647 LYS 69 HG3 -0.0170 -0.0241 -0.0241 648 LYS 69 HD2 -0.0159 -0.0229 -0.0224 649 LYS 69 HD3 -0.0233 -0.0145 -0.0187 650 LYS 69 HE2 -0.0338 -0.0199 -0.0295 651 LYS 69 HE3 -0.0261 -0.0282 -0.0329 652 LYS 69 HZ1 -0.0345 -0.0249 -0.0345 653 LYS 69 HZ2 -0.0315 -0.0178 -0.0263 654 LYS 69 HZ3 -0.0244 -0.0257 -0.0296 655 ARG 70 N -0.0188 -0.0080 -0.0090 656 ARG 70 CA -0.0273 -0.0044 -0.0089 657 ARG 70 C -0.0251 -0.0010 -0.0054 658 ARG 70 O -0.0302 -0.0008 -0.0069 659 ARG 70 CB -0.0329 0.0015 -0.0059 660 ARG 70 CG -0.0423 0.0049 -0.0063 661 ARG 70 CD -0.0478 -0.0010 -0.0131 662 ARG 70 NE -0.0567 0.0020 -0.0136 663 ARG 70 CZ -0.0612 -0.0018 -0.0183 664 ARG 70 NH1 -0.0577 -0.0089 -0.0229 665 ARG 70 NH2 -0.0693 0.0014 -0.0184 666 ARG 70 H -0.0170 -0.0057 -0.0065 667 ARG 70 HA -0.0310 -0.0087 -0.0137 668 ARG 70 HB2 -0.0335 -0.0007 -0.0079 669 ARG 70 HB3 -0.0291 0.0059 -0.0010 670 ARG 70 HG2 -0.0458 0.0090 -0.0042 671 ARG 70 HG3 -0.0415 0.0076 -0.0038 672 ARG 70 HD2 -0.0442 -0.0051 -0.0153 673 ARG 70 HD3 -0.0488 -0.0036 -0.0156 674 ARG 70 HE -0.0594 0.0072 -0.0103 675 ARG 70 HH11 -0.0516 -0.0116 -0.0232 676 ARG 70 HH12 -0.0609 -0.0118 -0.0265 677 ARG 70 HH21 -0.0721 0.0067 -0.0150 678 ARG 70 HH22 -0.0730 -0.0011 -0.0218 679 LEU 71 N -0.0166 0.0002 0.0009 680 LEU 71 CA -0.0147 0.0022 0.0032 681 LEU 71 C -0.0132 -0.0010 0.0009 682 LEU 71 O -0.0143 0.0000 0.0015 683 LEU 71 CB -0.0100 0.0040 0.0063 684 LEU 71 CG -0.0108 0.0073 0.0089 685 LEU 71 CD1 -0.0059 0.0090 0.0120 686 LEU 71 CD2 -0.0155 0.0108 0.0105 687 LEU 71 H -0.0144 -0.0002 0.0013 688 LEU 71 HA -0.0179 0.0047 0.0044 689 LEU 71 HB2 -0.0069 0.0014 0.0051 690 LEU 71 HB3 -0.0087 0.0054 0.0079 691 LEU 71 HG -0.0116 0.0058 0.0073 692 LEU 71 HD11 -0.0049 0.0105 0.0136 693 LEU 71 HD12 -0.0026 0.0065 0.0109 694 LEU 71 HD13 -0.0065 0.0112 0.0138 695 LEU 71 HD21 -0.0191 0.0096 0.0082 696 LEU 71 HD22 -0.0149 0.0123 0.0120 697 LEU 71 HD23 -0.0158 0.0130 0.0123 698 LYS 72 N -0.0120 -0.0073 -0.0050 699 LYS 72 CA -0.0080 -0.0091 -0.0086 700 LYS 72 C -0.0115 -0.0099 -0.0110 701 LYS 72 O -0.0090 -0.0101 -0.0112 702 LYS 72 CB -0.0055 -0.0114 -0.0135 703 LYS 72 CG -0.0011 -0.0135 -0.0175 704 LYS 72 CD 0.0014 -0.0156 -0.0220 705 LYS 72 CE 0.0058 -0.0176 -0.0259 706 LYS 72 NZ 0.0085 -0.0196 -0.0301 707 LYS 72 H -0.0129 -0.0077 -0.0061 708 LYS 72 HA -0.0041 -0.0084 -0.0059 709 LYS 72 HB2 -0.0031 -0.0109 -0.0117 710 LYS 72 HB3 -0.0095 -0.0122 -0.0161 711 LYS 72 HG2 -0.0036 -0.0142 -0.0197 712 LYS 72 HG3 0.0028 -0.0127 -0.0149 713 LYS 72 HD2 0.0038 -0.0149 -0.0198 714 LYS 72 HD3 -0.0025 -0.0163 -0.0245 715 LYS 72 HE2 0.0033 -0.0183 -0.0282 716 LYS 72 HE3 0.0095 -0.0168 -0.0233 717 LYS 72 HZ1 0.0050 -0.0204 -0.0327 718 LYS 72 HZ2 0.0110 -0.0189 -0.0280 719 LYS 72 HZ3 0.0115 -0.0210 -0.0328 720 GLN 73 N -0.0200 -0.0121 -0.0147 721 GLN 73 CA -0.0275 -0.0135 -0.0187 722 GLN 73 C -0.0314 -0.0087 -0.0138 723 GLN 73 O -0.0336 -0.0098 -0.0159 724 GLN 73 CB -0.0347 -0.0144 -0.0220 725 GLN 73 CG -0.0317 -0.0193 -0.0273 726 GLN 73 CD -0.0389 -0.0199 -0.0303 727 GLN 73 OE1 -0.0447 -0.0156 -0.0266 728 GLN 73 NE2 -0.0388 -0.0252 -0.0368 729 GLN 73 H -0.0206 -0.0113 -0.0138 730 GLN 73 HA -0.0250 -0.0175 -0.0229 731 GLN 73 HB2 -0.0370 -0.0104 -0.0178 732 GLN 73 HB3 -0.0402 -0.0152 -0.0248 733 GLN 73 HG2 -0.0298 -0.0233 -0.0318 734 GLN 73 HG3 -0.0260 -0.0186 -0.0247 735 GLN 73 HE21 -0.0341 -0.0283 -0.0394 736 GLN 73 HE22 -0.0433 -0.0258 -0.0390 737 LEU 74 N -0.0302 -0.0050 -0.0084 738 LEU 74 CA -0.0335 -0.0006 -0.0035 739 LEU 74 C -0.0279 0.0013 -0.0004 740 LEU 74 O -0.0302 0.0044 0.0031 741 LEU 74 CB -0.0364 0.0033 0.0008 742 LEU 74 CG -0.0409 0.0080 0.0060 743 LEU 74 CD1 -0.0480 0.0068 0.0036 744 LEU 74 CD2 -0.0431 0.0114 0.0099 745 LEU 74 H -0.0283 -0.0047 -0.0078 746 LEU 74 HA -0.0384 -0.0016 -0.0054 747 LEU 74 HB2 -0.0397 0.0016 -0.0016 748 LEU 74 HB3 -0.0312 0.0042 0.0027 749 LEU 74 HG -0.0373 0.0097 0.0087 750 LEU 74 HD11 -0.0511 0.0102 0.0073 751 LEU 74 HD12 -0.0516 0.0049 0.0008 752 LEU 74 HD13 -0.0463 0.0045 0.0010 753 LEU 74 HD21 -0.0466 0.0097 0.0073 754 LEU 74 HD22 -0.0463 0.0147 0.0135 755 LEU 74 HD23 -0.0380 0.0123 0.0118 756 SER 75 N -0.0210 -0.0009 -0.0012 757 SER 75 CA -0.0151 -0.0001 0.0012 758 SER 75 C -0.0127 0.0051 0.0077 759 SER 75 O -0.0094 0.0071 0.0109 760 SER 75 CB -0.0174 -0.0008 -0.0002 761 SER 75 OG -0.0116 -0.0003 0.0017 762 SER 75 H -0.0197 -0.0031 -0.0035 763 SER 75 HA -0.0102 -0.0029 -0.0009 764 SER 75 HB2 -0.0188 -0.0045 -0.0049 765 SER 75 HB3 -0.0222 0.0020 0.0019 766 SER 75 HG -0.0112 -0.0031 -0.0014 767 VAL 76 N -0.0143 0.0062 0.0099 768 VAL 76 CA -0.0123 0.0107 0.0142 769 VAL 76 C -0.0055 0.0106 0.0153 770 VAL 76 O -0.0035 0.0134 0.0181 771 VAL 76 CB -0.0136 0.0119 0.0150 772 VAL 76 CG1 -0.0114 0.0165 0.0194 773 VAL 76 CG2 -0.0204 0.0120 0.0139 774 VAL 76 H -0.0159 0.0042 0.0079 775 VAL 76 HA -0.0147 0.0133 0.0161 776 VAL 76 HB -0.0112 0.0091 0.0130 777 VAL 76 HG11 -0.0124 0.0172 0.0199 778 VAL 76 HG12 -0.0136 0.0192 0.0214 779 VAL 76 HG13 -0.0065 0.0162 0.0201 780 VAL 76 HG21 -0.0212 0.0128 0.0144 781 VAL 76 HG22 -0.0218 0.0087 0.0107 782 VAL 76 HG23 -0.0228 0.0147 0.0158 783 GLU 77 N -0.0014 0.0046 0.0131 784 GLU 77 CA 0.0040 0.0045 0.0132 785 GLU 77 C 0.0063 0.0021 0.0082 786 GLU 77 O 0.0053 0.0009 0.0056 787 GLU 77 CB 0.0047 0.0058 0.0160 788 GLU 77 CG 0.0012 0.0052 0.0146 789 GLU 77 CD 0.0023 0.0065 0.0173 790 GLU 77 OE1 0.0009 0.0085 0.0215 791 GLU 77 OE2 0.0047 0.0055 0.0152 792 GLU 77 H -0.0036 0.0034 0.0105 793 GLU 77 HA 0.0061 0.0053 0.0150 794 GLU 77 HB2 0.0087 0.0055 0.0154 795 GLU 77 HB3 0.0042 0.0076 0.0198 796 GLU 77 HG2 -0.0029 0.0056 0.0152 797 GLU 77 HG3 0.0017 0.0034 0.0108 798 PRO 78 N 0.0123 -0.0018 0.0066 799 PRO 78 CA 0.0161 -0.0053 0.0008 800 PRO 78 C 0.0221 -0.0057 0.0025 801 PRO 78 O 0.0264 -0.0043 0.0071 802 PRO 78 CB 0.0190 -0.0066 -0.0007 803 PRO 78 CG 0.0148 -0.0041 0.0029 804 PRO 78 CD 0.0130 -0.0009 0.0089 805 PRO 78 HA 0.0127 -0.0065 -0.0031 806 PRO 78 HB2 0.0245 -0.0069 0.0008 807 PRO 78 HB3 0.0182 -0.0089 -0.0059 808 PRO 78 HG2 0.0180 -0.0040 0.0043 809 PRO 78 HG3 0.0101 -0.0045 0.0000 810 PRO 78 HD2 0.0171 0.0002 0.0127 811 PRO 78 HD3 0.0080 0.0008 0.0104 812 TYR 79 N 0.0227 -0.0071 -0.0024 813 TYR 79 CA 0.0238 -0.0076 -0.0006 814 TYR 79 C 0.0194 -0.0073 0.0065 815 TYR 79 O 0.0218 -0.0088 0.0130 816 TYR 79 CB 0.0321 -0.0098 -0.0001 817 TYR 79 CG 0.0363 -0.0100 -0.0075 818 TYR 79 CD1 0.0398 -0.0106 -0.0094 819 TYR 79 CD2 0.0369 -0.0095 -0.0127 820 TYR 79 CE1 0.0436 -0.0108 -0.0162 821 TYR 79 CE2 0.0407 -0.0097 -0.0195 822 TYR 79 CZ 0.0440 -0.0103 -0.0213 823 TYR 79 OH 0.0478 -0.0104 -0.0281 824 TYR 79 H 0.0199 -0.0059 -0.0070 825 TYR 79 HA 0.0214 -0.0065 -0.0052 826 TYR 79 HB2 0.0347 -0.0110 0.0041 827 TYR 79 HB3 0.0324 -0.0101 0.0015 828 TYR 79 HD1 0.0394 -0.0110 -0.0054 829 TYR 79 HD2 0.0342 -0.0090 -0.0114 830 TYR 79 HE1 0.0462 -0.0113 -0.0175 831 TYR 79 HE2 0.0410 -0.0093 -0.0235 832 TYR 79 HH 0.0446 -0.0092 -0.0319 833 SER 80 N 0.0124 -0.0055 0.0049 834 SER 80 CA 0.0098 -0.0044 0.0084 835 SER 80 C 0.0093 -0.0045 0.0105 836 SER 80 O 0.0115 -0.0058 0.0096 837 SER 80 CB 0.0062 -0.0018 0.0068 838 SER 80 OG 0.0035 -0.0006 0.0101 839 SER 80 H 0.0117 -0.0045 0.0023 840 SER 80 HA 0.0106 -0.0054 0.0107 841 SER 80 HB2 0.0067 -0.0018 0.0051 842 SER 80 HB3 0.0053 -0.0008 0.0047 843 SER 80 HG 0.0041 -0.0012 0.0113 844 GLN 81 N -0.0010 -0.0042 0.0083 845 GLN 81 CA -0.0038 -0.0040 0.0107 846 GLN 81 C -0.0046 -0.0006 0.0118 847 GLN 81 O -0.0029 0.0019 0.0108 848 GLN 81 CB -0.0047 -0.0042 0.0114 849 GLN 81 CG -0.0077 -0.0045 0.0138 850 GLN 81 CD -0.0086 -0.0044 0.0146 851 GLN 81 OE1 -0.0073 -0.0028 0.0137 852 GLN 81 NE2 -0.0109 -0.0062 0.0161 853 GLN 81 H 0.0003 -0.0040 0.0073 854 GLN 81 HA -0.0049 -0.0061 0.0112 855 GLN 81 HB2 -0.0039 -0.0064 0.0104 856 GLN 81 HB3 -0.0039 -0.0019 0.0110 857 GLN 81 HG2 -0.0085 -0.0024 0.0148 858 GLN 81 HG3 -0.0085 -0.0070 0.0141 859 GLN 81 HE21 -0.0118 -0.0075 0.0167 860 GLN 81 HE22 -0.0115 -0.0062 0.0167 861 GLU 82 N -0.0054 -0.0038 0.0100 862 GLU 82 CA -0.0067 -0.0005 0.0111 863 GLU 82 C -0.0064 0.0028 0.0128 864 GLU 82 O -0.0074 0.0059 0.0139 865 GLU 82 CB -0.0047 -0.0006 0.0118 866 GLU 82 CG -0.0059 0.0025 0.0129 867 GLU 82 CD -0.0040 0.0021 0.0134 868 GLU 82 OE1 -0.0007 0.0026 0.0149 869 GLU 82 OE2 -0.0057 0.0012 0.0123 870 GLU 82 H -0.0074 -0.0049 0.0086 871 GLU 82 HA -0.0097 -0.0005 0.0099 872 GLU 82 HB2 -0.0052 -0.0030 0.0104 873 GLU 82 HB3 -0.0018 -0.0009 0.0128 874 GLU 82 HG2 -0.0053 0.0049 0.0143 875 GLU 82 HG3 -0.0089 0.0028 0.0119 876 GLU 83 N -0.0004 0.0008 0.0091 877 GLU 83 CA 0.0051 0.0005 0.0051 878 GLU 83 C 0.0094 -0.0048 0.0079 879 GLU 83 O 0.0110 -0.0056 0.0076 880 GLU 83 CB 0.0078 0.0022 0.0007 881 GLU 83 CG 0.0136 0.0020 -0.0037 882 GLU 83 CD 0.0157 0.0043 -0.0082 883 GLU 83 OE1 0.0180 0.0020 -0.0073 884 GLU 83 OE2 0.0150 0.0084 -0.0127 885 GLU 83 H -0.0003 -0.0015 0.0118 886 GLU 83 HA 0.0040 0.0028 0.0031 887 GLU 83 HB2 0.0047 0.0060 -0.0013 888 GLU 83 HB3 0.0086 0.0000 0.0028 889 GLU 83 HG2 0.0170 -0.0018 -0.0019 890 GLU 83 HG3 0.0130 0.0039 -0.0055 891 ALA 84 N 0.0107 -0.0052 0.0079 892 ALA 84 CA 0.0142 -0.0105 0.0106 893 ALA 84 C 0.0082 -0.0154 0.0149 894 ALA 84 O 0.0102 -0.0212 0.0182 895 ALA 84 CB 0.0214 -0.0141 0.0114 896 ALA 84 H 0.0105 -0.0061 0.0086 897 ALA 84 HA 0.0156 -0.0082 0.0088 898 ALA 84 HB1 0.0238 -0.0180 0.0134 899 ALA 84 HB2 0.0200 -0.0162 0.0130 900 ALA 84 HB3 0.0256 -0.0105 0.0083 901 GLU 85 N -0.0047 -0.0136 0.0127 902 GLU 85 CA -0.0118 -0.0174 0.0149 903 GLU 85 C -0.0176 -0.0110 0.0144 904 GLU 85 O -0.0178 -0.0090 0.0140 905 GLU 85 CB -0.0106 -0.0240 0.0162 906 GLU 85 CG -0.0173 -0.0296 0.0188 907 GLU 85 CD -0.0249 -0.0263 0.0194 908 GLU 85 OE1 -0.0255 -0.0267 0.0196 909 GLU 85 OE2 -0.0302 -0.0232 0.0196 910 GLU 85 H -0.0047 -0.0082 0.0114 911 GLU 85 HA -0.0137 -0.0197 0.0158 912 GLU 85 HB2 -0.0052 -0.0274 0.0161 913 GLU 85 HB3 -0.0099 -0.0214 0.0155 914 GLU 85 HG2 -0.0185 -0.0301 0.0191 915 GLU 85 HG3 -0.0152 -0.0351 0.0197 916 ARG 86 N -0.0229 -0.0068 0.0085 917 ARG 86 CA -0.0277 -0.0033 0.0050 918 ARG 86 C -0.0359 -0.0038 0.0004 919 ARG 86 O -0.0378 -0.0034 -0.0007 920 ARG 86 CB -0.0245 0.0058 0.0050 921 ARG 86 CG -0.0217 0.0119 0.0053 922 ARG 86 CD -0.0279 0.0139 0.0013 923 ARG 86 NE -0.0247 0.0191 0.0020 924 ARG 86 CZ -0.0283 0.0206 -0.0003 925 ARG 86 NH1 -0.0354 0.0178 -0.0039 926 ARG 86 NH2 -0.0247 0.0250 0.0008 927 ARG 86 H -0.0228 -0.0046 0.0082 928 ARG 86 HA -0.0276 -0.0073 0.0060 929 ARG 86 HB2 -0.0289 0.0087 0.0019 930 ARG 86 HB3 -0.0199 0.0053 0.0077 931 ARG 86 HG2 -0.0193 0.0177 0.0054 932 ARG 86 HG3 -0.0175 0.0090 0.0083 933 ARG 86 HD2 -0.0308 0.0081 0.0009 934 ARG 86 HD3 -0.0318 0.0174 -0.0017 935 ARG 86 HE -0.0194 0.0214 0.0046 936 ARG 86 HH11 -0.0385 0.0144 -0.0049 937 ARG 86 HH12 -0.0382 0.0189 -0.0057 938 ARG 86 HH21 -0.0193 0.0273 0.0034 939 ARG 86 HH22 -0.0271 0.0263 -0.0009 940 ALA 87 N -0.0467 0.0023 0.0006 941 ALA 87 CA -0.0555 0.0021 -0.0015 942 ALA 87 C -0.0572 0.0105 -0.0084 943 ALA 87 O -0.0653 0.0124 -0.0119 944 ALA 87 CB -0.0638 -0.0025 -0.0001 945 ALA 87 H -0.0471 0.0033 -0.0003 946 ALA 87 HA -0.0548 -0.0008 0.0009 947 ALA 87 HB1 -0.0644 0.0002 -0.0024 948 ALA 87 HB2 -0.0625 -0.0085 0.0048 949 ALA 87 HB3 -0.0704 -0.0026 -0.0018 950 ALA 88 N -0.0508 0.0102 -0.0135 951 ALA 88 CA -0.0505 0.0171 -0.0197 952 ALA 88 C -0.0452 0.0188 -0.0203 953 ALA 88 O -0.0372 0.0208 -0.0206 954 ALA 88 CB -0.0468 0.0211 -0.0226 955 ALA 88 H -0.0453 0.0082 -0.0108 956 ALA 88 HA -0.0572 0.0181 -0.0218 957 ALA 88 HB1 -0.0401 0.0202 -0.0206 958 ALA 88 HB2 -0.0508 0.0197 -0.0221 959 ALA 88 HB3 -0.0469 0.0263 -0.0273 960 GLY 89 N -0.0478 0.0122 -0.0270 961 GLY 89 CA -0.0382 0.0139 -0.0281 962 GLY 89 C -0.0304 0.0142 -0.0301 963 GLY 89 O -0.0304 0.0092 -0.0357 964 GLY 89 H -0.0488 0.0127 -0.0261 965 GLY 89 HA2 -0.0376 0.0099 -0.0326 966 GLY 89 HA3 -0.0372 0.0188 -0.0229 967 MET 90 N -0.0383 0.0131 -0.0344 968 MET 90 CA -0.0183 0.0157 -0.0295 969 MET 90 C -0.0133 -0.0049 -0.0192 970 MET 90 O -0.0038 -0.0170 -0.0112 971 MET 90 CB 0.0006 0.0266 -0.0284 972 MET 90 CG 0.0214 0.0342 -0.0253 973 MET 90 SD 0.0347 0.0142 -0.0128 974 MET 90 CE 0.0583 0.0289 -0.0119 975 MET 90 H -0.0502 0.0202 -0.0410 976 MET 90 HA -0.0212 0.0253 -0.0344 977 MET 90 HB2 -0.0048 0.0399 -0.0356 978 MET 90 HB3 0.0045 0.0161 -0.0227 979 MET 90 HG2 0.0175 0.0448 -0.0309 980 MET 90 HG3 0.0324 0.0425 -0.0255 981 MET 90 HE1 0.0538 0.0404 -0.0181 982 MET 90 HE2 0.0681 0.0188 -0.0047 983 MET 90 HE3 0.0672 0.0365 -0.0124 984 GLY 91 N -0.0029 -0.0085 -0.0228 985 GLY 91 CA 0.0022 -0.0249 -0.0170 986 GLY 91 C 0.0122 -0.0260 -0.0081 987 GLY 91 O 0.0105 -0.0351 -0.0088 988 GLY 91 H -0.0069 -0.0047 -0.0265 989 GLY 91 HA2 0.0063 -0.0271 -0.0132 990 GLY 91 HA3 -0.0054 -0.0345 -0.0227 991 SER 92 N 0.0093 -0.0302 0.0025 992 SER 92 CA 0.0135 -0.0299 0.0061 993 SER 92 C 0.0216 -0.0341 0.0162 994 SER 92 O 0.0288 -0.0296 0.0196 995 SER 92 CB 0.0170 -0.0186 0.0016 996 SER 92 OG 0.0093 -0.0149 -0.0078 997 SER 92 H 0.0133 -0.0257 0.0031 998 SER 92 HA 0.0080 -0.0350 0.0046 999 SER 92 HB2 0.0225 -0.0134 0.0032 1000 SER 92 HB3 0.0199 -0.0184 0.0041 1001 SER 92 HG 0.0041 -0.0200 -0.0090 1002 TYR 93 N 0.0298 -0.0541 0.0357 1003 TYR 93 CA 0.0178 -0.0459 0.0230 1004 TYR 93 C 0.0110 -0.0487 0.0194 1005 TYR 93 O 0.0182 -0.0531 0.0268 1006 TYR 93 CB 0.0244 -0.0269 0.0186 1007 TYR 93 CG 0.0129 -0.0168 0.0053 1008 TYR 93 CD1 0.0070 -0.0153 0.0003 1009 TYR 93 CD2 0.0080 -0.0089 -0.0022 1010 TYR 93 CE1 -0.0036 -0.0063 -0.0118 1011 TYR 93 CE2 -0.0026 0.0002 -0.0142 1012 TYR 93 CZ -0.0083 0.0014 -0.0190 1013 TYR 93 OH -0.0189 0.0104 -0.0310 1014 TYR 93 H 0.0387 -0.0496 0.0399 1015 TYR 93 HA 0.0096 -0.0513 0.0196 1016 TYR 93 HB2 0.0312 -0.0254 0.0228 1017 TYR 93 HB3 0.0316 -0.0215 0.0212 1018 TYR 93 HD1 0.0107 -0.0214 0.0060 1019 TYR 93 HD2 0.0125 -0.0099 0.0016 1020 TYR 93 HE1 -0.0081 -0.0054 -0.0155 1021 TYR 93 HE2 -0.0063 0.0063 -0.0199 1022 TYR 93 HH -0.0266 0.0065 -0.0348 1023 VAL 94 N 0.0021 -0.0484 0.0103 1024 VAL 94 CA -0.0085 -0.0462 -0.0035 1025 VAL 94 C 0.0028 -0.0182 -0.0022 1026 VAL 94 O 0.0035 0.0066 -0.0124 1027 VAL 94 CB -0.0317 -0.0496 -0.0302 1028 VAL 94 CG1 -0.0349 -0.0269 -0.0441 1029 VAL 94 CG2 -0.0422 -0.0485 -0.0435 1030 VAL 94 H -0.0050 -0.0488 0.0019 1031 VAL 94 HA -0.0074 -0.0644 0.0059 1032 VAL 94 HB -0.0388 -0.0709 -0.0293 1033 VAL 94 HG11 -0.0510 -0.0302 -0.0622 1034 VAL 94 HG12 -0.0274 -0.0052 -0.0447 1035 VAL 94 HG13 -0.0284 -0.0293 -0.0352 1036 VAL 94 HG21 -0.0349 -0.0278 -0.0438 1037 VAL 94 HG22 -0.0581 -0.0508 -0.0617 1038 VAL 94 HG23 -0.0412 -0.0662 -0.0343