============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 -5.519 -0.808 10.257 -99.200 -91.000 TYR 12 0.840 8.178 11.314 8.510 -99.200 -91.000 HIS 19 0.900 21.619 9.625 -14.509 -99.200 -91.000 PHE 21 1.000 19.446 4.742 -16.837 -99.200 -91.000 HIS 32 0.900 15.423 -1.018 -23.733 -99.200 -91.000 HIS 41 0.900 17.325 17.090 -5.783 -99.200 -91.000 PHE 51 1.000 2.991 9.870 -2.698 -99.200 -91.000 HIS 55 0.900 5.392 21.632 3.838 -99.200 -91.000 PHE 56 1.000 1.326 14.301 2.219 -99.200 -91.000 HIS 61 0.900 17.802 6.011 0.205 -99.200 -91.000 TYR 70 0.840 20.258 -7.281 -0.526 -99.200 -91.000 TYR 76 0.840 11.968 -0.880 4.796 -99.200 -91.000 HIS 81 0.900 7.349 3.242 12.710 -99.200 -91.000 PHE 87 1.000 6.397 4.030 6.842 -99.200 -91.000 HIS 94 0.900 12.650 -5.234 -6.253 -99.200 -91.000 TYR 101 0.840 28.423 -11.462 -10.181 -99.200 -91.000 TYR 111 0.840 10.263 -16.507 -3.738 -99.200 -91.000 PHE 117 1.000 8.886 -5.331 5.659 -99.200 -91.000 PHE 132 1.000 7.213 -3.296 -3.164 -99.200 -91.000 PHE 133 1.000 1.360 2.776 -5.618 -99.200 -91.000 TYR 142 0.840 17.710 -13.424 -27.658 -99.200 -91.000 TYR 157 0.840 23.280 0.888 -31.884 -99.200 -91.000 TYR 169 0.840 7.606 -10.142 -10.549 -99.200 -91.000 PHE 176 1.000 2.222 -7.861 3.569 -99.200 -91.000 TRP 187 1.040 -0.675 8.341 -22.521 -99.200 -91.000 TRP6 187 1.020 -2.205 10.064 -23.183 -99.200 -91.000 TYR 188 0.840 -2.137 -0.242 -21.035 -99.200 -91.000 PHE 218 1.000 -8.733 -6.799 -5.680 -99.200 -91.000 PHE 226 1.000 -1.147 6.015 3.071 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k7zA12 LYS 224 H -0.08 0.14 0.11 -0.55 8.42 8.03 2k7zA12 LYS 224 HA -0.03 -0.07 0.16 -0.75 4.32 3.62 2k7zA12 LYS 224 HB2 -0.03 -0.13 0.15 -0.04 1.87 1.82 2k7zA12 LYS 224 HB3 -0.03 -0.01 0.08 -0.04 1.79 1.79 2k7zA12 LYS 224 HG2 -0.08 0.03 -0.02 -0.04 1.46 1.35 2k7zA12 LYS 224 HG3 -0.05 0.05 -0.01 -0.04 1.46 1.40 2k7zA12 LYS 224 HD2 -0.04 -0.02 0.03 -0.04 1.69 1.62 2k7zA12 LYS 224 HD3 -0.05 -0.00 0.01 -0.04 1.68 1.59 2k7zA12 LYS 224 HE2 -0.03 -0.01 0.02 -0.04 2.99 2.93 2k7zA12 LYS 224 HE3 -0.03 -0.02 0.02 -0.04 2.99 2.92 2k7zA12 VAL 225 H -0.03 0.07 0.12 -0.55 8.24 7.85 2k7zA12 VAL 225 HA 0.02 0.16 0.61 -0.75 4.13 4.17 2k7zA12 VAL 225 HB -0.00 -0.07 0.14 -0.04 2.12 2.15 2k7zA12 VAL 225 HG13 -0.02 0.02 0.02 -0.04 0.97 0.95 2k7zA12 VAL 225 HG23 0.01 0.09 0.04 -0.04 0.95 1.05 2k7zA12 TYR 226 H 0.12 0.20 0.28 -0.55 8.29 8.35 2k7zA12 TYR 226 HA -0.05 0.15 0.61 -0.75 4.56 4.51 2k7zA12 TYR 226 HB2 -0.08 -0.01 0.20 -0.04 3.06 3.12 2k7zA12 TYR 226 HB3 -0.11 -0.00 0.04 -0.04 2.98 2.87 2k7zA12 TYR 226 HD2 -0.06 -0.05 0.06 -0.04 7.15 7.05 2k7zA12 TYR 226 HE2 -0.05 0.03 0.04 -0.04 6.85 6.82 2k7zA12 GLN 227 H 0.22 0.19 0.11 -0.55 8.47 8.44 2k7zA12 GLN 227 HA -0.01 0.15 0.90 -0.75 4.36 4.64 2k7zA12 GLN 227 HB2 -0.02 -0.03 0.09 -0.04 2.15 2.15 2k7zA12 GLN 227 HB3 -0.04 0.08 -0.05 -0.04 2.02 1.97 2k7zA12 GLN 227 HG2 0.04 -0.03 0.20 -0.04 2.40 2.57 2k7zA12 GLN 227 HG3 0.01 0.04 0.16 -0.04 2.39 2.55 2k7zA12 GLN 227 HE21 -0.19 -0.02 0.05 -0.04 6.97 6.77 2k7zA12 GLN 227 HE22 -0.11 0.00 0.02 -0.04 7.69 7.56 2k7zA12 MET 228 H -0.05 0.24 0.00 -0.55 8.47 8.12 2k7zA12 MET 228 HA -0.10 0.24 0.73 -0.75 4.52 4.63 2k7zA12 MET 228 HB2 -0.17 0.03 0.12 -0.04 2.15 2.09 2k7zA12 MET 228 HB3 -0.19 -0.02 0.23 -0.04 2.03 2.01 2k7zA12 MET 228 HG2 -0.58 0.02 0.09 -0.04 2.63 2.13 2k7zA12 MET 228 HG3 -0.30 0.03 0.07 -0.04 2.56 2.32 2k7zA12 MET 228 HE3 -0.29 0.01 0.05 -0.04 2.10 1.83 2k7zA12 LYS 229 H -0.03 0.15 -0.60 -0.55 8.42 7.39 2k7zA12 LYS 229 HA -0.02 0.04 0.62 -0.75 4.32 4.21 2k7zA12 LYS 229 HB2 -0.01 -0.00 0.04 -0.04 1.87 1.86 2k7zA12 LYS 229 HB3 -0.02 -0.01 0.05 -0.04 1.79 1.77 2k7zA12 LYS 229 HG2 -0.02 0.04 -0.03 -0.04 1.46 1.42 2k7zA12 LYS 229 HG3 -0.02 0.05 -0.17 -0.04 1.46 1.28 2k7zA12 LYS 229 HD2 -0.02 0.02 -0.02 -0.04 1.69 1.64 2k7zA12 LYS 229 HD3 -0.01 -0.01 -0.02 -0.04 1.68 1.60 2k7zA12 LYS 229 HE2 -0.02 -0.07 -0.00 -0.04 2.99 2.85 2k7zA12 LYS 229 HE3 -0.02 0.02 0.01 -0.04 2.99 2.95 2k7zA12 SER 230 H -0.01 0.10 0.15 -0.55 8.46 8.16 2k7zA12 SER 230 HA -0.01 0.02 0.32 -0.75 4.49 4.07 2k7zA12 SER 230 HB2 -0.01 0.13 -0.10 -0.04 3.95 3.93 2k7zA12 SER 230 HB3 -0.01 -0.00 0.19 -0.04 3.93 4.06 2k7zA12 LYS 231 H -0.04 0.04 -0.43 -0.55 8.42 7.44 2k7zA12 LYS 231 HA -0.06 0.11 0.48 -0.75 4.32 4.09 2k7zA12 LYS 231 HB2 -0.08 0.05 0.06 -0.04 1.87 1.86 2k7zA12 LYS 231 HB3 -0.10 0.04 0.03 -0.04 1.79 1.72 2k7zA12 LYS 231 HG2 -0.08 0.14 -0.29 -0.04 1.46 1.19 2k7zA12 LYS 231 HG3 -0.15 -0.14 0.07 -0.04 1.46 1.20 2k7zA12 LYS 231 HD2 -0.18 -0.11 -0.01 -0.04 1.69 1.36 2k7zA12 LYS 231 HD3 -0.10 0.01 -0.05 -0.04 1.68 1.49 2k7zA12 LYS 231 HE2 -0.13 -0.12 0.09 -0.04 2.99 2.79 2k7zA12 LYS 231 HE3 -0.14 -0.06 0.12 -0.04 2.99 2.87 2k7zA12 PRO 232 HA 0.05 0.13 0.55 -0.51 4.44 4.66 2k7zA12 PRO 232 HB2 0.20 -0.13 -0.01 -0.04 2.28 2.29 2k7zA12 PRO 232 HB3 -0.09 0.07 0.08 -0.04 2.02 2.04 2k7zA12 PRO 232 HG2 -0.07 0.04 -0.18 -0.04 2.03 1.78 2k7zA12 PRO 232 HG3 -0.18 0.04 -0.03 -0.04 2.03 1.81 2k7zA12 PRO 232 HD2 -0.10 0.09 0.11 -0.04 3.68 3.74 2k7zA12 PRO 232 HD3 -0.08 0.17 0.11 -0.04 3.65 3.81 2k7zA12 ARG 233 H 0.22 0.10 0.11 -0.55 8.46 8.34 2k7zA12 ARG 233 HA -0.00 0.11 0.30 -0.75 4.34 4.00 2k7zA12 ARG 233 HB2 0.14 -0.33 0.26 -0.04 1.90 1.93 2k7zA12 ARG 233 HB3 0.40 0.22 0.01 -0.04 1.80 2.39 2k7zA12 ARG 233 HG2 0.20 -0.09 0.16 -0.04 1.67 1.90 2k7zA12 ARG 233 HG3 0.17 0.15 0.12 -0.04 1.67 2.07 2k7zA12 ARG 233 HD2 0.11 -0.05 -0.01 -0.04 3.22 3.23 2k7zA12 ARG 233 HD3 0.10 0.00 0.04 -0.04 3.22 3.31 2k7zA12 GLY 234 H 0.19 -0.01 -0.08 -0.55 8.43 7.98 2k7zA12 GLY 234 HA2 -0.14 0.14 0.32 -0.51 4.01 3.82 2k7zA12 GLY 234 HA3 -0.11 0.05 0.36 -0.51 4.01 3.80 2k7zA12 TYR 235 H -0.01 0.19 0.21 -0.55 8.29 8.13 2k7zA12 TYR 235 HA 0.09 0.00 0.17 -0.75 4.56 4.07 2k7zA12 TYR 235 HB2 0.09 0.13 -0.04 -0.04 3.06 3.20 2k7zA12 TYR 235 HB3 0.26 0.02 0.15 -0.04 2.98 3.37 2k7zA12 TYR 235 HD2 0.05 -0.07 -0.13 -0.04 7.15 6.95 2k7zA12 TYR 235 HE2 0.05 -0.04 0.04 -0.04 6.85 6.86 2k7zA12 CYS 236 H 0.00 0.13 -0.25 -0.55 8.50 7.84 2k7zA12 CYS 236 HA 0.08 0.02 0.39 -0.75 4.58 4.32 2k7zA12 CYS 236 HB2 -0.30 -0.01 -0.01 -0.04 2.97 2.61 2k7zA12 CYS 236 HB3 -0.34 0.07 0.01 -0.04 2.97 2.66 2k7zA12 LEU 237 H -0.03 0.43 0.25 -0.55 8.37 8.47 2k7zA12 LEU 237 HA 0.07 0.09 0.86 -0.75 4.35 4.61 2k7zA12 LEU 237 HB2 -0.05 0.03 0.12 -0.04 1.64 1.70 2k7zA12 LEU 237 HB3 0.02 -0.03 -0.03 -0.04 1.64 1.56 2k7zA12 LEU 237 HG 0.07 -0.01 -0.06 -0.04 1.64 1.60 2k7zA12 LEU 237 HD13 0.14 0.02 -0.04 -0.04 0.93 1.01 2k7zA12 LEU 237 HD23 0.06 0.06 -0.11 -0.04 0.89 0.86 2k7zA12 ILE 238 H 0.07 0.38 0.20 -0.55 8.25 8.36 2k7zA12 ILE 238 HA 0.03 0.25 0.91 -0.75 4.18 4.63 2k7zA12 ILE 238 HB 0.06 -0.07 -0.10 -0.04 1.89 1.74 2k7zA12 ILE 238 HG12 0.02 0.10 -0.15 -0.04 1.49 1.42 2k7zA12 ILE 238 HG13 -0.03 -0.09 -0.67 -0.04 1.21 0.38 2k7zA12 ILE 238 HG23 0.07 -0.01 -0.15 -0.04 0.93 0.81 2k7zA12 ILE 238 HD13 0.09 -0.02 -0.30 -0.04 0.88 0.61 2k7zA12 ILE 239 H 0.07 0.51 0.26 -0.55 8.25 8.54 2k7zA12 ILE 239 HA 0.12 0.27 1.10 -0.75 4.18 4.92 2k7zA12 ILE 239 HB 0.07 -0.08 0.14 -0.04 1.89 1.98 2k7zA12 ILE 239 HG12 0.01 -0.03 -0.06 -0.04 1.49 1.38 2k7zA12 ILE 239 HG13 0.09 0.10 -0.09 -0.04 1.21 1.28 2k7zA12 ILE 239 HG23 0.09 0.03 0.00 -0.04 0.93 1.02 2k7zA12 ILE 239 HD13 0.02 0.02 -0.25 -0.04 0.88 0.63 2k7zA12 ASN 240 H 0.10 0.80 0.37 -0.55 8.53 9.25 2k7zA12 ASN 240 HA 0.11 0.17 0.83 -0.75 4.76 5.11 2k7zA12 ASN 240 HB2 0.07 0.02 -0.06 -0.04 2.88 2.87 2k7zA12 ASN 240 HB3 0.07 -0.00 -0.01 -0.04 2.79 2.81 2k7zA12 ASN 240 HD21 0.02 0.04 -0.03 -0.04 7.03 7.02 2k7zA12 ASN 240 HD22 0.03 -0.05 -0.13 -0.04 7.74 7.56 2k7zA12 ASN 241 H 0.15 0.32 0.22 -0.55 8.53 8.68 2k7zA12 ASN 241 HA 0.09 -0.04 0.74 -0.75 4.76 4.79 2k7zA12 ASN 241 HB2 0.16 0.01 -0.00 -0.04 2.88 3.01 2k7zA12 ASN 241 HB3 0.13 0.13 0.01 -0.04 2.79 3.01 2k7zA12 ASN 241 HD21 0.14 0.04 -0.23 -0.04 7.03 6.94 2k7zA12 ASN 241 HD22 0.15 0.02 -0.02 -0.04 7.74 7.85 2k7zA12 HIS 242 H 0.01 -0.02 0.19 -0.55 8.41 8.05 2k7zA12 HIS 242 HA -0.34 0.28 0.88 -0.75 4.63 4.69 2k7zA12 HIS 242 HB2 -0.07 -0.04 -0.11 -0.04 3.26 3.00 2k7zA12 HIS 242 HB3 -0.15 -0.03 0.06 -0.04 3.20 3.03 2k7zA12 HIS 242 HD2 -0.07 0.01 -0.00 -0.04 6.97 6.86 2k7zA12 HIS 242 HE1 -0.00 0.07 0.07 -0.04 7.75 7.84 2k7zA12 ASN 243 H -0.23 -0.06 0.17 -0.55 8.53 7.86 2k7zA12 ASN 243 HA -0.48 0.12 0.61 -0.75 4.76 4.26 2k7zA12 ASN 243 HB2 -0.11 -0.00 0.14 -0.04 2.88 2.87 2k7zA12 ASN 243 HB3 -0.14 -0.06 0.07 -0.04 2.79 2.62 2k7zA12 ASN 243 HD21 -0.16 0.01 0.04 -0.04 7.03 6.88 2k7zA12 ASN 243 HD22 -0.11 0.08 0.02 -0.04 7.74 7.69 2k7zA12 PHE 244 H -0.31 0.26 0.21 -0.55 8.34 7.95 2k7zA12 PHE 244 HA -0.03 0.16 0.71 -0.75 4.62 4.71 2k7zA12 PHE 244 HB2 -0.05 0.03 0.04 -0.04 3.15 3.13 2k7zA12 PHE 244 HB3 -0.05 0.04 0.05 -0.04 3.06 3.06 2k7zA12 PHE 244 HD2 -0.00 -0.01 -0.18 -0.04 7.28 7.04 2k7zA12 PHE 244 HE2 0.09 -0.03 -0.19 -0.04 7.38 7.22 2k7zA12 PHE 244 HZ 0.12 0.07 0.05 -0.04 7.32 7.52 2k7zA12 ALA 245 H -0.02 0.06 -0.04 -0.55 8.40 7.86 2k7zA12 ALA 245 HA -0.00 0.22 0.46 -0.75 4.34 4.26 2k7zA12 ALA 245 HB3 -0.03 0.02 0.13 -0.04 1.41 1.48 2k7zA12 LYS 246 H 0.00 0.02 -0.06 -0.55 8.42 7.82 2k7zA12 LYS 246 HA -0.01 0.29 0.74 -0.75 4.32 4.59 2k7zA12 LYS 246 HB2 -0.01 -0.37 0.19 -0.04 1.87 1.64 2k7zA12 LYS 246 HB3 -0.03 0.18 0.22 -0.04 1.79 2.11 2k7zA12 LYS 246 HG2 -0.02 -0.03 -0.01 -0.04 1.46 1.36 2k7zA12 LYS 246 HG3 -0.03 -0.08 0.08 -0.04 1.46 1.39 2k7zA12 LYS 246 HD2 -0.05 0.07 0.02 -0.04 1.69 1.68 2k7zA12 LYS 246 HD3 -0.03 0.11 -0.02 -0.04 1.68 1.69 2k7zA12 LYS 246 HE2 -0.03 0.09 -0.04 -0.04 2.99 2.98 2k7zA12 LYS 246 HE3 -0.03 -0.06 -0.12 -0.04 2.99 2.74 2k7zA12 ALA 247 H 0.04 0.22 -0.74 -0.55 8.40 7.39 2k7zA12 ALA 247 HA 0.04 0.13 0.69 -0.75 4.34 4.44 2k7zA12 ALA 247 HB3 0.12 0.03 -0.06 -0.04 1.41 1.46 2k7zA12 ARG 248 H 0.01 0.14 -0.12 -0.55 8.46 7.93 2k7zA12 ARG 248 HA -0.07 0.13 0.19 -0.75 4.34 3.83 2k7zA12 ARG 248 HB2 -0.02 0.13 0.16 -0.04 1.90 2.13 2k7zA12 ARG 248 HB3 -0.02 -0.05 0.01 -0.04 1.80 1.70 2k7zA12 ARG 248 HG2 -0.04 -0.01 -0.05 -0.04 1.67 1.53 2k7zA12 ARG 248 HG3 -0.05 0.03 0.07 -0.04 1.67 1.67 2k7zA12 ARG 248 HD2 -0.07 -0.06 -0.01 -0.04 3.22 3.04 2k7zA12 ARG 248 HD3 -0.03 0.00 0.06 -0.04 3.22 3.21 2k7zA12 GLU 249 H 0.01 -0.09 -0.31 -0.55 8.60 7.66 2k7zA12 GLU 249 HA 0.07 0.20 0.61 -0.75 4.29 4.42 2k7zA12 GLU 249 HB2 0.02 -0.07 -0.12 -0.04 2.09 1.88 2k7zA12 GLU 249 HB3 0.03 0.07 -0.14 -0.04 1.99 1.92 2k7zA12 GLU 249 HG2 0.06 -0.02 0.06 -0.04 2.34 2.40 2k7zA12 GLU 249 HG3 0.04 0.09 -0.08 -0.04 2.34 2.35 2k7zA12 LYS 250 H 0.01 -0.09 -0.21 -0.55 8.42 7.57 2k7zA12 LYS 250 HA 0.00 0.08 0.36 -0.75 4.32 4.02 2k7zA12 LYS 250 HB2 0.01 -0.02 0.12 -0.04 1.87 1.93 2k7zA12 LYS 250 HB3 0.00 0.02 0.07 -0.04 1.79 1.84 2k7zA12 LYS 250 HG2 -0.02 -0.15 -0.01 -0.04 1.46 1.24 2k7zA12 LYS 250 HG3 -0.02 0.10 0.11 -0.04 1.46 1.60 2k7zA12 LYS 250 HD2 -0.02 -0.04 0.07 -0.04 1.69 1.66 2k7zA12 LYS 250 HD3 -0.05 -0.02 0.01 -0.04 1.68 1.58 2k7zA12 LYS 250 HE2 -0.03 0.03 0.12 -0.04 2.99 3.08 2k7zA12 LYS 250 HE3 -0.05 -0.21 0.14 -0.04 2.99 2.83 2k7zA12 VAL 251 H 0.03 0.24 -0.53 -0.55 8.24 7.44 2k7zA12 VAL 251 HA 0.02 0.18 0.68 -0.75 4.13 4.27 2k7zA12 VAL 251 HB 0.04 -0.08 -0.01 -0.04 2.12 2.03 2k7zA12 VAL 251 HG13 0.03 0.05 -0.20 -0.04 0.97 0.80 2k7zA12 VAL 251 HG23 0.04 0.01 0.00 -0.04 0.95 0.96 2k7zA12 PRO 252 HA 0.23 0.16 0.21 -0.51 4.44 4.53 2k7zA12 PRO 252 HB2 -0.04 0.01 -0.04 -0.04 2.28 2.18 2k7zA12 PRO 252 HB3 0.03 0.05 0.05 -0.04 2.02 2.11 2k7zA12 PRO 252 HG2 0.01 0.04 -0.18 -0.04 2.03 1.86 2k7zA12 PRO 252 HG3 0.02 0.04 -0.13 -0.04 2.03 1.92 2k7zA12 PRO 252 HD2 0.02 0.12 0.04 -0.04 3.68 3.82 2k7zA12 PRO 252 HD3 0.04 0.37 -0.14 -0.04 3.65 3.88 2k7zA12 LYS 253 H 0.06 0.10 -0.74 -0.55 8.42 7.29 2k7zA12 LYS 253 HA 0.05 0.15 0.53 -0.75 4.32 4.30 2k7zA12 LYS 253 HB2 0.05 -0.20 0.21 -0.04 1.87 1.89 2k7zA12 LYS 253 HB3 0.03 0.04 0.09 -0.04 1.79 1.92 2k7zA12 LYS 253 HG2 0.02 0.10 0.02 -0.04 1.46 1.56 2k7zA12 LYS 253 HG3 0.04 -0.01 -0.14 -0.04 1.46 1.31 2k7zA12 LYS 253 HD2 0.06 0.01 -0.12 -0.04 1.69 1.60 2k7zA12 LYS 253 HD3 0.06 -0.10 0.06 -0.04 1.68 1.65 2k7zA12 LYS 253 HE2 -0.00 -0.02 0.11 -0.04 2.99 3.04 2k7zA12 LYS 253 HE3 0.01 -0.06 0.04 -0.04 2.99 2.95 2k7zA12 LEU 254 H 0.12 0.57 -0.28 -0.55 8.37 8.23 2k7zA12 LEU 254 HA -0.02 0.11 0.63 -0.75 4.35 4.32 2k7zA12 LEU 254 HB2 -0.03 0.27 0.07 -0.04 1.64 1.90 2k7zA12 LEU 254 HB3 -0.18 -0.03 0.09 -0.04 1.64 1.47 2k7zA12 LEU 254 HG 0.05 -0.03 -0.07 -0.04 1.64 1.54 2k7zA12 LEU 254 HD13 0.04 -0.00 -0.07 -0.04 0.93 0.86 2k7zA12 LEU 254 HD23 0.05 -0.00 -0.31 -0.04 0.89 0.58 2k7zA12 HIS 255 H 0.20 0.14 -0.43 -0.55 8.41 7.78 2k7zA12 HIS 255 HA -0.09 0.19 0.70 -0.75 4.63 4.68 2k7zA12 HIS 255 HB2 -0.02 0.03 0.11 -0.04 3.26 3.34 2k7zA12 HIS 255 HB3 -0.02 0.03 0.08 -0.04 3.20 3.25 2k7zA12 HIS 255 HD2 -0.03 -0.18 -0.25 -0.04 6.97 6.46 2k7zA12 HIS 255 HE1 -0.01 -0.04 -0.19 -0.04 7.75 7.46 2k7zA12 SER 256 H 0.08 0.13 -0.05 -0.55 8.46 8.08 2k7zA12 SER 256 HA 0.04 0.14 0.43 -0.75 4.49 4.34 2k7zA12 SER 256 HB2 0.05 0.03 0.05 -0.04 3.95 4.04 2k7zA12 SER 256 HB3 0.06 0.00 0.15 -0.04 3.93 4.10 2k7zA12 ILE 257 H -0.05 0.12 -0.89 -0.55 8.25 6.89 2k7zA12 ILE 257 HA 0.00 0.14 0.48 -0.75 4.18 4.05 2k7zA12 ILE 257 HB -0.00 -0.03 0.10 -0.04 1.89 1.92 2k7zA12 ILE 257 HG12 -0.16 -0.08 -0.04 -0.04 1.49 1.16 2k7zA12 ILE 257 HG13 -0.28 0.17 -0.32 -0.04 1.21 0.73 2k7zA12 ILE 257 HG23 0.02 0.01 -0.09 -0.04 0.93 0.83 2k7zA12 ILE 257 HD13 -0.45 -0.04 -0.04 -0.04 0.88 0.32 2k7zA12 ARG 258 H -0.02 0.23 -0.67 -0.55 8.46 7.45 2k7zA12 ARG 258 HA -0.05 0.05 0.26 -0.75 4.34 3.85 2k7zA12 ARG 258 HB2 -0.01 0.17 0.08 -0.04 1.90 2.09 2k7zA12 ARG 258 HB3 0.01 0.00 0.13 -0.04 1.80 1.90 2k7zA12 ARG 258 HG2 0.02 -0.05 0.03 -0.04 1.67 1.63 2k7zA12 ARG 258 HG3 0.03 -0.07 -0.13 -0.04 1.67 1.47 2k7zA12 ARG 258 HD2 0.01 0.04 -0.01 -0.04 3.22 3.22 2k7zA12 ARG 258 HD3 0.02 0.03 0.02 -0.04 3.22 3.24 2k7zA12 ASP 259 H 0.08 0.48 0.39 -0.55 8.40 8.80 2k7zA12 ASP 259 HA 0.04 0.11 0.55 -0.75 4.63 4.58 2k7zA12 ASP 259 HB2 0.21 0.07 0.22 -0.04 2.71 3.18 2k7zA12 ASP 259 HB3 0.05 -0.12 0.03 -0.04 2.70 2.62 2k7zA12 ARG 260 H 0.06 0.39 -0.11 -0.55 8.46 8.25 2k7zA12 ARG 260 HA 0.12 0.07 0.44 -0.75 4.34 4.21 2k7zA12 ARG 260 HB2 0.05 0.01 0.08 -0.04 1.90 2.00 2k7zA12 ARG 260 HB3 0.06 0.05 0.07 -0.04 1.80 1.94 2k7zA12 ARG 260 HG2 0.02 -0.02 0.08 -0.04 1.67 1.71 2k7zA12 ARG 260 HG3 0.02 0.01 -0.12 -0.04 1.67 1.53 2k7zA12 ARG 260 HD2 0.02 -0.01 -0.01 -0.04 3.22 3.18 2k7zA12 ARG 260 HD3 0.03 0.03 0.02 -0.04 3.22 3.26 2k7zA12 ASN 261 H 0.00 0.04 -0.55 -0.55 8.53 7.48 2k7zA12 ASN 261 HA -0.05 0.20 0.66 -0.75 4.76 4.81 2k7zA12 ASN 261 HB2 -0.06 -0.01 0.06 -0.04 2.88 2.82 2k7zA12 ASN 261 HB3 -0.03 0.06 -0.03 -0.04 2.79 2.76 2k7zA12 ASN 261 HD21 -0.00 0.00 -0.04 -0.04 7.03 6.94 2k7zA12 ASN 261 HD22 -0.01 0.06 0.01 -0.04 7.74 7.76 2k7zA12 GLY 262 H -0.21 0.31 -0.35 -0.55 8.43 7.64 2k7zA12 GLY 262 HA2 -0.30 -0.02 0.45 -0.51 4.01 3.62 2k7zA12 GLY 262 HA3 -1.16 0.03 0.35 -0.51 4.01 2.72 2k7zA12 THR 263 H -0.13 0.27 0.39 -0.55 8.28 8.26 2k7zA12 THR 263 HA -0.07 0.10 0.40 -0.75 4.39 4.07 2k7zA12 THR 263 HB -0.12 0.26 -0.01 -0.04 4.32 4.41 2k7zA12 THR 263 HG23 -0.16 -0.00 -0.25 -0.04 1.22 0.77 2k7zA12 HIS 264 H -0.01 0.24 0.13 -0.55 8.41 8.23 2k7zA12 HIS 264 HA -0.01 0.05 0.41 -0.75 4.63 4.33 2k7zA12 HIS 264 HB2 -0.02 0.08 0.07 -0.04 3.26 3.35 2k7zA12 HIS 264 HB3 -0.02 0.05 0.12 -0.04 3.20 3.30 2k7zA12 HIS 264 HD2 -0.02 0.04 -0.26 -0.04 6.97 6.67 2k7zA12 HIS 264 HE1 -0.02 0.04 0.00 -0.04 7.75 7.72 2k7zA12 LEU 265 H -0.56 0.01 -0.37 -0.55 8.37 6.91 2k7zA12 LEU 265 HA -0.11 0.14 0.46 -0.75 4.35 4.10 2k7zA12 LEU 265 HB2 -0.27 -0.05 -0.02 -0.04 1.64 1.26 2k7zA12 LEU 265 HB3 -0.13 0.06 -0.00 -0.04 1.64 1.52 2k7zA12 LEU 265 HG -0.42 -0.06 -0.04 -0.04 1.64 1.09 2k7zA12 LEU 265 HD13 -0.11 0.01 -0.02 -0.04 0.93 0.77 2k7zA12 LEU 265 HD23 -0.04 0.02 0.00 -0.04 0.89 0.83 2k7zA12 ASP 266 H -0.10 0.32 -0.42 -0.55 8.40 7.66 2k7zA12 ASP 266 HA -0.04 0.19 0.79 -0.75 4.63 4.82 2k7zA12 ASP 266 HB2 -0.06 0.13 0.10 -0.04 2.71 2.85 2k7zA12 ASP 266 HB3 -0.05 0.02 0.32 -0.04 2.70 2.94 2k7zA12 ALA 267 H -0.01 0.30 0.16 -0.55 8.40 8.31 2k7zA12 ALA 267 HA 0.03 0.07 0.29 -0.75 4.34 3.97 2k7zA12 ALA 267 HB3 0.04 0.03 0.04 -0.04 1.41 1.49 2k7zA12 GLY 268 H 0.01 0.06 -0.35 -0.55 8.43 7.61 2k7zA12 GLY 268 HA2 0.00 0.07 0.21 -0.51 4.01 3.78 2k7zA12 GLY 268 HA3 0.02 0.07 0.31 -0.51 4.01 3.91 2k7zA12 ALA 269 H -0.00 0.53 -0.38 -0.55 8.40 8.00 2k7zA12 ALA 269 HA -0.02 0.01 0.24 -0.75 4.34 3.82 2k7zA12 ALA 269 HB3 -0.04 0.04 0.02 -0.04 1.41 1.39 2k7zA12 LEU 270 H 0.03 0.52 -0.40 -0.55 8.37 7.97 2k7zA12 LEU 270 HA 0.06 0.09 0.37 -0.75 4.35 4.11 2k7zA12 LEU 270 HB2 0.08 -0.04 0.07 -0.04 1.64 1.70 2k7zA12 LEU 270 HB3 0.09 -0.01 0.00 -0.04 1.64 1.68 2k7zA12 LEU 270 HG 0.03 0.07 -0.01 -0.04 1.64 1.68 2k7zA12 LEU 270 HD13 0.06 -0.03 -0.12 -0.04 0.93 0.81 2k7zA12 LEU 270 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.81 2k7zA12 THR 271 H 0.07 0.17 -0.06 -0.55 8.28 7.91 2k7zA12 THR 271 HA 0.18 0.13 0.50 -0.75 4.39 4.45 2k7zA12 THR 271 HB 0.06 0.03 0.01 -0.04 4.32 4.38 2k7zA12 THR 271 HG23 0.07 0.01 -0.13 -0.04 1.22 1.12 2k7zA12 THR 272 H 0.03 0.12 -0.19 -0.55 8.28 7.69 2k7zA12 THR 272 HA 0.00 0.03 0.21 -0.75 4.39 3.87 2k7zA12 THR 272 HB -0.01 0.04 0.04 -0.04 4.32 4.35 2k7zA12 THR 272 HG23 -0.04 0.04 -0.09 -0.04 1.22 1.09 2k7zA12 THR 273 H -0.01 0.21 -0.72 -0.55 8.28 7.21 2k7zA12 THR 273 HA -0.16 0.06 0.36 -0.75 4.39 3.89 2k7zA12 THR 273 HB -0.19 0.12 0.01 -0.04 4.32 4.22 2k7zA12 THR 273 HG23 -0.58 -0.01 -0.10 -0.04 1.22 0.49 2k7zA12 PHE 274 H 0.17 0.32 -0.14 -0.55 8.34 8.13 2k7zA12 PHE 274 HA -0.02 0.16 0.66 -0.75 4.62 4.67 2k7zA12 PHE 274 HB2 0.08 0.04 0.03 -0.04 3.15 3.25 2k7zA12 PHE 274 HB3 0.24 -0.05 -0.02 -0.04 3.06 3.19 2k7zA12 PHE 274 HD2 0.19 0.10 0.03 -0.04 7.28 7.55 2k7zA12 PHE 274 HE2 -0.00 0.01 -0.04 -0.04 7.38 7.31 2k7zA12 PHE 274 HZ 0.08 -0.03 -0.07 -0.04 7.32 7.25 2k7zA12 GLU 275 H 0.09 0.55 -0.08 -0.55 8.60 8.61 2k7zA12 GLU 275 HA 0.01 0.13 0.33 -0.75 4.29 4.01 2k7zA12 GLU 275 HB2 0.01 -0.02 -0.07 -0.04 2.09 1.97 2k7zA12 GLU 275 HB3 -0.03 0.01 -0.11 -0.04 1.99 1.82 2k7zA12 GLU 275 HG2 -0.00 0.03 -0.04 -0.04 2.34 2.29 2k7zA12 GLU 275 HG3 0.04 -0.02 -0.12 -0.04 2.34 2.21 2k7zA12 GLU 276 H -0.08 0.59 -0.13 -0.55 8.60 8.43 2k7zA12 GLU 276 HA -0.10 0.00 0.36 -0.75 4.29 3.80 2k7zA12 GLU 276 HB2 -0.09 -0.04 0.09 -0.04 2.09 2.01 2k7zA12 GLU 276 HB3 -0.08 -0.02 0.11 -0.04 1.99 1.96 2k7zA12 GLU 276 HG2 -0.11 0.01 0.06 -0.04 2.34 2.26 2k7zA12 GLU 276 HG3 -0.16 0.05 -0.04 -0.04 2.34 2.14 2k7zA12 LEU 277 H -0.26 0.16 -0.74 -0.55 8.37 6.98 2k7zA12 LEU 277 HA -0.32 0.12 0.49 -0.75 4.35 3.88 2k7zA12 LEU 277 HB2 -0.93 0.09 0.11 -0.04 1.64 0.87 2k7zA12 LEU 277 HB3 -2.28 -0.06 0.09 -0.04 1.64 -0.65 2k7zA12 LEU 277 HG -0.29 -0.02 -0.04 -0.04 1.64 1.25 2k7zA12 LEU 277 HD13 -0.16 0.02 0.07 -0.04 0.93 0.81 2k7zA12 LEU 277 HD23 -0.16 0.01 0.02 -0.04 0.89 0.73 2k7zA12 HIS 278 H -0.15 0.49 -0.44 -0.55 8.41 7.76 2k7zA12 HIS 278 HA -0.02 0.03 0.26 -0.75 4.63 4.15 2k7zA12 HIS 278 HB2 -0.04 0.07 -0.34 -0.04 3.26 2.91 2k7zA12 HIS 278 HB3 0.08 -0.05 0.19 -0.04 3.20 3.38 2k7zA12 HIS 278 HD2 0.03 -0.07 0.07 -0.04 6.97 6.96 2k7zA12 HIS 278 HE1 0.00 -0.03 -0.00 -0.04 7.75 7.67 2k7zA12 PHE 279 H -0.03 0.37 -0.29 -0.55 8.34 7.84 2k7zA12 PHE 279 HA 0.06 -0.09 0.44 -0.75 4.62 4.28 2k7zA12 PHE 279 HB2 0.16 0.05 -0.08 -0.04 3.15 3.24 2k7zA12 PHE 279 HB3 0.09 -0.16 -0.21 -0.04 3.06 2.74 2k7zA12 PHE 279 HD2 0.25 -0.11 -0.22 -0.04 7.28 7.16 2k7zA12 PHE 279 HE2 0.12 -0.06 -0.04 -0.04 7.38 7.36 2k7zA12 PHE 279 HZ 0.10 0.06 -0.32 -0.04 7.32 7.12 2k7zA12 GLU 280 H -0.02 -0.01 0.17 -0.55 8.60 8.19 2k7zA12 GLU 280 HA -0.11 0.13 0.51 -0.75 4.29 4.07 2k7zA12 GLU 280 HB2 -0.70 0.04 0.19 -0.04 2.09 1.58 2k7zA12 GLU 280 HB3 -1.08 -0.15 0.17 -0.04 1.99 0.90 2k7zA12 GLU 280 HG2 -0.26 0.05 0.06 -0.04 2.34 2.15 2k7zA12 GLU 280 HG3 -0.74 0.01 0.02 -0.04 2.34 1.59 2k7zA12 ILE 281 H -0.05 0.28 0.20 -0.55 8.25 8.13 2k7zA12 ILE 281 HA 0.01 0.27 0.55 -0.75 4.18 4.26 2k7zA12 ILE 281 HB 0.03 -0.01 -0.05 -0.04 1.89 1.82 2k7zA12 ILE 281 HG12 0.05 -0.03 -0.16 -0.04 1.49 1.31 2k7zA12 ILE 281 HG13 0.07 0.10 -0.59 -0.04 1.21 0.74 2k7zA12 ILE 281 HG23 0.04 -0.02 -0.27 -0.04 0.93 0.63 2k7zA12 ILE 281 HD13 0.15 0.02 -0.30 -0.04 0.88 0.71 2k7zA12 LYS 282 H 0.05 0.49 0.09 -0.55 8.42 8.50 2k7zA12 LYS 282 HA -0.03 0.18 0.78 -0.75 4.32 4.49 2k7zA12 LYS 282 HB2 0.15 -0.01 0.22 -0.04 1.87 2.19 2k7zA12 LYS 282 HB3 0.13 -0.01 0.08 -0.04 1.79 1.94 2k7zA12 LYS 282 HG2 0.09 0.01 -0.22 -0.04 1.46 1.31 2k7zA12 LYS 282 HG3 0.13 0.02 -0.05 -0.04 1.46 1.52 2k7zA12 LYS 282 HD2 -0.01 0.10 -0.19 -0.04 1.69 1.56 2k7zA12 LYS 282 HD3 0.06 -0.01 -0.11 -0.04 1.68 1.57 2k7zA12 LYS 282 HE2 0.08 -0.00 -0.04 -0.04 2.99 2.99 2k7zA12 LYS 282 HE3 -0.07 -0.01 -0.03 -0.04 2.99 2.84 2k7zA12 PRO 283 HA 0.05 0.15 0.47 -0.51 4.44 4.61 2k7zA12 PRO 283 HB2 0.04 -0.08 0.07 -0.04 2.28 2.26 2k7zA12 PRO 283 HB3 0.04 0.00 0.02 -0.04 2.02 2.05 2k7zA12 PRO 283 HG2 -0.06 -0.01 0.13 -0.04 2.03 2.05 2k7zA12 PRO 283 HG3 -0.01 0.04 0.04 -0.04 2.03 2.06 2k7zA12 PRO 283 HD2 -0.06 0.16 0.18 -0.04 3.68 3.92 2k7zA12 PRO 283 HD3 -0.01 0.12 -0.28 -0.04 3.65 3.44 2k7zA12 HIS 284 H 0.15 0.76 0.46 -0.55 8.41 9.24 2k7zA12 HIS 284 HA 0.02 0.07 0.73 -0.75 4.63 4.71 2k7zA12 HIS 284 HB2 0.03 0.10 0.28 -0.04 3.26 3.63 2k7zA12 HIS 284 HB3 0.03 -0.05 0.06 -0.04 3.20 3.20 2k7zA12 HIS 284 HD2 0.03 0.15 0.04 -0.04 6.97 7.15 2k7zA12 HIS 284 HE1 -0.00 0.01 -0.04 -0.04 7.75 7.68 2k7zA12 ASP 285 H 0.04 0.28 0.17 -0.55 8.40 8.35 2k7zA12 ASP 285 HA 0.08 0.26 0.74 -0.75 4.63 4.96 2k7zA12 ASP 285 HB2 0.05 0.04 -0.13 -0.04 2.71 2.63 2k7zA12 ASP 285 HB3 0.04 0.07 -0.05 -0.04 2.70 2.72 2k7zA12 ASP 286 H 0.06 0.06 0.03 -0.55 8.40 8.00 2k7zA12 ASP 286 HA 0.03 -0.12 0.33 -0.75 4.63 4.11 2k7zA12 ASP 286 HB2 0.04 0.15 -0.12 -0.04 2.71 2.74 2k7zA12 ASP 286 HB3 0.02 0.01 0.20 -0.04 2.70 2.89 2k7zA12 CYS 287 H 0.07 0.18 -0.24 -0.55 8.50 7.96 2k7zA12 CYS 287 HA 0.04 0.10 0.87 -0.75 4.58 4.83 2k7zA12 CYS 287 HB2 0.05 -0.02 -0.15 -0.04 2.97 2.81 2k7zA12 CYS 287 HB3 0.11 0.13 -0.22 -0.04 2.97 2.95 2k7zA12 THR 288 H 0.02 0.14 0.12 -0.55 8.28 8.01 2k7zA12 THR 288 HA 0.03 0.22 0.65 -0.75 4.39 4.54 2k7zA12 THR 288 HB -0.00 -0.01 0.17 -0.04 4.32 4.44 2k7zA12 THR 288 HG23 0.01 0.02 -0.01 -0.04 1.22 1.20 2k7zA12 VAL 289 H 0.01 0.22 0.10 -0.55 8.24 8.02 2k7zA12 VAL 289 HA 0.05 0.12 0.28 -0.75 4.13 3.82 2k7zA12 VAL 289 HB -0.11 -0.08 0.01 -0.04 2.12 1.90 2k7zA12 VAL 289 HG13 -0.29 0.05 -0.19 -0.04 0.97 0.50 2k7zA12 VAL 289 HG23 0.06 0.01 -0.29 -0.04 0.95 0.70 2k7zA12 GLU 290 H -0.11 0.09 -0.14 -0.55 8.60 7.89 2k7zA12 GLU 290 HA -0.22 0.11 0.37 -0.75 4.29 3.80 2k7zA12 GLU 290 HB2 -0.13 0.02 0.10 -0.04 2.09 2.03 2k7zA12 GLU 290 HB3 -0.06 -0.04 0.07 -0.04 1.99 1.92 2k7zA12 GLU 290 HG2 -0.05 0.03 0.06 -0.04 2.34 2.34 2k7zA12 GLU 290 HG3 -0.05 0.02 0.02 -0.04 2.34 2.29 2k7zA12 GLN 291 H -0.01 0.14 -0.44 -0.55 8.47 7.61 2k7zA12 GLN 291 HA 0.01 0.12 0.43 -0.75 4.36 4.17 2k7zA12 GLN 291 HB2 0.02 0.03 0.08 -0.04 2.15 2.24 2k7zA12 GLN 291 HB3 0.03 0.09 0.06 -0.04 2.02 2.15 2k7zA12 GLN 291 HG2 -0.00 -0.12 0.02 -0.04 2.40 2.27 2k7zA12 GLN 291 HG3 0.02 -0.05 0.14 -0.04 2.39 2.46 2k7zA12 GLN 291 HE21 0.01 -0.04 0.04 -0.04 6.97 6.93 2k7zA12 GLN 291 HE22 0.01 0.04 0.01 -0.04 7.69 7.71 2k7zA12 ILE 292 H 0.03 0.48 -0.12 -0.55 8.25 8.08 2k7zA12 ILE 292 HA -0.08 0.12 0.56 -0.75 4.18 4.02 2k7zA12 ILE 292 HB 0.09 0.03 -0.00 -0.04 1.89 1.96 2k7zA12 ILE 292 HG12 -0.04 0.00 -0.11 -0.04 1.49 1.30 2k7zA12 ILE 292 HG13 0.03 0.07 -0.26 -0.04 1.21 1.01 2k7zA12 ILE 292 HG23 -0.01 -0.01 -0.07 -0.04 0.93 0.80 2k7zA12 ILE 292 HD13 0.06 0.02 -0.10 -0.04 0.88 0.81 2k7zA12 TYR 293 H 0.20 0.59 -0.09 -0.55 8.29 8.43 2k7zA12 TYR 293 HA -0.05 -0.00 0.42 -0.75 4.56 4.17 2k7zA12 TYR 293 HB2 -0.02 0.10 0.13 -0.04 3.06 3.23 2k7zA12 TYR 293 HB3 -0.04 0.02 -0.01 -0.04 2.98 2.90 2k7zA12 TYR 293 HD2 -0.01 0.00 -0.04 -0.04 7.15 7.07 2k7zA12 TYR 293 HE2 0.03 -0.03 -0.06 -0.04 6.85 6.76 2k7zA12 GLU 294 H 0.04 0.24 -0.57 -0.55 8.60 7.77 2k7zA12 GLU 294 HA -0.05 0.08 0.48 -0.75 4.29 4.04 2k7zA12 GLU 294 HB2 -0.03 0.17 0.04 -0.04 2.09 2.23 2k7zA12 GLU 294 HB3 -0.04 -0.02 0.14 -0.04 1.99 2.04 2k7zA12 GLU 294 HG2 0.00 -0.02 -0.00 -0.04 2.34 2.27 2k7zA12 GLU 294 HG3 0.02 0.12 0.05 -0.04 2.34 2.49 2k7zA12 ILE 295 H -0.13 0.51 -0.47 -0.55 8.25 7.62 2k7zA12 ILE 295 HA -0.27 0.13 0.77 -0.75 4.18 4.06 2k7zA12 ILE 295 HB -0.22 0.07 0.08 -0.04 1.89 1.78 2k7zA12 ILE 295 HG12 -0.22 0.03 -0.14 -0.04 1.49 1.11 2k7zA12 ILE 295 HG13 -0.17 0.02 0.00 -0.04 1.21 1.02 2k7zA12 ILE 295 HG23 -0.23 -0.01 0.02 -0.04 0.93 0.67 2k7zA12 ILE 295 HD13 -0.67 -0.01 -0.02 -0.04 0.88 0.14 2k7zA12 LEU 296 H -0.23 0.29 0.05 -0.55 8.37 7.92 2k7zA12 LEU 296 HA -0.45 0.07 0.35 -0.75 4.35 3.56 2k7zA12 LEU 296 HB2 -0.19 0.01 0.13 -0.04 1.64 1.55 2k7zA12 LEU 296 HB3 -0.26 0.08 0.05 -0.04 1.64 1.46 2k7zA12 LEU 296 HG -0.12 -0.06 0.00 -0.04 1.64 1.42 2k7zA12 LEU 296 HD13 -0.02 0.01 -0.05 -0.04 0.93 0.83 2k7zA12 LEU 296 HD23 0.13 -0.01 -0.08 -0.04 0.89 0.89 2k7zA12 LYS 297 H -0.28 0.24 -0.19 -0.55 8.42 7.63 2k7zA12 LYS 297 HA -0.25 0.14 0.52 -0.75 4.32 3.98 2k7zA12 LYS 297 HB2 -0.14 0.02 0.06 -0.04 1.87 1.77 2k7zA12 LYS 297 HB3 -0.16 0.04 0.06 -0.04 1.79 1.68 2k7zA12 LYS 297 HG2 -0.13 -0.01 -0.29 -0.04 1.46 1.00 2k7zA12 LYS 297 HG3 -0.10 -0.00 -0.05 -0.04 1.46 1.27 2k7zA12 LYS 297 HD2 -0.14 0.11 0.01 -0.04 1.69 1.64 2k7zA12 LYS 297 HD3 -0.18 -0.01 -0.25 -0.04 1.68 1.21 2k7zA12 LYS 297 HE2 -0.08 0.15 0.13 -0.04 2.99 3.15 2k7zA12 LYS 297 HE3 -0.07 -0.03 -0.02 -0.04 2.99 2.83 2k7zA12 ILE 298 H -0.40 0.19 -0.52 -0.55 8.25 6.97 2k7zA12 ILE 298 HA -0.15 0.01 0.27 -0.75 4.18 3.55 2k7zA12 ILE 298 HB -0.38 0.19 0.14 -0.04 1.89 1.80 2k7zA12 ILE 298 HG12 -0.11 -0.05 0.06 -0.04 1.49 1.35 2k7zA12 ILE 298 HG13 -0.19 0.09 0.12 -0.04 1.21 1.19 2k7zA12 ILE 298 HG23 -0.09 -0.01 -0.07 -0.04 0.93 0.73 2k7zA12 ILE 298 HD13 -0.10 -0.00 0.08 -0.04 0.88 0.82 2k7zA12 TYR 299 H -0.64 0.30 -0.38 -0.55 8.29 7.01 2k7zA12 TYR 299 HA -0.09 0.01 0.33 -0.75 4.56 4.06 2k7zA12 TYR 299 HB2 -0.36 0.12 0.02 -0.04 3.06 2.80 2k7zA12 TYR 299 HB3 0.09 0.01 0.05 -0.04 2.98 3.10 2k7zA12 TYR 299 HD2 -0.23 0.02 0.00 -0.04 7.15 6.91 2k7zA12 TYR 299 HE2 -0.04 -0.07 -0.06 -0.04 6.85 6.64 2k7zA12 GLN 300 H -0.11 0.44 -0.32 -0.55 8.47 7.93 2k7zA12 GLN 300 HA 0.01 0.08 0.64 -0.75 4.36 4.33 2k7zA12 GLN 300 HB2 -0.05 -0.02 0.10 -0.04 2.15 2.14 2k7zA12 GLN 300 HB3 -0.14 0.01 0.08 -0.04 2.02 1.92 2k7zA12 GLN 300 HG2 -0.09 0.12 -0.04 -0.04 2.40 2.36 2k7zA12 GLN 300 HG3 -0.05 -0.05 -0.14 -0.04 2.39 2.10 2k7zA12 GLN 300 HE21 -0.08 -0.02 -0.03 -0.04 6.97 6.80 2k7zA12 GLN 300 HE22 -0.09 -0.05 0.01 -0.04 7.69 7.51 2k7zA12 LEU 301 H -0.06 0.28 -0.13 -0.55 8.37 7.91 2k7zA12 LEU 301 HA -0.03 0.06 0.48 -0.75 4.35 4.11 2k7zA12 LEU 301 HB2 -0.07 0.03 0.15 -0.04 1.64 1.71 2k7zA12 LEU 301 HB3 -0.04 -0.02 -0.03 -0.04 1.64 1.51 2k7zA12 LEU 301 HG -0.06 -0.04 -0.03 -0.04 1.64 1.46 2k7zA12 LEU 301 HD13 -0.03 -0.00 0.02 -0.04 0.93 0.87 2k7zA12 LEU 301 HD23 -0.07 0.03 -0.12 -0.04 0.89 0.68 2k7zA12 MET 302 H -0.01 0.41 -0.19 -0.55 8.47 8.14 2k7zA12 MET 302 HA -0.04 0.02 0.40 -0.75 4.52 4.15 2k7zA12 MET 302 HB2 0.09 0.11 0.07 -0.04 2.15 2.38 2k7zA12 MET 302 HB3 -0.27 -0.09 0.04 -0.04 2.03 1.68 2k7zA12 MET 302 HG2 -0.07 -0.01 0.01 -0.04 2.63 2.51 2k7zA12 MET 302 HG3 -0.02 0.08 0.01 -0.04 2.56 2.59 2k7zA12 MET 302 HE3 -0.19 0.01 -0.04 -0.04 2.10 1.84 2k7zA12 ASP 303 H 0.08 0.22 -0.35 -0.55 8.40 7.80 2k7zA12 ASP 303 HA 0.08 0.04 0.25 -0.75 4.63 4.24 2k7zA12 ASP 303 HB2 0.03 0.10 -0.19 -0.04 2.71 2.61 2k7zA12 ASP 303 HB3 0.04 0.03 0.00 -0.04 2.70 2.73 2k7zA12 HIS 304 H 0.33 -0.04 -0.69 -0.55 8.41 7.46 2k7zA12 HIS 304 HA 0.02 0.13 0.59 -0.75 4.63 4.60 2k7zA12 HIS 304 HB2 0.02 -0.10 0.12 -0.04 3.26 3.26 2k7zA12 HIS 304 HB3 0.02 0.15 0.01 -0.04 3.20 3.34 2k7zA12 HIS 304 HD2 0.05 -0.01 -0.04 -0.04 6.97 6.93 2k7zA12 HIS 304 HE1 0.39 0.01 0.04 -0.04 7.75 8.14 2k7zA12 SER 305 H -0.00 0.12 0.11 -0.55 8.46 8.14 2k7zA12 SER 305 HA -0.18 0.22 0.65 -0.75 4.49 4.43 2k7zA12 SER 305 HB2 -0.02 0.05 -0.16 -0.04 3.95 3.78 2k7zA12 SER 305 HB3 -0.03 -0.02 0.06 -0.04 3.93 3.90 2k7zA12 ASN 306 H -0.27 0.05 -0.03 -0.55 8.53 7.74 2k7zA12 ASN 306 HA -0.05 0.11 0.47 -0.75 4.76 4.54 2k7zA12 ASN 306 HB2 0.07 -0.01 0.12 -0.04 2.88 3.02 2k7zA12 ASN 306 HB3 0.16 -0.05 0.17 -0.04 2.79 3.03 2k7zA12 ASN 306 HD21 -0.02 -0.00 0.04 -0.04 7.03 7.00 2k7zA12 ASN 306 HD22 -0.05 0.04 0.00 -0.04 7.74 7.69 2k7zA12 MET 307 H -0.13 0.19 0.06 -0.55 8.47 8.04 2k7zA12 MET 307 HA -0.15 0.16 0.68 -0.75 4.52 4.45 2k7zA12 MET 307 HB2 -0.25 -0.07 0.05 -0.04 2.15 1.84 2k7zA12 MET 307 HB3 -0.17 0.08 -0.12 -0.04 2.03 1.77 2k7zA12 MET 307 HG2 -0.17 -0.04 0.00 -0.04 2.63 2.38 2k7zA12 MET 307 HG3 -0.72 -0.06 -0.26 -0.04 2.56 1.48 2k7zA12 MET 307 HE3 -0.47 -0.03 -0.13 -0.04 2.10 1.43 2k7zA12 ASP 308 H -0.15 0.16 0.11 -0.55 8.40 7.97 2k7zA12 ASP 308 HA 0.20 0.20 0.78 -0.75 4.63 5.06 2k7zA12 ASP 308 HB2 -0.06 0.00 -0.11 -0.04 2.71 2.50 2k7zA12 ASP 308 HB3 -0.11 -0.01 0.01 -0.04 2.70 2.55 2k7zA12 CYS 309 H -0.13 0.03 0.02 -0.55 8.50 7.86 2k7zA12 CYS 309 HA -0.00 0.14 0.32 -0.75 4.58 4.29 2k7zA12 CYS 309 HB2 -0.32 0.03 0.02 -0.04 2.97 2.66 2k7zA12 CYS 309 HB3 -0.01 -0.02 0.06 -0.04 2.97 2.97 2k7zA12 PHE 310 H 0.25 0.11 -0.82 -0.55 8.34 7.33 2k7zA12 PHE 310 HA 0.02 0.01 0.27 -0.75 4.62 4.18 2k7zA12 PHE 310 HB2 -0.11 0.07 -0.03 -0.04 3.15 3.04 2k7zA12 PHE 310 HB3 -0.12 -0.01 -0.12 -0.04 3.06 2.77 2k7zA12 PHE 310 HD2 0.01 -0.02 -0.09 -0.04 7.28 7.14 2k7zA12 PHE 310 HE2 0.20 0.17 0.03 -0.04 7.38 7.74 2k7zA12 PHE 310 HZ 0.08 -0.06 -0.01 -0.04 7.32 7.29 2k7zA12 ILE 311 H -0.01 0.10 0.14 -0.55 8.25 7.93 2k7zA12 ILE 311 HA -0.21 0.26 0.80 -0.75 4.18 4.28 2k7zA12 ILE 311 HB -0.28 -0.06 0.12 -0.04 1.89 1.62 2k7zA12 ILE 311 HG12 -0.37 0.12 -0.13 -0.04 1.49 1.06 2k7zA12 ILE 311 HG13 -0.43 -0.04 0.01 -0.04 1.21 0.71 2k7zA12 ILE 311 HG23 -0.23 -0.00 -0.19 -0.04 0.93 0.47 2k7zA12 ILE 311 HD13 -0.61 -0.00 -0.05 -0.04 0.88 0.18 2k7zA12 CYS 312 H -0.34 0.79 0.32 -0.55 8.50 8.72 2k7zA12 CYS 312 HA -0.30 0.12 0.75 -0.75 4.58 4.39 2k7zA12 CYS 312 HB2 -1.51 -0.02 0.32 -0.04 2.97 1.73 2k7zA12 CYS 312 HB3 -1.14 -0.05 0.04 -0.04 2.97 1.78 2k7zA12 CYS 313 H -0.11 0.73 0.25 -0.55 8.50 8.83 2k7zA12 CYS 313 HA 0.13 0.15 0.85 -0.75 4.58 4.95 2k7zA12 CYS 313 HB2 0.05 -0.05 0.32 -0.04 2.97 3.25 2k7zA12 CYS 313 HB3 0.12 -0.02 0.07 -0.04 2.97 3.11 2k7zA12 ILE 314 H 0.06 0.49 0.06 -0.55 8.25 8.31 2k7zA12 ILE 314 HA 0.10 0.07 0.85 -0.75 4.18 4.45 2k7zA12 ILE 314 HB 0.44 0.07 -0.03 -0.04 1.89 2.33 2k7zA12 ILE 314 HG12 -0.29 -0.01 -0.25 -0.04 1.49 0.90 2k7zA12 ILE 314 HG13 0.11 -0.00 -0.11 -0.04 1.21 1.16 2k7zA12 ILE 314 HG23 0.24 -0.03 -0.22 -0.04 0.93 0.88 2k7zA12 ILE 314 HD13 -0.02 0.01 -0.16 -0.04 0.88 0.67 2k7zA12 LEU 315 H 0.15 0.17 0.14 -0.55 8.37 8.29 2k7zA12 LEU 315 HA 0.15 0.12 0.56 -0.75 4.35 4.42 2k7zA12 LEU 315 HB2 0.12 0.12 0.15 -0.04 1.64 2.00 2k7zA12 LEU 315 HB3 0.14 -0.04 0.13 -0.04 1.64 1.83 2k7zA12 LEU 315 HG 0.11 -0.05 0.01 -0.04 1.64 1.67 2k7zA12 LEU 315 HD13 0.09 -0.00 -0.17 -0.04 0.93 0.81 2k7zA12 LEU 315 HD23 0.09 0.01 -0.03 -0.04 0.89 0.92 2k7zA12 SER 316 H 0.20 0.18 0.07 -0.55 8.46 8.37 2k7zA12 SER 316 HA 0.16 0.11 0.47 -0.75 4.49 4.47 2k7zA12 SER 316 HB2 0.10 0.19 -0.16 -0.04 3.95 4.04 2k7zA12 SER 316 HB3 0.11 -0.07 -0.11 -0.04 3.93 3.81 2k7zA12 HIS 317 H -0.07 0.30 -0.01 -0.55 8.41 8.08 2k7zA12 HIS 317 HA 0.09 0.04 0.62 -0.75 4.63 4.63 2k7zA12 HIS 317 HB2 0.13 -0.03 0.02 -0.04 3.26 3.35 2k7zA12 HIS 317 HB3 0.13 0.06 -0.14 -0.04 3.20 3.21 2k7zA12 HIS 317 HD2 0.15 0.07 -0.01 -0.04 6.97 7.13 2k7zA12 HIS 317 HE1 0.21 0.05 -0.08 -0.04 7.75 7.88 2k7zA12 GLY 318 H 0.06 0.13 0.05 -0.55 8.43 8.12 2k7zA12 GLY 318 HA2 0.00 0.13 0.30 -0.51 4.01 3.94 2k7zA12 GLY 318 HA3 0.02 -0.16 0.48 -0.51 4.01 3.83 2k7zA12 ASP 319 H -0.05 0.19 0.15 -0.55 8.40 8.14 2k7zA12 ASP 319 HA -0.23 0.16 0.31 -0.75 4.63 4.13 2k7zA12 ASP 319 HB2 -0.11 0.12 -0.21 -0.04 2.71 2.47 2k7zA12 ASP 319 HB3 -0.10 -0.05 0.02 -0.04 2.70 2.53 2k7zA12 LYS 320 H -0.15 0.17 0.10 -0.55 8.42 7.98 2k7zA12 LYS 320 HA -0.08 0.05 0.31 -0.75 4.32 3.86 2k7zA12 LYS 320 HB2 -0.06 -0.05 0.07 -0.04 1.87 1.79 2k7zA12 LYS 320 HB3 -0.06 0.09 -0.03 -0.04 1.79 1.75 2k7zA12 LYS 320 HG2 -0.03 0.08 0.04 -0.04 1.46 1.50 2k7zA12 LYS 320 HG3 -0.08 -0.02 0.08 -0.04 1.46 1.40 2k7zA12 LYS 320 HD2 -0.08 0.02 0.04 -0.04 1.69 1.64 2k7zA12 LYS 320 HD3 -0.14 -0.08 0.10 -0.04 1.68 1.52 2k7zA12 LYS 320 HE2 -0.06 -0.02 0.02 -0.04 2.99 2.88 2k7zA12 LYS 320 HE3 -0.04 0.06 0.01 -0.04 2.99 2.98 2k7zA12 GLY 321 H -0.05 0.05 -0.26 -0.55 8.43 7.62 2k7zA12 GLY 321 HA2 -0.03 0.13 0.52 -0.51 4.01 4.12 2k7zA12 GLY 321 HA3 -0.03 0.04 0.36 -0.51 4.01 3.87 2k7zA12 ILE 322 H -0.02 0.11 -0.11 -0.55 8.25 7.68 2k7zA12 ILE 322 HA -0.02 0.16 0.63 -0.75 4.18 4.19 2k7zA12 ILE 322 HB -0.02 0.07 0.13 -0.04 1.89 2.04 2k7zA12 ILE 322 HG12 0.01 0.19 -0.42 -0.04 1.49 1.24 2k7zA12 ILE 322 HG13 0.00 -0.02 -0.06 -0.04 1.21 1.09 2k7zA12 ILE 322 HG23 -0.04 -0.01 -0.08 -0.04 0.93 0.76 2k7zA12 ILE 322 HD13 0.01 -0.03 -0.08 -0.04 0.88 0.74 2k7zA12 ILE 323 H -0.02 0.20 0.13 -0.55 8.25 8.02 2k7zA12 ILE 323 HA 0.06 0.13 0.82 -0.75 4.18 4.43 2k7zA12 ILE 323 HB -0.09 0.04 0.07 -0.04 1.89 1.87 2k7zA12 ILE 323 HG12 0.00 0.07 -0.16 -0.04 1.49 1.37 2k7zA12 ILE 323 HG13 -0.02 -0.06 -0.13 -0.04 1.21 0.96 2k7zA12 ILE 323 HG23 -0.14 0.02 0.02 -0.04 0.93 0.78 2k7zA12 ILE 323 HD13 -0.04 0.01 -0.03 -0.04 0.88 0.78 2k7zA12 TYR 324 H 0.28 0.11 0.10 -0.55 8.29 8.24 2k7zA12 TYR 324 HA -0.02 -0.12 0.47 -0.75 4.56 4.14 2k7zA12 TYR 324 HB2 -0.03 -0.06 0.20 -0.04 3.06 3.13 2k7zA12 TYR 324 HB3 -0.02 0.04 0.16 -0.04 2.98 3.12 2k7zA12 TYR 324 HD2 -0.02 -0.01 0.04 -0.04 7.15 7.13 2k7zA12 TYR 324 HE2 -0.01 0.02 -0.03 -0.04 6.85 6.79 2k7zA12 GLY 325 H 0.16 0.14 0.12 -0.55 8.43 8.29 2k7zA12 GLY 325 HA2 -0.16 0.07 0.18 -0.51 4.01 3.59 2k7zA12 GLY 325 HA3 -0.11 0.09 0.52 -0.51 4.01 4.00 2k7zA12 THR 326 H -0.03 0.09 -0.02 -0.55 8.28 7.77 2k7zA12 THR 326 HA 0.01 0.23 0.81 -0.75 4.39 4.68 2k7zA12 THR 326 HB -0.02 -0.21 0.18 -0.04 4.32 4.23 2k7zA12 THR 326 HG23 -0.01 0.03 -0.03 -0.04 1.22 1.16 2k7zA12 ASP 327 H -0.01 0.05 0.08 -0.55 8.40 7.98 2k7zA12 ASP 327 HA 0.02 0.13 0.39 -0.75 4.63 4.41 2k7zA12 ASP 327 HB2 0.03 -0.11 -0.20 -0.04 2.71 2.38 2k7zA12 ASP 327 HB3 0.05 0.31 -0.06 -0.04 2.70 2.95 2k7zA12 GLY 328 H 0.01 0.01 -0.15 -0.55 8.43 7.75 2k7zA12 GLY 328 HA2 0.04 0.15 0.65 -0.51 4.01 4.34 2k7zA12 GLY 328 HA3 0.01 0.13 0.34 -0.51 4.01 3.98 2k7zA12 GLN 329 H 0.03 0.24 -0.51 -0.55 8.47 7.68 2k7zA12 GLN 329 HA 0.04 0.01 0.49 -0.75 4.36 4.15 2k7zA12 GLN 329 HB2 0.00 -0.10 -0.00 -0.04 2.15 2.01 2k7zA12 GLN 329 HB3 -0.01 0.02 0.01 -0.04 2.02 2.00 2k7zA12 GLN 329 HG2 0.05 -0.14 -0.11 -0.04 2.40 2.16 2k7zA12 GLN 329 HG3 0.01 0.26 -0.19 -0.04 2.39 2.43 2k7zA12 GLN 329 HE21 -0.03 0.01 0.06 -0.04 6.97 6.98 2k7zA12 GLN 329 HE22 0.06 0.06 0.11 -0.04 7.69 7.88 2k7zA12 GLU 330 H 0.04 0.08 0.04 -0.55 8.60 8.21 2k7zA12 GLU 330 HA 0.05 0.08 0.49 -0.75 4.29 4.15 2k7zA12 GLU 330 HB2 0.06 0.07 -0.10 -0.04 2.09 2.08 2k7zA12 GLU 330 HB3 0.08 0.01 -0.25 -0.04 1.99 1.78 2k7zA12 GLU 330 HG2 0.04 -0.12 0.13 -0.04 2.34 2.35 2k7zA12 GLU 330 HG3 0.02 0.05 0.05 -0.04 2.34 2.42 2k7zA12 ALA 331 H 0.08 0.13 -0.05 -0.55 8.40 8.02 2k7zA12 ALA 331 HA 0.27 0.20 0.64 -0.75 4.34 4.69 2k7zA12 ALA 331 HB3 0.29 -0.02 -0.18 -0.04 1.41 1.47 2k7zA12 PRO 332 HA 0.11 0.14 0.47 -0.51 4.44 4.65 2k7zA12 PRO 332 HB2 0.12 -0.05 0.01 -0.04 2.28 2.32 2k7zA12 PRO 332 HB3 0.06 0.14 0.06 -0.04 2.02 2.24 2k7zA12 PRO 332 HG2 0.16 -0.03 0.06 -0.04 2.03 2.18 2k7zA12 PRO 332 HG3 0.10 0.10 -0.01 -0.04 2.03 2.18 2k7zA12 PRO 332 HD2 0.25 0.19 -0.07 -0.04 3.68 4.02 2k7zA12 PRO 332 HD3 0.11 0.05 -0.28 -0.04 3.65 3.49 2k7zA12 ILE 333 H 0.18 0.33 0.22 -0.55 8.25 8.43 2k7zA12 ILE 333 HA 0.21 0.05 0.36 -0.75 4.18 4.04 2k7zA12 ILE 333 HB 0.23 0.11 0.12 -0.04 1.89 2.32 2k7zA12 ILE 333 HG12 0.02 -0.02 -0.12 -0.04 1.49 1.33 2k7zA12 ILE 333 HG13 0.11 -0.01 0.06 -0.04 1.21 1.33 2k7zA12 ILE 333 HG23 0.28 0.01 -0.01 -0.04 0.93 1.16 2k7zA12 ILE 333 HD13 -0.05 0.02 -0.05 -0.04 0.88 0.76 2k7zA12 TYR 334 H 0.42 0.11 -0.35 -0.55 8.29 7.91 2k7zA12 TYR 334 HA 0.04 0.08 0.26 -0.75 4.56 4.18 2k7zA12 TYR 334 HB2 0.04 -0.03 -0.02 -0.04 3.06 3.01 2k7zA12 TYR 334 HB3 0.03 0.07 -0.01 -0.04 2.98 3.03 2k7zA12 TYR 334 HD2 0.04 -0.06 -0.00 -0.04 7.15 7.08 2k7zA12 TYR 334 HE2 0.04 0.01 -0.03 -0.04 6.85 6.83 2k7zA12 GLU 335 H 0.15 0.54 -0.41 -0.55 8.60 8.33 2k7zA12 GLU 335 HA 0.04 0.16 0.72 -0.75 4.29 4.47 2k7zA12 GLU 335 HB2 0.09 0.09 0.02 -0.04 2.09 2.25 2k7zA12 GLU 335 HB3 0.02 0.00 0.01 -0.04 1.99 1.99 2k7zA12 GLU 335 HG2 0.11 -0.09 -0.13 -0.04 2.34 2.19 2k7zA12 GLU 335 HG3 0.10 -0.01 -0.03 -0.04 2.34 2.35 2k7zA12 LEU 336 H 0.06 0.23 -0.05 -0.55 8.37 8.06 2k7zA12 LEU 336 HA -0.13 0.11 0.52 -0.75 4.35 4.10 2k7zA12 LEU 336 HB2 0.09 -0.01 0.14 -0.04 1.64 1.82 2k7zA12 LEU 336 HB3 0.02 0.01 -0.00 -0.04 1.64 1.63 2k7zA12 LEU 336 HG 0.15 0.08 -0.34 -0.04 1.64 1.49 2k7zA12 LEU 336 HD13 0.19 -0.01 -0.15 -0.04 0.93 0.92 2k7zA12 LEU 336 HD23 -0.08 -0.03 -0.20 -0.04 0.89 0.54 2k7zA12 THR 337 H 0.05 0.60 0.16 -0.55 8.28 8.54 2k7zA12 THR 337 HA 0.19 0.09 0.35 -0.75 4.39 4.27 2k7zA12 THR 337 HB -0.04 0.04 0.02 -0.04 4.32 4.29 2k7zA12 THR 337 HG23 -0.02 -0.01 0.00 -0.04 1.22 1.15 2k7zA12 SER 338 H 0.01 0.08 -0.76 -0.55 8.46 7.24 2k7zA12 SER 338 HA 0.01 0.02 0.34 -0.75 4.49 4.11 2k7zA12 SER 338 HB2 0.02 0.17 0.09 -0.04 3.95 4.19 2k7zA12 SER 338 HB3 0.00 0.04 -0.10 -0.04 3.93 3.83 2k7zA12 GLN 339 H -0.05 0.44 -0.53 -0.55 8.47 7.78 2k7zA12 GLN 339 HA -0.08 0.10 0.66 -0.75 4.36 4.29 2k7zA12 GLN 339 HB2 -0.26 0.12 0.04 -0.04 2.15 2.01 2k7zA12 GLN 339 HB3 -0.22 -0.04 0.05 -0.04 2.02 1.77 2k7zA12 GLN 339 HG2 -0.11 -0.04 -0.03 -0.04 2.40 2.18 2k7zA12 GLN 339 HG3 -0.12 0.13 -0.00 -0.04 2.39 2.36 2k7zA12 GLN 339 HE21 -0.22 0.22 0.05 -0.04 6.97 6.98 2k7zA12 GLN 339 HE22 -0.30 -0.11 -0.01 -0.04 7.69 7.22 2k7zA12 PHE 340 H 0.08 0.36 -0.22 -0.55 8.34 8.01 2k7zA12 PHE 340 HA 0.01 0.14 0.52 -0.75 4.62 4.54 2k7zA12 PHE 340 HB2 -0.09 0.03 0.13 -0.04 3.15 3.19 2k7zA12 PHE 340 HB3 -0.08 0.01 0.12 -0.04 3.06 3.07 2k7zA12 PHE 340 HD2 -0.02 -0.01 -0.04 -0.04 7.28 7.17 2k7zA12 PHE 340 HE2 -0.03 -0.02 -0.05 -0.04 7.38 7.24 2k7zA12 PHE 340 HZ -0.47 -0.04 -0.02 -0.04 7.32 6.74 2k7zA12 THR 341 H 0.07 0.15 -0.62 -0.55 8.28 7.34 2k7zA12 THR 341 HA 0.10 0.08 0.44 -0.75 4.39 4.26 2k7zA12 THR 341 HB 0.03 -0.01 0.02 -0.04 4.32 4.33 2k7zA12 THR 341 HG23 0.04 -0.04 -0.04 -0.04 1.22 1.14 2k7zA12 GLY 342 H 0.09 0.23 0.16 -0.55 8.43 8.36 2k7zA12 GLY 342 HA2 0.07 0.09 0.13 -0.51 4.01 3.79 2k7zA12 GLY 342 HA3 0.05 0.10 0.29 -0.51 4.01 3.94 2k7zA12 LEU 343 H 0.04 0.01 -0.67 -0.55 8.37 7.19 2k7zA12 LEU 343 HA 0.02 0.17 0.71 -0.75 4.35 4.50 2k7zA12 LEU 343 HB2 0.02 0.00 -0.06 -0.04 1.64 1.56 2k7zA12 LEU 343 HB3 0.02 0.02 0.08 -0.04 1.64 1.72 2k7zA12 LEU 343 HG 0.02 -0.07 -0.11 -0.04 1.64 1.44 2k7zA12 LEU 343 HD13 0.02 0.00 -0.03 -0.04 0.93 0.88 2k7zA12 LEU 343 HD23 0.02 0.03 -0.14 -0.04 0.89 0.75 2k7zA12 LYS 344 H 0.03 0.37 -0.12 -0.55 8.42 8.15 2k7zA12 LYS 344 HA 0.00 0.13 0.82 -0.75 4.32 4.51 2k7zA12 LYS 344 HB2 0.00 0.10 0.06 -0.04 1.87 1.99 2k7zA12 LYS 344 HB3 -0.01 -0.02 0.08 -0.04 1.79 1.80 2k7zA12 LYS 344 HG2 0.01 -0.18 -0.16 -0.04 1.46 1.10 2k7zA12 LYS 344 HG3 0.00 0.14 0.02 -0.04 1.46 1.58 2k7zA12 LYS 344 HD2 -0.00 -0.02 -0.02 -0.04 1.69 1.61 2k7zA12 LYS 344 HD3 0.00 0.12 -0.09 -0.04 1.68 1.68 2k7zA12 LYS 344 HE2 0.01 -0.00 -0.06 -0.04 2.99 2.89 2k7zA12 LYS 344 HE3 0.01 -0.08 -0.22 -0.04 2.99 2.66 2k7zA12 CYS 345 H 0.04 0.56 0.04 -0.55 8.50 8.58 2k7zA12 CYS 345 HA 0.02 0.12 0.68 -0.75 4.58 4.65 2k7zA12 CYS 345 HB2 -0.02 0.09 -0.08 -0.04 2.97 2.91 2k7zA12 CYS 345 HB3 0.04 0.07 0.11 -0.04 2.97 3.15 2k7zA12 PRO 346 HA 0.05 0.04 0.37 -0.51 4.44 4.39 2k7zA12 PRO 346 HB2 0.03 -0.00 -0.00 -0.04 2.28 2.26 2k7zA12 PRO 346 HB3 0.03 0.27 0.13 -0.04 2.02 2.42 2k7zA12 PRO 346 HG2 0.02 -0.00 -0.03 -0.04 2.03 1.98 2k7zA12 PRO 346 HG3 0.02 0.07 -0.04 -0.04 2.03 2.03 2k7zA12 PRO 346 HD2 0.02 0.17 -0.13 -0.04 3.68 3.70 2k7zA12 PRO 346 HD3 0.03 0.09 -0.41 -0.04 3.65 3.31 2k7zA12 SER 347 H 0.04 0.11 -0.45 -0.55 8.46 7.61 2k7zA12 SER 347 HA 0.03 0.04 0.26 -0.75 4.49 4.07 2k7zA12 SER 347 HB2 0.05 0.02 0.02 -0.04 3.95 4.00 2k7zA12 SER 347 HB3 0.04 0.07 0.02 -0.04 3.93 4.01 2k7zA12 LEU 348 H 0.09 0.23 -0.24 -0.55 8.37 7.90 2k7zA12 LEU 348 HA 0.05 0.11 0.71 -0.75 4.35 4.47 2k7zA12 LEU 348 HB2 0.16 0.01 0.03 -0.04 1.64 1.80 2k7zA12 LEU 348 HB3 0.11 0.00 0.19 -0.04 1.64 1.91 2k7zA12 LEU 348 HG 0.02 0.17 -0.25 -0.04 1.64 1.55 2k7zA12 LEU 348 HD13 0.13 0.01 -0.06 -0.04 0.93 0.97 2k7zA12 LEU 348 HD23 -0.06 -0.00 -0.01 -0.04 0.89 0.78 2k7zA12 ALA 349 H 0.09 0.29 -0.19 -0.55 8.40 8.04 2k7zA12 ALA 349 HA 0.18 0.24 0.81 -0.75 4.34 4.82 2k7zA12 ALA 349 HB3 0.13 -0.00 -0.04 -0.04 1.41 1.46 2k7zA12 GLY 350 H 0.05 0.11 -0.09 -0.55 8.43 7.95 2k7zA12 GLY 350 HA2 0.00 0.11 0.70 -0.51 4.01 4.32 2k7zA12 GLY 350 HA3 0.02 0.00 0.29 -0.51 4.01 3.81 2k7zA12 LYS 351 H 0.01 0.13 -0.23 -0.55 8.42 7.78 2k7zA12 LYS 351 HA -0.04 0.11 0.78 -0.75 4.32 4.42 2k7zA12 LYS 351 HB2 -0.04 0.00 0.03 -0.04 1.87 1.82 2k7zA12 LYS 351 HB3 -0.15 0.04 0.00 -0.04 1.79 1.64 2k7zA12 LYS 351 HG2 -0.16 -0.06 -0.01 -0.04 1.46 1.19 2k7zA12 LYS 351 HG3 -0.06 0.00 0.05 -0.04 1.46 1.41 2k7zA12 LYS 351 HD2 0.02 -0.04 -0.34 -0.04 1.69 1.29 2k7zA12 LYS 351 HD3 -0.01 0.04 -0.05 -0.04 1.68 1.61 2k7zA12 LYS 351 HE2 0.02 0.03 -0.02 -0.04 2.99 2.97 2k7zA12 LYS 351 HE3 0.13 -0.02 -0.02 -0.04 2.99 3.03 2k7zA12 PRO 352 HA -0.21 0.34 0.49 -0.51 4.44 4.55 2k7zA12 PRO 352 HB2 -0.05 -0.06 0.12 -0.04 2.28 2.25 2k7zA12 PRO 352 HB3 -0.09 -0.05 0.13 -0.04 2.02 1.96 2k7zA12 PRO 352 HG2 -0.25 -0.01 -0.06 -0.04 2.03 1.67 2k7zA12 PRO 352 HG3 -0.14 -0.03 0.01 -0.04 2.03 1.83 2k7zA12 PRO 352 HD2 -0.35 0.05 0.17 -0.04 3.68 3.51 2k7zA12 PRO 352 HD3 -0.06 0.14 0.14 -0.04 3.65 3.83 2k7zA12 LYS 353 H 0.12 0.20 0.32 -0.55 8.42 8.50 2k7zA12 LYS 353 HA 0.04 0.16 0.41 -0.75 4.32 4.18 2k7zA12 LYS 353 HB2 0.19 0.16 -0.25 -0.04 1.87 1.92 2k7zA12 LYS 353 HB3 0.01 -0.14 -0.06 -0.04 1.79 1.56 2k7zA12 LYS 353 HG2 -0.16 -0.04 0.07 -0.04 1.46 1.29 2k7zA12 LYS 353 HG3 -0.05 0.18 0.25 -0.04 1.46 1.80 2k7zA12 LYS 353 HD2 -0.74 -0.07 -0.01 -0.04 1.69 0.83 2k7zA12 LYS 353 HD3 -0.57 -0.11 0.01 -0.04 1.68 0.97 2k7zA12 LYS 353 HE2 -0.40 -0.08 0.06 -0.04 2.99 2.52 2k7zA12 LYS 353 HE3 -0.08 0.03 0.15 -0.04 2.99 3.05 2k7zA12 VAL 354 H -0.02 0.62 0.19 -0.55 8.24 8.48 2k7zA12 VAL 354 HA -0.05 0.02 0.99 -0.75 4.13 4.34 2k7zA12 VAL 354 HB -0.19 0.02 -0.01 -0.04 2.12 1.90 2k7zA12 VAL 354 HG13 -0.46 -0.02 -0.14 -0.04 0.97 0.30 2k7zA12 VAL 354 HG23 0.07 0.06 -0.20 -0.04 0.95 0.83 2k7zA12 PHE 355 H -0.04 0.30 0.15 -0.55 8.34 8.19 2k7zA12 PHE 355 HA -0.14 0.14 0.96 -0.75 4.62 4.83 2k7zA12 PHE 355 HB2 -0.13 -0.00 -0.17 -0.04 3.15 2.81 2k7zA12 PHE 355 HB3 -0.06 -0.01 0.16 -0.04 3.06 3.12 2k7zA12 PHE 355 HD2 -0.05 0.01 -0.27 -0.04 7.28 6.93 2k7zA12 PHE 355 HE2 0.05 0.00 -0.07 -0.04 7.38 7.32 2k7zA12 PHE 355 HZ -0.04 -0.06 -0.08 -0.04 7.32 7.10 2k7zA12 PHE 356 H -0.01 0.72 0.25 -0.55 8.34 8.76 2k7zA12 PHE 356 HA 0.16 0.02 0.95 -0.75 4.62 5.00 2k7zA12 PHE 356 HB2 0.05 -0.02 0.18 -0.04 3.15 3.32 2k7zA12 PHE 356 HB3 0.10 0.07 0.03 -0.04 3.06 3.22 2k7zA12 PHE 356 HD2 0.06 0.01 -0.03 -0.04 7.28 7.29 2k7zA12 PHE 356 HE2 0.09 0.01 -0.08 -0.04 7.38 7.36 2k7zA12 PHE 356 HZ 0.07 0.02 -0.09 -0.04 7.32 7.28 2k7zA12 ILE 357 H 0.32 0.18 0.17 -0.55 8.25 8.38 2k7zA12 ILE 357 HA 0.33 0.20 0.80 -0.75 4.18 4.75 2k7zA12 ILE 357 HB 0.13 0.05 -0.25 -0.04 1.89 1.77 2k7zA12 ILE 357 HG12 -0.05 -0.01 -0.12 -0.04 1.49 1.27 2k7zA12 ILE 357 HG13 0.24 0.06 -0.25 -0.04 1.21 1.22 2k7zA12 ILE 357 HG23 0.17 -0.01 -0.09 -0.04 0.93 0.95 2k7zA12 ILE 357 HD13 0.05 -0.01 -0.16 -0.04 0.88 0.71 2k7zA12 GLN 358 H 0.20 0.27 0.19 -0.55 8.47 8.59 2k7zA12 GLN 358 HA 0.12 0.12 0.80 -0.75 4.36 4.65 2k7zA12 GLN 358 HB2 0.14 0.16 0.15 -0.04 2.15 2.55 2k7zA12 GLN 358 HB3 0.10 -0.07 -0.04 -0.04 2.02 1.96 2k7zA12 GLN 358 HG2 0.09 0.00 0.05 -0.04 2.40 2.50 2k7zA12 GLN 358 HG3 0.12 0.05 -0.30 -0.04 2.39 2.23 2k7zA12 GLN 358 HE21 0.06 0.03 -0.10 -0.04 6.97 6.91 2k7zA12 GLN 358 HE22 0.05 -0.03 -0.07 -0.04 7.69 7.60 2k7zA12 ALA 359 H 0.09 0.26 0.11 -0.55 8.40 8.31 2k7zA12 ALA 359 HA 0.08 0.10 0.87 -0.75 4.34 4.64 2k7zA12 ALA 359 HB3 0.09 0.01 0.01 -0.04 1.41 1.48 2k7zA12 ALA 360 H 0.05 0.16 0.21 -0.55 8.40 8.27 2k7zA12 ALA 360 HA 0.03 0.16 0.83 -0.75 4.34 4.62 2k7zA12 ALA 360 HB3 0.05 0.04 0.13 -0.04 1.41 1.59 2k7zA12 GLN 361 H 0.02 0.17 0.20 -0.55 8.47 8.32 2k7zA12 GLN 361 HA -0.01 0.10 0.40 -0.75 4.36 4.10 2k7zA12 GLN 361 HB2 -0.01 0.09 -0.56 -0.04 2.15 1.62 2k7zA12 GLN 361 HB3 -0.00 -0.02 -0.33 -0.04 2.02 1.62 2k7zA12 GLN 361 HG2 -0.04 0.05 -0.06 -0.04 2.40 2.31 2k7zA12 GLN 361 HG3 -0.07 0.05 -0.16 -0.04 2.39 2.18 2k7zA12 GLN 361 HE21 -0.01 -0.08 -0.29 -0.04 6.97 6.55 2k7zA12 GLN 361 HE22 0.00 0.50 -0.27 -0.04 7.69 7.88 2k7zA12 GLY 362 H -0.00 0.20 0.06 -0.55 8.43 8.14 2k7zA12 GLY 362 HA2 0.01 -0.00 0.77 -0.51 4.01 4.28 2k7zA12 GLY 362 HA3 0.01 -0.03 0.49 -0.51 4.01 3.96 2k7zA12 ASP 363 H 0.00 0.07 0.08 -0.55 8.40 8.01 2k7zA12 ASP 363 HA -0.02 0.03 0.53 -0.75 4.63 4.42 2k7zA12 ASP 363 HB2 -0.01 0.10 0.08 -0.04 2.71 2.85 2k7zA12 ASP 363 HB3 -0.01 -0.03 0.10 -0.04 2.70 2.72 2k7zA12 ASN 364 H -0.00 0.07 0.15 -0.55 8.53 8.20 2k7zA12 ASN 364 HA 0.05 0.13 0.72 -0.75 4.76 4.91 2k7zA12 ASN 364 HB2 0.05 0.07 0.15 -0.04 2.88 3.11 2k7zA12 ASN 364 HB3 0.02 0.00 0.04 -0.04 2.79 2.82 2k7zA12 ASN 364 HD21 -0.01 0.10 0.05 -0.04 7.03 7.13 2k7zA12 ASN 364 HD22 -0.02 -0.08 0.02 -0.04 7.74 7.62 2k7zA12 TYR 365 H 0.16 0.14 0.15 -0.55 8.29 8.18 2k7zA12 TYR 365 HA -0.01 0.10 0.60 -0.75 4.56 4.50 2k7zA12 TYR 365 HB2 -0.01 0.02 0.14 -0.04 3.06 3.17 2k7zA12 TYR 365 HB3 -0.01 0.14 0.07 -0.04 2.98 3.15 2k7zA12 TYR 365 HD2 -0.01 0.11 -0.01 -0.04 7.15 7.20 2k7zA12 TYR 365 HE2 -0.00 0.01 -0.03 -0.04 6.85 6.78 2k7zA12 GLN 366 H -0.71 0.13 0.14 -0.55 8.47 7.49 2k7zA12 GLN 366 HA -0.10 0.19 0.60 -0.75 4.36 4.29 2k7zA12 GLN 366 HB2 -0.19 0.02 0.04 -0.04 2.15 1.97 2k7zA12 GLN 366 HB3 -0.28 -0.01 0.08 -0.04 2.02 1.77 2k7zA12 GLN 366 HG2 -0.10 -0.01 0.14 -0.04 2.40 2.39 2k7zA12 GLN 366 HG3 -0.08 0.03 0.07 -0.04 2.39 2.37 2k7zA12 GLN 366 HE21 -0.07 0.02 -0.02 -0.04 6.97 6.86 2k7zA12 GLN 366 HE22 -0.06 -0.01 0.00 -0.04 7.69 7.58 2k7zA12 LYS 367 H -0.01 0.18 -0.29 -0.55 8.42 7.75 2k7zA12 LYS 367 HA 0.01 0.17 0.65 -0.75 4.32 4.40 2k7zA12 LYS 367 HB2 0.08 -0.06 -0.07 -0.04 1.87 1.77 2k7zA12 LYS 367 HB3 0.13 -0.01 -0.02 -0.04 1.79 1.85 2k7zA12 LYS 367 HG2 -0.10 0.11 -0.28 -0.04 1.46 1.16 2k7zA12 LYS 367 HG3 -0.01 -0.01 -0.06 -0.04 1.46 1.33 2k7zA12 LYS 367 HD2 0.00 0.00 0.15 -0.04 1.69 1.80 2k7zA12 LYS 367 HD3 -0.02 0.03 0.04 -0.04 1.68 1.69 2k7zA12 LYS 367 HE2 0.02 0.01 -0.01 -0.04 2.99 2.97 2k7zA12 LYS 367 HE3 0.04 -0.04 0.00 -0.04 2.99 2.96 2k7zA12 GLY 368 H 0.05 0.18 0.10 -0.55 8.43 8.21 2k7zA12 GLY 368 HA2 0.05 0.01 0.31 -0.51 4.01 3.87 2k7zA12 GLY 368 HA3 0.05 0.17 0.63 -0.51 4.01 4.35 2k7zA12 ILE 369 H 0.00 0.21 0.15 -0.55 8.25 8.07 2k7zA12 ILE 369 HA -0.01 0.25 0.81 -0.75 4.18 4.48 2k7zA12 ILE 369 HB -0.01 -0.09 0.04 -0.04 1.89 1.79 2k7zA12 ILE 369 HG12 -0.00 0.08 -0.07 -0.04 1.49 1.46 2k7zA12 ILE 369 HG13 0.01 -0.02 -0.09 -0.04 1.21 1.06 2k7zA12 ILE 369 HG23 -0.00 0.03 -0.06 -0.04 0.93 0.85 2k7zA12 ILE 369 HD13 -0.01 -0.04 -0.12 -0.04 0.88 0.66 2k7zA12 PRO 370 HA -0.03 0.12 0.43 -0.51 4.44 4.44 2k7zA12 PRO 370 HB2 -0.03 0.06 0.06 -0.04 2.28 2.34 2k7zA12 PRO 370 HB3 -0.03 0.02 0.12 -0.04 2.02 2.10 2k7zA12 PRO 370 HG2 -0.02 0.05 0.06 -0.04 2.03 2.07 2k7zA12 PRO 370 HG3 -0.02 0.06 0.07 -0.04 2.03 2.11 2k7zA12 PRO 370 HD2 -0.02 0.12 0.23 -0.04 3.68 3.96 2k7zA12 PRO 370 HD3 -0.02 0.18 0.17 -0.04 3.65 3.94 2k7zA12 VAL 371 H -0.02 0.06 -0.40 -0.55 8.24 7.32 2k7zA12 VAL 371 HA -0.03 0.14 0.39 -0.75 4.13 3.88 2k7zA12 VAL 371 HB -0.01 0.05 0.09 -0.04 2.12 2.21 2k7zA12 VAL 371 HG13 -0.01 0.00 -0.04 -0.04 0.97 0.88 2k7zA12 VAL 371 HG23 -0.01 -0.00 -0.11 -0.04 0.95 0.79 2k7zA12 GLU 372 H -0.06 0.23 -0.54 -0.55 8.60 7.69 2k7zA12 GLU 372 HA -0.07 0.08 0.45 -0.75 4.29 4.01 2k7zA12 GLU 372 HB2 -0.05 0.04 0.12 -0.04 2.09 2.15 2k7zA12 GLU 372 HB3 -0.13 0.01 0.05 -0.04 1.99 1.88 2k7zA12 GLU 372 HG2 -0.05 -0.00 -0.01 -0.04 2.34 2.24 2k7zA12 GLU 372 HG3 -0.09 0.04 -0.04 -0.04 2.34 2.21 2k7zA12 THR 373 H -0.18 0.24 -0.05 -0.55 8.28 7.74 2k7zA12 THR 373 HA -0.53 0.13 0.69 -0.75 4.39 3.92 2k7zA12 THR 373 HB -0.70 -0.01 -0.11 -0.04 4.32 3.46 2k7zA12 THR 373 HG23 -0.83 0.05 -0.28 -0.04 1.22 0.11 2k7zA12 ASP 374 H -0.06 0.13 0.06 -0.55 8.40 7.98 2k7zA12 ASP 374 HA -0.04 0.18 0.74 -0.75 4.63 4.76 2k7zA12 ASP 374 HB2 0.00 0.02 0.08 -0.04 2.71 2.77 2k7zA12 ASP 374 HB3 -0.00 0.05 0.07 -0.04 2.70 2.78 2k7zA12 SER 375 H 0.04 0.10 0.04 -0.55 8.46 8.10 2k7zA12 SER 375 HA 0.02 0.15 0.83 -0.75 4.49 4.74 2k7zA12 SER 375 HB2 0.05 -0.02 0.06 -0.04 3.95 4.00 2k7zA12 SER 375 HB3 0.04 0.06 -0.04 -0.04 3.93 3.95 2k7zA12 GLU 376 H 0.02 0.25 0.05 -0.55 8.60 8.37 2k7zA12 GLU 376 HA 0.07 0.10 0.59 -0.75 4.29 4.31 2k7zA12 GLU 376 HB2 -0.03 0.10 0.18 -0.04 2.09 2.31 2k7zA12 GLU 376 HB3 -0.03 0.00 0.08 -0.04 1.99 2.00 2k7zA12 GLU 376 HG2 -0.01 0.04 0.01 -0.04 2.34 2.33 2k7zA12 GLU 376 HG3 0.03 -0.09 0.05 -0.04 2.34 2.29 2k7zA12 GLU 377 H 0.05 -0.03 -0.37 -0.55 8.60 7.71 2k7zA12 GLU 377 HA 0.05 0.05 0.33 -0.75 4.29 3.97 2k7zA12 GLU 377 HB2 0.05 -0.02 -0.00 -0.04 2.09 2.07 2k7zA12 GLU 377 HB3 0.05 0.04 0.00 -0.04 1.99 2.04 2k7zA12 GLU 377 HG2 0.06 -0.09 0.04 -0.04 2.34 2.30 2k7zA12 GLU 377 HG3 0.04 0.01 0.02 -0.04 2.34 2.38 2k7zA12 GLN 378 H 0.08 0.06 -0.59 -0.55 8.47 7.47 2k7zA12 GLN 378 HA 0.04 0.18 0.69 -0.75 4.36 4.52 2k7zA12 GLN 378 HB2 0.04 0.02 -0.10 -0.04 2.15 2.06 2k7zA12 GLN 378 HB3 0.02 0.03 0.05 -0.04 2.02 2.07 2k7zA12 GLN 378 HG2 0.09 0.12 0.02 -0.04 2.40 2.59 2k7zA12 GLN 378 HG3 0.04 0.01 -0.02 -0.04 2.39 2.38 2k7zA12 GLN 378 HE21 0.05 -0.01 -0.01 -0.04 6.97 6.96 2k7zA12 GLN 378 HE22 0.03 0.01 -0.05 -0.04 7.69 7.64 2k7zA12 PRO 379 HA 0.06 0.12 0.32 -0.51 4.44 4.43 2k7zA12 PRO 379 HB2 0.01 0.04 0.15 -0.04 2.28 2.43 2k7zA12 PRO 379 HB3 0.02 0.03 0.08 -0.04 2.02 2.10 2k7zA12 PRO 379 HG2 -0.02 0.03 0.07 -0.04 2.03 2.07 2k7zA12 PRO 379 HG3 -0.00 0.03 0.08 -0.04 2.03 2.10 2k7zA12 PRO 379 HD2 0.00 0.06 0.13 -0.04 3.68 3.84 2k7zA12 PRO 379 HD3 0.02 0.15 0.16 -0.04 3.65 3.93 2k7zA12 TYR 380 H 0.15 0.70 0.12 -0.55 8.29 8.72 2k7zA12 TYR 380 HA 0.01 0.13 0.68 -0.75 4.56 4.62 2k7zA12 TYR 380 HB2 0.01 0.03 0.00 -0.04 3.06 3.06 2k7zA12 TYR 380 HB3 0.02 -0.07 0.12 -0.04 2.98 3.00 2k7zA12 TYR 380 HD2 0.01 0.03 -0.10 -0.04 7.15 7.04 2k7zA12 TYR 380 HE2 0.00 -0.04 0.03 -0.04 6.85 6.80 2k7zA12 LEU 381 H 0.19 0.17 0.15 -0.55 8.37 8.33 2k7zA12 LEU 381 HA 0.12 0.15 0.88 -0.75 4.35 4.76 2k7zA12 LEU 381 HB2 0.13 0.06 -0.01 -0.04 1.64 1.78 2k7zA12 LEU 381 HB3 0.06 0.02 -0.03 -0.04 1.64 1.65 2k7zA12 LEU 381 HG -0.01 -0.09 0.03 -0.04 1.64 1.53 2k7zA12 LEU 381 HD13 0.03 0.01 0.13 -0.04 0.93 1.06 2k7zA12 LEU 381 HD23 -0.04 0.01 -0.04 -0.04 0.89 0.78 2k7zA12 GLU 382 H 0.04 0.32 0.21 -0.55 8.60 8.63 2k7zA12 GLU 382 HA -0.08 0.12 0.59 -0.75 4.29 4.16 2k7zA12 GLU 382 HB2 0.04 -0.01 -0.18 -0.04 2.09 1.91 2k7zA12 GLU 382 HB3 -0.00 -0.01 0.04 -0.04 1.99 1.98 2k7zA12 GLU 382 HG2 0.20 0.00 0.16 -0.04 2.34 2.66 2k7zA12 GLU 382 HG3 0.14 0.05 -0.24 -0.04 2.34 2.24 2k7zA12 MET 383 H -0.18 0.33 0.24 -0.55 8.47 8.32 2k7zA12 MET 383 HA -0.08 0.06 0.42 -0.75 4.52 4.17 2k7zA12 MET 383 HB2 -0.10 0.02 0.15 -0.04 2.15 2.18 2k7zA12 MET 383 HB3 -0.12 0.13 0.15 -0.04 2.03 2.14 2k7zA12 MET 383 HG2 -0.46 -0.09 -0.26 -0.04 2.63 1.78 2k7zA12 MET 383 HG3 -0.25 0.06 -0.12 -0.04 2.56 2.22 2k7zA12 MET 383 HE3 -0.09 -0.00 -0.04 -0.04 2.10 1.92 2k7zA12 ASP 384 H -0.05 0.23 0.21 -0.55 8.40 8.24 2k7zA12 ASP 384 HA -0.03 0.19 0.70 -0.75 4.63 4.74 2k7zA12 ASP 384 HB2 -0.00 0.01 0.14 -0.04 2.71 2.82 2k7zA12 ASP 384 HB3 -0.01 0.08 -0.03 -0.04 2.70 2.70 2k7zA12 LEU 385 H -0.01 0.18 0.17 -0.55 8.37 8.17 2k7zA12 LEU 385 HA -0.01 0.05 0.76 -0.75 4.35 4.39 2k7zA12 LEU 385 HB2 -0.01 0.01 0.14 -0.04 1.64 1.74 2k7zA12 LEU 385 HB3 -0.02 0.05 -0.15 -0.04 1.64 1.49 2k7zA12 LEU 385 HG -0.03 0.02 -0.09 -0.04 1.64 1.51 2k7zA12 LEU 385 HD13 -0.01 -0.05 -0.04 -0.04 0.93 0.79 2k7zA12 LEU 385 HD23 -0.01 -0.02 -0.18 -0.04 0.89 0.64 2k7zA12 SER 386 H -0.01 0.16 0.20 -0.55 8.46 8.26 2k7zA12 SER 386 HA -0.00 0.18 0.68 -0.75 4.49 4.60 2k7zA12 SER 386 HB2 -0.00 -0.01 0.07 -0.04 3.95 3.96 2k7zA12 SER 386 HB3 -0.00 0.02 0.06 -0.04 3.93 3.97 2k7zA12 SER 387 H -0.00 0.03 0.01 -0.55 8.46 7.95 2k7zA12 SER 387 HA -0.00 0.05 0.39 -0.75 4.49 4.17 2k7zA12 SER 387 HB2 0.00 0.14 0.25 -0.04 3.95 4.30 2k7zA12 SER 387 HB3 0.00 -0.06 -0.21 -0.04 3.93 3.62 2k7zA12 PRO 388 HA 0.00 0.13 0.47 -0.51 4.44 4.54 2k7zA12 PRO 388 HB2 0.01 0.01 -0.00 -0.04 2.28 2.25 2k7zA12 PRO 388 HB3 0.01 0.07 0.10 -0.04 2.02 2.15 2k7zA12 PRO 388 HG2 0.01 -0.02 0.10 -0.04 2.03 2.08 2k7zA12 PRO 388 HG3 0.01 0.08 0.07 -0.04 2.03 2.14 2k7zA12 PRO 388 HD2 0.00 -0.06 0.19 -0.04 3.68 3.77 2k7zA12 PRO 388 HD3 0.00 0.19 0.12 -0.04 3.65 3.91 2k7zA12 GLN 389 H 0.01 0.36 0.24 -0.55 8.47 8.54 2k7zA12 GLN 389 HA 0.01 -0.04 0.57 -0.75 4.36 4.14 2k7zA12 GLN 389 HB2 0.00 0.16 -0.31 -0.04 2.15 1.96 2k7zA12 GLN 389 HB3 0.01 0.07 -0.09 -0.04 2.02 1.97 2k7zA12 GLN 389 HG2 0.01 -0.10 0.00 -0.04 2.40 2.27 2k7zA12 GLN 389 HG3 0.00 0.09 -0.11 -0.04 2.39 2.32 2k7zA12 GLN 389 HE21 0.05 0.20 0.00 -0.04 6.97 7.17 2k7zA12 GLN 389 HE22 0.11 0.05 0.05 -0.04 7.69 7.86 2k7zA12 THR 390 H 0.02 0.08 0.21 -0.55 8.28 8.04 2k7zA12 THR 390 HA 0.03 0.10 0.41 -0.75 4.39 4.17 2k7zA12 THR 390 HB 0.10 0.00 0.14 -0.04 4.32 4.52 2k7zA12 THR 390 HG23 -0.04 0.02 0.00 -0.04 1.22 1.16 2k7zA12 ARG 391 H 0.09 0.04 -0.08 -0.55 8.46 7.96 2k7zA12 ARG 391 HA 0.07 0.05 0.25 -0.75 4.34 3.96 2k7zA12 ARG 391 HB2 0.03 -0.06 -0.22 -0.04 1.90 1.62 2k7zA12 ARG 391 HB3 0.03 0.13 -0.07 -0.04 1.80 1.85 2k7zA12 ARG 391 HG2 0.00 0.01 0.09 -0.04 1.67 1.73 2k7zA12 ARG 391 HG3 0.01 0.07 0.02 -0.04 1.67 1.73 2k7zA12 ARG 391 HD2 0.01 -0.03 -0.03 -0.04 3.22 3.12 2k7zA12 ARG 391 HD3 0.01 -0.01 -0.01 -0.04 3.22 3.17 2k7zA12 TYR 392 H 0.37 -0.13 -0.54 -0.55 8.29 7.43 2k7zA12 TYR 392 HA 0.01 0.09 0.40 -0.75 4.56 4.30 2k7zA12 TYR 392 HB2 0.02 0.02 0.00 -0.04 3.06 3.06 2k7zA12 TYR 392 HB3 0.00 -0.04 0.03 -0.04 2.98 2.93 2k7zA12 TYR 392 HD2 0.01 -0.06 -0.07 -0.04 7.15 7.00 2k7zA12 TYR 392 HE2 -0.02 0.00 -0.05 -0.04 6.85 6.74 2k7zA12 ILE 393 H 0.02 0.23 0.15 -0.55 8.25 8.10 2k7zA12 ILE 393 HA -0.28 0.14 0.73 -0.75 4.18 4.02 2k7zA12 ILE 393 HB -0.11 0.16 -0.14 -0.04 1.89 1.75 2k7zA12 ILE 393 HG12 -0.07 -0.18 -0.10 -0.04 1.49 1.09 2k7zA12 ILE 393 HG13 -0.12 -0.00 0.09 -0.04 1.21 1.14 2k7zA12 ILE 393 HG23 -0.03 0.01 0.05 -0.04 0.93 0.92 2k7zA12 ILE 393 HD13 -0.07 0.02 -0.01 -0.04 0.88 0.79 2k7zA12 PRO 394 HA -0.01 0.12 0.48 -0.51 4.44 4.52 2k7zA12 PRO 394 HB2 -0.10 0.06 -0.06 -0.04 2.28 2.13 2k7zA12 PRO 394 HB3 -0.09 -0.01 0.02 -0.04 2.02 1.90 2k7zA12 PRO 394 HG2 -0.10 -0.04 0.01 -0.04 2.03 1.86 2k7zA12 PRO 394 HG3 -0.16 0.06 -0.02 -0.04 2.03 1.87 2k7zA12 PRO 394 HD2 -0.19 0.14 0.19 -0.04 3.68 3.78 2k7zA12 PRO 394 HD3 -0.25 0.13 0.02 -0.04 3.65 3.51 2k7zA12 ASP 395 H -0.06 0.04 -0.26 -0.55 8.40 7.58 2k7zA12 ASP 395 HA -0.04 0.03 0.26 -0.75 4.63 4.13 2k7zA12 ASP 395 HB2 -0.02 -0.01 -0.17 -0.04 2.71 2.47 2k7zA12 ASP 395 HB3 -0.01 0.09 0.11 -0.04 2.70 2.85 2k7zA12 GLU 396 H -0.02 -0.08 -0.21 -0.55 8.60 7.74 2k7zA12 GLU 396 HA 0.03 0.15 0.49 -0.75 4.29 4.21 2k7zA12 GLU 396 HB2 0.05 -0.09 -0.05 -0.04 2.09 1.96 2k7zA12 GLU 396 HB3 0.29 0.06 -0.04 -0.04 1.99 2.26 2k7zA12 GLU 396 HG2 -0.03 0.01 -0.16 -0.04 2.34 2.13 2k7zA12 GLU 396 HG3 -0.01 -0.02 -0.08 -0.04 2.34 2.19 2k7zA12 ALA 397 H 0.07 0.23 0.13 -0.55 8.40 8.28 2k7zA12 ALA 397 HA -0.04 0.18 0.80 -0.75 4.34 4.52 2k7zA12 ALA 397 HB3 -0.06 0.03 0.00 -0.04 1.41 1.34 2k7zA12 ASP 398 H -0.12 0.61 0.11 -0.55 8.40 8.45 2k7zA12 ASP 398 HA -0.17 -0.15 0.31 -0.75 4.63 3.86 2k7zA12 ASP 398 HB2 -0.26 -0.02 -0.13 -0.04 2.71 2.27 2k7zA12 ASP 398 HB3 -0.67 0.22 0.08 -0.04 2.70 2.30 2k7zA12 PHE 399 H -0.06 0.07 -0.56 -0.55 8.34 7.23 2k7zA12 PHE 399 HA -0.03 0.19 0.88 -0.75 4.62 4.90 2k7zA12 PHE 399 HB2 -0.05 -0.11 -0.21 -0.04 3.15 2.74 2k7zA12 PHE 399 HB3 -0.05 0.05 -0.15 -0.04 3.06 2.87 2k7zA12 PHE 399 HD2 -0.08 -0.14 -0.06 -0.04 7.28 6.97 2k7zA12 PHE 399 HE2 -0.10 0.06 -0.08 -0.04 7.38 7.22 2k7zA12 PHE 399 HZ -0.08 0.09 0.01 -0.04 7.32 7.31 2k7zA12 LEU 400 H 0.15 0.62 0.29 -0.55 8.37 8.88 2k7zA12 LEU 400 HA 0.10 0.04 0.88 -0.75 4.35 4.62 2k7zA12 LEU 400 HB2 0.05 0.02 0.16 -0.04 1.64 1.84 2k7zA12 LEU 400 HB3 -0.00 -0.14 0.26 -0.04 1.64 1.71 2k7zA12 LEU 400 HG 0.03 -0.02 -0.01 -0.04 1.64 1.60 2k7zA12 LEU 400 HD13 0.03 -0.00 -0.19 -0.04 0.93 0.73 2k7zA12 LEU 400 HD23 0.13 0.02 0.11 -0.04 0.89 1.12 2k7zA12 LEU 401 H 0.09 0.31 0.17 -0.55 8.37 8.39 2k7zA12 LEU 401 HA 0.07 0.23 0.85 -0.75 4.35 4.75 2k7zA12 LEU 401 HB2 -0.05 -0.03 0.02 -0.04 1.64 1.54 2k7zA12 LEU 401 HB3 -0.05 0.03 -0.12 -0.04 1.64 1.46 2k7zA12 LEU 401 HG 0.02 0.11 0.10 -0.04 1.64 1.83 2k7zA12 LEU 401 HD13 -0.08 -0.01 -0.00 -0.04 0.93 0.80 2k7zA12 LEU 401 HD23 0.03 -0.03 -0.24 -0.04 0.89 0.61 2k7zA12 GLY 402 H 0.17 0.59 0.26 -0.55 8.43 8.90 2k7zA12 GLY 402 HA2 0.18 0.12 0.60 -0.51 4.01 4.40 2k7zA12 GLY 402 HA3 0.31 -0.01 0.53 -0.51 4.01 4.32 2k7zA12 MET 403 H 0.07 0.63 0.07 -0.55 8.47 8.70 2k7zA12 MET 403 HA 0.04 0.02 0.48 -0.75 4.52 4.31 2k7zA12 MET 403 HB2 -0.01 0.04 0.10 -0.04 2.15 2.23 2k7zA12 MET 403 HB3 -0.04 0.03 0.04 -0.04 2.03 2.02 2k7zA12 MET 403 HG2 -0.07 -0.09 -0.12 -0.04 2.63 2.32 2k7zA12 MET 403 HG3 -0.14 0.02 0.03 -0.04 2.56 2.42 2k7zA12 MET 403 HE3 -0.65 -0.03 -0.05 -0.04 2.10 1.33 2k7zA12 ALA 404 H 0.03 0.09 0.02 -0.55 8.40 7.99 2k7zA12 ALA 404 HA 0.02 0.21 0.41 -0.75 4.34 4.23 2k7zA12 ALA 404 HB3 -0.00 -0.00 0.05 -0.04 1.41 1.42 2k7zA12 PRO 415 HA -0.00 -0.07 0.18 -0.51 4.44 4.05 2k7zA12 PRO 415 HB2 -0.01 -0.01 0.04 -0.04 2.28 2.26 2k7zA12 PRO 415 HB3 -0.00 -0.00 0.05 -0.04 2.02 2.02 2k7zA12 PRO 415 HG2 -0.01 -0.00 0.10 -0.04 2.03 2.07 2k7zA12 PRO 415 HG3 -0.01 -0.00 0.04 -0.04 2.03 2.02 2k7zA12 PRO 415 HD2 -0.01 -0.00 0.01 -0.04 3.68 3.64 2k7zA12 PRO 415 HD3 -0.00 -0.00 0.03 -0.04 3.65 3.63 2k7zA12 ALA 416 H -0.00 0.16 0.02 -0.55 8.40 8.03 2k7zA12 ALA 416 HA -0.03 0.18 0.80 -0.75 4.34 4.54 2k7zA12 ALA 416 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 2k7zA12 GLU 417 H -0.03 0.29 -0.18 -0.55 8.60 8.14 2k7zA12 GLU 417 HA 0.02 0.11 0.80 -0.75 4.29 4.47 2k7zA12 GLU 417 HB2 0.01 0.02 0.07 -0.04 2.09 2.15 2k7zA12 GLU 417 HB3 0.05 0.02 0.00 -0.04 1.99 2.02 2k7zA12 GLU 417 HG2 0.04 0.13 -0.19 -0.04 2.34 2.29 2k7zA12 GLU 417 HG3 0.01 -0.15 -0.40 -0.04 2.34 1.77 2k7zA12 GLY 418 H -0.12 0.10 -0.00 -0.55 8.43 7.87 2k7zA12 GLY 418 HA2 -0.10 0.06 0.31 -0.51 4.01 3.77 2k7zA12 GLY 418 HA3 -0.13 0.10 0.52 -0.51 4.01 4.00 2k7zA12 THR 419 H -0.36 0.09 0.15 -0.55 8.28 7.61 2k7zA12 THR 419 HA -0.61 0.21 0.79 -0.75 4.39 4.02 2k7zA12 THR 419 HB -0.26 0.05 0.06 -0.04 4.32 4.14 2k7zA12 THR 419 HG23 -0.21 0.01 -0.14 -0.04 1.22 0.83 2k7zA12 TRP 420 H -0.25 0.22 0.11 -0.55 7.97 7.50 2k7zA12 TRP 420 HA -0.09 0.03 0.65 -0.75 4.62 4.45 2k7zA12 TRP 420 HB2 -0.07 0.13 0.16 -0.04 3.23 3.42 2k7zA12 TRP 420 HB3 -0.04 -0.28 0.00 -0.04 3.23 2.88 2k7zA12 TRP 420 HD1 -0.02 -0.05 0.01 -0.04 7.22 7.12 2k7zA12 TRP 420 HE1 -0.02 0.03 -0.02 -0.04 10.20 10.15 2k7zA12 TRP 420 HE3 -0.05 0.02 0.04 -0.04 7.59 7.57 2k7zA12 TRP 420 HZ2 -0.02 0.01 -0.01 -0.04 7.44 7.38 2k7zA12 TRP 420 HZ3 -0.03 0.04 0.01 -0.04 7.13 7.11 2k7zA12 TRP 420 HH2 -0.02 0.02 0.00 -0.04 7.19 7.15 2k7zA12 TYR 421 H 0.08 0.22 0.24 -0.55 8.29 8.27 2k7zA12 TYR 421 HA 0.09 0.21 0.58 -0.75 4.56 4.69 2k7zA12 TYR 421 HB2 0.08 -0.11 0.23 -0.04 3.06 3.21 2k7zA12 TYR 421 HB3 0.06 0.08 0.05 -0.04 2.98 3.14 2k7zA12 TYR 421 HD2 0.05 0.01 0.06 -0.04 7.15 7.23 2k7zA12 TYR 421 HE2 0.01 0.02 0.01 -0.04 6.85 6.86 2k7zA12 ILE 422 H 0.24 0.06 0.16 -0.55 8.25 8.17 2k7zA12 ILE 422 HA 0.09 0.25 0.85 -0.75 4.18 4.61 2k7zA12 ILE 422 HB 0.11 0.00 0.09 -0.04 1.89 2.05 2k7zA12 ILE 422 HG12 0.09 0.07 0.02 -0.04 1.49 1.63 2k7zA12 ILE 422 HG13 0.11 0.13 -0.17 -0.04 1.21 1.24 2k7zA12 ILE 422 HG23 0.04 0.02 0.03 -0.04 0.93 0.97 2k7zA12 ILE 422 HD13 0.13 -0.00 0.02 -0.04 0.88 0.99 2k7zA12 GLN 423 H 0.17 0.00 0.08 -0.55 8.47 8.17 2k7zA12 GLN 423 HA -0.02 0.13 0.34 -0.75 4.36 4.06 2k7zA12 GLN 423 HB2 0.08 -0.04 0.09 -0.04 2.15 2.24 2k7zA12 GLN 423 HB3 -0.16 0.09 0.08 -0.04 2.02 1.99 2k7zA12 GLN 423 HG2 0.24 -0.12 0.15 -0.04 2.40 2.63 2k7zA12 GLN 423 HG3 0.27 0.08 0.07 -0.04 2.39 2.77 2k7zA12 GLN 423 HE21 0.11 -0.17 0.01 -0.04 6.97 6.89 2k7zA12 GLN 423 HE22 0.07 0.10 -0.02 -0.04 7.69 7.80 2k7zA12 SER 424 H 0.07 0.06 -0.46 -0.55 8.46 7.58 2k7zA12 SER 424 HA -0.16 0.16 0.70 -0.75 4.49 4.43 2k7zA12 SER 424 HB2 0.12 0.15 -0.02 -0.04 3.95 4.17 2k7zA12 SER 424 HB3 -0.02 0.06 0.08 -0.04 3.93 4.01 2k7zA12 LEU 425 H 0.00 0.34 -0.47 -0.55 8.37 7.69 2k7zA12 LEU 425 HA -0.01 0.13 0.46 -0.75 4.35 4.18 2k7zA12 LEU 425 HB2 0.03 0.19 0.25 -0.04 1.64 2.07 2k7zA12 LEU 425 HB3 -0.01 0.07 0.26 -0.04 1.64 1.92 2k7zA12 LEU 425 HG -0.13 -0.03 -0.12 -0.04 1.64 1.31 2k7zA12 LEU 425 HD13 -0.02 0.02 0.13 -0.04 0.93 1.02 2k7zA12 LEU 425 HD23 -0.02 0.00 0.06 -0.04 0.89 0.89 2k7zA12 CYS 426 H -0.06 0.28 -0.03 -0.55 8.50 8.15 2k7zA12 CYS 426 HA -0.11 0.09 0.35 -0.75 4.58 4.15 2k7zA12 CYS 426 HB2 -0.06 0.05 0.03 -0.04 2.97 2.94 2k7zA12 CYS 426 HB3 -0.06 0.07 -0.05 -0.04 2.97 2.88 2k7zA12 GLN 427 H -0.09 0.10 -0.35 -0.55 8.47 7.58 2k7zA12 GLN 427 HA -0.09 0.10 0.47 -0.75 4.36 4.08 2k7zA12 GLN 427 HB2 -0.11 0.01 0.07 -0.04 2.15 2.08 2k7zA12 GLN 427 HB3 -0.12 0.01 0.06 -0.04 2.02 1.92 2k7zA12 GLN 427 HG2 -0.12 -0.02 0.02 -0.04 2.40 2.23 2k7zA12 GLN 427 HG3 -0.11 0.05 -0.24 -0.04 2.39 2.05 2k7zA12 GLN 427 HE21 -0.20 0.04 -0.03 -0.04 6.97 6.74 2k7zA12 GLN 427 HE22 -0.42 -0.03 -0.03 -0.04 7.69 7.16 2k7zA12 SER 428 H -0.07 0.31 -0.34 -0.55 8.46 7.81 2k7zA12 SER 428 HA -0.04 0.07 0.67 -0.75 4.49 4.43 2k7zA12 SER 428 HB2 -0.02 0.11 0.23 -0.04 3.95 4.23 2k7zA12 SER 428 HB3 -0.01 -0.01 -0.03 -0.04 3.93 3.84 2k7zA12 LEU 429 H -0.07 0.57 0.02 -0.55 8.37 8.35 2k7zA12 LEU 429 HA -0.04 0.06 0.28 -0.75 4.35 3.90 2k7zA12 LEU 429 HB2 -0.05 -0.05 -0.01 -0.04 1.64 1.49 2k7zA12 LEU 429 HB3 -0.07 0.09 0.06 -0.04 1.64 1.68 2k7zA12 LEU 429 HG -0.15 0.11 0.06 -0.04 1.64 1.62 2k7zA12 LEU 429 HD13 -0.26 -0.01 -0.25 -0.04 0.93 0.37 2k7zA12 LEU 429 HD23 -0.17 -0.01 -0.09 -0.04 0.89 0.57 2k7zA12 ARG 430 H -0.12 0.35 -0.31 -0.55 8.46 7.84 2k7zA12 ARG 430 HA -0.19 0.08 0.48 -0.75 4.34 3.96 2k7zA12 ARG 430 HB2 -0.15 -0.01 0.09 -0.04 1.90 1.78 2k7zA12 ARG 430 HB3 -0.16 0.08 0.13 -0.04 1.80 1.81 2k7zA12 ARG 430 HG2 -0.10 0.03 0.10 -0.04 1.67 1.66 2k7zA12 ARG 430 HG3 -0.09 0.04 -0.13 -0.04 1.67 1.44 2k7zA12 ARG 430 HD2 -0.09 -0.04 -0.04 -0.04 3.22 3.00 2k7zA12 ARG 430 HD3 -0.09 -0.01 -0.06 -0.04 3.22 3.01 2k7zA12 GLU 431 H -0.07 0.26 -0.32 -0.55 8.60 7.92 2k7zA12 GLU 431 HA -0.05 0.06 0.50 -0.75 4.29 4.05 2k7zA12 GLU 431 HB2 -0.05 0.14 0.17 -0.04 2.09 2.31 2k7zA12 GLU 431 HB3 -0.04 -0.05 0.08 -0.04 1.99 1.94 2k7zA12 GLU 431 HG2 -0.07 -0.01 0.04 -0.04 2.34 2.27 2k7zA12 GLU 431 HG3 -0.05 -0.04 0.06 -0.04 2.34 2.27 2k7zA12 ARG 432 H -0.04 0.34 -0.31 -0.55 8.46 7.89 2k7zA12 ARG 432 HA -0.01 0.15 0.64 -0.75 4.34 4.36 2k7zA12 ARG 432 HB2 -0.01 0.10 -0.02 -0.04 1.90 1.93 2k7zA12 ARG 432 HB3 0.01 -0.10 0.06 -0.04 1.80 1.73 2k7zA12 ARG 432 HG2 0.00 -0.07 -0.07 -0.04 1.67 1.49 2k7zA12 ARG 432 HG3 -0.00 0.04 -0.09 -0.04 1.67 1.58 2k7zA12 ARG 432 HD2 -0.01 -0.04 -0.13 -0.04 3.22 2.99 2k7zA12 ARG 432 HD3 -0.02 -0.04 -0.27 -0.04 3.22 2.85 2k7zA12 CYS 433 H -0.04 0.20 -0.36 -0.55 8.50 7.74 2k7zA12 CYS 433 HA 0.02 -0.07 0.49 -0.75 4.58 4.26 2k7zA12 CYS 433 HB2 -0.08 0.21 0.18 -0.04 2.97 3.24 2k7zA12 CYS 433 HB3 -0.00 -0.02 0.02 -0.04 2.97 2.93 2k7zA12 PRO 434 HA 0.06 0.16 0.44 -0.51 4.44 4.59 2k7zA12 PRO 434 HB2 0.02 -0.02 0.15 -0.04 2.28 2.38 2k7zA12 PRO 434 HB3 0.02 0.07 0.11 -0.04 2.02 2.19 2k7zA12 PRO 434 HG2 -0.00 0.03 0.07 -0.04 2.03 2.08 2k7zA12 PRO 434 HG3 -0.02 0.01 0.07 -0.04 2.03 2.05 2k7zA12 PRO 434 HD2 -0.02 0.08 -0.16 -0.04 3.68 3.54 2k7zA12 PRO 434 HD3 -0.02 0.13 0.11 -0.04 3.65 3.82 2k7zA12 ARG 435 H 0.05 0.47 0.35 -0.55 8.46 8.78 2k7zA12 ARG 435 HA 0.03 0.12 0.74 -0.75 4.34 4.48 2k7zA12 ARG 435 HB2 0.04 0.03 0.05 -0.04 1.90 1.97 2k7zA12 ARG 435 HB3 0.03 -0.12 -0.00 -0.04 1.80 1.66 2k7zA12 ARG 435 HG2 0.01 0.02 -0.09 -0.04 1.67 1.58 2k7zA12 ARG 435 HG3 0.02 0.03 -0.79 -0.04 1.67 0.89 2k7zA12 ARG 435 HD2 0.01 -0.03 -0.03 -0.04 3.22 3.12 2k7zA12 ARG 435 HD3 0.02 0.10 -0.01 -0.04 3.22 3.29 2k7zA12 GLY 436 H 0.06 0.27 0.27 -0.55 8.43 8.48 2k7zA12 GLY 436 HA2 0.06 0.11 0.40 -0.51 4.01 4.06 2k7zA12 GLY 436 HA3 0.04 0.11 0.72 -0.51 4.01 4.36 2k7zA12 ASP 437 H 0.04 0.07 -0.15 -0.55 8.40 7.81 2k7zA12 ASP 437 HA 0.03 0.05 0.46 -0.75 4.63 4.42 2k7zA12 ASP 437 HB2 0.04 0.07 -0.02 -0.04 2.71 2.76 2k7zA12 ASP 437 HB3 0.03 -0.07 0.05 -0.04 2.70 2.67 2k7zA12 ASP 438 H 0.03 0.11 0.12 -0.55 8.40 8.12 2k7zA12 ASP 438 HA 0.08 0.03 0.63 -0.75 4.63 4.62 2k7zA12 ASP 438 HB2 0.04 0.10 0.05 -0.04 2.71 2.86 2k7zA12 ASP 438 HB3 0.03 0.04 0.01 -0.04 2.70 2.74 2k7zA12 ILE 439 H 0.15 0.17 0.32 -0.55 8.25 8.35 2k7zA12 ILE 439 HA 0.14 0.12 0.40 -0.75 4.18 4.09 2k7zA12 ILE 439 HB 0.23 0.06 0.13 -0.04 1.89 2.28 2k7zA12 ILE 439 HG12 0.29 -0.03 -0.06 -0.04 1.49 1.64 2k7zA12 ILE 439 HG13 0.21 0.01 0.09 -0.04 1.21 1.49 2k7zA12 ILE 439 HG23 0.19 0.03 -0.11 -0.04 0.93 1.00 2k7zA12 ILE 439 HD13 0.12 0.02 -0.04 -0.04 0.88 0.93 2k7zA12 LEU 440 H 0.09 0.20 -0.31 -0.55 8.37 7.80 2k7zA12 LEU 440 HA 0.09 0.07 0.36 -0.75 4.35 4.11 2k7zA12 LEU 440 HB2 -0.01 0.02 -0.05 -0.04 1.64 1.56 2k7zA12 LEU 440 HB3 -0.02 0.04 0.09 -0.04 1.64 1.71 2k7zA12 LEU 440 HG 0.06 0.19 0.14 -0.04 1.64 1.99 2k7zA12 LEU 440 HD13 0.01 -0.01 0.07 -0.04 0.93 0.96 2k7zA12 LEU 440 HD23 0.06 -0.01 -0.01 -0.04 0.89 0.90 2k7zA12 THR 441 H 0.05 0.51 -0.40 -0.55 8.28 7.90 2k7zA12 THR 441 HA 0.02 0.17 0.85 -0.75 4.39 4.68 2k7zA12 THR 441 HB 0.02 0.05 0.08 -0.04 4.32 4.42 2k7zA12 THR 441 HG23 0.01 0.01 -0.04 -0.04 1.22 1.16 2k7zA12 ILE 442 H 0.08 0.28 -0.00 -0.55 8.25 8.05 2k7zA12 ILE 442 HA 0.04 0.07 0.23 -0.75 4.18 3.77 2k7zA12 ILE 442 HB 0.11 0.06 0.11 -0.04 1.89 2.12 2k7zA12 ILE 442 HG12 0.08 0.05 -0.16 -0.04 1.49 1.41 2k7zA12 ILE 442 HG13 0.09 0.05 -0.08 -0.04 1.21 1.23 2k7zA12 ILE 442 HG23 0.02 0.02 -0.08 -0.04 0.93 0.85 2k7zA12 ILE 442 HD13 0.04 0.01 -0.11 -0.04 0.88 0.78 2k7zA12 LEU 443 H 0.11 0.22 -0.31 -0.55 8.37 7.84 2k7zA12 LEU 443 HA 0.04 0.14 0.76 -0.75 4.35 4.54 2k7zA12 LEU 443 HB2 0.09 0.00 0.08 -0.04 1.64 1.78 2k7zA12 LEU 443 HB3 0.14 -0.01 0.04 -0.04 1.64 1.77 2k7zA12 LEU 443 HG 0.14 0.07 -0.20 -0.04 1.64 1.61 2k7zA12 LEU 443 HD13 0.27 -0.01 -0.01 -0.04 0.93 1.14 2k7zA12 LEU 443 HD23 0.22 0.05 -0.03 -0.04 0.89 1.09 2k7zA12 THR 444 H 0.07 0.14 -0.35 -0.55 8.28 7.60 2k7zA12 THR 444 HA 0.08 0.09 0.51 -0.75 4.39 4.31 2k7zA12 THR 444 HB 0.06 0.01 0.12 -0.04 4.32 4.47 2k7zA12 THR 444 HG23 0.07 -0.01 0.02 -0.04 1.22 1.25 2k7zA12 GLU 445 H 0.04 0.48 -0.08 -0.55 8.60 8.49 2k7zA12 GLU 445 HA 0.03 0.09 0.55 -0.75 4.29 4.21 2k7zA12 GLU 445 HB2 0.02 -0.03 0.02 -0.04 2.09 2.06 2k7zA12 GLU 445 HB3 0.03 -0.01 -0.01 -0.04 1.99 1.95 2k7zA12 GLU 445 HG2 0.02 -0.07 -0.13 -0.04 2.34 2.13 2k7zA12 GLU 445 HG3 0.03 0.09 -0.07 -0.04 2.34 2.35 2k7zA12 VAL 446 H 0.04 0.14 -0.49 -0.55 8.24 7.38 2k7zA12 VAL 446 HA 0.03 0.05 0.12 -0.75 4.13 3.58 2k7zA12 VAL 446 HB 0.05 0.15 0.05 -0.04 2.12 2.34 2k7zA12 VAL 446 HG13 0.04 -0.02 -0.15 -0.04 0.97 0.80 2k7zA12 VAL 446 HG23 0.01 -0.01 0.11 -0.04 0.95 1.02 2k7zA12 PRO 464 HA 0.06 -0.07 0.18 -0.51 4.44 4.10 2k7zA12 PRO 464 HB2 0.09 -0.08 -0.03 -0.04 2.28 2.22 2k7zA12 PRO 464 HB3 0.08 -0.02 0.03 -0.04 2.02 2.08 2k7zA12 PRO 464 HG2 0.08 -0.02 -0.02 -0.04 2.03 2.04 2k7zA12 PRO 464 HG3 0.08 0.06 0.16 -0.04 2.03 2.29 2k7zA12 PRO 464 HD2 0.05 0.02 0.12 -0.04 3.68 3.83 2k7zA12 PRO 464 HD3 0.06 -0.01 0.31 -0.04 3.65 3.98 2k7zA12 GLN 465 H 0.07 0.08 -0.01 -0.55 8.47 8.06 2k7zA12 GLN 465 HA 0.13 0.23 0.88 -0.75 4.36 4.85 2k7zA12 GLN 465 HB2 0.05 -0.03 -0.04 -0.04 2.15 2.08 2k7zA12 GLN 465 HB3 0.04 -0.05 0.18 -0.04 2.02 2.15 2k7zA12 GLN 465 HG2 0.01 0.10 0.01 -0.04 2.40 2.47 2k7zA12 GLN 465 HG3 0.05 0.02 0.05 -0.04 2.39 2.47 2k7zA12 GLN 465 HE21 0.02 0.01 -0.00 -0.04 6.97 6.96 2k7zA12 GLN 465 HE22 0.00 -0.03 0.01 -0.04 7.69 7.63 2k7zA12 PRO 466 HA 0.12 0.06 0.44 -0.51 4.44 4.54 2k7zA12 PRO 466 HB2 0.26 0.04 -0.04 -0.04 2.28 2.50 2k7zA12 PRO 466 HB3 0.16 0.02 0.06 -0.04 2.02 2.21 2k7zA12 PRO 466 HG2 0.38 0.01 -0.04 -0.04 2.03 2.34 2k7zA12 PRO 466 HG3 0.13 0.05 0.01 -0.04 2.03 2.18 2k7zA12 PRO 466 HD2 0.26 0.19 0.08 -0.04 3.68 4.17 2k7zA12 PRO 466 HD3 0.14 0.07 -0.30 -0.04 3.65 3.52 2k7zA12 THR 467 H 0.10 0.15 0.20 -0.55 8.28 8.18 2k7zA12 THR 467 HA -0.16 0.15 0.74 -0.75 4.39 4.36 2k7zA12 THR 467 HB 0.01 0.11 0.29 -0.04 4.32 4.69 2k7zA12 THR 467 HG23 -0.08 -0.01 -0.01 -0.04 1.22 1.08 2k7zA12 PHE 468 H -0.56 0.35 0.20 -0.55 8.34 7.78 2k7zA12 PHE 468 HA 0.02 0.00 0.78 -0.75 4.62 4.68 2k7zA12 PHE 468 HB2 0.02 -0.07 0.04 -0.04 3.15 3.10 2k7zA12 PHE 468 HB3 0.04 0.06 -0.10 -0.04 3.06 3.02 2k7zA12 PHE 468 HD2 0.02 -0.04 -0.31 -0.04 7.28 6.90 2k7zA12 PHE 468 HE2 0.02 0.02 -0.01 -0.04 7.38 7.37 2k7zA12 PHE 468 HZ 0.02 -0.01 0.01 -0.04 7.32 7.30 2k7zA12 THR 469 H 0.10 0.26 0.16 -0.55 8.28 8.25 2k7zA12 THR 469 HA 0.00 0.25 0.80 -0.75 4.39 4.69 2k7zA12 THR 469 HB -0.02 0.05 0.28 -0.04 4.32 4.58 2k7zA12 THR 469 HG23 -0.04 0.03 -0.20 -0.04 1.22 0.97 2k7zA12 LEU 470 H 0.14 0.09 -0.03 -0.55 8.37 8.03 2k7zA12 LEU 470 HA -0.02 -0.07 0.55 -0.75 4.35 4.07 2k7zA12 LEU 470 HB2 0.09 0.01 0.07 -0.04 1.64 1.77 2k7zA12 LEU 470 HB3 0.03 0.16 -0.02 -0.04 1.64 1.77 2k7zA12 LEU 470 HG 0.04 -0.08 -0.41 -0.04 1.64 1.14 2k7zA12 LEU 470 HD13 0.06 0.01 -0.05 -0.04 0.93 0.91 2k7zA12 LEU 470 HD23 -0.02 0.01 -0.13 -0.04 0.89 0.72 2k7zA12 ARG 471 H -0.01 0.09 0.22 -0.55 8.46 8.21 2k7zA12 ARG 471 HA 0.02 0.18 0.66 -0.75 4.34 4.45 2k7zA12 ARG 471 HB2 -0.01 0.01 0.05 -0.04 1.90 1.90 2k7zA12 ARG 471 HB3 -0.00 0.02 0.10 -0.04 1.80 1.88 2k7zA12 ARG 471 HG2 -0.04 -0.06 0.11 -0.04 1.67 1.65 2k7zA12 ARG 471 HG3 -0.02 0.02 0.03 -0.04 1.67 1.66 2k7zA12 ARG 471 HD2 0.01 0.02 -0.39 -0.04 3.22 2.82 2k7zA12 ARG 471 HD3 -0.02 0.02 -0.03 -0.04 3.22 3.16 2k7zA12 LYS 472 H 0.02 -0.06 -0.02 -0.55 8.42 7.80 2k7zA12 LYS 472 HA 0.01 0.23 0.70 -0.75 4.32 4.51 2k7zA12 LYS 472 HB2 0.10 -0.05 -0.10 -0.04 1.87 1.78 2k7zA12 LYS 472 HB3 0.06 0.11 0.02 -0.04 1.79 1.94 2k7zA12 LYS 472 HG2 0.01 0.06 -0.23 -0.04 1.46 1.25 2k7zA12 LYS 472 HG3 0.05 -0.05 -0.04 -0.04 1.46 1.38 2k7zA12 LYS 472 HD2 0.04 0.02 -0.01 -0.04 1.69 1.69 2k7zA12 LYS 472 HD3 0.15 -0.02 -0.01 -0.04 1.68 1.76 2k7zA12 LYS 472 HE2 -0.05 0.07 0.04 -0.04 2.99 3.01 2k7zA12 LYS 472 HE3 -0.07 -0.03 -0.01 -0.04 2.99 2.84 2k7zA12 LYS 473 H 0.02 0.27 -0.12 -0.55 8.42 8.04 2k7zA12 LYS 473 HA 0.01 0.12 0.63 -0.75 4.32 4.33 2k7zA12 LYS 473 HB2 -0.00 0.08 -0.04 -0.04 1.87 1.87 2k7zA12 LYS 473 HB3 0.00 -0.05 0.03 -0.04 1.79 1.74 2k7zA12 LYS 473 HG2 0.01 -0.05 -0.18 -0.04 1.46 1.20 2k7zA12 LYS 473 HG3 0.01 0.02 -0.12 -0.04 1.46 1.33 2k7zA12 LYS 473 HD2 -0.01 0.05 -0.03 -0.04 1.69 1.66 2k7zA12 LYS 473 HD3 -0.00 -0.05 0.01 -0.04 1.68 1.61 2k7zA12 LYS 473 HE2 0.01 0.05 -0.02 -0.04 2.99 2.98 2k7zA12 LYS 473 HE3 0.01 -0.05 -0.08 -0.04 2.99 2.84 2k7zA12 LEU 474 H 0.03 0.25 0.09 -0.55 8.37 8.20 2k7zA12 LEU 474 HA 0.03 0.10 0.71 -0.75 4.35 4.45 2k7zA12 LEU 474 HB2 0.04 0.04 0.06 -0.04 1.64 1.74 2k7zA12 LEU 474 HB3 0.07 -0.07 0.09 -0.04 1.64 1.69 2k7zA12 LEU 474 HG 0.03 0.05 -0.07 -0.04 1.64 1.60 2k7zA12 LEU 474 HD13 -0.04 0.01 -0.09 -0.04 0.93 0.77 2k7zA12 LEU 474 HD23 0.05 -0.01 -0.13 -0.04 0.89 0.76 2k7zA12 VAL 475 H -0.00 0.27 0.22 -0.55 8.24 8.17 2k7zA12 VAL 475 HA 0.10 -0.12 0.93 -0.75 4.13 4.28 2k7zA12 VAL 475 HB 0.00 0.01 0.00 -0.04 2.12 2.09 2k7zA12 VAL 475 HG13 0.04 0.07 -0.28 -0.04 0.97 0.76 2k7zA12 VAL 475 HG23 0.03 -0.02 -0.31 -0.04 0.95 0.61 2k7zA12 PHE 476 H 0.20 0.26 0.16 -0.55 8.34 8.40 2k7zA12 PHE 476 HA -0.01 0.19 0.90 -0.75 4.62 4.95 2k7zA12 PHE 476 HB2 0.07 -0.09 0.09 -0.04 3.15 3.19 2k7zA12 PHE 476 HB3 0.07 0.07 -0.04 -0.04 3.06 3.12 2k7zA12 PHE 476 HD2 -0.03 -0.08 -0.12 -0.04 7.28 7.02 2k7zA12 PHE 476 HE2 -0.13 0.07 -0.04 -0.04 7.38 7.24 2k7zA12 PHE 476 HZ -0.18 -0.02 -0.30 -0.04 7.32 6.77 2k7zA12 PRO 477 HA 0.06 0.12 0.48 -0.51 4.44 4.60 2k7zA12 PRO 477 HB2 0.03 0.02 -0.06 -0.04 2.28 2.22 2k7zA12 PRO 477 HB3 -0.00 0.01 0.04 -0.04 2.02 2.02 2k7zA12 PRO 477 HG2 -0.03 -0.03 0.15 -0.04 2.03 2.07 2k7zA12 PRO 477 HG3 -0.08 0.17 0.10 -0.04 2.03 2.19 2k7zA12 PRO 477 HD2 -0.23 0.10 0.26 -0.04 3.68 3.77 2k7zA12 PRO 477 HD3 -0.16 0.13 0.11 -0.04 3.65 3.69 2k7zA12 SER 478 H 0.11 0.08 -0.02 -0.55 8.46 8.08 2k7zA12 SER 478 HA -0.01 0.07 0.31 -0.75 4.49 4.10 2k7zA12 SER 478 HB2 0.26 0.16 -0.27 -0.04 3.95 4.07 2k7zA12 SER 478 HB3 0.57 0.03 0.09 -0.04 3.93 4.58 2k7zA12 ASP 479 H 0.11 0.05 -0.11 -0.55 8.40 7.90 2k7zA12 ASP 479 HA 0.14 0.16 0.20 -0.75 4.63 4.37 2k7zA12 ASP 479 HB2 0.08 0.00 0.02 -0.04 2.71 2.77 2k7zA12 ASP 479 HB3 0.07 -0.02 -0.05 -0.04 2.70 2.66