============================================================================= 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 -10.060 12.655 4.293 -99.200 -91.000 TYR 12 0.840 8.444 7.782 8.107 -99.200 -91.000 HIS 19 0.900 21.865 10.096 -9.893 -99.200 -91.000 PHE 21 1.000 25.407 5.327 -18.788 -99.200 -91.000 HIS 32 0.900 17.216 2.974 -26.567 -99.200 -91.000 HIS 41 0.900 18.083 17.517 -7.270 -99.200 -91.000 PHE 51 1.000 4.313 8.944 -3.858 -99.200 -91.000 HIS 55 0.900 2.203 20.189 1.102 -99.200 -91.000 PHE 56 1.000 4.929 11.371 1.587 -99.200 -91.000 HIS 61 0.900 17.910 7.556 0.678 -99.200 -91.000 TYR 70 0.840 21.806 -7.608 -0.141 -99.200 -91.000 TYR 76 0.840 11.893 -1.723 3.807 -99.200 -91.000 HIS 81 0.900 5.557 2.549 10.898 -99.200 -91.000 PHE 87 1.000 6.681 1.655 4.266 -99.200 -91.000 HIS 94 0.900 11.746 -0.669 -15.106 -99.200 -91.000 TYR 101 0.840 26.196 -11.571 -11.801 -99.200 -91.000 TYR 111 0.840 9.381 -15.113 -5.872 -99.200 -91.000 PHE 117 1.000 6.037 -11.146 3.848 -99.200 -91.000 PHE 132 1.000 3.503 -4.584 -3.295 -99.200 -91.000 PHE 133 1.000 1.553 3.275 -5.116 -99.200 -91.000 TYR 142 0.840 7.408 -8.679 -31.042 -99.200 -91.000 TYR 157 0.840 29.623 -11.480 -23.662 -99.200 -91.000 TYR 169 0.840 6.600 -9.783 -9.616 -99.200 -91.000 PHE 176 1.000 -0.809 -8.126 -0.519 -99.200 -91.000 TRP 187 1.040 -0.232 3.087 -21.711 -99.200 -91.000 TRP6 187 1.020 -0.550 5.338 -22.480 -99.200 -91.000 TYR 188 0.840 0.580 -5.106 -20.451 -99.200 -91.000 PHE 218 1.000 -9.506 -4.539 -5.169 -99.200 -91.000 PHE 226 1.000 -0.385 6.867 1.836 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k7zA17 LYS 224 H 0.03 0.10 0.12 -0.55 8.42 8.12 2k7zA17 LYS 224 HA 0.02 -0.01 0.21 -0.75 4.32 3.78 2k7zA17 LYS 224 HB2 0.04 0.08 0.04 -0.04 1.87 1.99 2k7zA17 LYS 224 HB3 0.08 -0.12 -0.10 -0.04 1.79 1.61 2k7zA17 LYS 224 HG2 0.04 0.03 0.03 -0.04 1.46 1.52 2k7zA17 LYS 224 HG3 0.03 -0.16 0.13 -0.04 1.46 1.41 2k7zA17 LYS 224 HD2 0.02 0.02 0.06 -0.04 1.69 1.75 2k7zA17 LYS 224 HD3 0.02 0.05 0.04 -0.04 1.68 1.74 2k7zA17 LYS 224 HE2 0.01 0.05 0.02 -0.04 2.99 3.02 2k7zA17 LYS 224 HE3 0.01 0.00 0.02 -0.04 2.99 2.98 2k7zA17 VAL 225 H 0.02 0.11 0.10 -0.55 8.24 7.92 2k7zA17 VAL 225 HA -0.05 0.17 0.49 -0.75 4.13 3.99 2k7zA17 VAL 225 HB -0.01 -0.15 -0.04 -0.04 2.12 1.88 2k7zA17 VAL 225 HG13 -0.16 0.06 0.00 -0.04 0.97 0.83 2k7zA17 VAL 225 HG23 -0.03 0.06 -0.00 -0.04 0.95 0.94 2k7zA17 TYR 226 H 0.12 -0.02 -0.14 -0.55 8.29 7.70 2k7zA17 TYR 226 HA -0.04 0.14 0.31 -0.75 4.56 4.22 2k7zA17 TYR 226 HB2 -0.01 -0.06 0.03 -0.04 3.06 2.98 2k7zA17 TYR 226 HB3 -0.01 -0.06 -0.02 -0.04 2.98 2.85 2k7zA17 TYR 226 HD2 -0.00 -0.04 -0.15 -0.04 7.15 6.92 2k7zA17 TYR 226 HE2 0.00 -0.03 -0.06 -0.04 6.85 6.72 2k7zA17 GLN 227 H 0.01 0.10 -0.80 -0.55 8.47 7.24 2k7zA17 GLN 227 HA -0.05 0.04 0.45 -0.75 4.36 4.04 2k7zA17 GLN 227 HB2 0.02 -0.08 0.09 -0.04 2.15 2.14 2k7zA17 GLN 227 HB3 -0.02 0.13 0.19 -0.04 2.02 2.28 2k7zA17 GLN 227 HG2 -0.02 -0.02 -0.04 -0.04 2.40 2.27 2k7zA17 GLN 227 HG3 -0.02 -0.03 -0.01 -0.04 2.39 2.29 2k7zA17 GLN 227 HE21 -0.01 0.05 0.02 -0.04 6.97 6.99 2k7zA17 GLN 227 HE22 0.00 0.01 0.03 -0.04 7.69 7.69 2k7zA17 MET 228 H -0.07 0.12 0.02 -0.55 8.47 7.99 2k7zA17 MET 228 HA -0.06 0.03 0.23 -0.75 4.52 3.96 2k7zA17 MET 228 HB2 -0.14 0.31 -0.27 -0.04 2.15 2.01 2k7zA17 MET 228 HB3 -0.07 -0.07 0.12 -0.04 2.03 1.97 2k7zA17 MET 228 HG2 -0.12 -0.06 0.06 -0.04 2.63 2.47 2k7zA17 MET 228 HG3 -0.16 0.17 0.01 -0.04 2.56 2.54 2k7zA17 MET 228 HE3 -0.56 -0.00 0.09 -0.04 2.10 1.59 2k7zA17 LYS 229 H -0.05 0.00 -0.94 -0.55 8.42 6.88 2k7zA17 LYS 229 HA -0.03 -0.01 0.20 -0.75 4.32 3.73 2k7zA17 LYS 229 HB2 -0.01 -0.12 0.06 -0.04 1.87 1.76 2k7zA17 LYS 229 HB3 -0.01 -0.02 -0.03 -0.04 1.79 1.70 2k7zA17 LYS 229 HG2 -0.05 0.07 -0.02 -0.04 1.46 1.42 2k7zA17 LYS 229 HG3 -0.01 -0.07 0.01 -0.04 1.46 1.36 2k7zA17 LYS 229 HD2 -0.02 -0.06 0.02 -0.04 1.69 1.59 2k7zA17 LYS 229 HD3 -0.06 -0.11 0.03 -0.04 1.68 1.49 2k7zA17 LYS 229 HE2 -0.24 0.39 0.15 -0.04 2.99 3.25 2k7zA17 LYS 229 HE3 -0.04 -0.12 0.06 -0.04 2.99 2.85 2k7zA17 SER 230 H -0.01 0.02 -0.05 -0.55 8.46 7.87 2k7zA17 SER 230 HA 0.01 0.01 0.51 -0.75 4.49 4.26 2k7zA17 SER 230 HB2 0.00 0.02 0.05 -0.04 3.95 3.98 2k7zA17 SER 230 HB3 0.00 -0.06 0.10 -0.04 3.93 3.93 2k7zA17 LYS 231 H 0.01 0.32 0.31 -0.55 8.42 8.51 2k7zA17 LYS 231 HA 0.03 -0.01 0.38 -0.75 4.32 3.96 2k7zA17 LYS 231 HB2 0.02 0.03 -0.14 -0.04 1.87 1.74 2k7zA17 LYS 231 HB3 0.04 0.15 0.08 -0.04 1.79 2.02 2k7zA17 LYS 231 HG2 0.03 -0.02 0.03 -0.04 1.46 1.46 2k7zA17 LYS 231 HG3 0.03 0.01 0.11 -0.04 1.46 1.57 2k7zA17 LYS 231 HD2 0.02 -0.01 -0.09 -0.04 1.69 1.56 2k7zA17 LYS 231 HD3 0.02 -0.04 0.00 -0.04 1.68 1.62 2k7zA17 LYS 231 HE2 0.01 -0.01 0.04 -0.04 2.99 2.99 2k7zA17 LYS 231 HE3 0.02 0.06 0.12 -0.04 2.99 3.14 2k7zA17 PRO 232 HA 0.08 0.14 0.51 -0.51 4.44 4.66 2k7zA17 PRO 232 HB2 0.17 -0.14 0.11 -0.04 2.28 2.39 2k7zA17 PRO 232 HB3 0.14 0.29 0.23 -0.04 2.02 2.63 2k7zA17 PRO 232 HG2 0.10 -0.01 0.11 -0.04 2.03 2.18 2k7zA17 PRO 232 HG3 0.08 0.04 0.12 -0.04 2.03 2.23 2k7zA17 PRO 232 HD2 0.05 0.03 0.24 -0.04 3.68 3.97 2k7zA17 PRO 232 HD3 0.06 0.12 0.21 -0.04 3.65 3.99 2k7zA17 ARG 233 H 0.06 0.12 0.23 -0.55 8.46 8.32 2k7zA17 ARG 233 HA 0.05 0.15 0.67 -0.75 4.34 4.46 2k7zA17 ARG 233 HB2 -0.05 -0.01 0.06 -0.04 1.90 1.85 2k7zA17 ARG 233 HB3 -0.05 -0.09 0.14 -0.04 1.80 1.77 2k7zA17 ARG 233 HG2 0.00 0.29 -0.50 -0.04 1.67 1.42 2k7zA17 ARG 233 HG3 -0.03 -0.14 -0.06 -0.04 1.67 1.40 2k7zA17 ARG 233 HD2 -0.03 -0.09 0.03 -0.04 3.22 3.09 2k7zA17 ARG 233 HD3 0.00 0.12 0.02 -0.04 3.22 3.32 2k7zA17 GLY 234 H 0.11 -0.01 0.15 -0.55 8.43 8.13 2k7zA17 GLY 234 HA2 -0.13 0.11 0.46 -0.51 4.01 3.95 2k7zA17 GLY 234 HA3 -0.49 0.01 0.25 -0.51 4.01 3.26 2k7zA17 TYR 235 H 0.06 0.32 0.14 -0.55 8.29 8.25 2k7zA17 TYR 235 HA 0.15 0.17 0.80 -0.75 4.56 4.92 2k7zA17 TYR 235 HB2 0.05 0.15 0.05 -0.04 3.06 3.26 2k7zA17 TYR 235 HB3 0.23 -0.07 0.09 -0.04 2.98 3.19 2k7zA17 TYR 235 HD2 0.13 0.04 -0.26 -0.04 7.15 7.03 2k7zA17 TYR 235 HE2 0.07 -0.02 -0.06 -0.04 6.85 6.79 2k7zA17 CYS 236 H 0.16 0.48 0.16 -0.55 8.50 8.75 2k7zA17 CYS 236 HA -0.38 0.27 0.94 -0.75 4.58 4.66 2k7zA17 CYS 236 HB2 -0.27 -0.01 -0.15 -0.04 2.97 2.50 2k7zA17 CYS 236 HB3 0.04 -0.01 -0.04 -0.04 2.97 2.91 2k7zA17 LEU 237 H -0.23 0.49 0.27 -0.55 8.37 8.36 2k7zA17 LEU 237 HA 0.02 0.13 0.89 -0.75 4.35 4.63 2k7zA17 LEU 237 HB2 0.07 -0.02 0.27 -0.04 1.64 1.91 2k7zA17 LEU 237 HB3 0.16 -0.02 0.01 -0.04 1.64 1.75 2k7zA17 LEU 237 HG 0.47 -0.01 -0.01 -0.04 1.64 2.04 2k7zA17 LEU 237 HD13 0.20 0.01 -0.02 -0.04 0.93 1.08 2k7zA17 LEU 237 HD23 0.24 0.04 -0.19 -0.04 0.89 0.94 2k7zA17 ILE 238 H 0.00 0.33 0.24 -0.55 8.25 8.27 2k7zA17 ILE 238 HA 0.01 0.33 0.99 -0.75 4.18 4.76 2k7zA17 ILE 238 HB -0.04 -0.02 0.03 -0.04 1.89 1.82 2k7zA17 ILE 238 HG12 -0.05 0.06 -0.15 -0.04 1.49 1.30 2k7zA17 ILE 238 HG13 -0.12 -0.03 -0.36 -0.04 1.21 0.66 2k7zA17 ILE 238 HG23 0.03 -0.01 -0.13 -0.04 0.93 0.77 2k7zA17 ILE 238 HD13 -0.01 -0.01 -0.21 -0.04 0.88 0.61 2k7zA17 ILE 239 H 0.06 0.53 0.32 -0.55 8.25 8.61 2k7zA17 ILE 239 HA 0.09 0.17 0.95 -0.75 4.18 4.63 2k7zA17 ILE 239 HB 0.07 -0.05 0.20 -0.04 1.89 2.06 2k7zA17 ILE 239 HG12 0.06 -0.05 -0.05 -0.04 1.49 1.41 2k7zA17 ILE 239 HG13 0.09 0.05 -0.06 -0.04 1.21 1.25 2k7zA17 ILE 239 HG23 0.04 -0.03 -0.11 -0.04 0.93 0.79 2k7zA17 ILE 239 HD13 0.11 0.07 -0.30 -0.04 0.88 0.72 2k7zA17 ASN 240 H 0.03 0.61 0.30 -0.55 8.53 8.92 2k7zA17 ASN 240 HA 0.04 0.14 0.83 -0.75 4.76 5.02 2k7zA17 ASN 240 HB2 0.03 0.09 -0.14 -0.04 2.88 2.83 2k7zA17 ASN 240 HB3 -0.05 -0.14 0.02 -0.04 2.79 2.59 2k7zA17 ASN 240 HD21 0.16 -0.06 -0.05 -0.04 7.03 7.04 2k7zA17 ASN 240 HD22 0.14 -0.02 -0.01 -0.04 7.74 7.80 2k7zA17 ASN 241 H 0.05 0.28 0.21 -0.55 8.53 8.52 2k7zA17 ASN 241 HA -0.05 0.05 0.82 -0.75 4.76 4.83 2k7zA17 ASN 241 HB2 0.04 -0.09 0.04 -0.04 2.88 2.83 2k7zA17 ASN 241 HB3 0.03 0.16 -0.13 -0.04 2.79 2.82 2k7zA17 ASN 241 HD21 0.08 0.30 0.06 -0.04 7.03 7.43 2k7zA17 ASN 241 HD22 0.09 0.02 -0.04 -0.04 7.74 7.77 2k7zA17 HIS 242 H 0.06 0.15 0.14 -0.55 8.41 8.22 2k7zA17 HIS 242 HA 0.07 0.23 0.79 -0.75 4.63 4.96 2k7zA17 HIS 242 HB2 0.02 0.01 0.12 -0.04 3.26 3.37 2k7zA17 HIS 242 HB3 0.03 0.07 0.18 -0.04 3.20 3.44 2k7zA17 HIS 242 HD2 0.03 0.09 -0.06 -0.04 6.97 6.98 2k7zA17 HIS 242 HE1 0.07 0.01 -0.12 -0.04 7.75 7.67 2k7zA17 ASN 243 H 0.09 0.11 -0.08 -0.55 8.53 8.11 2k7zA17 ASN 243 HA -0.18 0.23 0.87 -0.75 4.76 4.93 2k7zA17 ASN 243 HB2 -0.01 -0.04 0.07 -0.04 2.88 2.85 2k7zA17 ASN 243 HB3 -0.10 -0.14 0.03 -0.04 2.79 2.55 2k7zA17 ASN 243 HD21 -0.09 -0.06 0.02 -0.04 7.03 6.86 2k7zA17 ASN 243 HD22 -0.05 0.10 -0.01 -0.04 7.74 7.73 2k7zA17 PHE 244 H -0.66 0.29 0.13 -0.55 8.34 7.55 2k7zA17 PHE 244 HA 0.03 0.08 0.68 -0.75 4.62 4.65 2k7zA17 PHE 244 HB2 0.02 0.09 0.07 -0.04 3.15 3.29 2k7zA17 PHE 244 HB3 0.03 0.08 -0.10 -0.04 3.06 3.02 2k7zA17 PHE 244 HD2 0.02 0.00 -0.14 -0.04 7.28 7.13 2k7zA17 PHE 244 HE2 0.01 0.04 -0.02 -0.04 7.38 7.37 2k7zA17 PHE 244 HZ 0.01 0.03 -0.00 -0.04 7.32 7.32 2k7zA17 ALA 245 H -0.15 0.02 -0.03 -0.55 8.40 7.70 2k7zA17 ALA 245 HA 0.00 0.23 0.41 -0.75 4.34 4.22 2k7zA17 ALA 245 HB3 -0.07 0.01 0.10 -0.04 1.41 1.41 2k7zA17 LYS 246 H 0.02 -0.13 -0.04 -0.55 8.42 7.71 2k7zA17 LYS 246 HA 0.03 0.39 0.83 -0.75 4.32 4.81 2k7zA17 LYS 246 HB2 0.03 -0.28 0.18 -0.04 1.87 1.76 2k7zA17 LYS 246 HB3 0.03 0.05 0.16 -0.04 1.79 2.00 2k7zA17 LYS 246 HG2 0.05 -0.03 0.10 -0.04 1.46 1.55 2k7zA17 LYS 246 HG3 0.02 0.26 0.07 -0.04 1.46 1.77 2k7zA17 LYS 246 HD2 0.02 -0.21 -0.33 -0.04 1.69 1.13 2k7zA17 LYS 246 HD3 0.03 -0.08 0.00 -0.04 1.68 1.59 2k7zA17 LYS 246 HE2 0.03 0.21 -0.07 -0.04 2.99 3.12 2k7zA17 LYS 246 HE3 0.03 -0.00 -0.05 -0.04 2.99 2.92 2k7zA17 ALA 247 H 0.05 -0.08 -0.05 -0.55 8.40 7.77 2k7zA17 ALA 247 HA 0.05 0.00 0.28 -0.75 4.34 3.92 2k7zA17 ALA 247 HB3 0.07 0.04 0.08 -0.04 1.41 1.56 2k7zA17 ARG 248 H 0.10 0.15 -0.65 -0.55 8.46 7.51 2k7zA17 ARG 248 HA 0.07 0.08 0.22 -0.75 4.34 3.96 2k7zA17 ARG 248 HB2 0.07 0.03 -0.02 -0.04 1.90 1.94 2k7zA17 ARG 248 HB3 0.15 0.21 0.05 -0.04 1.80 2.17 2k7zA17 ARG 248 HG2 0.06 -0.16 -0.21 -0.04 1.67 1.32 2k7zA17 ARG 248 HG3 0.04 -0.01 -0.29 -0.04 1.67 1.37 2k7zA17 ARG 248 HD2 0.11 0.09 0.06 -0.04 3.22 3.44 2k7zA17 ARG 248 HD3 0.05 -0.00 0.02 -0.04 3.22 3.25 2k7zA17 GLU 249 H 0.03 0.20 -0.44 -0.55 8.60 7.84 2k7zA17 GLU 249 HA -0.00 0.17 0.56 -0.75 4.29 4.26 2k7zA17 GLU 249 HB2 -0.01 0.02 -0.02 -0.04 2.09 2.04 2k7zA17 GLU 249 HB3 -0.01 -0.04 0.09 -0.04 1.99 1.99 2k7zA17 GLU 249 HG2 -0.02 0.01 -0.20 -0.04 2.34 2.10 2k7zA17 GLU 249 HG3 -0.03 0.03 -0.03 -0.04 2.34 2.27 2k7zA17 LYS 250 H 0.02 0.16 0.01 -0.55 8.42 8.05 2k7zA17 LYS 250 HA 0.04 0.12 0.40 -0.75 4.32 4.12 2k7zA17 LYS 250 HB2 0.05 -0.12 -0.01 -0.04 1.87 1.75 2k7zA17 LYS 250 HB3 0.07 -0.04 -0.08 -0.04 1.79 1.69 2k7zA17 LYS 250 HG2 0.02 0.07 0.02 -0.04 1.46 1.53 2k7zA17 LYS 250 HG3 0.04 -0.19 -0.04 -0.04 1.46 1.23 2k7zA17 LYS 250 HD2 0.03 0.21 -0.03 -0.04 1.69 1.86 2k7zA17 LYS 250 HD3 0.05 -0.15 0.04 -0.04 1.68 1.58 2k7zA17 LYS 250 HE2 0.01 -0.04 -0.06 -0.04 2.99 2.86 2k7zA17 LYS 250 HE3 0.01 -0.04 -0.24 -0.04 2.99 2.68 2k7zA17 VAL 251 H 0.02 0.39 -0.31 -0.55 8.24 7.79 2k7zA17 VAL 251 HA -0.15 0.20 0.72 -0.75 4.13 4.15 2k7zA17 VAL 251 HB -0.02 0.03 0.15 -0.04 2.12 2.24 2k7zA17 VAL 251 HG13 -0.37 -0.03 -0.01 -0.04 0.97 0.52 2k7zA17 VAL 251 HG23 0.06 -0.04 -0.17 -0.04 0.95 0.76 2k7zA17 PRO 252 HA 0.01 0.23 0.30 -0.51 4.44 4.47 2k7zA17 PRO 252 HB2 -0.00 -0.04 0.07 -0.04 2.28 2.27 2k7zA17 PRO 252 HB3 -0.00 0.11 0.10 -0.04 2.02 2.19 2k7zA17 PRO 252 HG2 0.03 -0.02 0.04 -0.04 2.03 2.04 2k7zA17 PRO 252 HG3 0.03 0.06 0.05 -0.04 2.03 2.13 2k7zA17 PRO 252 HD2 -0.01 0.13 0.12 -0.04 3.68 3.89 2k7zA17 PRO 252 HD3 0.02 0.38 -0.35 -0.04 3.65 3.66 2k7zA17 LYS 253 H -0.14 0.13 -0.48 -0.55 8.42 7.37 2k7zA17 LYS 253 HA 0.03 0.07 0.45 -0.75 4.32 4.11 2k7zA17 LYS 253 HB2 -0.06 0.05 0.08 -0.04 1.87 1.89 2k7zA17 LYS 253 HB3 -0.23 -0.01 -0.00 -0.04 1.79 1.51 2k7zA17 LYS 253 HG2 0.04 -0.01 0.08 -0.04 1.46 1.53 2k7zA17 LYS 253 HG3 0.07 0.04 0.01 -0.04 1.46 1.54 2k7zA17 LYS 253 HD2 -0.01 -0.00 -0.34 -0.04 1.69 1.30 2k7zA17 LYS 253 HD3 0.04 -0.00 -0.09 -0.04 1.68 1.59 2k7zA17 LYS 253 HE2 0.07 0.03 -0.04 -0.04 2.99 3.01 2k7zA17 LYS 253 HE3 0.05 -0.04 -0.08 -0.04 2.99 2.88 2k7zA17 LEU 254 H -0.02 0.55 -0.33 -0.55 8.37 8.02 2k7zA17 LEU 254 HA 0.00 0.06 0.38 -0.75 4.35 4.04 2k7zA17 LEU 254 HB2 0.05 0.07 -0.07 -0.04 1.64 1.65 2k7zA17 LEU 254 HB3 0.05 -0.05 0.05 -0.04 1.64 1.64 2k7zA17 LEU 254 HG -0.01 0.21 0.03 -0.04 1.64 1.82 2k7zA17 LEU 254 HD13 0.09 -0.05 -0.07 -0.04 0.93 0.85 2k7zA17 LEU 254 HD23 0.01 -0.03 -0.12 -0.04 0.89 0.71 2k7zA17 HIS 255 H 0.10 0.38 -0.46 -0.55 8.41 7.89 2k7zA17 HIS 255 HA -0.06 0.08 0.60 -0.75 4.63 4.49 2k7zA17 HIS 255 HB2 -0.02 -0.03 0.14 -0.04 3.26 3.31 2k7zA17 HIS 255 HB3 -0.02 0.25 0.20 -0.04 3.20 3.59 2k7zA17 HIS 255 HD2 -0.01 -0.02 -0.09 -0.04 6.97 6.80 2k7zA17 HIS 255 HE1 -0.01 0.01 -0.02 -0.04 7.75 7.68 2k7zA17 SER 256 H 0.04 0.20 -0.10 -0.55 8.46 8.06 2k7zA17 SER 256 HA -0.26 0.10 0.41 -0.75 4.49 3.99 2k7zA17 SER 256 HB2 0.09 -0.04 0.09 -0.04 3.95 4.05 2k7zA17 SER 256 HB3 0.02 0.03 0.04 -0.04 3.93 3.97 2k7zA17 ILE 257 H -0.10 0.11 -1.01 -0.55 8.25 6.71 2k7zA17 ILE 257 HA -0.03 -0.03 0.42 -0.75 4.18 3.78 2k7zA17 ILE 257 HB -0.04 -0.01 0.02 -0.04 1.89 1.82 2k7zA17 ILE 257 HG12 -0.03 0.16 -0.04 -0.04 1.49 1.54 2k7zA17 ILE 257 HG13 -0.01 -0.09 0.08 -0.04 1.21 1.15 2k7zA17 ILE 257 HG23 -0.13 0.03 -0.16 -0.04 0.93 0.63 2k7zA17 ILE 257 HD13 0.02 -0.03 -0.00 -0.04 0.88 0.83 2k7zA17 ARG 258 H -0.03 0.04 0.11 -0.55 8.46 8.02 2k7zA17 ARG 258 HA -0.05 0.18 0.61 -0.75 4.34 4.32 2k7zA17 ARG 258 HB2 -0.02 0.05 0.11 -0.04 1.90 2.00 2k7zA17 ARG 258 HB3 -0.02 0.06 0.02 -0.04 1.80 1.82 2k7zA17 ARG 258 HG2 -0.02 0.05 0.05 -0.04 1.67 1.71 2k7zA17 ARG 258 HG3 -0.02 -0.23 0.08 -0.04 1.67 1.46 2k7zA17 ARG 258 HD2 -0.03 -0.02 0.12 -0.04 3.22 3.24 2k7zA17 ARG 258 HD3 -0.03 0.08 0.03 -0.04 3.22 3.26 2k7zA17 ASP 259 H -0.04 0.14 0.13 -0.55 8.40 8.09 2k7zA17 ASP 259 HA -0.05 0.11 0.40 -0.75 4.63 4.33 2k7zA17 ASP 259 HB2 -0.03 0.02 0.06 -0.04 2.71 2.72 2k7zA17 ASP 259 HB3 -0.04 0.05 0.12 -0.04 2.70 2.80 2k7zA17 ARG 260 H -0.02 0.01 -0.29 -0.55 8.46 7.60 2k7zA17 ARG 260 HA -0.01 0.13 0.57 -0.75 4.34 4.27 2k7zA17 ARG 260 HB2 -0.01 -0.02 0.07 -0.04 1.90 1.89 2k7zA17 ARG 260 HB3 -0.01 -0.02 0.14 -0.04 1.80 1.87 2k7zA17 ARG 260 HG2 -0.00 0.04 -0.00 -0.04 1.67 1.66 2k7zA17 ARG 260 HG3 -0.00 -0.01 -0.01 -0.04 1.67 1.61 2k7zA17 ARG 260 HD2 -0.00 -0.07 -0.11 -0.04 3.22 3.01 2k7zA17 ARG 260 HD3 -0.00 0.11 -0.39 -0.04 3.22 2.89 2k7zA17 ASN 261 H -0.01 0.38 0.21 -0.55 8.53 8.57 2k7zA17 ASN 261 HA -0.01 0.08 0.73 -0.75 4.76 4.80 2k7zA17 ASN 261 HB2 -0.01 0.20 -0.24 -0.04 2.88 2.79 2k7zA17 ASN 261 HB3 0.01 0.04 0.01 -0.04 2.79 2.82 2k7zA17 ASN 261 HD21 0.07 0.08 0.05 -0.04 7.03 7.18 2k7zA17 ASN 261 HD22 0.05 0.00 0.08 -0.04 7.74 7.83 2k7zA17 GLY 262 H -0.06 0.10 0.20 -0.55 8.43 8.12 2k7zA17 GLY 262 HA2 -0.11 0.01 0.36 -0.51 4.01 3.76 2k7zA17 GLY 262 HA3 -0.04 0.19 0.70 -0.51 4.01 4.35 2k7zA17 THR 263 H -0.11 0.14 0.19 -0.55 8.28 7.95 2k7zA17 THR 263 HA -0.03 0.19 0.60 -0.75 4.39 4.40 2k7zA17 THR 263 HB 0.12 -0.05 0.09 -0.04 4.32 4.44 2k7zA17 THR 263 HG23 0.00 0.06 -0.21 -0.04 1.22 1.04 2k7zA17 HIS 264 H 0.24 0.27 0.11 -0.55 8.41 8.48 2k7zA17 HIS 264 HA 0.14 0.08 0.51 -0.75 4.63 4.61 2k7zA17 HIS 264 HB2 0.07 0.03 0.13 -0.04 3.26 3.46 2k7zA17 HIS 264 HB3 0.10 0.04 0.07 -0.04 3.20 3.37 2k7zA17 HIS 264 HD2 0.01 -0.10 -0.05 -0.04 6.97 6.79 2k7zA17 HIS 264 HE1 0.00 0.06 -0.02 -0.04 7.75 7.75 2k7zA17 LEU 265 H 0.10 0.13 -0.57 -0.55 8.37 7.49 2k7zA17 LEU 265 HA -0.10 0.11 0.35 -0.75 4.35 3.96 2k7zA17 LEU 265 HB2 0.02 -0.01 0.03 -0.04 1.64 1.64 2k7zA17 LEU 265 HB3 -0.00 0.09 -0.06 -0.04 1.64 1.63 2k7zA17 LEU 265 HG -0.01 0.05 0.01 -0.04 1.64 1.65 2k7zA17 LEU 265 HD13 0.08 -0.01 -0.06 -0.04 0.93 0.90 2k7zA17 LEU 265 HD23 0.01 0.03 -0.04 -0.04 0.89 0.85 2k7zA17 ASP 266 H 0.04 0.12 -0.15 -0.55 8.40 7.86 2k7zA17 ASP 266 HA 0.01 0.13 0.44 -0.75 4.63 4.46 2k7zA17 ASP 266 HB2 0.05 0.07 0.04 -0.04 2.71 2.82 2k7zA17 ASP 266 HB3 0.04 0.05 0.11 -0.04 2.70 2.85 2k7zA17 ALA 267 H 0.07 0.04 -0.23 -0.55 8.40 7.73 2k7zA17 ALA 267 HA 0.04 0.07 0.37 -0.75 4.34 4.06 2k7zA17 ALA 267 HB3 0.07 0.02 0.03 -0.04 1.41 1.49 2k7zA17 GLY 268 H -0.08 0.38 -0.35 -0.55 8.43 7.83 2k7zA17 GLY 268 HA2 -0.10 0.00 0.37 -0.51 4.01 3.78 2k7zA17 GLY 268 HA3 -0.13 0.12 0.30 -0.51 4.01 3.79 2k7zA17 ALA 269 H -0.03 0.35 -0.21 -0.55 8.40 7.96 2k7zA17 ALA 269 HA -0.04 0.04 0.42 -0.75 4.34 4.01 2k7zA17 ALA 269 HB3 -0.01 0.04 0.08 -0.04 1.41 1.48 2k7zA17 LEU 270 H 0.00 0.25 -0.30 -0.55 8.37 7.77 2k7zA17 LEU 270 HA 0.02 0.11 0.60 -0.75 4.35 4.33 2k7zA17 LEU 270 HB2 0.04 0.07 0.10 -0.04 1.64 1.82 2k7zA17 LEU 270 HB3 0.09 -0.00 -0.01 -0.04 1.64 1.67 2k7zA17 LEU 270 HG 0.03 0.06 -0.02 -0.04 1.64 1.67 2k7zA17 LEU 270 HD13 0.06 -0.02 -0.07 -0.04 0.93 0.86 2k7zA17 LEU 270 HD23 0.04 0.01 -0.10 -0.04 0.89 0.80 2k7zA17 THR 271 H 0.00 0.61 0.04 -0.55 8.28 8.39 2k7zA17 THR 271 HA 0.05 0.04 0.44 -0.75 4.39 4.16 2k7zA17 THR 271 HB -0.04 0.03 0.13 -0.04 4.32 4.40 2k7zA17 THR 271 HG23 -0.07 -0.01 -0.07 -0.04 1.22 1.03 2k7zA17 THR 272 H -0.04 0.78 0.01 -0.55 8.28 8.49 2k7zA17 THR 272 HA -0.05 -0.02 0.28 -0.75 4.39 3.85 2k7zA17 THR 272 HB -0.05 0.11 0.13 -0.04 4.32 4.48 2k7zA17 THR 272 HG23 -0.06 0.04 -0.06 -0.04 1.22 1.10 2k7zA17 THR 273 H -0.07 0.23 -0.57 -0.55 8.28 7.33 2k7zA17 THR 273 HA -0.19 0.08 0.45 -0.75 4.39 3.97 2k7zA17 THR 273 HB -0.19 0.24 0.06 -0.04 4.32 4.39 2k7zA17 THR 273 HG23 -0.60 -0.02 -0.12 -0.04 1.22 0.44 2k7zA17 PHE 274 H 0.02 0.44 -0.17 -0.55 8.34 8.07 2k7zA17 PHE 274 HA 0.07 0.14 0.73 -0.75 4.62 4.81 2k7zA17 PHE 274 HB2 -0.08 0.08 0.09 -0.04 3.15 3.20 2k7zA17 PHE 274 HB3 -0.02 -0.05 -0.04 -0.04 3.06 2.91 2k7zA17 PHE 274 HD2 0.12 0.08 -0.06 -0.04 7.28 7.38 2k7zA17 PHE 274 HE2 -0.11 -0.02 -0.11 -0.04 7.38 7.10 2k7zA17 PHE 274 HZ -0.10 -0.04 -0.11 -0.04 7.32 7.03 2k7zA17 GLU 275 H -0.03 0.54 -0.01 -0.55 8.60 8.55 2k7zA17 GLU 275 HA -0.15 0.00 0.37 -0.75 4.29 3.76 2k7zA17 GLU 275 HB2 -0.06 0.04 -0.09 -0.04 2.09 1.95 2k7zA17 GLU 275 HB3 -0.04 0.05 0.01 -0.04 1.99 1.97 2k7zA17 GLU 275 HG2 -0.10 0.01 -0.01 -0.04 2.34 2.21 2k7zA17 GLU 275 HG3 -0.04 -0.05 -0.05 -0.04 2.34 2.17 2k7zA17 GLU 276 H -0.09 0.37 -0.28 -0.55 8.60 8.05 2k7zA17 GLU 276 HA -0.22 0.02 0.38 -0.75 4.29 3.72 2k7zA17 GLU 276 HB2 -0.11 -0.02 0.08 -0.04 2.09 2.01 2k7zA17 GLU 276 HB3 -0.09 -0.01 0.12 -0.04 1.99 1.97 2k7zA17 GLU 276 HG2 -0.12 0.09 0.06 -0.04 2.34 2.33 2k7zA17 GLU 276 HG3 -0.09 -0.04 -0.15 -0.04 2.34 2.02 2k7zA17 LEU 277 H -0.06 0.29 -0.61 -0.55 8.37 7.45 2k7zA17 LEU 277 HA -0.07 0.13 0.62 -0.75 4.35 4.27 2k7zA17 LEU 277 HB2 0.46 0.18 0.04 -0.04 1.64 2.28 2k7zA17 LEU 277 HB3 0.37 -0.07 -0.04 -0.04 1.64 1.86 2k7zA17 LEU 277 HG 0.13 0.20 -0.20 -0.04 1.64 1.72 2k7zA17 LEU 277 HD13 0.02 0.01 -0.22 -0.04 0.93 0.70 2k7zA17 LEU 277 HD23 0.27 -0.02 -0.04 -0.04 0.89 1.07 2k7zA17 HIS 278 H -0.25 0.49 -0.15 -0.55 8.41 7.96 2k7zA17 HIS 278 HA -0.02 0.00 0.34 -0.75 4.63 4.21 2k7zA17 HIS 278 HB2 0.06 0.12 0.05 -0.04 3.26 3.44 2k7zA17 HIS 278 HB3 0.02 -0.09 0.14 -0.04 3.20 3.22 2k7zA17 HIS 278 HD2 -0.01 -0.02 0.05 -0.04 6.97 6.95 2k7zA17 HIS 278 HE1 0.01 -0.03 0.01 -0.04 7.75 7.69 2k7zA17 PHE 279 H -0.13 0.10 -0.09 -0.55 8.34 7.67 2k7zA17 PHE 279 HA 0.06 0.16 0.80 -0.75 4.62 4.89 2k7zA17 PHE 279 HB2 0.09 0.01 0.14 -0.04 3.15 3.34 2k7zA17 PHE 279 HB3 0.09 0.10 -0.17 -0.04 3.06 3.04 2k7zA17 PHE 279 HD2 0.04 0.16 -0.34 -0.04 7.28 7.10 2k7zA17 PHE 279 HE2 0.08 0.01 -0.10 -0.04 7.38 7.33 2k7zA17 PHE 279 HZ -0.31 -0.06 -0.16 -0.04 7.32 6.74 2k7zA17 GLU 280 H 0.27 0.25 0.09 -0.55 8.60 8.67 2k7zA17 GLU 280 HA -0.07 0.01 0.47 -0.75 4.29 3.94 2k7zA17 GLU 280 HB2 -0.20 0.22 0.25 -0.04 2.09 2.32 2k7zA17 GLU 280 HB3 -0.39 -0.05 0.03 -0.04 1.99 1.54 2k7zA17 GLU 280 HG2 -0.06 -0.01 0.00 -0.04 2.34 2.24 2k7zA17 GLU 280 HG3 -0.03 -0.03 0.01 -0.04 2.34 2.25 2k7zA17 ILE 281 H -0.22 0.31 0.27 -0.55 8.25 8.07 2k7zA17 ILE 281 HA -0.21 0.17 0.82 -0.75 4.18 4.21 2k7zA17 ILE 281 HB -0.29 0.01 0.11 -0.04 1.89 1.67 2k7zA17 ILE 281 HG12 -0.91 -0.03 -0.23 -0.04 1.49 0.28 2k7zA17 ILE 281 HG13 -1.49 -0.00 -0.71 -0.04 1.21 -1.03 2k7zA17 ILE 281 HG23 -0.17 -0.02 -0.15 -0.04 0.93 0.54 2k7zA17 ILE 281 HD13 -0.65 0.02 -0.27 -0.04 0.88 -0.06 2k7zA17 LYS 282 H -0.15 0.31 0.09 -0.55 8.42 8.11 2k7zA17 LYS 282 HA -0.20 0.22 0.88 -0.75 4.32 4.46 2k7zA17 LYS 282 HB2 -0.16 0.03 -0.04 -0.04 1.87 1.66 2k7zA17 LYS 282 HB3 -0.27 -0.04 0.21 -0.04 1.79 1.66 2k7zA17 LYS 282 HG2 -0.82 -0.05 -0.07 -0.04 1.46 0.48 2k7zA17 LYS 282 HG3 -0.23 0.05 0.02 -0.04 1.46 1.27 2k7zA17 LYS 282 HD2 0.03 -0.01 -0.01 -0.04 1.69 1.66 2k7zA17 LYS 282 HD3 -0.01 -0.03 -0.02 -0.04 1.68 1.58 2k7zA17 LYS 282 HE2 -0.08 0.02 -0.09 -0.04 2.99 2.79 2k7zA17 LYS 282 HE3 0.00 0.01 -0.04 -0.04 2.99 2.92 2k7zA17 PRO 283 HA -0.06 0.10 0.53 -0.51 4.44 4.50 2k7zA17 PRO 283 HB2 0.00 -0.07 0.03 -0.04 2.28 2.21 2k7zA17 PRO 283 HB3 -0.04 0.03 0.00 -0.04 2.02 1.98 2k7zA17 PRO 283 HG2 -0.02 -0.02 0.08 -0.04 2.03 2.03 2k7zA17 PRO 283 HG3 -0.04 0.04 0.00 -0.04 2.03 2.00 2k7zA17 PRO 283 HD2 -0.12 0.13 0.14 -0.04 3.68 3.79 2k7zA17 PRO 283 HD3 -0.11 0.18 -0.24 -0.04 3.65 3.44 2k7zA17 HIS 284 H -0.04 0.73 0.34 -0.55 8.41 8.89 2k7zA17 HIS 284 HA -0.01 0.00 0.62 -0.75 4.63 4.49 2k7zA17 HIS 284 HB2 -0.00 0.17 0.35 -0.04 3.26 3.74 2k7zA17 HIS 284 HB3 -0.01 -0.05 0.07 -0.04 3.20 3.17 2k7zA17 HIS 284 HD2 0.01 0.03 0.10 -0.04 6.97 7.07 2k7zA17 HIS 284 HE1 0.00 -0.00 -0.02 -0.04 7.75 7.69 2k7zA17 ASP 285 H 0.05 0.20 0.23 -0.55 8.40 8.34 2k7zA17 ASP 285 HA -0.15 0.10 0.68 -0.75 4.63 4.51 2k7zA17 ASP 285 HB2 -0.65 -0.13 0.00 -0.04 2.71 1.90 2k7zA17 ASP 285 HB3 -0.04 0.09 -0.15 -0.04 2.70 2.56 2k7zA17 ASP 286 H -0.65 0.08 -0.06 -0.55 8.40 7.21 2k7zA17 ASP 286 HA -0.12 -0.25 0.34 -0.75 4.63 3.84 2k7zA17 ASP 286 HB2 0.01 -0.01 0.18 -0.04 2.71 2.84 2k7zA17 ASP 286 HB3 -0.00 -0.02 0.03 -0.04 2.70 2.66 2k7zA17 CYS 287 H -0.07 0.29 -0.51 -0.55 8.50 7.67 2k7zA17 CYS 287 HA -0.04 0.03 0.43 -0.75 4.58 4.25 2k7zA17 CYS 287 HB2 -0.01 0.06 0.07 -0.04 2.97 3.05 2k7zA17 CYS 287 HB3 -0.03 -0.02 -0.01 -0.04 2.97 2.86 2k7zA17 THR 288 H -0.03 0.22 0.30 -0.55 8.28 8.22 2k7zA17 THR 288 HA -0.01 0.14 0.70 -0.75 4.39 4.46 2k7zA17 THR 288 HB -0.03 0.06 0.22 -0.04 4.32 4.53 2k7zA17 THR 288 HG23 -0.02 -0.01 -0.01 -0.04 1.22 1.14 2k7zA17 VAL 289 H -0.02 0.42 0.16 -0.55 8.24 8.25 2k7zA17 VAL 289 HA 0.01 0.11 0.26 -0.75 4.13 3.75 2k7zA17 VAL 289 HB -0.08 0.04 0.06 -0.04 2.12 2.10 2k7zA17 VAL 289 HG13 -0.04 -0.08 -0.01 -0.04 0.97 0.80 2k7zA17 VAL 289 HG23 0.02 0.09 -0.48 -0.04 0.95 0.53 2k7zA17 GLU 290 H -0.10 0.14 -0.15 -0.55 8.60 7.94 2k7zA17 GLU 290 HA -0.30 0.09 0.35 -0.75 4.29 3.68 2k7zA17 GLU 290 HB2 -0.13 -0.01 0.09 -0.04 2.09 2.01 2k7zA17 GLU 290 HB3 -0.08 -0.01 0.01 -0.04 1.99 1.88 2k7zA17 GLU 290 HG2 -0.07 0.04 -0.05 -0.04 2.34 2.22 2k7zA17 GLU 290 HG3 -0.13 0.02 0.05 -0.04 2.34 2.23 2k7zA17 GLN 291 H -0.04 0.27 -0.43 -0.55 8.47 7.72 2k7zA17 GLN 291 HA -0.03 0.11 0.63 -0.75 4.36 4.33 2k7zA17 GLN 291 HB2 -0.04 0.08 0.09 -0.04 2.15 2.25 2k7zA17 GLN 291 HB3 -0.07 0.02 -0.04 -0.04 2.02 1.90 2k7zA17 GLN 291 HG2 -0.04 0.04 0.03 -0.04 2.40 2.38 2k7zA17 GLN 291 HG3 -0.04 -0.07 0.02 -0.04 2.39 2.27 2k7zA17 GLN 291 HE21 -0.10 -0.01 0.01 -0.04 6.97 6.83 2k7zA17 GLN 291 HE22 -0.09 0.04 -0.00 -0.04 7.69 7.59 2k7zA17 ILE 292 H 0.01 0.38 -0.07 -0.55 8.25 8.02 2k7zA17 ILE 292 HA 0.01 0.03 0.37 -0.75 4.18 3.83 2k7zA17 ILE 292 HB 0.11 0.06 0.09 -0.04 1.89 2.10 2k7zA17 ILE 292 HG12 0.02 0.10 -0.21 -0.04 1.49 1.36 2k7zA17 ILE 292 HG13 0.05 -0.01 -0.05 -0.04 1.21 1.16 2k7zA17 ILE 292 HG23 0.07 -0.00 -0.05 -0.04 0.93 0.91 2k7zA17 ILE 292 HD13 0.02 0.01 -0.08 -0.04 0.88 0.78 2k7zA17 TYR 293 H 0.21 0.43 -0.33 -0.55 8.29 8.06 2k7zA17 TYR 293 HA -0.04 0.02 0.37 -0.75 4.56 4.16 2k7zA17 TYR 293 HB2 -0.03 0.20 0.03 -0.04 3.06 3.23 2k7zA17 TYR 293 HB3 -0.03 0.02 -0.07 -0.04 2.98 2.86 2k7zA17 TYR 293 HD2 -0.01 0.00 -0.04 -0.04 7.15 7.05 2k7zA17 TYR 293 HE2 -0.00 -0.04 -0.07 -0.04 6.85 6.70 2k7zA17 GLU 294 H 0.04 0.47 -0.40 -0.55 8.60 8.17 2k7zA17 GLU 294 HA -0.02 0.07 0.49 -0.75 4.29 4.07 2k7zA17 GLU 294 HB2 -0.05 0.09 0.14 -0.04 2.09 2.23 2k7zA17 GLU 294 HB3 -0.04 -0.03 0.06 -0.04 1.99 1.95 2k7zA17 GLU 294 HG2 0.01 -0.03 0.04 -0.04 2.34 2.32 2k7zA17 GLU 294 HG3 -0.00 0.08 0.18 -0.04 2.34 2.56 2k7zA17 ILE 295 H -0.07 0.31 -0.11 -0.55 8.25 7.82 2k7zA17 ILE 295 HA -0.22 0.01 0.37 -0.75 4.18 3.58 2k7zA17 ILE 295 HB -0.09 0.10 0.09 -0.04 1.89 1.95 2k7zA17 ILE 295 HG12 -0.10 -0.01 0.01 -0.04 1.49 1.34 2k7zA17 ILE 295 HG13 -0.07 0.08 0.08 -0.04 1.21 1.26 2k7zA17 ILE 295 HG23 -0.09 -0.01 0.02 -0.04 0.93 0.81 2k7zA17 ILE 295 HD13 -0.02 -0.01 -0.04 -0.04 0.88 0.77 2k7zA17 LEU 296 H -0.16 0.35 -0.37 -0.55 8.37 7.64 2k7zA17 LEU 296 HA -0.22 0.04 0.27 -0.75 4.35 3.68 2k7zA17 LEU 296 HB2 -0.13 0.01 0.11 -0.04 1.64 1.59 2k7zA17 LEU 296 HB3 -0.17 0.06 0.00 -0.04 1.64 1.50 2k7zA17 LEU 296 HG -0.18 -0.09 -0.00 -0.04 1.64 1.33 2k7zA17 LEU 296 HD13 -0.02 0.02 0.07 -0.04 0.93 0.95 2k7zA17 LEU 296 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.78 2k7zA17 LYS 297 H -0.17 0.32 -0.35 -0.55 8.42 7.66 2k7zA17 LYS 297 HA -0.06 0.18 0.85 -0.75 4.32 4.53 2k7zA17 LYS 297 HB2 -0.04 -0.04 0.09 -0.04 1.87 1.84 2k7zA17 LYS 297 HB3 -0.06 0.01 0.01 -0.04 1.79 1.71 2k7zA17 LYS 297 HG2 -0.06 0.09 0.03 -0.04 1.46 1.48 2k7zA17 LYS 297 HG3 -0.03 -0.05 -0.01 -0.04 1.46 1.32 2k7zA17 LYS 297 HD2 -0.06 -0.05 0.02 -0.04 1.69 1.56 2k7zA17 LYS 297 HD3 -0.07 0.21 0.21 -0.04 1.68 1.99 2k7zA17 LYS 297 HE2 -0.01 -0.04 -0.01 -0.04 2.99 2.89 2k7zA17 LYS 297 HE3 -0.00 -0.04 -0.06 -0.04 2.99 2.85 2k7zA17 ILE 298 H -0.20 0.37 0.03 -0.55 8.25 7.90 2k7zA17 ILE 298 HA -0.02 -0.00 0.38 -0.75 4.18 3.78 2k7zA17 ILE 298 HB -0.19 0.07 0.17 -0.04 1.89 1.90 2k7zA17 ILE 298 HG12 -0.01 -0.02 -0.00 -0.04 1.49 1.42 2k7zA17 ILE 298 HG13 -0.06 0.13 0.01 -0.04 1.21 1.25 2k7zA17 ILE 298 HG23 0.09 0.00 -0.11 -0.04 0.93 0.87 2k7zA17 ILE 298 HD13 -0.05 -0.04 -0.20 -0.04 0.88 0.55 2k7zA17 TYR 299 H -0.35 0.36 -0.32 -0.55 8.29 7.43 2k7zA17 TYR 299 HA 0.02 0.02 0.32 -0.75 4.56 4.16 2k7zA17 TYR 299 HB2 -0.01 0.08 -0.05 -0.04 3.06 3.03 2k7zA17 TYR 299 HB3 -0.07 0.06 0.02 -0.04 2.98 2.95 2k7zA17 TYR 299 HD2 0.08 0.02 -0.04 -0.04 7.15 7.17 2k7zA17 TYR 299 HE2 0.13 -0.07 -0.07 -0.04 6.85 6.80 2k7zA17 GLN 300 H 0.05 0.45 -0.40 -0.55 8.47 8.02 2k7zA17 GLN 300 HA 0.01 0.02 0.68 -0.75 4.36 4.32 2k7zA17 GLN 300 HB2 0.02 0.03 0.05 -0.04 2.15 2.21 2k7zA17 GLN 300 HB3 0.01 0.11 0.12 -0.04 2.02 2.22 2k7zA17 GLN 300 HG2 -0.01 -0.12 0.09 -0.04 2.40 2.32 2k7zA17 GLN 300 HG3 -0.01 0.02 0.00 -0.04 2.39 2.36 2k7zA17 GLN 300 HE21 -0.02 -0.07 0.02 -0.04 6.97 6.86 2k7zA17 GLN 300 HE22 -0.01 0.01 -0.06 -0.04 7.69 7.60 2k7zA17 LEU 301 H 0.03 0.29 -0.03 -0.55 8.37 8.11 2k7zA17 LEU 301 HA 0.02 0.02 0.33 -0.75 4.35 3.96 2k7zA17 LEU 301 HB2 0.04 0.10 0.08 -0.04 1.64 1.82 2k7zA17 LEU 301 HB3 0.03 -0.03 0.06 -0.04 1.64 1.66 2k7zA17 LEU 301 HG -0.00 0.09 -0.07 -0.04 1.64 1.61 2k7zA17 LEU 301 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.85 2k7zA17 LEU 301 HD23 0.00 -0.01 -0.04 -0.04 0.89 0.80 2k7zA17 MET 302 H 0.08 0.27 -0.54 -0.55 8.47 7.73 2k7zA17 MET 302 HA 0.10 0.04 0.46 -0.75 4.52 4.37 2k7zA17 MET 302 HB2 0.17 0.07 0.04 -0.04 2.15 2.39 2k7zA17 MET 302 HB3 0.21 -0.04 -0.04 -0.04 2.03 2.12 2k7zA17 MET 302 HG2 0.18 -0.05 -0.08 -0.04 2.63 2.63 2k7zA17 MET 302 HG3 0.20 0.09 -0.04 -0.04 2.56 2.77 2k7zA17 MET 302 HE3 0.45 -0.01 -0.09 -0.04 2.10 2.41 2k7zA17 ASP 303 H 0.01 0.24 -0.11 -0.55 8.40 7.99 2k7zA17 ASP 303 HA -0.10 -0.04 0.29 -0.75 4.63 4.02 2k7zA17 ASP 303 HB2 -0.01 0.22 -0.05 -0.04 2.71 2.82 2k7zA17 ASP 303 HB3 -0.01 0.05 0.00 -0.04 2.70 2.71 2k7zA17 HIS 304 H -0.30 0.14 -0.14 -0.55 8.41 7.57 2k7zA17 HIS 304 HA -0.06 0.14 0.57 -0.75 4.63 4.53 2k7zA17 HIS 304 HB2 -0.12 -0.06 0.03 -0.04 3.26 3.07 2k7zA17 HIS 304 HB3 -0.13 0.10 -0.09 -0.04 3.20 3.04 2k7zA17 HIS 304 HD2 -0.11 -0.06 -0.11 -0.04 6.97 6.65 2k7zA17 HIS 304 HE1 -0.06 0.07 -0.12 -0.04 7.75 7.59 2k7zA17 SER 305 H -0.02 0.34 0.16 -0.55 8.46 8.40 2k7zA17 SER 305 HA -0.06 0.13 0.43 -0.75 4.49 4.23 2k7zA17 SER 305 HB2 -0.03 -0.01 0.18 -0.04 3.95 4.05 2k7zA17 SER 305 HB3 -0.05 0.00 0.05 -0.04 3.93 3.90 2k7zA17 ASN 306 H 0.04 0.11 -0.75 -0.55 8.53 7.38 2k7zA17 ASN 306 HA 0.00 0.13 0.71 -0.75 4.76 4.85 2k7zA17 ASN 306 HB2 0.00 0.01 0.10 -0.04 2.88 2.95 2k7zA17 ASN 306 HB3 0.00 -0.01 -0.15 -0.04 2.79 2.59 2k7zA17 ASN 306 HD21 -0.01 0.01 -0.07 -0.04 7.03 6.92 2k7zA17 ASN 306 HD22 -0.02 0.02 -0.09 -0.04 7.74 7.61 2k7zA17 MET 307 H 0.11 0.40 0.08 -0.55 8.47 8.51 2k7zA17 MET 307 HA 0.00 0.03 0.63 -0.75 4.52 4.43 2k7zA17 MET 307 HB2 -0.09 0.00 -0.02 -0.04 2.15 2.01 2k7zA17 MET 307 HB3 -0.08 0.06 0.04 -0.04 2.03 2.02 2k7zA17 MET 307 HG2 -0.05 0.13 -0.01 -0.04 2.63 2.66 2k7zA17 MET 307 HG3 -0.05 -0.16 -0.41 -0.04 2.56 1.89 2k7zA17 MET 307 HE3 -0.60 -0.01 -0.07 -0.04 2.10 1.38 2k7zA17 ASP 308 H 0.00 0.02 0.16 -0.55 8.40 8.03 2k7zA17 ASP 308 HA 0.10 0.24 0.84 -0.75 4.63 5.06 2k7zA17 ASP 308 HB2 0.04 0.06 0.11 -0.04 2.71 2.88 2k7zA17 ASP 308 HB3 0.02 -0.02 -0.06 -0.04 2.70 2.61 2k7zA17 CYS 309 H -0.06 -0.07 0.16 -0.55 8.50 7.98 2k7zA17 CYS 309 HA -0.04 -0.00 0.38 -0.75 4.58 4.17 2k7zA17 CYS 309 HB2 -1.07 0.01 0.00 -0.04 2.97 1.87 2k7zA17 CYS 309 HB3 -0.52 -0.03 0.13 -0.04 2.97 2.50 2k7zA17 PHE 310 H 0.34 0.26 0.37 -0.55 8.34 8.76 2k7zA17 PHE 310 HA 0.14 0.28 0.97 -0.75 4.62 5.26 2k7zA17 PHE 310 HB2 0.12 0.06 -0.18 -0.04 3.15 3.11 2k7zA17 PHE 310 HB3 0.09 0.07 0.18 -0.04 3.06 3.36 2k7zA17 PHE 310 HD2 0.06 -0.05 -0.03 -0.04 7.28 7.22 2k7zA17 PHE 310 HE2 0.00 -0.06 -0.09 -0.04 7.38 7.19 2k7zA17 PHE 310 HZ -0.05 -0.08 -0.06 -0.04 7.32 7.09 2k7zA17 ILE 311 H -1.12 0.55 0.39 -0.55 8.25 7.51 2k7zA17 ILE 311 HA -0.36 0.10 0.81 -0.75 4.18 3.98 2k7zA17 ILE 311 HB -0.46 -0.06 -0.01 -0.04 1.89 1.32 2k7zA17 ILE 311 HG12 -0.39 0.07 -0.26 -0.04 1.49 0.87 2k7zA17 ILE 311 HG13 -0.35 -0.03 -0.59 -0.04 1.21 0.20 2k7zA17 ILE 311 HG23 -0.22 -0.02 -0.21 -0.04 0.93 0.44 2k7zA17 ILE 311 HD13 -0.68 -0.01 -0.18 -0.04 0.88 -0.03 2k7zA17 CYS 312 H -0.25 0.49 0.20 -0.55 8.50 8.40 2k7zA17 CYS 312 HA -0.12 0.10 0.93 -0.75 4.58 4.74 2k7zA17 CYS 312 HB2 0.04 0.10 0.12 -0.04 2.97 3.19 2k7zA17 CYS 312 HB3 0.06 -0.11 0.34 -0.04 2.97 3.22 2k7zA17 CYS 313 H -0.06 0.64 0.25 -0.55 8.50 8.79 2k7zA17 CYS 313 HA 0.07 0.22 0.95 -0.75 4.58 5.06 2k7zA17 CYS 313 HB2 -0.12 -0.07 -0.06 -0.04 2.97 2.68 2k7zA17 CYS 313 HB3 -0.02 -0.05 0.26 -0.04 2.97 3.12 2k7zA17 ILE 314 H 0.06 0.41 0.09 -0.55 8.25 8.26 2k7zA17 ILE 314 HA 0.06 0.10 0.88 -0.75 4.18 4.47 2k7zA17 ILE 314 HB 0.05 -0.09 -0.10 -0.04 1.89 1.70 2k7zA17 ILE 314 HG12 0.04 0.00 -0.15 -0.04 1.49 1.34 2k7zA17 ILE 314 HG13 0.05 -0.04 -0.30 -0.04 1.21 0.87 2k7zA17 ILE 314 HG23 0.08 0.01 -0.14 -0.04 0.93 0.84 2k7zA17 ILE 314 HD13 0.01 0.03 -0.20 -0.04 0.88 0.68 2k7zA17 LEU 315 H 0.07 0.12 0.14 -0.55 8.37 8.16 2k7zA17 LEU 315 HA 0.11 0.19 0.55 -0.75 4.35 4.45 2k7zA17 LEU 315 HB2 0.11 -0.09 0.21 -0.04 1.64 1.82 2k7zA17 LEU 315 HB3 0.23 -0.06 0.06 -0.04 1.64 1.83 2k7zA17 LEU 315 HG 0.10 0.16 0.11 -0.04 1.64 1.96 2k7zA17 LEU 315 HD13 0.08 -0.02 0.02 -0.04 0.93 0.97 2k7zA17 LEU 315 HD23 0.16 0.01 0.02 -0.04 0.89 1.04 2k7zA17 SER 316 H 0.07 0.08 0.06 -0.55 8.46 8.13 2k7zA17 SER 316 HA 0.06 -0.02 0.27 -0.75 4.49 4.04 2k7zA17 SER 316 HB2 0.00 -0.06 -0.16 -0.04 3.95 3.69 2k7zA17 SER 316 HB3 -0.05 0.18 -0.10 -0.04 3.93 3.93 2k7zA17 HIS 317 H 0.19 -0.07 -0.42 -0.55 8.41 7.56 2k7zA17 HIS 317 HA 0.05 0.15 0.41 -0.75 4.63 4.49 2k7zA17 HIS 317 HB2 0.05 -0.19 -0.02 -0.04 3.26 3.05 2k7zA17 HIS 317 HB3 0.05 0.25 0.02 -0.04 3.20 3.48 2k7zA17 HIS 317 HD2 0.05 -0.10 0.00 -0.04 6.97 6.88 2k7zA17 HIS 317 HE1 0.06 0.03 0.08 -0.04 7.75 7.87 2k7zA17 GLY 318 H 0.12 -0.15 -0.54 -0.55 8.43 7.31 2k7zA17 GLY 318 HA2 0.08 0.10 0.49 -0.51 4.01 4.17 2k7zA17 GLY 318 HA3 0.08 -0.09 0.20 -0.51 4.01 3.69 2k7zA17 ASP 319 H 0.07 0.03 0.05 -0.55 8.40 8.00 2k7zA17 ASP 319 HA 0.11 0.29 0.73 -0.75 4.63 5.00 2k7zA17 ASP 319 HB2 0.05 0.01 -0.02 -0.04 2.71 2.71 2k7zA17 ASP 319 HB3 0.04 -0.09 0.05 -0.04 2.70 2.66 2k7zA17 LYS 320 H 0.07 0.23 0.07 -0.55 8.42 8.24 2k7zA17 LYS 320 HA 0.10 0.10 0.88 -0.75 4.32 4.64 2k7zA17 LYS 320 HB2 0.09 0.03 0.13 -0.04 1.87 2.08 2k7zA17 LYS 320 HB3 0.10 0.02 0.02 -0.04 1.79 1.89 2k7zA17 LYS 320 HG2 0.44 0.02 -0.06 -0.04 1.46 1.82 2k7zA17 LYS 320 HG3 0.22 -0.02 -0.07 -0.04 1.46 1.56 2k7zA17 LYS 320 HD2 0.39 0.05 -0.15 -0.04 1.69 1.94 2k7zA17 LYS 320 HD3 0.20 -0.01 -0.54 -0.04 1.68 1.28 2k7zA17 LYS 320 HE2 0.24 0.13 -0.06 -0.04 2.99 3.25 2k7zA17 LYS 320 HE3 0.09 -0.11 0.02 -0.04 2.99 2.95 2k7zA17 GLY 321 H 0.06 0.20 0.02 -0.55 8.43 8.16 2k7zA17 GLY 321 HA2 0.03 0.03 0.29 -0.51 4.01 3.85 2k7zA17 GLY 321 HA3 0.01 0.17 0.65 -0.51 4.01 4.33 2k7zA17 ILE 322 H 0.03 -0.05 -0.43 -0.55 8.25 7.26 2k7zA17 ILE 322 HA -0.01 0.13 0.45 -0.75 4.18 4.00 2k7zA17 ILE 322 HB -0.02 -0.02 0.07 -0.04 1.89 1.88 2k7zA17 ILE 322 HG12 -0.00 0.32 -0.23 -0.04 1.49 1.55 2k7zA17 ILE 322 HG13 0.02 -0.05 -0.07 -0.04 1.21 1.08 2k7zA17 ILE 322 HG23 0.01 0.01 -0.12 -0.04 0.93 0.79 2k7zA17 ILE 322 HD13 0.05 -0.07 -0.37 -0.04 0.88 0.45 2k7zA17 ILE 323 H -0.06 0.09 0.07 -0.55 8.25 7.79 2k7zA17 ILE 323 HA -0.16 0.04 0.50 -0.75 4.18 3.81 2k7zA17 ILE 323 HB -0.18 -0.01 0.08 -0.04 1.89 1.73 2k7zA17 ILE 323 HG12 -0.17 -0.00 0.03 -0.04 1.49 1.31 2k7zA17 ILE 323 HG13 -0.12 0.04 0.03 -0.04 1.21 1.12 2k7zA17 ILE 323 HG23 -0.58 0.05 0.01 -0.04 0.93 0.37 2k7zA17 ILE 323 HD13 -0.09 -0.01 -0.01 -0.04 0.88 0.73 2k7zA17 TYR 324 H -0.21 0.08 0.16 -0.55 8.29 7.78 2k7zA17 TYR 324 HA 0.02 0.22 0.51 -0.75 4.56 4.56 2k7zA17 TYR 324 HB2 0.01 -0.09 0.13 -0.04 3.06 3.07 2k7zA17 TYR 324 HB3 0.02 0.10 0.15 -0.04 2.98 3.20 2k7zA17 TYR 324 HD2 0.01 -0.01 -0.19 -0.04 7.15 6.91 2k7zA17 TYR 324 HE2 0.01 0.01 -0.03 -0.04 6.85 6.79 2k7zA17 GLY 325 H 0.17 0.43 -0.10 -0.55 8.43 8.39 2k7zA17 GLY 325 HA2 0.10 0.19 0.76 -0.51 4.01 4.55 2k7zA17 GLY 325 HA3 0.07 -0.12 0.22 -0.51 4.01 3.67 2k7zA17 THR 326 H 0.07 0.19 0.12 -0.55 8.28 8.11 2k7zA17 THR 326 HA 0.02 0.16 0.42 -0.75 4.39 4.24 2k7zA17 THR 326 HB 0.02 -0.14 0.12 -0.04 4.32 4.28 2k7zA17 THR 326 HG23 -0.01 0.03 -0.04 -0.04 1.22 1.15 2k7zA17 ASP 327 H 0.03 -0.09 -0.01 -0.55 8.40 7.78 2k7zA17 ASP 327 HA 0.01 0.13 0.70 -0.75 4.63 4.72 2k7zA17 ASP 327 HB2 0.03 0.16 0.02 -0.04 2.71 2.88 2k7zA17 ASP 327 HB3 0.00 0.05 0.02 -0.04 2.70 2.72 2k7zA17 GLY 328 H 0.04 -0.19 -0.15 -0.55 8.43 7.59 2k7zA17 GLY 328 HA2 0.06 0.13 0.39 -0.51 4.01 4.09 2k7zA17 GLY 328 HA3 0.06 0.02 0.21 -0.51 4.01 3.79 2k7zA17 GLN 329 H 0.07 0.09 0.02 -0.55 8.47 8.10 2k7zA17 GLN 329 HA 0.06 0.05 0.41 -0.75 4.36 4.13 2k7zA17 GLN 329 HB2 0.09 0.05 0.03 -0.04 2.15 2.27 2k7zA17 GLN 329 HB3 0.07 0.16 0.10 -0.04 2.02 2.31 2k7zA17 GLN 329 HG2 0.07 -0.13 -0.31 -0.04 2.40 1.99 2k7zA17 GLN 329 HG3 0.08 -0.00 0.02 -0.04 2.39 2.44 2k7zA17 GLN 329 HE21 0.09 -0.07 -0.05 -0.04 6.97 6.90 2k7zA17 GLN 329 HE22 0.09 0.52 0.05 -0.04 7.69 8.31 2k7zA17 GLU 330 H 0.05 0.17 0.12 -0.55 8.60 8.39 2k7zA17 GLU 330 HA 0.16 0.09 0.91 -0.75 4.29 4.69 2k7zA17 GLU 330 HB2 -0.06 0.05 0.14 -0.04 2.09 2.19 2k7zA17 GLU 330 HB3 0.05 0.05 -0.05 -0.04 1.99 2.00 2k7zA17 GLU 330 HG2 -0.09 -0.02 -0.02 -0.04 2.34 2.17 2k7zA17 GLU 330 HG3 -0.08 -0.04 -0.02 -0.04 2.34 2.16 2k7zA17 ALA 331 H 0.11 0.07 -0.03 -0.55 8.40 8.00 2k7zA17 ALA 331 HA 0.11 0.26 0.82 -0.75 4.34 4.78 2k7zA17 ALA 331 HB3 0.24 0.01 -0.12 -0.04 1.41 1.51 2k7zA17 PRO 332 HA 0.11 0.09 0.48 -0.51 4.44 4.61 2k7zA17 PRO 332 HB2 0.10 -0.08 0.06 -0.04 2.28 2.32 2k7zA17 PRO 332 HB3 0.07 0.11 0.09 -0.04 2.02 2.25 2k7zA17 PRO 332 HG2 0.06 -0.04 0.16 -0.04 2.03 2.17 2k7zA17 PRO 332 HG3 0.06 0.13 0.09 -0.04 2.03 2.27 2k7zA17 PRO 332 HD2 0.10 0.12 0.18 -0.04 3.68 4.05 2k7zA17 PRO 332 HD3 0.08 0.21 0.17 -0.04 3.65 4.06 2k7zA17 ILE 333 H 0.11 0.32 0.24 -0.55 8.25 8.37 2k7zA17 ILE 333 HA 0.03 0.06 0.33 -0.75 4.18 3.84 2k7zA17 ILE 333 HB 0.06 0.07 0.10 -0.04 1.89 2.07 2k7zA17 ILE 333 HG12 -0.15 0.03 -0.15 -0.04 1.49 1.18 2k7zA17 ILE 333 HG13 -0.06 -0.02 0.01 -0.04 1.21 1.10 2k7zA17 ILE 333 HG23 0.12 0.01 -0.03 -0.04 0.93 0.98 2k7zA17 ILE 333 HD13 -0.09 0.02 -0.06 -0.04 0.88 0.71 2k7zA17 TYR 334 H 0.28 0.07 -0.26 -0.55 8.29 7.82 2k7zA17 TYR 334 HA -0.01 0.13 0.21 -0.75 4.56 4.13 2k7zA17 TYR 334 HB2 0.02 -0.07 -0.01 -0.04 3.06 2.96 2k7zA17 TYR 334 HB3 0.01 0.08 -0.09 -0.04 2.98 2.94 2k7zA17 TYR 334 HD2 0.03 -0.04 -0.02 -0.04 7.15 7.07 2k7zA17 TYR 334 HE2 0.02 0.02 -0.05 -0.04 6.85 6.80 2k7zA17 GLU 335 H 0.10 0.33 -0.42 -0.55 8.60 8.06 2k7zA17 GLU 335 HA 0.06 0.13 0.61 -0.75 4.29 4.35 2k7zA17 GLU 335 HB2 0.06 -0.06 0.09 -0.04 2.09 2.14 2k7zA17 GLU 335 HB3 0.03 0.05 0.12 -0.04 1.99 2.15 2k7zA17 GLU 335 HG2 0.02 -0.00 0.00 -0.04 2.34 2.32 2k7zA17 GLU 335 HG3 0.01 0.02 -0.04 -0.04 2.34 2.29 2k7zA17 LEU 336 H 0.01 0.38 0.02 -0.55 8.37 8.23 2k7zA17 LEU 336 HA -0.05 0.06 0.37 -0.75 4.35 3.97 2k7zA17 LEU 336 HB2 -0.03 0.07 0.05 -0.04 1.64 1.70 2k7zA17 LEU 336 HB3 -0.06 0.02 0.03 -0.04 1.64 1.59 2k7zA17 LEU 336 HG 0.00 0.11 -0.07 -0.04 1.64 1.63 2k7zA17 LEU 336 HD13 0.07 -0.03 -0.18 -0.04 0.93 0.74 2k7zA17 LEU 336 HD23 -0.27 -0.00 -0.05 -0.04 0.89 0.52 2k7zA17 THR 337 H -0.06 0.53 -0.23 -0.55 8.28 7.97 2k7zA17 THR 337 HA -0.15 0.15 0.65 -0.75 4.39 4.29 2k7zA17 THR 337 HB -0.43 0.01 0.09 -0.04 4.32 3.95 2k7zA17 THR 337 HG23 -0.21 -0.01 -0.08 -0.04 1.22 0.89 2k7zA17 SER 338 H 0.02 0.31 -0.56 -0.55 8.46 7.69 2k7zA17 SER 338 HA 0.23 0.11 0.74 -0.75 4.49 4.82 2k7zA17 SER 338 HB2 0.10 0.08 0.15 -0.04 3.95 4.24 2k7zA17 SER 338 HB3 0.07 0.04 0.32 -0.04 3.93 4.32 2k7zA17 GLN 339 H 0.07 0.34 0.00 -0.55 8.47 8.34 2k7zA17 GLN 339 HA 0.04 0.03 0.34 -0.75 4.36 4.02 2k7zA17 GLN 339 HB2 0.01 -0.01 0.08 -0.04 2.15 2.19 2k7zA17 GLN 339 HB3 0.01 -0.02 0.10 -0.04 2.02 2.07 2k7zA17 GLN 339 HG2 0.04 0.20 0.06 -0.04 2.40 2.66 2k7zA17 GLN 339 HG3 0.05 0.04 -0.22 -0.04 2.39 2.22 2k7zA17 GLN 339 HE21 -0.00 0.03 -0.05 -0.04 6.97 6.90 2k7zA17 GLN 339 HE22 -0.06 -0.09 -0.09 -0.04 7.69 7.41 2k7zA17 PHE 340 H 0.35 0.06 -0.71 -0.55 8.34 7.49 2k7zA17 PHE 340 HA -0.03 0.15 0.37 -0.75 4.62 4.35 2k7zA17 PHE 340 HB2 -0.05 0.06 0.07 -0.04 3.15 3.18 2k7zA17 PHE 340 HB3 -0.04 -0.04 -0.03 -0.04 3.06 2.91 2k7zA17 PHE 340 HD2 -0.07 -0.01 -0.13 -0.04 7.28 7.03 2k7zA17 PHE 340 HE2 -0.11 -0.01 0.01 -0.04 7.38 7.23 2k7zA17 PHE 340 HZ -0.14 -0.07 -0.03 -0.04 7.32 7.05 2k7zA17 THR 341 H -0.06 0.30 -0.58 -0.55 8.28 7.39 2k7zA17 THR 341 HA -0.67 0.01 0.38 -0.75 4.39 3.36 2k7zA17 THR 341 HB -0.10 -0.06 0.08 -0.04 4.32 4.19 2k7zA17 THR 341 HG23 -0.13 -0.04 -0.03 -0.04 1.22 0.98 2k7zA17 GLY 342 H -0.34 0.17 0.19 -0.55 8.43 7.90 2k7zA17 GLY 342 HA2 -0.15 0.12 0.19 -0.51 4.01 3.66 2k7zA17 GLY 342 HA3 -0.15 0.01 0.32 -0.51 4.01 3.68 2k7zA17 LEU 343 H -0.12 0.02 -0.64 -0.55 8.37 7.08 2k7zA17 LEU 343 HA -0.06 0.14 0.64 -0.75 4.35 4.32 2k7zA17 LEU 343 HB2 -0.06 0.01 -0.06 -0.04 1.64 1.48 2k7zA17 LEU 343 HB3 -0.05 0.01 0.09 -0.04 1.64 1.65 2k7zA17 LEU 343 HG -0.07 -0.00 -0.19 -0.04 1.64 1.35 2k7zA17 LEU 343 HD13 -0.08 -0.01 -0.04 -0.04 0.93 0.75 2k7zA17 LEU 343 HD23 -0.04 0.00 -0.02 -0.04 0.89 0.79 2k7zA17 LYS 344 H -0.08 0.51 -0.15 -0.55 8.42 8.15 2k7zA17 LYS 344 HA -0.03 0.09 0.81 -0.75 4.32 4.43 2k7zA17 LYS 344 HB2 -0.04 0.17 0.08 -0.04 1.87 2.04 2k7zA17 LYS 344 HB3 -0.02 -0.05 0.05 -0.04 1.79 1.72 2k7zA17 LYS 344 HG2 -0.05 -0.14 -0.23 -0.04 1.46 0.99 2k7zA17 LYS 344 HG3 -0.02 -0.01 -0.06 -0.04 1.46 1.33 2k7zA17 LYS 344 HD2 -0.02 -0.04 -0.05 -0.04 1.69 1.54 2k7zA17 LYS 344 HD3 -0.03 0.17 -0.10 -0.04 1.68 1.68 2k7zA17 LYS 344 HE2 -0.04 -0.06 -0.23 -0.04 2.99 2.62 2k7zA17 LYS 344 HE3 -0.02 -0.03 -0.09 -0.04 2.99 2.81 2k7zA17 CYS 345 H -0.07 0.63 0.04 -0.55 8.50 8.55 2k7zA17 CYS 345 HA -0.03 0.04 0.49 -0.75 4.58 4.32 2k7zA17 CYS 345 HB2 -0.01 0.09 -0.15 -0.04 2.97 2.86 2k7zA17 CYS 345 HB3 -0.00 -0.01 -0.05 -0.04 2.97 2.87 2k7zA17 PRO 346 HA -0.09 0.10 0.47 -0.51 4.44 4.42 2k7zA17 PRO 346 HB2 -0.06 -0.08 0.09 -0.04 2.28 2.18 2k7zA17 PRO 346 HB3 -0.06 0.11 0.12 -0.04 2.02 2.14 2k7zA17 PRO 346 HG2 -0.04 -0.12 0.16 -0.04 2.03 1.99 2k7zA17 PRO 346 HG3 -0.04 0.08 0.07 -0.04 2.03 2.10 2k7zA17 PRO 346 HD2 -0.04 0.12 0.13 -0.04 3.68 3.86 2k7zA17 PRO 346 HD3 -0.05 0.18 -0.02 -0.04 3.65 3.73 2k7zA17 SER 347 H -0.05 0.13 0.05 -0.55 8.46 8.04 2k7zA17 SER 347 HA -0.07 0.01 0.35 -0.75 4.49 4.02 2k7zA17 SER 347 HB2 -0.01 0.14 -0.08 -0.04 3.95 3.96 2k7zA17 SER 347 HB3 -0.01 -0.06 -0.06 -0.04 3.93 3.75 2k7zA17 LEU 348 H -0.10 -0.01 -0.19 -0.55 8.37 7.52 2k7zA17 LEU 348 HA -0.11 -0.05 0.22 -0.75 4.35 3.65 2k7zA17 LEU 348 HB2 -0.21 0.22 0.08 -0.04 1.64 1.69 2k7zA17 LEU 348 HB3 -0.18 0.00 0.13 -0.04 1.64 1.55 2k7zA17 LEU 348 HG -0.26 -0.13 -0.14 -0.04 1.64 1.07 2k7zA17 LEU 348 HD13 -0.40 -0.05 -0.16 -0.04 0.93 0.28 2k7zA17 LEU 348 HD23 -0.65 -0.01 -0.02 -0.04 0.89 0.17 2k7zA17 ALA 349 H -0.07 0.39 -0.33 -0.55 8.40 7.85 2k7zA17 ALA 349 HA 0.02 0.11 0.32 -0.75 4.34 4.03 2k7zA17 ALA 349 HB3 -0.17 0.05 0.17 -0.04 1.41 1.41 2k7zA17 GLY 350 H -0.06 -0.01 -0.18 -0.55 8.43 7.63 2k7zA17 GLY 350 HA2 -0.02 0.14 0.58 -0.51 4.01 4.21 2k7zA17 GLY 350 HA3 -0.03 -0.10 0.29 -0.51 4.01 3.66 2k7zA17 LYS 351 H -0.01 0.54 -0.45 -0.55 8.42 7.95 2k7zA17 LYS 351 HA 0.02 0.02 0.83 -0.75 4.32 4.44 2k7zA17 LYS 351 HB2 -0.04 0.23 0.14 -0.04 1.87 2.16 2k7zA17 LYS 351 HB3 0.01 0.10 0.03 -0.04 1.79 1.89 2k7zA17 LYS 351 HG2 -0.04 -0.11 -0.09 -0.04 1.46 1.19 2k7zA17 LYS 351 HG3 -0.09 -0.06 0.02 -0.04 1.46 1.29 2k7zA17 LYS 351 HD2 -0.03 -0.01 -0.02 -0.04 1.69 1.59 2k7zA17 LYS 351 HD3 0.00 0.06 0.08 -0.04 1.68 1.78 2k7zA17 LYS 351 HE2 0.00 -0.08 -0.01 -0.04 2.99 2.86 2k7zA17 LYS 351 HE3 0.01 0.06 0.10 -0.04 2.99 3.12 2k7zA17 PRO 352 HA 0.14 0.18 0.20 -0.51 4.44 4.45 2k7zA17 PRO 352 HB2 0.10 -0.01 -0.07 -0.04 2.28 2.25 2k7zA17 PRO 352 HB3 0.08 -0.13 -0.00 -0.04 2.02 1.94 2k7zA17 PRO 352 HG2 0.08 0.11 0.11 -0.04 2.03 2.29 2k7zA17 PRO 352 HG3 0.05 -0.03 0.04 -0.04 2.03 2.04 2k7zA17 PRO 352 HD2 0.04 0.09 0.24 -0.04 3.68 4.00 2k7zA17 PRO 352 HD3 0.05 0.06 0.21 -0.04 3.65 3.92 2k7zA17 LYS 353 H 0.20 0.17 0.39 -0.55 8.42 8.62 2k7zA17 LYS 353 HA 0.26 0.19 0.85 -0.75 4.32 4.86 2k7zA17 LYS 353 HB2 0.26 -0.08 0.08 -0.04 1.87 2.09 2k7zA17 LYS 353 HB3 0.14 0.16 -0.02 -0.04 1.79 2.03 2k7zA17 LYS 353 HG2 0.26 0.19 0.23 -0.04 1.46 2.09 2k7zA17 LYS 353 HG3 0.39 -0.14 -0.07 -0.04 1.46 1.60 2k7zA17 LYS 353 HD2 0.11 -0.12 -0.03 -0.04 1.69 1.61 2k7zA17 LYS 353 HD3 0.09 0.07 0.01 -0.04 1.68 1.82 2k7zA17 LYS 353 HE2 0.12 -0.14 0.00 -0.04 2.99 2.93 2k7zA17 LYS 353 HE3 0.14 -0.06 0.03 -0.04 2.99 3.06 2k7zA17 VAL 354 H 0.15 0.26 0.19 -0.55 8.24 8.29 2k7zA17 VAL 354 HA -0.45 0.33 0.89 -0.75 4.13 4.15 2k7zA17 VAL 354 HB -0.39 -0.01 0.14 -0.04 2.12 1.82 2k7zA17 VAL 354 HG13 -1.04 -0.02 -0.11 -0.04 0.97 -0.24 2k7zA17 VAL 354 HG23 -0.05 0.05 -0.20 -0.04 0.95 0.71 2k7zA17 PHE 355 H -1.05 0.21 0.14 -0.55 8.34 7.09 2k7zA17 PHE 355 HA -0.26 0.23 0.91 -0.75 4.62 4.74 2k7zA17 PHE 355 HB2 -0.14 0.01 0.04 -0.04 3.15 3.03 2k7zA17 PHE 355 HB3 -0.12 0.10 -0.02 -0.04 3.06 2.98 2k7zA17 PHE 355 HD2 -0.09 -0.01 -0.10 -0.04 7.28 7.04 2k7zA17 PHE 355 HE2 0.10 0.03 0.00 -0.04 7.38 7.47 2k7zA17 PHE 355 HZ 0.17 0.02 -0.08 -0.04 7.32 7.40 2k7zA17 PHE 356 H -0.14 0.49 0.19 -0.55 8.34 8.32 2k7zA17 PHE 356 HA -0.06 0.14 0.77 -0.75 4.62 4.72 2k7zA17 PHE 356 HB2 0.02 0.00 0.16 -0.04 3.15 3.30 2k7zA17 PHE 356 HB3 -0.01 0.03 0.04 -0.04 3.06 3.08 2k7zA17 PHE 356 HD2 -0.02 0.09 0.03 -0.04 7.28 7.35 2k7zA17 PHE 356 HE2 -0.12 0.04 -0.07 -0.04 7.38 7.20 2k7zA17 PHE 356 HZ -0.14 -0.01 -0.09 -0.04 7.32 7.04 2k7zA17 ILE 357 H 0.09 0.18 -0.07 -0.55 8.25 7.90 2k7zA17 ILE 357 HA 0.03 0.34 0.87 -0.75 4.18 4.66 2k7zA17 ILE 357 HB -0.02 -0.12 0.10 -0.04 1.89 1.82 2k7zA17 ILE 357 HG12 -0.08 0.00 -0.08 -0.04 1.49 1.29 2k7zA17 ILE 357 HG13 0.01 0.14 -0.19 -0.04 1.21 1.13 2k7zA17 ILE 357 HG23 -0.11 0.05 0.04 -0.04 0.93 0.87 2k7zA17 ILE 357 HD13 0.13 -0.03 -0.26 -0.04 0.88 0.68 2k7zA17 GLN 358 H 0.06 0.22 0.20 -0.55 8.47 8.41 2k7zA17 GLN 358 HA 0.03 0.03 0.24 -0.75 4.36 3.91 2k7zA17 GLN 358 HB2 0.02 -0.09 0.14 -0.04 2.15 2.18 2k7zA17 GLN 358 HB3 0.01 0.03 -0.01 -0.04 2.02 2.02 2k7zA17 GLN 358 HG2 0.04 0.04 -0.55 -0.04 2.40 1.88 2k7zA17 GLN 358 HG3 0.03 0.09 -0.01 -0.04 2.39 2.46 2k7zA17 GLN 358 HE21 0.00 0.05 -0.12 -0.04 6.97 6.86 2k7zA17 GLN 358 HE22 -0.01 -0.02 -0.07 -0.04 7.69 7.55 2k7zA17 ALA 359 H -0.03 -0.06 -0.44 -0.55 8.40 7.32 2k7zA17 ALA 359 HA -0.12 0.07 0.39 -0.75 4.34 3.94 2k7zA17 ALA 359 HB3 -0.07 0.01 0.10 -0.04 1.41 1.41 2k7zA17 ALA 360 H 0.05 0.30 0.39 -0.55 8.40 8.59 2k7zA17 ALA 360 HA -0.08 0.11 0.58 -0.75 4.34 4.20 2k7zA17 ALA 360 HB3 0.14 0.03 -0.04 -0.04 1.41 1.49 2k7zA17 GLN 361 H 0.22 0.24 0.24 -0.55 8.47 8.62 2k7zA17 GLN 361 HA 0.16 0.13 0.82 -0.75 4.36 4.71 2k7zA17 GLN 361 HB2 0.10 0.05 -0.07 -0.04 2.15 2.19 2k7zA17 GLN 361 HB3 0.17 0.03 0.10 -0.04 2.02 2.27 2k7zA17 GLN 361 HG2 0.10 0.06 0.00 -0.04 2.40 2.52 2k7zA17 GLN 361 HG3 0.11 -0.12 0.01 -0.04 2.39 2.35 2k7zA17 GLN 361 HE21 0.07 0.08 0.01 -0.04 6.97 7.09 2k7zA17 GLN 361 HE22 0.05 -0.01 0.03 -0.04 7.69 7.72 2k7zA17 GLY 362 H 0.12 0.17 0.10 -0.55 8.43 8.28 2k7zA17 GLY 362 HA2 0.03 0.17 0.75 -0.51 4.01 4.45 2k7zA17 GLY 362 HA3 0.03 -0.01 0.38 -0.51 4.01 3.90 2k7zA17 ASP 363 H 0.06 0.26 0.10 -0.55 8.40 8.27 2k7zA17 ASP 363 HA -0.01 0.14 0.79 -0.75 4.63 4.79 2k7zA17 ASP 363 HB2 0.05 -0.04 0.05 -0.04 2.71 2.73 2k7zA17 ASP 363 HB3 0.03 0.08 0.11 -0.04 2.70 2.88 2k7zA17 ASN 364 H -0.01 0.10 0.15 -0.55 8.53 8.22 2k7zA17 ASN 364 HA 0.02 0.13 0.63 -0.75 4.76 4.79 2k7zA17 ASN 364 HB2 -0.14 0.03 0.16 -0.04 2.88 2.89 2k7zA17 ASN 364 HB3 -0.06 0.00 0.10 -0.04 2.79 2.79 2k7zA17 ASN 364 HD21 -0.11 0.07 -0.09 -0.04 7.03 6.87 2k7zA17 ASN 364 HD22 -0.05 -0.01 -0.12 -0.04 7.74 7.53 2k7zA17 TYR 365 H -0.29 0.24 0.20 -0.55 8.29 7.89 2k7zA17 TYR 365 HA -0.01 0.13 0.64 -0.75 4.56 4.56 2k7zA17 TYR 365 HB2 -0.00 0.23 0.13 -0.04 3.06 3.37 2k7zA17 TYR 365 HB3 0.00 0.04 -0.10 -0.04 2.98 2.88 2k7zA17 TYR 365 HD2 0.00 -0.02 -0.15 -0.04 7.15 6.94 2k7zA17 TYR 365 HE2 0.00 -0.01 -0.02 -0.04 6.85 6.78 2k7zA17 GLN 366 H 0.12 0.34 -0.12 -0.55 8.47 8.26 2k7zA17 GLN 366 HA -0.00 0.06 0.52 -0.75 4.36 4.18 2k7zA17 GLN 366 HB2 -0.05 0.05 -0.21 -0.04 2.15 1.90 2k7zA17 GLN 366 HB3 -0.00 0.05 -0.06 -0.04 2.02 1.96 2k7zA17 GLN 366 HG2 -0.00 -0.01 -0.11 -0.04 2.40 2.24 2k7zA17 GLN 366 HG3 -0.04 0.01 0.05 -0.04 2.39 2.38 2k7zA17 GLN 366 HE21 -0.02 -0.01 -0.01 -0.04 6.97 6.89 2k7zA17 GLN 366 HE22 -0.01 0.00 -0.03 -0.04 7.69 7.61 2k7zA17 LYS 367 H 0.08 0.15 0.07 -0.55 8.42 8.16 2k7zA17 LYS 367 HA 0.05 0.02 0.31 -0.75 4.32 3.95 2k7zA17 LYS 367 HB2 0.02 0.02 0.17 -0.04 1.87 2.04 2k7zA17 LYS 367 HB3 0.02 -0.02 0.04 -0.04 1.79 1.79 2k7zA17 LYS 367 HG2 0.02 -0.07 -0.48 -0.04 1.46 0.88 2k7zA17 LYS 367 HG3 0.02 0.14 -0.12 -0.04 1.46 1.46 2k7zA17 LYS 367 HD2 0.01 -0.01 0.02 -0.04 1.69 1.67 2k7zA17 LYS 367 HD3 0.01 -0.03 -0.04 -0.04 1.68 1.58 2k7zA17 LYS 367 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.91 2k7zA17 LYS 367 HE3 0.00 0.01 -0.07 -0.04 2.99 2.90 2k7zA17 GLY 368 H 0.11 0.05 -0.50 -0.55 8.43 7.55 2k7zA17 GLY 368 HA2 0.01 -0.01 0.32 -0.51 4.01 3.81 2k7zA17 GLY 368 HA3 0.02 0.13 0.71 -0.51 4.01 4.36 2k7zA17 ILE 369 H 0.01 0.24 0.13 -0.55 8.25 8.08 2k7zA17 ILE 369 HA 0.04 0.16 0.86 -0.75 4.18 4.48 2k7zA17 ILE 369 HB -0.03 -0.09 0.08 -0.04 1.89 1.81 2k7zA17 ILE 369 HG12 -0.02 0.01 -0.04 -0.04 1.49 1.40 2k7zA17 ILE 369 HG13 -0.01 -0.04 -0.00 -0.04 1.21 1.12 2k7zA17 ILE 369 HG23 -0.00 0.01 -0.08 -0.04 0.93 0.81 2k7zA17 ILE 369 HD13 -0.03 0.01 -0.08 -0.04 0.88 0.74 2k7zA17 PRO 370 HA -0.03 0.11 0.51 -0.51 4.44 4.52 2k7zA17 PRO 370 HB2 -0.06 0.01 -0.01 -0.04 2.28 2.18 2k7zA17 PRO 370 HB3 -0.01 0.02 0.07 -0.04 2.02 2.06 2k7zA17 PRO 370 HG2 -0.08 -0.01 0.09 -0.04 2.03 1.99 2k7zA17 PRO 370 HG3 0.00 0.08 0.09 -0.04 2.03 2.16 2k7zA17 PRO 370 HD2 -0.01 0.06 0.27 -0.04 3.68 3.96 2k7zA17 PRO 370 HD3 0.04 0.23 0.26 -0.04 3.65 4.13 2k7zA17 VAL 371 H -0.13 0.01 -0.10 -0.55 8.24 7.46 2k7zA17 VAL 371 HA -0.57 0.10 0.51 -0.75 4.13 3.42 2k7zA17 VAL 371 HB -0.16 0.00 0.11 -0.04 2.12 2.03 2k7zA17 VAL 371 HG13 -0.27 0.01 0.08 -0.04 0.97 0.75 2k7zA17 VAL 371 HG23 -0.07 -0.00 -0.11 -0.04 0.95 0.73 2k7zA17 GLU 372 H -0.06 0.24 0.14 -0.55 8.60 8.38 2k7zA17 GLU 372 HA -0.02 0.12 0.66 -0.75 4.29 4.30 2k7zA17 GLU 372 HB2 -0.00 0.13 -0.20 -0.04 2.09 1.98 2k7zA17 GLU 372 HB3 0.02 -0.03 0.02 -0.04 1.99 1.97 2k7zA17 GLU 372 HG2 0.01 -0.29 0.07 -0.04 2.34 2.09 2k7zA17 GLU 372 HG3 -0.00 0.13 0.13 -0.04 2.34 2.56 2k7zA17 THR 373 H 0.00 0.22 0.09 -0.55 8.28 8.04 2k7zA17 THR 373 HA 0.02 0.24 0.70 -0.75 4.39 4.60 2k7zA17 THR 373 HB 0.00 0.01 0.09 -0.04 4.32 4.39 2k7zA17 THR 373 HG23 -0.00 0.01 -0.12 -0.04 1.22 1.07 2k7zA17 ASP 374 H 0.02 0.09 -0.09 -0.55 8.40 7.87 2k7zA17 ASP 374 HA 0.03 0.08 0.31 -0.75 4.63 4.29 2k7zA17 ASP 374 HB2 0.02 -0.00 0.10 -0.04 2.71 2.79 2k7zA17 ASP 374 HB3 0.02 0.01 -0.01 -0.04 2.70 2.69 2k7zA17 SER 375 H 0.04 0.06 -0.71 -0.55 8.46 7.31 2k7zA17 SER 375 HA 0.04 0.16 0.76 -0.75 4.49 4.70 2k7zA17 SER 375 HB2 0.04 0.01 0.10 -0.04 3.95 4.06 2k7zA17 SER 375 HB3 0.05 -0.01 0.09 -0.04 3.93 4.01 2k7zA17 GLU 376 H 0.05 0.29 -0.23 -0.55 8.60 8.16 2k7zA17 GLU 376 HA 0.07 0.06 0.75 -0.75 4.29 4.41 2k7zA17 GLU 376 HB2 0.08 0.01 0.09 -0.04 2.09 2.23 2k7zA17 GLU 376 HB3 0.06 0.13 0.03 -0.04 1.99 2.16 2k7zA17 GLU 376 HG2 0.12 0.14 -0.11 -0.04 2.34 2.45 2k7zA17 GLU 376 HG3 0.13 -0.18 0.07 -0.04 2.34 2.32 2k7zA17 GLU 377 H 0.06 0.10 0.02 -0.55 8.60 8.23 2k7zA17 GLU 377 HA 0.04 0.13 0.59 -0.75 4.29 4.30 2k7zA17 GLU 377 HB2 0.04 0.01 0.08 -0.04 2.09 2.18 2k7zA17 GLU 377 HB3 0.04 0.03 0.00 -0.04 1.99 2.02 2k7zA17 GLU 377 HG2 0.02 0.00 0.07 -0.04 2.34 2.39 2k7zA17 GLU 377 HG3 0.03 -0.08 0.15 -0.04 2.34 2.39 2k7zA17 GLN 378 H 0.03 0.07 0.08 -0.55 8.47 8.10 2k7zA17 GLN 378 HA 0.01 0.04 0.34 -0.75 4.36 3.99 2k7zA17 GLN 378 HB2 0.02 -0.04 0.14 -0.04 2.15 2.23 2k7zA17 GLN 378 HB3 0.01 0.02 -0.04 -0.04 2.02 1.97 2k7zA17 GLN 378 HG2 -0.01 0.02 0.07 -0.04 2.40 2.44 2k7zA17 GLN 378 HG3 0.00 -0.01 0.08 -0.04 2.39 2.42 2k7zA17 GLN 378 HE21 -0.01 0.01 0.01 -0.04 6.97 6.94 2k7zA17 GLN 378 HE22 -0.01 -0.00 0.00 -0.04 7.69 7.64 2k7zA17 PRO 379 HA 0.14 0.08 0.66 -0.51 4.44 4.81 2k7zA17 PRO 379 HB2 0.08 0.04 0.14 -0.04 2.28 2.50 2k7zA17 PRO 379 HB3 0.07 -0.02 0.10 -0.04 2.02 2.13 2k7zA17 PRO 379 HG2 0.05 0.02 0.05 -0.04 2.03 2.11 2k7zA17 PRO 379 HG3 0.04 -0.01 0.05 -0.04 2.03 2.07 2k7zA17 PRO 379 HD2 0.04 -0.05 -0.16 -0.04 3.68 3.47 2k7zA17 PRO 379 HD3 0.04 0.08 0.05 -0.04 3.65 3.78 2k7zA17 TYR 380 H 0.28 0.43 0.01 -0.55 8.29 8.46 2k7zA17 TYR 380 HA 0.01 0.07 0.47 -0.75 4.56 4.35 2k7zA17 TYR 380 HB2 0.01 -0.05 0.16 -0.04 3.06 3.13 2k7zA17 TYR 380 HB3 0.01 0.11 0.10 -0.04 2.98 3.15 2k7zA17 TYR 380 HD2 0.00 -0.06 -0.05 -0.04 7.15 7.01 2k7zA17 TYR 380 HE2 -0.00 -0.05 -0.07 -0.04 6.85 6.69 2k7zA17 LEU 381 H -0.24 0.21 0.17 -0.55 8.37 7.96 2k7zA17 LEU 381 HA -0.28 0.13 0.86 -0.75 4.35 4.30 2k7zA17 LEU 381 HB2 -0.14 0.10 0.02 -0.04 1.64 1.57 2k7zA17 LEU 381 HB3 -0.13 -0.07 0.11 -0.04 1.64 1.51 2k7zA17 LEU 381 HG -0.04 0.10 -0.26 -0.04 1.64 1.40 2k7zA17 LEU 381 HD13 -0.01 -0.01 0.04 -0.04 0.93 0.91 2k7zA17 LEU 381 HD23 -0.02 -0.01 -0.02 -0.04 0.89 0.81 2k7zA17 GLU 382 H -0.26 0.06 0.11 -0.55 8.60 7.96 2k7zA17 GLU 382 HA -0.31 0.16 0.59 -0.75 4.29 3.97 2k7zA17 GLU 382 HB2 -0.15 -0.03 0.06 -0.04 2.09 1.93 2k7zA17 GLU 382 HB3 -0.11 -0.01 0.15 -0.04 1.99 1.98 2k7zA17 GLU 382 HG2 -0.23 -0.02 -0.06 -0.04 2.34 1.98 2k7zA17 GLU 382 HG3 -0.11 0.00 0.02 -0.04 2.34 2.21 2k7zA17 MET 383 H -0.08 0.18 0.15 -0.55 8.47 8.17 2k7zA17 MET 383 HA -0.06 0.15 0.87 -0.75 4.52 4.73 2k7zA17 MET 383 HB2 -0.03 -0.03 0.10 -0.04 2.15 2.14 2k7zA17 MET 383 HB3 -0.03 0.07 -0.01 -0.04 2.03 2.01 2k7zA17 MET 383 HG2 -0.02 0.01 -0.02 -0.04 2.63 2.56 2k7zA17 MET 383 HG3 -0.05 0.09 -0.10 -0.04 2.56 2.47 2k7zA17 MET 383 HE3 0.02 0.00 -0.02 -0.04 2.10 2.06 2k7zA17 ASP 384 H -0.04 0.24 0.12 -0.55 8.40 8.18 2k7zA17 ASP 384 HA -0.03 0.15 0.70 -0.75 4.63 4.70 2k7zA17 ASP 384 HB2 -0.02 -0.02 0.13 -0.04 2.71 2.76 2k7zA17 ASP 384 HB3 -0.04 -0.01 -0.08 -0.04 2.70 2.53 2k7zA17 LEU 385 H -0.02 0.07 0.11 -0.55 8.37 7.98 2k7zA17 LEU 385 HA -0.03 0.07 0.61 -0.75 4.35 4.24 2k7zA17 LEU 385 HB2 -0.03 0.10 0.08 -0.04 1.64 1.75 2k7zA17 LEU 385 HB3 -0.03 -0.02 0.10 -0.04 1.64 1.65 2k7zA17 LEU 385 HG -0.02 -0.14 0.07 -0.04 1.64 1.51 2k7zA17 LEU 385 HD13 -0.02 0.02 -0.25 -0.04 0.93 0.64 2k7zA17 LEU 385 HD23 -0.02 0.00 -0.01 -0.04 0.89 0.82 2k7zA17 SER 386 H -0.05 0.12 0.15 -0.55 8.46 8.14 2k7zA17 SER 386 HA -0.01 0.09 0.75 -0.75 4.49 4.56 2k7zA17 SER 386 HB2 -0.04 0.01 0.00 -0.04 3.95 3.88 2k7zA17 SER 386 HB3 -0.08 -0.01 0.09 -0.04 3.93 3.88 2k7zA17 SER 387 H 0.01 0.07 0.09 -0.55 8.46 8.08 2k7zA17 SER 387 HA 0.02 0.02 0.33 -0.75 4.49 4.11 2k7zA17 SER 387 HB2 -0.01 0.09 -0.16 -0.04 3.95 3.82 2k7zA17 SER 387 HB3 -0.01 0.15 0.09 -0.04 3.93 4.13 2k7zA17 PRO 388 HA 0.01 -0.02 0.50 -0.51 4.44 4.42 2k7zA17 PRO 388 HB2 -0.03 0.14 0.03 -0.04 2.28 2.39 2k7zA17 PRO 388 HB3 0.04 0.02 0.10 -0.04 2.02 2.14 2k7zA17 PRO 388 HG2 -0.03 0.06 0.07 -0.04 2.03 2.09 2k7zA17 PRO 388 HG3 0.02 0.07 0.05 -0.04 2.03 2.13 2k7zA17 PRO 388 HD2 -0.01 0.07 0.20 -0.04 3.68 3.90 2k7zA17 PRO 388 HD3 0.02 0.12 0.12 -0.04 3.65 3.88 2k7zA17 GLN 389 H -0.02 0.04 0.19 -0.55 8.47 8.14 2k7zA17 GLN 389 HA -0.03 0.21 0.74 -0.75 4.36 4.53 2k7zA17 GLN 389 HB2 -0.03 0.00 0.10 -0.04 2.15 2.19 2k7zA17 GLN 389 HB3 -0.02 0.05 -0.01 -0.04 2.02 2.00 2k7zA17 GLN 389 HG2 -0.04 0.02 -0.15 -0.04 2.40 2.19 2k7zA17 GLN 389 HG3 -0.02 -0.01 -0.01 -0.04 2.39 2.31 2k7zA17 GLN 389 HE21 -0.00 -0.05 -0.01 -0.04 6.97 6.86 2k7zA17 GLN 389 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.63 2k7zA17 THR 390 H -0.08 0.03 0.10 -0.55 8.28 7.78 2k7zA17 THR 390 HA -0.07 0.22 0.79 -0.75 4.39 4.57 2k7zA17 THR 390 HB -0.09 0.01 0.17 -0.04 4.32 4.36 2k7zA17 THR 390 HG23 -0.06 0.03 -0.09 -0.04 1.22 1.07 2k7zA17 ARG 391 H -0.14 0.22 0.18 -0.55 8.46 8.17 2k7zA17 ARG 391 HA -0.38 0.18 0.75 -0.75 4.34 4.13 2k7zA17 ARG 391 HB2 -0.01 0.01 -0.01 -0.04 1.90 1.85 2k7zA17 ARG 391 HB3 -0.05 0.09 -0.12 -0.04 1.80 1.68 2k7zA17 ARG 391 HG2 -0.02 -0.04 -0.09 -0.04 1.67 1.48 2k7zA17 ARG 391 HG3 0.01 0.06 -0.10 -0.04 1.67 1.60 2k7zA17 ARG 391 HD2 -0.02 0.07 -0.15 -0.04 3.22 3.08 2k7zA17 ARG 391 HD3 -0.04 -0.12 -0.01 -0.04 3.22 3.01 2k7zA17 TYR 392 H 0.05 0.23 0.05 -0.55 8.29 8.07 2k7zA17 TYR 392 HA 0.02 0.12 0.72 -0.75 4.56 4.67 2k7zA17 TYR 392 HB2 0.03 0.03 0.20 -0.04 3.06 3.28 2k7zA17 TYR 392 HB3 -0.09 0.03 0.04 -0.04 2.98 2.91 2k7zA17 TYR 392 HD2 -0.07 0.02 -0.02 -0.04 7.15 7.04 2k7zA17 TYR 392 HE2 -0.00 0.01 -0.05 -0.04 6.85 6.77 2k7zA17 ILE 393 H 0.10 0.25 -0.07 -0.55 8.25 7.99 2k7zA17 ILE 393 HA 0.16 0.19 0.79 -0.75 4.18 4.57 2k7zA17 ILE 393 HB 0.10 0.07 -0.14 -0.04 1.89 1.88 2k7zA17 ILE 393 HG12 0.07 0.05 -0.00 -0.04 1.49 1.57 2k7zA17 ILE 393 HG13 0.08 -0.03 -0.04 -0.04 1.21 1.19 2k7zA17 ILE 393 HG23 0.06 0.01 -0.01 -0.04 0.93 0.95 2k7zA17 ILE 393 HD13 0.14 -0.03 0.03 -0.04 0.88 0.99 2k7zA17 PRO 394 HA 0.06 0.13 0.50 -0.51 4.44 4.61 2k7zA17 PRO 394 HB2 -0.02 0.07 0.03 -0.04 2.28 2.31 2k7zA17 PRO 394 HB3 -0.04 0.03 0.05 -0.04 2.02 2.02 2k7zA17 PRO 394 HG2 -0.11 -0.05 -0.04 -0.04 2.03 1.79 2k7zA17 PRO 394 HG3 -0.12 0.09 -0.03 -0.04 2.03 1.93 2k7zA17 PRO 394 HD2 0.21 0.17 0.06 -0.04 3.68 4.07 2k7zA17 PRO 394 HD3 0.07 0.07 -0.19 -0.04 3.65 3.56 2k7zA17 ASP 395 H 0.10 0.02 -0.44 -0.55 8.40 7.54 2k7zA17 ASP 395 HA 0.09 0.03 0.24 -0.75 4.63 4.24 2k7zA17 ASP 395 HB2 0.05 0.00 -0.13 -0.04 2.71 2.59 2k7zA17 ASP 395 HB3 0.04 0.12 0.06 -0.04 2.70 2.87 2k7zA17 GLU 396 H -0.03 -0.05 -0.25 -0.55 8.60 7.72 2k7zA17 GLU 396 HA -0.05 0.16 0.62 -0.75 4.29 4.26 2k7zA17 GLU 396 HB2 -0.77 -0.04 -0.05 -0.04 2.09 1.19 2k7zA17 GLU 396 HB3 -0.28 0.06 0.11 -0.04 1.99 1.84 2k7zA17 GLU 396 HG2 -0.06 0.01 -0.30 -0.04 2.34 1.95 2k7zA17 GLU 396 HG3 -0.02 0.02 -0.06 -0.04 2.34 2.25 2k7zA17 ALA 397 H -0.07 0.27 0.16 -0.55 8.40 8.21 2k7zA17 ALA 397 HA 0.29 0.16 0.65 -0.75 4.34 4.70 2k7zA17 ALA 397 HB3 0.07 -0.00 0.02 -0.04 1.41 1.45 2k7zA17 ASP 398 H 0.18 0.28 0.27 -0.55 8.40 8.57 2k7zA17 ASP 398 HA 0.13 -0.21 0.48 -0.75 4.63 4.28 2k7zA17 ASP 398 HB2 0.07 0.15 -0.08 -0.04 2.71 2.81 2k7zA17 ASP 398 HB3 0.08 0.06 -0.04 -0.04 2.70 2.76 2k7zA17 PHE 399 H 0.35 0.37 0.05 -0.55 8.34 8.56 2k7zA17 PHE 399 HA 0.07 -0.05 0.57 -0.75 4.62 4.45 2k7zA17 PHE 399 HB2 0.16 0.04 0.10 -0.04 3.15 3.41 2k7zA17 PHE 399 HB3 0.12 0.28 -0.24 -0.04 3.06 3.18 2k7zA17 PHE 399 HD2 0.23 -0.04 -0.28 -0.04 7.28 7.15 2k7zA17 PHE 399 HE2 0.15 0.10 -0.21 -0.04 7.38 7.38 2k7zA17 PHE 399 HZ 0.10 -0.06 -0.11 -0.04 7.32 7.21 2k7zA17 LEU 400 H -0.08 0.84 0.37 -0.55 8.37 8.96 2k7zA17 LEU 400 HA -0.34 0.06 0.92 -0.75 4.35 4.24 2k7zA17 LEU 400 HB2 -0.08 -0.05 -0.06 -0.04 1.64 1.41 2k7zA17 LEU 400 HB3 -0.23 0.01 0.07 -0.04 1.64 1.45 2k7zA17 LEU 400 HG -0.17 0.09 0.06 -0.04 1.64 1.58 2k7zA17 LEU 400 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.82 2k7zA17 LEU 400 HD23 -0.13 -0.02 -0.24 -0.04 0.89 0.45 2k7zA17 LEU 401 H -0.36 0.34 0.29 -0.55 8.37 8.10 2k7zA17 LEU 401 HA -1.04 0.04 0.86 -0.75 4.35 3.46 2k7zA17 LEU 401 HB2 -0.17 0.01 0.16 -0.04 1.64 1.60 2k7zA17 LEU 401 HB3 -0.13 0.18 0.33 -0.04 1.64 1.98 2k7zA17 LEU 401 HG 0.01 -0.21 0.15 -0.04 1.64 1.55 2k7zA17 LEU 401 HD13 0.16 0.02 0.07 -0.04 0.93 1.13 2k7zA17 LEU 401 HD23 0.01 0.02 -0.14 -0.04 0.89 0.73 2k7zA17 GLY 402 H -0.94 0.24 0.31 -0.55 8.43 7.50 2k7zA17 GLY 402 HA2 0.04 0.19 0.80 -0.51 4.01 4.53 2k7zA17 GLY 402 HA3 -0.40 -0.07 0.13 -0.51 4.01 3.16 2k7zA17 MET 403 H -0.07 0.04 0.13 -0.55 8.47 8.02 2k7zA17 MET 403 HA 0.05 -0.22 0.76 -0.75 4.52 4.35 2k7zA17 MET 403 HB2 0.09 0.05 0.11 -0.04 2.15 2.37 2k7zA17 MET 403 HB3 0.07 0.10 0.14 -0.04 2.03 2.30 2k7zA17 MET 403 HG2 -0.01 -0.06 0.13 -0.04 2.63 2.66 2k7zA17 MET 403 HG3 0.18 -0.00 0.16 -0.04 2.56 2.86 2k7zA17 MET 403 HE3 -0.82 0.00 0.01 -0.04 2.10 1.25 2k7zA17 ALA 404 H 0.04 0.10 0.02 -0.55 8.40 8.01 2k7zA17 ALA 404 HA 0.04 0.24 0.55 -0.75 4.34 4.42 2k7zA17 ALA 404 HB3 0.05 0.03 -0.13 -0.04 1.41 1.32 2k7zA17 PRO 415 HA -0.01 -0.07 0.22 -0.51 4.44 4.07 2k7zA17 PRO 415 HB2 -0.01 -0.01 -0.04 -0.04 2.28 2.18 2k7zA17 PRO 415 HB3 -0.01 -0.01 0.05 -0.04 2.02 2.01 2k7zA17 PRO 415 HG2 0.00 -0.01 0.08 -0.04 2.03 2.07 2k7zA17 PRO 415 HG3 0.00 -0.01 0.03 -0.04 2.03 2.01 2k7zA17 PRO 415 HD2 0.01 -0.00 0.05 -0.04 3.68 3.69 2k7zA17 PRO 415 HD3 0.00 -0.01 0.04 -0.04 3.65 3.64 2k7zA17 ALA 416 H -0.02 0.27 0.14 -0.55 8.40 8.24 2k7zA17 ALA 416 HA -0.01 0.12 0.43 -0.75 4.34 4.12 2k7zA17 ALA 416 HB3 -0.02 0.02 -0.06 -0.04 1.41 1.31 2k7zA17 GLU 417 H -0.02 0.15 0.13 -0.55 8.60 8.32 2k7zA17 GLU 417 HA -0.02 0.14 0.66 -0.75 4.29 4.31 2k7zA17 GLU 417 HB2 -0.01 0.03 0.08 -0.04 2.09 2.14 2k7zA17 GLU 417 HB3 -0.01 -0.01 0.08 -0.04 1.99 2.01 2k7zA17 GLU 417 HG2 -0.01 -0.07 0.16 -0.04 2.34 2.38 2k7zA17 GLU 417 HG3 -0.01 0.09 -0.04 -0.04 2.34 2.34 2k7zA17 GLY 418 H -0.03 0.07 0.01 -0.55 8.43 7.94 2k7zA17 GLY 418 HA2 -0.08 0.03 0.39 -0.51 4.01 3.85 2k7zA17 GLY 418 HA3 -0.05 0.10 0.34 -0.51 4.01 3.89 2k7zA17 THR 419 H -0.11 0.28 0.18 -0.55 8.28 8.09 2k7zA17 THR 419 HA 0.01 0.17 0.81 -0.75 4.39 4.62 2k7zA17 THR 419 HB -0.14 0.00 -0.03 -0.04 4.32 4.12 2k7zA17 THR 419 HG23 -0.08 0.02 0.05 -0.04 1.22 1.17 2k7zA17 TRP 420 H 0.12 0.30 0.15 -0.55 7.97 7.99 2k7zA17 TRP 420 HA -0.07 0.18 0.91 -0.75 4.62 4.88 2k7zA17 TRP 420 HB2 -0.02 0.10 -0.17 -0.04 3.23 3.09 2k7zA17 TRP 420 HB3 -0.01 -0.09 0.16 -0.04 3.23 3.25 2k7zA17 TRP 420 HD1 0.05 -0.09 0.13 -0.04 7.22 7.27 2k7zA17 TRP 420 HE1 0.04 0.06 0.02 -0.04 10.20 10.28 2k7zA17 TRP 420 HE3 -0.01 0.04 -0.06 -0.04 7.59 7.52 2k7zA17 TRP 420 HZ2 0.01 0.03 0.00 -0.04 7.44 7.45 2k7zA17 TRP 420 HZ3 -0.01 0.05 -0.03 -0.04 7.13 7.10 2k7zA17 TRP 420 HH2 -0.00 0.04 -0.01 -0.04 7.19 7.18 2k7zA17 TYR 421 H 0.29 0.26 0.16 -0.55 8.29 8.44 2k7zA17 TYR 421 HA 0.12 0.15 0.48 -0.75 4.56 4.56 2k7zA17 TYR 421 HB2 0.19 -0.03 0.16 -0.04 3.06 3.34 2k7zA17 TYR 421 HB3 0.11 0.06 0.06 -0.04 2.98 3.17 2k7zA17 TYR 421 HD2 0.10 0.10 0.16 -0.04 7.15 7.47 2k7zA17 TYR 421 HE2 0.06 0.03 0.05 -0.04 6.85 6.95 2k7zA17 ILE 422 H 0.30 -0.01 -0.22 -0.55 8.25 7.76 2k7zA17 ILE 422 HA -0.02 0.22 0.71 -0.75 4.18 4.34 2k7zA17 ILE 422 HB -0.69 -0.06 0.05 -0.04 1.89 1.15 2k7zA17 ILE 422 HG12 0.25 -0.05 -0.00 -0.04 1.49 1.65 2k7zA17 ILE 422 HG13 0.04 0.05 -0.00 -0.04 1.21 1.26 2k7zA17 ILE 422 HG23 -0.21 0.00 0.04 -0.04 0.93 0.73 2k7zA17 ILE 422 HD13 0.10 0.04 -0.11 -0.04 0.88 0.86 2k7zA17 GLN 423 H -0.14 -0.00 -0.18 -0.55 8.47 7.59 2k7zA17 GLN 423 HA -0.06 0.00 0.30 -0.75 4.36 3.85 2k7zA17 GLN 423 HB2 0.03 0.12 -0.11 -0.04 2.15 2.15 2k7zA17 GLN 423 HB3 -0.05 0.10 0.05 -0.04 2.02 2.09 2k7zA17 GLN 423 HG2 -0.01 0.21 0.12 -0.04 2.40 2.67 2k7zA17 GLN 423 HG3 0.02 -0.10 0.11 -0.04 2.39 2.37 2k7zA17 GLN 423 HE21 0.02 0.28 0.06 -0.04 6.97 7.29 2k7zA17 GLN 423 HE22 0.04 -0.09 0.07 -0.04 7.69 7.66 2k7zA17 SER 424 H -0.72 -0.04 -0.33 -0.55 8.46 6.83 2k7zA17 SER 424 HA -0.44 -0.08 0.20 -0.75 4.49 3.41 2k7zA17 SER 424 HB2 -0.17 0.30 0.16 -0.04 3.95 4.20 2k7zA17 SER 424 HB3 -0.19 -0.03 0.13 -0.04 3.93 3.80 2k7zA17 LEU 425 H -0.22 0.64 -0.28 -0.55 8.37 7.96 2k7zA17 LEU 425 HA -0.14 0.13 0.45 -0.75 4.35 4.03 2k7zA17 LEU 425 HB2 -0.10 0.17 0.19 -0.04 1.64 1.86 2k7zA17 LEU 425 HB3 -0.12 -0.09 0.25 -0.04 1.64 1.64 2k7zA17 LEU 425 HG -0.12 -0.04 -0.02 -0.04 1.64 1.42 2k7zA17 LEU 425 HD13 -0.03 0.07 0.09 -0.04 0.93 1.02 2k7zA17 LEU 425 HD23 -0.08 -0.02 -0.11 -0.04 0.89 0.65 2k7zA17 CYS 426 H -0.18 0.10 -0.05 -0.55 8.50 7.82 2k7zA17 CYS 426 HA -0.20 0.13 0.33 -0.75 4.58 4.09 2k7zA17 CYS 426 HB2 -0.11 0.07 -0.00 -0.04 2.97 2.89 2k7zA17 CYS 426 HB3 -0.10 0.03 0.05 -0.04 2.97 2.91 2k7zA17 GLN 427 H -0.20 -0.02 -0.44 -0.55 8.47 7.27 2k7zA17 GLN 427 HA -0.14 0.13 0.55 -0.75 4.36 4.16 2k7zA17 GLN 427 HB2 -0.12 0.05 0.02 -0.04 2.15 2.06 2k7zA17 GLN 427 HB3 -0.16 -0.08 -0.01 -0.04 2.02 1.73 2k7zA17 GLN 427 HG2 -0.23 -0.06 -0.02 -0.04 2.40 2.06 2k7zA17 GLN 427 HG3 -0.15 0.12 -0.23 -0.04 2.39 2.09 2k7zA17 GLN 427 HE21 -0.11 0.07 -0.06 -0.04 6.97 6.83 2k7zA17 GLN 427 HE22 -0.12 -0.03 -0.04 -0.04 7.69 7.46 2k7zA17 SER 428 H -0.17 0.35 -0.28 -0.55 8.46 7.81 2k7zA17 SER 428 HA -0.12 0.07 0.47 -0.75 4.49 4.15 2k7zA17 SER 428 HB2 -0.12 0.03 0.09 -0.04 3.95 3.91 2k7zA17 SER 428 HB3 -0.14 0.05 0.22 -0.04 3.93 4.02 2k7zA17 LEU 429 H -0.20 0.54 0.01 -0.55 8.37 8.17 2k7zA17 LEU 429 HA -0.19 0.04 0.24 -0.75 4.35 3.69 2k7zA17 LEU 429 HB2 -0.37 -0.04 0.03 -0.04 1.64 1.22 2k7zA17 LEU 429 HB3 -0.30 0.02 0.07 -0.04 1.64 1.39 2k7zA17 LEU 429 HG -0.30 0.08 0.05 -0.04 1.64 1.43 2k7zA17 LEU 429 HD13 -0.54 -0.00 -0.21 -0.04 0.93 0.14 2k7zA17 LEU 429 HD23 -0.53 -0.01 -0.06 -0.04 0.89 0.24 2k7zA17 ARG 430 H -0.22 0.22 -0.51 -0.55 8.46 7.40 2k7zA17 ARG 430 HA -0.24 0.11 0.56 -0.75 4.34 4.01 2k7zA17 ARG 430 HB2 -0.18 -0.07 0.14 -0.04 1.90 1.76 2k7zA17 ARG 430 HB3 -0.22 0.03 0.08 -0.04 1.80 1.64 2k7zA17 ARG 430 HG2 -0.14 0.09 0.03 -0.04 1.67 1.60 2k7zA17 ARG 430 HG3 -0.12 -0.02 -0.24 -0.04 1.67 1.25 2k7zA17 ARG 430 HD2 -0.10 -0.02 -0.00 -0.04 3.22 3.05 2k7zA17 ARG 430 HD3 -0.12 0.03 -0.04 -0.04 3.22 3.05 2k7zA17 GLU 431 H -0.14 0.46 -0.68 -0.55 8.60 7.69 2k7zA17 GLU 431 HA -0.08 0.02 0.70 -0.75 4.29 4.17 2k7zA17 GLU 431 HB2 -0.10 0.13 0.27 -0.04 2.09 2.35 2k7zA17 GLU 431 HB3 -0.07 -0.08 0.15 -0.04 1.99 1.94 2k7zA17 GLU 431 HG2 -0.08 -0.03 -0.06 -0.04 2.34 2.12 2k7zA17 GLU 431 HG3 -0.08 -0.07 -0.02 -0.04 2.34 2.13 2k7zA17 ARG 432 H -0.09 0.27 -0.26 -0.55 8.46 7.83 2k7zA17 ARG 432 HA -0.06 0.00 0.25 -0.75 4.34 3.78 2k7zA17 ARG 432 HB2 -0.04 0.10 -0.16 -0.04 1.90 1.76 2k7zA17 ARG 432 HB3 -0.03 0.02 0.06 -0.04 1.80 1.81 2k7zA17 ARG 432 HG2 -0.02 -0.04 -0.03 -0.04 1.67 1.54 2k7zA17 ARG 432 HG3 -0.03 0.04 0.02 -0.04 1.67 1.66 2k7zA17 ARG 432 HD2 -0.04 0.04 0.03 -0.04 3.22 3.20 2k7zA17 ARG 432 HD3 -0.05 -0.07 -0.15 -0.04 3.22 2.91 2k7zA17 CYS 433 H -0.11 0.15 -0.07 -0.55 8.50 7.93 2k7zA17 CYS 433 HA -0.08 -0.01 0.43 -0.75 4.58 4.17 2k7zA17 CYS 433 HB2 -0.16 0.26 0.20 -0.04 2.97 3.22 2k7zA17 CYS 433 HB3 -0.06 0.03 0.01 -0.04 2.97 2.91 2k7zA17 PRO 434 HA 0.05 -0.01 0.37 -0.51 4.44 4.34 2k7zA17 PRO 434 HB2 0.02 -0.17 0.10 -0.04 2.28 2.20 2k7zA17 PRO 434 HB3 0.03 0.20 0.05 -0.04 2.02 2.26 2k7zA17 PRO 434 HG2 -0.01 0.03 0.07 -0.04 2.03 2.07 2k7zA17 PRO 434 HG3 -0.02 0.13 -0.08 -0.04 2.03 2.02 2k7zA17 PRO 434 HD2 -0.05 -0.06 -0.06 -0.04 3.68 3.47 2k7zA17 PRO 434 HD3 -0.03 0.18 0.05 -0.04 3.65 3.81 2k7zA17 ARG 435 H 0.05 0.14 0.27 -0.55 8.46 8.37 2k7zA17 ARG 435 HA 0.04 0.20 0.84 -0.75 4.34 4.66 2k7zA17 ARG 435 HB2 0.01 -0.16 0.11 -0.04 1.90 1.83 2k7zA17 ARG 435 HB3 0.01 -0.04 0.05 -0.04 1.80 1.77 2k7zA17 ARG 435 HG2 -0.00 0.09 -0.72 -0.04 1.67 1.00 2k7zA17 ARG 435 HG3 -0.01 0.15 -0.12 -0.04 1.67 1.64 2k7zA17 ARG 435 HD2 -0.01 -0.09 -0.00 -0.04 3.22 3.08 2k7zA17 ARG 435 HD3 -0.02 0.13 -0.01 -0.04 3.22 3.28 2k7zA17 GLY 436 H 0.06 0.05 0.22 -0.55 8.43 8.22 2k7zA17 GLY 436 HA2 0.04 0.06 0.40 -0.51 4.01 4.00 2k7zA17 GLY 436 HA3 -0.02 0.09 0.38 -0.51 4.01 3.96 2k7zA17 ASP 437 H 0.01 0.07 0.16 -0.55 8.40 8.09 2k7zA17 ASP 437 HA -0.02 0.10 0.54 -0.75 4.63 4.50 2k7zA17 ASP 437 HB2 -0.01 0.06 0.03 -0.04 2.71 2.76 2k7zA17 ASP 437 HB3 -0.02 -0.03 0.13 -0.04 2.70 2.74 2k7zA17 ASP 438 H -0.00 0.14 0.17 -0.55 8.40 8.16 2k7zA17 ASP 438 HA 0.07 0.18 0.82 -0.75 4.63 4.94 2k7zA17 ASP 438 HB2 0.04 -0.06 0.01 -0.04 2.71 2.66 2k7zA17 ASP 438 HB3 0.04 0.08 -0.00 -0.04 2.70 2.77 2k7zA17 ILE 439 H 0.10 0.24 0.26 -0.55 8.25 8.30 2k7zA17 ILE 439 HA 0.02 0.05 0.41 -0.75 4.18 3.91 2k7zA17 ILE 439 HB 0.17 0.25 0.20 -0.04 1.89 2.47 2k7zA17 ILE 439 HG12 0.03 0.05 0.04 -0.04 1.49 1.56 2k7zA17 ILE 439 HG13 0.15 -0.11 0.10 -0.04 1.21 1.31 2k7zA17 ILE 439 HG23 0.13 0.01 -0.12 -0.04 0.93 0.91 2k7zA17 ILE 439 HD13 0.10 0.04 -0.07 -0.04 0.88 0.91 2k7zA17 LEU 440 H 0.04 0.10 -0.27 -0.55 8.37 7.70 2k7zA17 LEU 440 HA -0.02 0.09 0.36 -0.75 4.35 4.02 2k7zA17 LEU 440 HB2 0.02 -0.05 -0.04 -0.04 1.64 1.53 2k7zA17 LEU 440 HB3 0.05 0.07 0.01 -0.04 1.64 1.72 2k7zA17 LEU 440 HG 0.06 0.05 0.04 -0.04 1.64 1.74 2k7zA17 LEU 440 HD13 0.05 0.00 0.02 -0.04 0.93 0.97 2k7zA17 LEU 440 HD23 0.08 0.03 -0.02 -0.04 0.89 0.94 2k7zA17 THR 441 H -0.05 0.37 -0.37 -0.55 8.28 7.68 2k7zA17 THR 441 HA -0.21 0.16 0.73 -0.75 4.39 4.31 2k7zA17 THR 441 HB -0.06 0.02 0.11 -0.04 4.32 4.36 2k7zA17 THR 441 HG23 -0.08 0.01 -0.05 -0.04 1.22 1.06 2k7zA17 ILE 442 H -0.06 0.38 0.08 -0.55 8.25 8.10 2k7zA17 ILE 442 HA -0.07 0.03 0.24 -0.75 4.18 3.62 2k7zA17 ILE 442 HB -0.05 -0.02 0.13 -0.04 1.89 1.90 2k7zA17 ILE 442 HG12 -0.04 0.04 -0.06 -0.04 1.49 1.39 2k7zA17 ILE 442 HG13 -0.03 0.02 -0.19 -0.04 1.21 0.97 2k7zA17 ILE 442 HG23 -0.10 0.02 -0.12 -0.04 0.93 0.70 2k7zA17 ILE 442 HD13 -0.01 0.02 -0.14 -0.04 0.88 0.71 2k7zA17 LEU 443 H -0.07 0.54 -0.14 -0.55 8.37 8.15 2k7zA17 LEU 443 HA -0.07 0.02 0.41 -0.75 4.35 3.95 2k7zA17 LEU 443 HB2 -0.01 0.04 0.11 -0.04 1.64 1.75 2k7zA17 LEU 443 HB3 -0.09 0.03 0.05 -0.04 1.64 1.59 2k7zA17 LEU 443 HG 0.05 0.12 0.12 -0.04 1.64 1.88 2k7zA17 LEU 443 HD13 -0.01 -0.00 0.03 -0.04 0.93 0.91 2k7zA17 LEU 443 HD23 0.11 -0.03 0.06 -0.04 0.89 0.98 2k7zA17 THR 444 H -0.20 0.26 -0.28 -0.55 8.28 7.51 2k7zA17 THR 444 HA -0.11 0.08 0.62 -0.75 4.39 4.22 2k7zA17 THR 444 HB -0.25 -0.04 0.18 -0.04 4.32 4.17 2k7zA17 THR 444 HG23 -0.36 -0.00 -0.03 -0.04 1.22 0.79 2k7zA17 GLU 445 H -0.11 0.37 -0.47 -0.55 8.60 7.84 2k7zA17 GLU 445 HA -0.07 0.01 0.35 -0.75 4.29 3.82 2k7zA17 GLU 445 HB2 -0.08 -0.03 -0.07 -0.04 2.09 1.87 2k7zA17 GLU 445 HB3 -0.07 0.07 0.02 -0.04 1.99 1.97 2k7zA17 GLU 445 HG2 -0.06 -0.02 -0.05 -0.04 2.34 2.17 2k7zA17 GLU 445 HG3 -0.05 -0.00 0.01 -0.04 2.34 2.26 2k7zA17 VAL 446 H -0.07 0.22 -0.25 -0.55 8.24 7.59 2k7zA17 VAL 446 HA -0.04 0.13 0.50 -0.75 4.13 3.97 2k7zA17 VAL 446 HB -0.06 0.08 0.11 -0.04 2.12 2.21 2k7zA17 VAL 446 HG13 -0.09 -0.04 -0.14 -0.04 0.97 0.66 2k7zA17 VAL 446 HG23 -0.07 0.02 0.05 -0.04 0.95 0.90 2k7zA17 PRO 464 HA 0.07 -0.05 0.17 -0.51 4.44 4.12 2k7zA17 PRO 464 HB2 0.07 -0.03 0.05 -0.04 2.28 2.33 2k7zA17 PRO 464 HB3 0.06 -0.00 0.62 -0.04 2.02 2.65 2k7zA17 PRO 464 HG2 0.05 0.01 -0.01 -0.04 2.03 2.03 2k7zA17 PRO 464 HG3 0.04 0.00 0.04 -0.04 2.03 2.07 2k7zA17 PRO 464 HD2 0.04 -0.02 0.06 -0.04 3.68 3.73 2k7zA17 PRO 464 HD3 0.04 -0.01 0.06 -0.04 3.65 3.70 2k7zA17 GLN 465 H 0.07 0.10 -0.07 -0.55 8.47 8.02 2k7zA17 GLN 465 HA 0.06 0.17 0.69 -0.75 4.36 4.52 2k7zA17 GLN 465 HB2 0.06 0.01 0.10 -0.04 2.15 2.28 2k7zA17 GLN 465 HB3 0.05 0.08 -0.08 -0.04 2.02 2.03 2k7zA17 GLN 465 HG2 0.07 -0.03 -0.14 -0.04 2.40 2.26 2k7zA17 GLN 465 HG3 0.07 -0.00 0.06 -0.04 2.39 2.47 2k7zA17 GLN 465 HE21 0.07 0.02 0.03 -0.04 6.97 7.05 2k7zA17 GLN 465 HE22 0.06 -0.06 -0.04 -0.04 7.69 7.61 2k7zA17 PRO 466 HA 0.12 0.09 0.52 -0.51 4.44 4.66 2k7zA17 PRO 466 HB2 0.47 0.01 0.02 -0.04 2.28 2.74 2k7zA17 PRO 466 HB3 0.16 0.04 0.10 -0.04 2.02 2.28 2k7zA17 PRO 466 HG2 0.17 0.03 0.01 -0.04 2.03 2.20 2k7zA17 PRO 466 HG3 0.19 0.06 0.04 -0.04 2.03 2.27 2k7zA17 PRO 466 HD2 0.08 0.16 0.07 -0.04 3.68 3.95 2k7zA17 PRO 466 HD3 0.09 0.06 -0.04 -0.04 3.65 3.73 2k7zA17 THR 467 H 0.19 0.18 0.07 -0.55 8.28 8.16 2k7zA17 THR 467 HA -0.02 0.11 0.73 -0.75 4.39 4.46 2k7zA17 THR 467 HB -0.02 -0.05 0.11 -0.04 4.32 4.32 2k7zA17 THR 467 HG23 0.09 0.04 -0.01 -0.04 1.22 1.30 2k7zA17 PHE 468 H -0.31 0.27 0.03 -0.55 8.34 7.78 2k7zA17 PHE 468 HA -0.22 0.07 0.79 -0.75 4.62 4.51 2k7zA17 PHE 468 HB2 -0.08 -0.01 0.13 -0.04 3.15 3.16 2k7zA17 PHE 468 HB3 -0.09 0.07 -0.03 -0.04 3.06 2.96 2k7zA17 PHE 468 HD2 -0.03 -0.10 -0.09 -0.04 7.28 7.02 2k7zA17 PHE 468 HE2 -0.00 -0.01 0.00 -0.04 7.38 7.33 2k7zA17 PHE 468 HZ -0.00 0.00 0.02 -0.04 7.32 7.30 2k7zA17 THR 469 H -0.10 0.43 0.13 -0.55 8.28 8.19 2k7zA17 THR 469 HA -0.04 0.10 0.69 -0.75 4.39 4.39 2k7zA17 THR 469 HB 0.05 -0.06 0.10 -0.04 4.32 4.37 2k7zA17 THR 469 HG23 -0.12 0.01 -0.02 -0.04 1.22 1.05 2k7zA17 LEU 470 H 0.06 0.27 0.12 -0.55 8.37 8.28 2k7zA17 LEU 470 HA 0.09 0.02 0.98 -0.75 4.35 4.69 2k7zA17 LEU 470 HB2 0.07 0.03 0.06 -0.04 1.64 1.76 2k7zA17 LEU 470 HB3 0.07 0.03 0.03 -0.04 1.64 1.72 2k7zA17 LEU 470 HG 0.08 0.03 -0.34 -0.04 1.64 1.37 2k7zA17 LEU 470 HD13 0.03 0.00 -0.24 -0.04 0.93 0.68 2k7zA17 LEU 470 HD23 0.07 0.03 -0.21 -0.04 0.89 0.75 2k7zA17 ARG 471 H 0.06 0.18 0.19 -0.55 8.46 8.33 2k7zA17 ARG 471 HA 0.03 0.15 0.61 -0.75 4.34 4.38 2k7zA17 ARG 471 HB2 0.03 0.05 0.09 -0.04 1.90 2.04 2k7zA17 ARG 471 HB3 0.02 0.02 0.15 -0.04 1.80 1.96 2k7zA17 ARG 471 HG2 0.05 -0.09 0.04 -0.04 1.67 1.62 2k7zA17 ARG 471 HG3 0.03 0.06 0.03 -0.04 1.67 1.75 2k7zA17 ARG 471 HD2 0.03 0.04 -0.13 -0.04 3.22 3.11 2k7zA17 ARG 471 HD3 0.03 0.01 -0.08 -0.04 3.22 3.13 2k7zA17 LYS 472 H 0.05 0.07 -0.22 -0.55 8.42 7.77 2k7zA17 LYS 472 HA 0.03 0.13 0.74 -0.75 4.32 4.46 2k7zA17 LYS 472 HB2 0.04 0.00 0.02 -0.04 1.87 1.89 2k7zA17 LYS 472 HB3 0.02 0.03 0.08 -0.04 1.79 1.89 2k7zA17 LYS 472 HG2 0.02 0.01 -0.38 -0.04 1.46 1.06 2k7zA17 LYS 472 HG3 0.02 0.05 -0.03 -0.04 1.46 1.46 2k7zA17 LYS 472 HD2 0.02 -0.04 0.13 -0.04 1.69 1.76 2k7zA17 LYS 472 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 2k7zA17 LYS 472 HE2 0.01 0.05 0.01 -0.04 2.99 3.01 2k7zA17 LYS 472 HE3 0.01 0.00 0.04 -0.04 2.99 3.00 2k7zA17 LYS 473 H 0.02 0.10 0.15 -0.55 8.42 8.14 2k7zA17 LYS 473 HA 0.04 0.09 0.54 -0.75 4.32 4.23 2k7zA17 LYS 473 HB2 0.03 0.08 0.14 -0.04 1.87 2.07 2k7zA17 LYS 473 HB3 0.02 -0.11 0.14 -0.04 1.79 1.79 2k7zA17 LYS 473 HG2 0.04 -0.02 -0.07 -0.04 1.46 1.36 2k7zA17 LYS 473 HG3 0.04 0.04 0.04 -0.04 1.46 1.54 2k7zA17 LYS 473 HD2 0.03 0.10 0.04 -0.04 1.69 1.82 2k7zA17 LYS 473 HD3 0.06 -0.32 0.08 -0.04 1.68 1.45 2k7zA17 LYS 473 HE2 0.09 0.05 -0.00 -0.04 2.99 3.08 2k7zA17 LYS 473 HE3 0.12 0.02 -0.05 -0.04 2.99 3.03 2k7zA17 LEU 474 H 0.05 0.10 -0.02 -0.55 8.37 7.95 2k7zA17 LEU 474 HA 0.01 0.15 0.54 -0.75 4.35 4.29 2k7zA17 LEU 474 HB2 0.07 0.14 -0.30 -0.04 1.64 1.51 2k7zA17 LEU 474 HB3 0.09 -0.09 0.06 -0.04 1.64 1.66 2k7zA17 LEU 474 HG 0.31 -0.01 -0.16 -0.04 1.64 1.73 2k7zA17 LEU 474 HD13 0.15 0.02 -0.12 -0.04 0.93 0.94 2k7zA17 LEU 474 HD23 0.10 -0.00 -0.14 -0.04 0.89 0.81 2k7zA17 VAL 475 H -0.05 0.28 0.03 -0.55 8.24 7.96 2k7zA17 VAL 475 HA 0.22 0.00 0.83 -0.75 4.13 4.42 2k7zA17 VAL 475 HB 0.10 0.05 -0.13 -0.04 2.12 2.10 2k7zA17 VAL 475 HG13 0.16 0.03 -0.04 -0.04 0.97 1.09 2k7zA17 VAL 475 HG23 0.09 -0.04 -0.14 -0.04 0.95 0.81 2k7zA17 PHE 476 H 0.30 0.11 -0.05 -0.55 8.34 8.14 2k7zA17 PHE 476 HA -0.04 0.26 0.79 -0.75 4.62 4.87 2k7zA17 PHE 476 HB2 0.02 -0.05 0.06 -0.04 3.15 3.15 2k7zA17 PHE 476 HB3 -0.03 0.10 0.04 -0.04 3.06 3.13 2k7zA17 PHE 476 HD2 -0.13 -0.08 -0.30 -0.04 7.28 6.73 2k7zA17 PHE 476 HE2 -0.13 -0.01 -0.27 -0.04 7.38 6.93 2k7zA17 PHE 476 HZ -0.05 0.05 -0.34 -0.04 7.32 6.94 2k7zA17 PRO 477 HA 0.04 -0.02 0.51 -0.51 4.44 4.46 2k7zA17 PRO 477 HB2 -0.31 0.02 0.01 -0.04 2.28 1.95 2k7zA17 PRO 477 HB3 -0.05 -0.06 0.02 -0.04 2.02 1.88 2k7zA17 PRO 477 HG2 -0.34 0.37 -0.10 -0.04 2.03 1.91 2k7zA17 PRO 477 HG3 -0.66 0.00 0.04 -0.04 2.03 1.37 2k7zA17 PRO 477 HD2 -0.14 0.23 -0.02 -0.04 3.68 3.71 2k7zA17 PRO 477 HD3 -0.01 -0.12 -0.40 -0.04 3.65 3.08 2k7zA17 SER 478 H -0.01 0.09 0.04 -0.55 8.46 8.04 2k7zA17 SER 478 HA 0.00 0.18 0.52 -0.75 4.49 4.44 2k7zA17 SER 478 HB2 0.02 0.02 0.19 -0.04 3.95 4.14 2k7zA17 SER 478 HB3 -0.01 0.03 0.09 -0.04 3.93 4.01 2k7zA17 ASP 479 H -0.10 0.24 -0.78 -0.55 8.40 7.21 2k7zA17 ASP 479 HA -0.01 0.20 0.51 -0.75 4.63 4.57 2k7zA17 ASP 479 HB2 -0.20 0.03 -0.02 -0.04 2.71 2.48 2k7zA17 ASP 479 HB3 -0.06 -0.01 0.01 -0.04 2.70 2.60