============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 10 1.000 -5.735 32.884 16.225 -99.200 -91.000 TYR 16 0.840 -9.204 29.220 16.104 -99.200 -91.000 HIS 45 0.900 -4.679 8.372 12.962 -99.200 -91.000 HIS 53 0.900 -12.207 28.311 6.780 -99.200 -91.000 TYR 56 0.840 -5.373 28.857 11.735 -99.200 -91.000 TYR 58 0.840 -7.233 26.806 5.980 -99.200 -91.000 TYR 85 0.840 5.622 17.990 24.939 -99.200 -91.000 TYR 90 0.840 1.659 18.132 12.737 -99.200 -91.000 TYR 97 0.840 -12.084 31.019 0.263 -99.200 -91.000 PHE 99 1.000 -11.429 18.471 0.551 -99.200 -91.000 PHE 108 1.000 -3.814 20.897 10.489 -99.200 -91.000 TYR 116 0.840 7.700 2.324 14.911 -99.200 -91.000 PHE 122 1.000 14.426 6.976 21.354 -99.200 -91.000 TYR 129 0.840 -2.769 16.799 21.214 -99.200 -91.000 PHE 149 1.000 4.560 23.748 -0.792 -99.200 -91.000 PHE 156 1.000 0.908 29.280 -12.974 -99.200 -91.000 PHE 162 1.000 -0.145 20.529 -6.833 -99.200 -91.000 PHE 172 1.000 2.081 18.981 -3.138 -99.200 -91.000 HIS 182 0.900 -12.767 24.683 -3.322 -99.200 -91.000 PHE 187 1.000 -3.715 24.681 -13.090 -99.200 -91.000 TYR 195 0.840 0.769 10.312 -1.849 -99.200 -91.000 TYR 199 0.840 5.857 -1.631 2.430 -99.200 -91.000 TYR 208 0.840 -9.579 14.688 -3.246 -99.200 -91.000 HIS 216 0.900 -11.206 17.362 -11.979 -99.200 -91.000 PHE 219 1.000 -4.796 15.244 -9.766 -99.200 -91.000 PHE 233 1.000 14.506 6.348 -15.321 -99.200 -91.000 TYR 239 0.840 13.564 6.107 -3.029 -99.200 -91.000 HIS 242 0.900 14.468 6.490 -8.931 -99.200 -91.000 PHE 261 1.000 9.402 21.537 -11.954 -99.200 -91.000 TYR 262 0.840 3.310 24.867 -5.750 -99.200 -91.000 TYR 288 0.840 19.907 21.301 -4.512 -99.200 -91.000 PHE 291 1.000 17.400 23.428 -12.207 -99.200 -91.000 HIS 293 0.900 18.605 32.448 -5.046 -99.200 -91.000 HIS 294 0.900 17.834 30.754 -13.276 -99.200 -91.000 HIS 299 0.900 7.752 34.596 -8.283 -99.200 -91.000 PHE 302 1.000 6.336 28.455 -5.544 -99.200 -91.000 TYR 306 0.840 6.941 17.373 6.460 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rc5A1 PRO 7 HA -1.52 -0.25 -0.14 -0.51 4.44 2.02 2rc5A1 PRO 7 HB2 -0.01 -0.25 0.05 -0.04 2.28 2.03 2rc5A1 PRO 7 HB3 0.17 -0.09 0.01 -0.04 2.02 2.07 2rc5A1 PRO 7 HG2 -0.18 0.06 -0.08 -0.04 2.03 1.79 2rc5A1 PRO 7 HG3 -0.00 -0.18 0.03 -0.04 2.03 1.83 2rc5A1 PRO 7 HD2 -0.69 -0.31 0.24 -0.04 3.68 2.88 2rc5A1 PRO 7 HD3 -1.09 -0.05 0.12 -0.04 3.65 2.59 2rc5A1 THR 8 H -0.01 0.00 -0.00 -0.55 8.28 7.72 2rc5A1 THR 8 HA 0.14 -0.18 0.24 -0.75 4.39 3.83 2rc5A1 THR 8 HB 0.05 -0.10 0.12 -0.04 4.32 4.35 2rc5A1 THR 8 HG23 -0.03 0.06 0.00 -0.04 1.22 1.21 2rc5A1 ARG 9 H 0.08 -0.06 -0.02 -0.55 8.46 7.91 2rc5A1 ARG 9 HA -0.04 0.02 0.38 -0.75 4.34 3.95 2rc5A1 ARG 9 HB2 0.03 -0.01 -0.01 -0.04 1.90 1.87 2rc5A1 ARG 9 HB3 0.01 -0.05 0.10 -0.04 1.80 1.82 2rc5A1 ARG 9 HG2 0.07 -0.01 0.02 -0.04 1.67 1.70 2rc5A1 ARG 9 HG3 0.13 -0.07 0.05 -0.04 1.67 1.74 2rc5A1 ARG 9 HD2 0.04 0.07 0.03 -0.04 3.22 3.32 2rc5A1 ARG 9 HD3 0.07 0.03 0.02 -0.04 3.22 3.30 2rc5A1 GLU 10 H -0.02 0.01 0.06 -0.55 8.60 8.11 2rc5A1 GLU 10 HA -0.01 -0.03 0.39 -0.75 4.29 3.88 2rc5A1 GLU 10 HB2 -0.01 -0.11 -0.23 -0.04 2.09 1.71 2rc5A1 GLU 10 HB3 -0.02 0.16 0.32 -0.04 1.99 2.41 2rc5A1 GLU 10 HG2 -0.01 0.10 -0.08 -0.04 2.34 2.31 2rc5A1 GLU 10 HG3 -0.00 -0.07 0.02 -0.04 2.34 2.24 2rc5A1 PRO 11 HA -0.04 0.13 0.44 -0.51 4.44 4.46 2rc5A1 PRO 11 HB2 0.00 0.03 -0.09 -0.04 2.28 2.19 2rc5A1 PRO 11 HB3 0.00 -0.01 0.05 -0.04 2.02 2.02 2rc5A1 PRO 11 HG2 0.01 -0.00 0.10 -0.04 2.03 2.09 2rc5A1 PRO 11 HG3 0.02 0.05 0.05 -0.04 2.03 2.10 2rc5A1 PRO 11 HD2 -0.00 0.06 0.20 -0.04 3.68 3.90 2rc5A1 PRO 11 HD3 -0.01 0.06 0.15 -0.04 3.65 3.81 2rc5A1 GLN 12 H -0.06 0.26 0.19 -0.55 8.47 8.31 2rc5A1 GLN 12 HA -0.04 0.11 0.81 -0.75 4.36 4.49 2rc5A1 GLN 12 HB2 -0.10 0.02 0.03 -0.04 2.15 2.06 2rc5A1 GLN 12 HB3 -0.08 -0.03 0.03 -0.04 2.02 1.90 2rc5A1 GLN 12 HG2 -0.05 -0.02 -0.12 -0.04 2.40 2.17 2rc5A1 GLN 12 HG3 -0.06 0.26 -0.06 -0.04 2.39 2.48 2rc5A1 GLN 12 HE21 -0.05 -0.03 -0.00 -0.04 6.97 6.84 2rc5A1 GLN 12 HE22 -0.06 -0.04 -0.00 -0.04 7.69 7.55 2rc5A1 ILE 13 H -0.04 0.23 0.08 -0.55 8.25 7.97 2rc5A1 ILE 13 HA -0.04 0.33 0.72 -0.75 4.18 4.43 2rc5A1 ILE 13 HB -0.01 -0.07 0.10 -0.04 1.89 1.88 2rc5A1 ILE 13 HG12 -0.01 0.05 -0.10 -0.04 1.49 1.39 2rc5A1 ILE 13 HG13 -0.02 0.05 -0.10 -0.04 1.21 1.11 2rc5A1 ILE 13 HG23 0.00 -0.03 -0.43 -0.04 0.93 0.43 2rc5A1 ILE 13 HD13 0.00 -0.03 -0.07 -0.04 0.88 0.74 2rc5A1 ASN 14 H -0.01 0.54 0.16 -0.55 8.53 8.67 2rc5A1 ASN 14 HA 0.01 0.00 0.33 -0.75 4.76 4.35 2rc5A1 ASN 14 HB2 -0.02 0.14 -0.16 -0.04 2.88 2.79 2rc5A1 ASN 14 HB3 -0.01 -0.04 0.09 -0.04 2.79 2.79 2rc5A1 ASN 14 HD21 0.00 -0.06 -0.04 -0.04 7.03 6.89 2rc5A1 ASN 14 HD22 -0.01 0.07 -0.11 -0.04 7.74 7.65 2rc5A1 LEU 15 H -0.08 0.14 -0.47 -0.55 8.37 7.41 2rc5A1 LEU 15 HA -0.24 0.04 0.52 -0.75 4.35 3.92 2rc5A1 LEU 15 HB2 -0.17 0.13 0.19 -0.04 1.64 1.76 2rc5A1 LEU 15 HB3 -0.55 0.03 0.04 -0.04 1.64 1.13 2rc5A1 LEU 15 HG -0.14 -0.09 -0.21 -0.04 1.64 1.16 2rc5A1 LEU 15 HD13 -0.15 0.04 -0.02 -0.04 0.93 0.76 2rc5A1 LEU 15 HD23 -0.15 -0.00 0.01 -0.04 0.89 0.70 2rc5A1 PHE 16 H 0.10 0.45 0.08 -0.55 8.34 8.41 2rc5A1 PHE 16 HA 0.08 0.29 0.82 -0.75 4.62 5.05 2rc5A1 PHE 16 HB2 0.21 -0.16 -0.06 -0.04 3.15 3.10 2rc5A1 PHE 16 HB3 0.16 0.06 0.11 -0.04 3.06 3.36 2rc5A1 PHE 16 HD2 0.14 0.20 -0.18 -0.04 7.28 7.40 2rc5A1 PHE 16 HE2 0.12 0.15 -0.14 -0.04 7.38 7.47 2rc5A1 PHE 16 HZ 0.23 -0.08 -0.05 -0.04 7.32 7.37 2rc5A1 LYS 17 H 0.17 0.35 0.02 -0.55 8.42 8.41 2rc5A1 LYS 17 HA 0.09 0.09 0.71 -0.75 4.32 4.46 2rc5A1 LYS 17 HB2 0.05 -0.04 -0.02 -0.04 1.87 1.82 2rc5A1 LYS 17 HB3 0.04 -0.12 0.12 -0.04 1.79 1.79 2rc5A1 LYS 18 H 0.05 0.13 0.07 -0.55 8.42 8.11 2rc5A1 LYS 18 HA 0.05 0.13 0.33 -0.75 4.32 4.08 2rc5A1 LYS 18 HB2 0.02 0.08 0.00 -0.04 1.87 1.93 2rc5A1 LYS 18 HB3 0.03 -0.02 0.06 -0.04 1.79 1.81 2rc5A1 LYS 18 HG2 0.02 -0.07 0.09 -0.04 1.46 1.46 2rc5A1 LYS 18 HG3 0.02 0.03 -0.05 -0.04 1.46 1.43 2rc5A1 LYS 18 HD2 0.01 0.06 -0.05 -0.04 1.69 1.66 2rc5A1 LYS 18 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.60 2rc5A1 LYS 18 HE2 0.00 -0.02 -0.00 -0.04 2.99 2.92 2rc5A1 LYS 18 HE3 0.01 0.01 -0.02 -0.04 2.99 2.95 2rc5A1 SER 19 H 0.04 -0.03 -0.27 -0.55 8.46 7.66 2rc5A1 SER 19 HA 0.03 0.13 0.54 -0.75 4.49 4.44 2rc5A1 SER 19 HB2 0.02 0.05 0.03 -0.04 3.95 4.01 2rc5A1 SER 19 HB3 0.02 -0.03 0.04 -0.04 3.93 3.91 2rc5A1 ASN 20 H 0.08 -0.07 -0.32 -0.55 8.53 7.68 2rc5A1 ASN 20 HA 0.10 0.20 0.57 -0.75 4.76 4.87 2rc5A1 ASN 20 HB2 0.12 0.05 0.14 -0.04 2.88 3.14 2rc5A1 ASN 20 HB3 0.06 -0.05 -0.06 -0.04 2.79 2.70 2rc5A1 ASN 20 HD21 -0.20 0.39 0.23 -0.04 7.03 7.40 2rc5A1 ASN 20 HD22 0.04 -0.03 0.09 -0.04 7.74 7.81 2rc5A1 PRO 21 HA 0.22 0.11 0.45 -0.51 4.44 4.70 2rc5A1 PRO 21 HB2 0.03 -0.05 -0.07 -0.04 2.28 2.14 2rc5A1 PRO 21 HB3 0.07 -0.04 -0.07 -0.04 2.02 1.93 2rc5A1 PRO 21 HG2 0.02 -0.04 -0.07 -0.04 2.03 1.91 2rc5A1 PRO 21 HG3 0.03 0.03 -0.01 -0.04 2.03 2.04 2rc5A1 PRO 21 HD2 0.07 0.07 -0.03 -0.04 3.68 3.74 2rc5A1 PRO 21 HD3 0.07 0.29 -0.30 -0.04 3.65 3.66 2rc5A1 TYR 22 H 0.05 0.79 0.30 -0.55 8.29 8.88 2rc5A1 TYR 22 HA -0.40 0.16 0.88 -0.75 4.56 4.44 2rc5A1 TYR 22 HB2 -1.86 0.07 -0.08 -0.04 3.06 1.16 2rc5A1 TYR 22 HB3 -0.45 -0.08 -0.03 -0.04 2.98 2.37 2rc5A1 TYR 22 HD2 -0.65 -0.00 -0.23 -0.04 7.15 6.22 2rc5A1 TYR 22 HE2 -0.08 -0.02 -0.03 -0.04 6.85 6.68 2rc5A1 LYS 23 H -0.69 0.19 0.09 -0.55 8.42 7.45 2rc5A1 LYS 23 HA -0.17 0.26 0.80 -0.75 4.32 4.45 2rc5A1 LYS 23 HB2 -0.29 -0.02 0.13 -0.04 1.87 1.65 2rc5A1 LYS 23 HB3 -0.16 -0.01 -0.05 -0.04 1.79 1.53 2rc5A1 LYS 23 HG2 -0.14 0.04 -0.16 -0.04 1.46 1.16 2rc5A1 LYS 23 HG3 -0.10 -0.01 -0.05 -0.04 1.46 1.26 2rc5A1 LYS 23 HD2 -0.06 -0.03 -0.14 -0.04 1.69 1.43 2rc5A1 LYS 23 HD3 -0.08 0.07 -0.21 -0.04 1.68 1.43 2rc5A1 LYS 23 HE2 -0.03 -0.03 -0.11 -0.04 2.99 2.78 2rc5A1 LYS 23 HE3 -0.04 0.03 -0.18 -0.04 2.99 2.77 2rc5A1 ALA 24 H -0.08 0.63 0.31 -0.55 8.40 8.72 2rc5A1 ALA 24 HA -0.02 0.22 0.96 -0.75 4.34 4.75 2rc5A1 ALA 24 HB3 0.07 -0.01 -0.04 -0.04 1.41 1.39 2rc5A1 LYS 25 H -0.00 0.26 0.22 -0.55 8.42 8.35 2rc5A1 LYS 25 HA -0.02 0.36 0.93 -0.75 4.32 4.85 2rc5A1 LYS 25 HB2 -0.00 -0.06 0.10 -0.04 1.87 1.87 2rc5A1 LYS 25 HB3 -0.01 0.04 0.00 -0.04 1.79 1.79 2rc5A1 LYS 25 HG2 -0.04 -0.04 -0.13 -0.04 1.46 1.21 2rc5A1 LYS 25 HG3 -0.02 -0.01 -0.03 -0.04 1.46 1.36 2rc5A1 LYS 25 HD2 -0.02 0.18 -0.20 -0.04 1.69 1.61 2rc5A1 LYS 25 HD3 -0.03 -0.05 -0.27 -0.04 1.68 1.29 2rc5A1 LYS 25 HE2 -0.04 -0.04 -0.09 -0.04 2.99 2.79 2rc5A1 LYS 25 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.88 2rc5A1 VAL 26 H -0.02 0.69 0.24 -0.55 8.24 8.60 2rc5A1 VAL 26 HA -0.01 0.08 0.61 -0.75 4.13 4.05 2rc5A1 VAL 26 HB -0.03 -0.12 0.12 -0.04 2.12 2.05 2rc5A1 VAL 26 HG13 -0.04 0.01 -0.44 -0.04 0.97 0.46 2rc5A1 VAL 26 HG23 -0.06 0.07 -0.12 -0.04 0.95 0.80 2rc5A1 ILE 27 H -0.01 0.69 0.47 -0.55 8.25 8.86 2rc5A1 ILE 27 HA -0.00 0.11 0.82 -0.75 4.18 4.35 2rc5A1 ILE 27 HB -0.00 0.00 0.03 -0.04 1.89 1.88 2rc5A1 ILE 27 HG12 0.01 0.02 -0.04 -0.04 1.49 1.44 2rc5A1 ILE 27 HG13 0.01 -0.02 -0.13 -0.04 1.21 1.03 2rc5A1 ILE 27 HG23 -0.00 -0.01 -0.13 -0.04 0.93 0.75 2rc5A1 ILE 27 HD13 0.02 0.00 -0.24 -0.04 0.88 0.62 2rc5A1 SER 28 H -0.01 0.44 0.35 -0.55 8.46 8.69 2rc5A1 SER 28 HA -0.01 0.17 0.68 -0.75 4.49 4.58 2rc5A1 SER 28 HB2 -0.01 -0.01 0.03 -0.04 3.95 3.92 2rc5A1 SER 28 HB3 -0.01 0.10 -0.23 -0.04 3.93 3.75 2rc5A1 ASN 29 H 0.00 0.24 -0.03 -0.55 8.53 8.20 2rc5A1 ASN 29 HA 0.03 0.23 0.71 -0.75 4.76 4.97 2rc5A1 ASN 29 HB2 -0.04 -0.01 -0.09 -0.04 2.88 2.70 2rc5A1 ASN 29 HB3 -0.01 0.11 0.00 -0.04 2.79 2.86 2rc5A1 ASN 29 HD21 -0.19 0.28 -0.24 -0.04 7.03 6.83 2rc5A1 ASN 29 HD22 -0.07 0.64 -0.07 -0.04 7.74 8.20 2rc5A1 VAL 30 H 0.02 0.43 0.22 -0.55 8.24 8.36 2rc5A1 VAL 30 HA -0.00 0.26 1.18 -0.75 4.13 4.82 2rc5A1 VAL 30 HB -0.03 0.05 0.12 -0.04 2.12 2.22 2rc5A1 VAL 30 HG13 -0.02 0.01 -0.07 -0.04 0.97 0.84 2rc5A1 VAL 30 HG23 -0.05 0.03 -0.15 -0.04 0.95 0.75 2rc5A1 LEU 31 H -0.17 0.18 0.18 -0.55 8.37 8.01 2rc5A1 LEU 31 HA -0.82 0.06 0.64 -0.75 4.35 3.46 2rc5A1 LEU 31 HB2 -0.40 0.04 0.11 -0.04 1.64 1.34 2rc5A1 LEU 31 HB3 -0.17 -0.01 0.16 -0.04 1.64 1.58 2rc5A1 LEU 31 HG -0.14 0.29 -0.16 -0.04 1.64 1.59 2rc5A1 LEU 31 HD13 -0.21 0.02 0.00 -0.04 0.93 0.71 2rc5A1 LEU 31 HD23 -0.04 -0.01 -0.07 -0.04 0.89 0.72 2rc5A1 LEU 32 H -0.18 0.86 0.53 -0.55 8.37 9.03 2rc5A1 LEU 32 HA -0.04 0.10 0.67 -0.75 4.35 4.32 2rc5A1 LEU 32 HB2 0.00 0.06 0.00 -0.04 1.64 1.66 2rc5A1 LEU 32 HB3 0.02 -0.13 0.01 -0.04 1.64 1.50 2rc5A1 LEU 32 HG -0.03 0.06 -0.01 -0.04 1.64 1.61 2rc5A1 LEU 32 HD13 0.04 -0.04 -0.21 -0.04 0.93 0.67 2rc5A1 LEU 32 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.76 2rc5A1 THR 33 H -0.06 0.03 0.19 -0.55 8.28 7.89 2rc5A1 THR 33 HA 0.00 0.31 0.87 -0.75 4.39 4.82 2rc5A1 THR 33 HB 0.01 0.11 0.21 -0.04 4.32 4.61 2rc5A1 THR 33 HG23 0.05 -0.00 -0.01 -0.04 1.22 1.22 2rc5A1 PRO 34 HA -0.02 0.02 0.36 -0.51 4.44 4.28 2rc5A1 PRO 34 HB2 -0.04 0.19 -0.29 -0.04 2.28 2.10 2rc5A1 PRO 34 HB3 -0.03 -0.04 0.00 -0.04 2.02 1.92 2rc5A1 PRO 34 HG2 -0.03 -0.16 0.08 -0.04 2.03 1.88 2rc5A1 PRO 34 HG3 -0.01 0.05 0.10 -0.04 2.03 2.12 2rc5A1 PRO 34 HD2 -0.01 0.04 0.12 -0.04 3.68 3.79 2rc5A1 PRO 34 HD3 0.00 0.38 0.29 -0.04 3.65 4.28 2rc5A1 GLU 35 H -0.02 0.04 0.13 -0.55 8.60 8.21 2rc5A1 GLU 35 HA -0.01 0.05 0.53 -0.75 4.29 4.11 2rc5A1 GLU 35 HB2 -0.01 -0.04 0.11 -0.04 2.09 2.11 2rc5A1 GLU 35 HB3 -0.00 0.06 0.08 -0.04 1.99 2.08 2rc5A1 GLU 35 HG2 -0.01 0.01 0.08 -0.04 2.34 2.38 2rc5A1 GLU 35 HG3 -0.02 -0.00 0.08 -0.04 2.34 2.36 2rc5A1 THR 36 H 0.01 0.06 0.14 -0.55 8.28 7.94 2rc5A1 THR 36 HA -0.02 0.12 0.29 -0.75 4.39 4.03 2rc5A1 THR 36 HB 0.02 -0.06 0.10 -0.04 4.32 4.34 2rc5A1 THR 36 HG23 0.02 -0.01 0.06 -0.04 1.22 1.25 2rc5A1 GLY 37 H -0.05 0.25 0.14 -0.55 8.43 8.23 2rc5A1 GLY 37 HA2 -0.04 0.05 0.38 -0.51 4.01 3.89 2rc5A1 GLY 37 HA3 -0.02 0.05 0.69 -0.51 4.01 4.22 2rc5A1 THR 38 H -0.03 0.32 -0.61 -0.55 8.28 7.41 2rc5A1 THR 38 HA -0.04 0.09 0.66 -0.75 4.39 4.35 2rc5A1 THR 38 HB -0.03 0.04 -0.01 -0.04 4.32 4.28 2rc5A1 THR 38 HG23 -0.02 -0.07 0.10 -0.04 1.22 1.19 2rc5A1 GLY 39 H -0.04 0.03 0.11 -0.55 8.43 7.97 2rc5A1 GLY 39 HA2 -0.06 -0.05 0.35 -0.51 4.01 3.74 2rc5A1 GLY 39 HA3 -0.08 0.07 0.43 -0.51 4.01 3.92 2rc5A1 LYS 40 H -0.15 -0.04 0.13 -0.55 8.42 7.81 2rc5A1 LYS 40 HA -0.17 0.16 0.28 -0.75 4.32 3.84 2rc5A1 LYS 40 HB2 -0.22 -0.18 0.13 -0.04 1.87 1.55 2rc5A1 LYS 40 HB3 -0.29 0.07 0.01 -0.04 1.79 1.54 2rc5A1 LYS 40 HG2 -0.00 0.11 0.03 -0.04 1.46 1.55 2rc5A1 LYS 40 HG3 -0.04 -0.02 -0.00 -0.04 1.46 1.36 2rc5A1 LYS 40 HD2 0.07 -0.21 0.08 -0.04 1.69 1.58 2rc5A1 LYS 40 HD3 0.17 -0.01 0.06 -0.04 1.68 1.85 2rc5A1 LYS 40 HE2 0.03 0.10 0.02 -0.04 2.99 3.10 2rc5A1 LYS 40 HE3 0.02 0.02 0.02 -0.04 2.99 3.01 2rc5A1 ARG 41 H -0.43 -0.06 -0.14 -0.55 8.46 7.28 2rc5A1 ARG 41 HA -0.78 -0.02 0.30 -0.75 4.34 3.09 2rc5A1 ARG 41 HB2 -0.27 -0.24 -0.01 -0.04 1.90 1.34 2rc5A1 ARG 41 HB3 -0.20 -0.01 0.05 -0.04 1.80 1.60 2rc5A1 ARG 41 HG2 -0.13 0.62 -0.28 -0.04 1.67 1.84 2rc5A1 ARG 41 HG3 -0.05 -0.13 -0.18 -0.04 1.67 1.27 2rc5A1 ARG 41 HD2 -0.10 -0.16 -0.45 -0.04 3.22 2.48 2rc5A1 ARG 41 HD3 -0.10 -0.11 -0.96 -0.04 3.22 2.00 2rc5A1 PRO 42 HA -0.08 0.09 0.58 -0.51 4.44 4.52 2rc5A1 PRO 42 HB2 -0.02 -0.19 0.22 -0.04 2.28 2.24 2rc5A1 PRO 42 HB3 -0.03 -0.01 0.17 -0.04 2.02 2.11 2rc5A1 PRO 42 HG2 0.02 0.06 -0.00 -0.04 2.03 2.07 2rc5A1 PRO 42 HG3 0.04 -0.05 0.08 -0.04 2.03 2.07 2rc5A1 PRO 42 HD2 -0.04 -0.09 0.19 -0.04 3.68 3.70 2rc5A1 PRO 42 HD3 -0.16 0.25 0.26 -0.04 3.65 3.97 2rc5A1 LYS 43 H -0.03 -0.15 0.22 -0.55 8.42 7.91 2rc5A1 LYS 43 HA -0.05 0.07 -0.22 -0.75 4.32 3.37 2rc5A1 LYS 44 H -0.01 0.07 0.03 -0.55 8.42 7.96 2rc5A1 LYS 44 HA -0.00 -0.07 0.04 -0.75 4.32 3.54 2rc5A1 GLU 45 H -0.00 -0.02 -0.08 -0.55 8.60 7.95 2rc5A1 GLU 45 HA 0.00 -0.15 0.33 -0.75 4.29 3.72 2rc5A1 GLU 45 HB2 -0.00 0.66 0.35 -0.04 2.09 3.05 2rc5A1 GLU 45 HB3 0.01 -0.00 0.03 -0.04 1.99 1.99 2rc5A1 GLU 45 HG2 0.07 -0.09 -0.00 -0.04 2.34 2.28 2rc5A1 GLU 45 HG3 0.05 -0.05 -0.19 -0.04 2.34 2.11 2rc5A1 GLY 46 H -0.14 -0.03 -0.02 -0.55 8.43 7.71 2rc5A1 GLY 46 HA2 -0.54 0.19 -0.36 -0.51 4.01 2.79 2rc5A1 GLY 46 HA3 -1.20 -0.15 0.31 -0.51 4.01 2.46 2rc5A1 GLU 47 H -1.13 0.06 0.17 -0.55 8.60 7.14 2rc5A1 GLU 47 HA -0.15 0.31 0.95 -0.75 4.29 4.64 2rc5A1 GLU 47 HB2 0.14 -0.09 0.08 -0.04 2.09 2.18 2rc5A1 GLU 47 HB3 0.05 -0.08 -0.03 -0.04 1.99 1.90 2rc5A1 GLU 47 HG2 -0.01 -0.02 0.06 -0.04 2.34 2.32 2rc5A1 GLU 47 HG3 -0.11 0.20 -0.14 -0.04 2.34 2.25 2rc5A1 ALA 48 H -0.03 0.29 0.00 -0.55 8.40 8.12 2rc5A1 ALA 48 HA 0.07 0.13 0.51 -0.75 4.34 4.30 2rc5A1 ALA 48 HB3 0.05 0.01 0.09 -0.04 1.41 1.52 2rc5A1 LEU 49 H 0.10 0.20 -0.06 -0.55 8.37 8.06 2rc5A1 LEU 49 HA 0.06 0.21 0.82 -0.75 4.35 4.68 2rc5A1 LEU 49 HB2 0.13 -0.07 0.17 -0.04 1.64 1.82 2rc5A1 LEU 49 HB3 0.19 0.08 0.02 -0.04 1.64 1.89 2rc5A1 LEU 49 HG 0.07 -0.12 -0.16 -0.04 1.64 1.38 2rc5A1 LEU 49 HD13 0.09 0.00 0.00 -0.04 0.93 0.98 2rc5A1 LEU 49 HD23 0.03 0.04 -0.06 -0.04 0.89 0.86 2rc5A1 VAL 50 H 0.04 0.23 0.19 -0.55 8.24 8.16 2rc5A1 VAL 50 HA 0.15 0.27 0.89 -0.75 4.13 4.68 2rc5A1 VAL 50 HB 0.07 0.00 0.02 -0.04 2.12 2.17 2rc5A1 VAL 50 HG13 0.10 -0.01 -0.33 -0.04 0.97 0.69 2rc5A1 VAL 50 HG23 0.11 0.01 -0.20 -0.04 0.95 0.82 2rc5A1 HIS 51 H 0.19 0.57 0.26 -0.55 8.41 8.88 2rc5A1 HIS 51 HA -0.00 0.25 1.06 -0.75 4.63 5.18 2rc5A1 HIS 51 HB2 -0.05 -0.00 0.02 -0.04 3.26 3.19 2rc5A1 HIS 51 HB3 -0.04 0.07 -0.25 -0.04 3.20 2.94 2rc5A1 HIS 51 HD2 -0.04 0.08 -0.41 -0.04 6.97 6.57 2rc5A1 HIS 51 HE1 -0.00 -0.07 -0.12 -0.04 7.75 7.51 2rc5A1 ARG 52 H 0.02 0.64 0.30 -0.55 8.46 8.86 2rc5A1 ARG 52 HA 0.03 0.25 1.04 -0.75 4.34 4.91 2rc5A1 ARG 52 HB2 -0.01 -0.06 0.06 -0.04 1.90 1.86 2rc5A1 ARG 52 HB3 -0.02 -0.03 0.17 -0.04 1.80 1.89 2rc5A1 ARG 52 HG2 -0.02 0.04 -0.24 -0.04 1.67 1.41 2rc5A1 ARG 52 HG3 -0.02 -0.02 -0.06 -0.04 1.67 1.53 2rc5A1 ARG 52 HD2 -0.06 -0.04 -0.06 -0.04 3.22 3.01 2rc5A1 ARG 52 HD3 -0.06 0.00 -0.07 -0.04 3.22 3.05 2rc5A1 ILE 53 H 0.04 0.74 0.31 -0.55 8.25 8.80 2rc5A1 ILE 53 HA 0.01 0.30 1.07 -0.75 4.18 4.81 2rc5A1 ILE 53 HB 0.09 -0.11 0.09 -0.04 1.89 1.92 2rc5A1 ILE 53 HG12 -0.11 0.20 -0.11 -0.04 1.49 1.43 2rc5A1 ILE 53 HG13 -0.00 -0.01 -0.27 -0.04 1.21 0.89 2rc5A1 ILE 53 HG23 -0.01 0.02 -0.17 -0.04 0.93 0.73 2rc5A1 ILE 53 HD13 -0.08 0.00 -0.24 -0.04 0.88 0.52 2rc5A1 VAL 54 H -0.01 0.78 0.32 -0.55 8.24 8.79 2rc5A1 VAL 54 HA -0.05 0.30 1.09 -0.75 4.13 4.72 2rc5A1 VAL 54 HB -0.01 -0.12 0.17 -0.04 2.12 2.12 2rc5A1 VAL 54 HG13 0.00 0.01 -0.13 -0.04 0.97 0.80 2rc5A1 VAL 54 HG23 -0.02 -0.00 -0.19 -0.04 0.95 0.69 2rc5A1 LEU 55 H -0.05 0.73 0.35 -0.55 8.37 8.85 2rc5A1 LEU 55 HA 0.00 0.14 1.05 -0.75 4.35 4.79 2rc5A1 LEU 55 HB2 -0.00 -0.06 -0.05 -0.04 1.64 1.49 2rc5A1 LEU 55 HB3 0.02 0.10 -0.15 -0.04 1.64 1.57 2rc5A1 LEU 55 HG 0.10 -0.05 -0.31 -0.04 1.64 1.35 2rc5A1 LEU 55 HD13 0.12 -0.00 -0.19 -0.04 0.93 0.82 2rc5A1 LEU 55 HD23 -0.01 0.02 -0.29 -0.04 0.89 0.57 2rc5A1 ALA 56 H 0.02 0.87 0.32 -0.55 8.40 9.07 2rc5A1 ALA 56 HA 0.06 0.24 0.90 -0.75 4.34 4.79 2rc5A1 ALA 56 HB3 0.04 -0.03 0.13 -0.04 1.41 1.51 2rc5A1 ILE 57 H 0.13 0.53 0.21 -0.55 8.25 8.57 2rc5A1 ILE 57 HA 0.23 0.15 0.65 -0.75 4.18 4.46 2rc5A1 ILE 57 HB -0.15 0.04 -0.14 -0.04 1.89 1.61 2rc5A1 ILE 57 HG12 0.07 -0.14 -0.54 -0.04 1.49 0.83 2rc5A1 ILE 57 HG13 0.23 -0.02 -0.48 -0.04 1.21 0.89 2rc5A1 ILE 57 HG23 -0.09 -0.01 -0.32 -0.04 0.93 0.47 2rc5A1 ILE 57 HD13 -0.09 0.04 -0.23 -0.04 0.88 0.56 2rc5A1 ASP 58 H 0.32 0.18 0.05 -0.55 8.40 8.41 2rc5A1 ASP 58 HA 0.17 0.18 0.77 -0.75 4.63 5.00 2rc5A1 ASP 58 HB2 0.19 0.09 0.12 -0.04 2.71 3.06 2rc5A1 ASP 58 HB3 0.27 0.00 0.21 -0.04 2.70 3.14 2rc5A1 HIS 59 H 0.29 0.39 0.04 -0.55 8.41 8.57 2rc5A1 HIS 59 HA 0.04 0.23 0.22 -0.75 4.63 4.36 2rc5A1 HIS 59 HB2 0.03 0.09 0.11 -0.04 3.26 3.45 2rc5A1 HIS 59 HB3 -0.02 -0.01 -0.04 -0.04 3.20 3.08 2rc5A1 HIS 59 HD2 0.06 0.11 -0.46 -0.04 6.97 6.64 2rc5A1 HIS 59 HE1 -0.12 0.08 -0.05 -0.04 7.75 7.61 2rc5A1 SER 60 H 0.13 -0.01 -0.32 -0.55 8.46 7.72 2rc5A1 SER 60 HA 0.06 0.17 0.58 -0.75 4.49 4.55 2rc5A1 SER 60 HB2 0.09 -0.06 -0.02 -0.04 3.95 3.92 2rc5A1 SER 60 HB3 0.07 0.04 -0.01 -0.04 3.93 3.99 2rc5A1 ALA 61 H 0.13 -0.00 -0.26 -0.55 8.40 7.72 2rc5A1 ALA 61 HA 0.21 0.13 0.66 -0.75 4.34 4.58 2rc5A1 ALA 61 HB3 0.33 -0.01 0.06 -0.04 1.41 1.76 2rc5A1 TYR 62 H 0.04 0.63 -0.06 -0.55 8.29 8.35 2rc5A1 TYR 62 HA 0.03 0.22 0.76 -0.75 4.56 4.81 2rc5A1 TYR 62 HB2 -0.73 -0.07 -0.12 -0.04 3.06 2.10 2rc5A1 TYR 62 HB3 -0.25 -0.05 0.04 -0.04 2.98 2.68 2rc5A1 TYR 62 HD2 -0.18 0.01 -0.16 -0.04 7.15 6.77 2rc5A1 TYR 62 HE2 0.01 -0.04 -0.30 -0.04 6.85 6.49 2rc5A1 PRO 63 HA -0.22 0.11 0.40 -0.51 4.44 4.23 2rc5A1 PRO 63 HB2 -0.11 0.14 0.06 -0.04 2.28 2.33 2rc5A1 PRO 63 HB3 -0.06 0.04 0.00 -0.04 2.02 1.96 2rc5A1 PRO 63 HG2 -0.10 -0.04 -0.00 -0.04 2.03 1.84 2rc5A1 PRO 63 HG3 -0.05 0.03 -0.06 -0.04 2.03 1.91 2rc5A1 PRO 63 HD2 -0.14 0.03 -0.05 -0.04 3.68 3.48 2rc5A1 PRO 63 HD3 -0.00 0.15 -1.00 -0.04 3.65 2.76 2rc5A1 TYR 64 H -0.17 0.37 0.00 -0.55 8.29 7.93 2rc5A1 TYR 64 HA -0.19 -0.00 0.33 -0.75 4.56 3.95 2rc5A1 TYR 64 HB2 -0.05 -0.07 0.01 -0.04 3.06 2.92 2rc5A1 TYR 64 HB3 -0.06 -0.04 -0.04 -0.04 2.98 2.79 2rc5A1 TYR 64 HD2 -0.06 0.07 -0.32 -0.04 7.15 6.80 2rc5A1 TYR 64 HE2 -0.22 0.03 -0.23 -0.04 6.85 6.38 2rc5A1 VAL 65 H 0.05 0.08 0.18 -0.55 8.24 8.00 2rc5A1 VAL 65 HA -0.14 0.16 0.82 -0.75 4.13 4.22 2rc5A1 VAL 65 HB -0.00 -0.06 0.01 -0.04 2.12 2.03 2rc5A1 VAL 65 HG13 -0.05 0.02 0.02 -0.04 0.97 0.92 2rc5A1 VAL 65 HG23 -0.08 0.05 -0.20 -0.04 0.95 0.67 2rc5A1 ILE 66 H -0.03 0.05 0.11 -0.55 8.25 7.84 2rc5A1 ILE 66 HA 0.06 0.10 0.58 -0.75 4.18 4.17 2rc5A1 ILE 66 HB -0.01 -0.04 0.05 -0.04 1.89 1.85 2rc5A1 ILE 66 HG12 -0.11 -0.17 -0.32 -0.04 1.49 0.85 2rc5A1 ILE 66 HG13 -0.07 0.05 -0.13 -0.04 1.21 1.01 2rc5A1 ILE 66 HG23 -0.08 0.00 -0.03 -0.04 0.93 0.79 2rc5A1 ILE 66 HD13 -0.08 0.08 -0.19 -0.04 0.88 0.65 2rc5A1 GLY 67 H 0.01 0.17 0.20 -0.55 8.43 8.27 2rc5A1 GLY 67 HA2 0.26 -0.14 0.40 -0.51 4.01 4.03 2rc5A1 GLY 67 HA3 0.19 0.44 0.94 -0.51 4.01 5.07 2rc5A1 GLN 68 H 0.07 0.41 -0.08 -0.55 8.47 8.32 2rc5A1 GLN 68 HA 0.06 0.14 0.82 -0.75 4.36 4.62 2rc5A1 GLN 68 HB2 0.08 0.07 0.16 -0.04 2.15 2.42 2rc5A1 GLN 68 HB3 0.04 -0.07 0.20 -0.04 2.02 2.15 2rc5A1 GLN 68 HG2 0.05 0.24 -0.07 -0.04 2.40 2.58 2rc5A1 GLN 68 HG3 0.05 -0.02 -0.08 -0.04 2.39 2.30 2rc5A1 GLN 68 HE21 -0.02 0.43 -0.10 -0.04 6.97 7.24 2rc5A1 GLN 68 HE22 0.01 0.45 -0.12 -0.04 7.69 7.99 2rc5A1 SER 69 H 0.02 0.65 0.39 -0.55 8.46 8.97 2rc5A1 SER 69 HA 0.05 0.15 0.94 -0.75 4.49 4.88 2rc5A1 SER 69 HB2 -0.02 -0.06 -0.01 -0.04 3.95 3.82 2rc5A1 SER 69 HB3 -0.06 -0.05 -0.15 -0.04 3.93 3.64 2rc5A1 GLY 70 H 0.23 0.71 0.27 -0.55 8.43 9.10 2rc5A1 GLY 70 HA2 0.26 0.18 0.93 -0.51 4.01 4.87 2rc5A1 GLY 70 HA3 0.32 0.05 0.32 -0.51 4.01 4.20 2rc5A1 GLY 71 H 0.14 0.60 0.14 -0.55 8.43 8.77 2rc5A1 GLY 71 HA2 -0.05 0.21 0.86 -0.51 4.01 4.52 2rc5A1 GLY 71 HA3 0.03 -0.07 0.17 -0.51 4.01 3.63 2rc5A1 VAL 72 H -0.01 0.73 0.29 -0.55 8.24 8.70 2rc5A1 VAL 72 HA 0.00 0.37 0.98 -0.75 4.13 4.73 2rc5A1 VAL 72 HB 0.12 -0.09 0.05 -0.04 2.12 2.16 2rc5A1 VAL 72 HG13 0.10 -0.00 -0.28 -0.04 0.97 0.75 2rc5A1 VAL 72 HG23 -0.18 0.00 -0.25 -0.04 0.95 0.48 2rc5A1 ILE 73 H 0.01 0.71 0.12 -0.55 8.25 8.54 2rc5A1 ILE 73 HA -0.01 0.15 0.73 -0.75 4.18 4.30 2rc5A1 ILE 73 HB -0.00 -0.02 0.05 -0.04 1.89 1.87 2rc5A1 ILE 73 HG12 0.02 -0.04 -0.14 -0.04 1.49 1.29 2rc5A1 ILE 73 HG13 0.02 -0.08 -0.33 -0.04 1.21 0.78 2rc5A1 ILE 73 HG23 0.01 0.09 -0.17 -0.04 0.93 0.82 2rc5A1 ILE 73 HD13 0.03 -0.01 -0.14 -0.04 0.88 0.72 2rc5A1 PRO 74 HA -0.75 0.13 0.55 -0.51 4.44 3.87 2rc5A1 PRO 74 HB2 -0.50 0.12 -0.07 -0.04 2.28 1.78 2rc5A1 PRO 74 HB3 -0.27 -0.06 0.00 -0.04 2.02 1.65 2rc5A1 PRO 74 HG2 -0.38 0.01 -0.00 -0.04 2.03 1.61 2rc5A1 PRO 74 HG3 -0.23 -0.15 0.02 -0.04 2.03 1.63 2rc5A1 PRO 74 HD2 -0.00 0.16 -0.01 -0.04 3.68 3.79 2rc5A1 PRO 74 HD3 -0.05 0.19 0.03 -0.04 3.65 3.79 2rc5A1 PRO 75 HA -0.08 0.07 0.42 -0.51 4.44 4.34 2rc5A1 PRO 75 HB2 -0.07 0.00 -0.01 -0.04 2.28 2.16 2rc5A1 PRO 75 HB3 -0.12 0.05 0.12 -0.04 2.02 2.04 2rc5A1 PRO 75 HG2 -0.26 -0.00 0.05 -0.04 2.03 1.78 2rc5A1 PRO 75 HG3 -0.21 0.07 0.08 -0.04 2.03 1.93 2rc5A1 PRO 75 HD2 -1.61 0.02 0.21 -0.04 3.68 2.25 2rc5A1 PRO 75 HD3 -1.00 0.19 0.23 -0.04 3.65 3.03 2rc5A1 GLY 76 H 0.00 0.10 0.14 -0.55 8.43 8.13 2rc5A1 GLY 76 HA2 0.02 -0.02 0.31 -0.51 4.01 3.81 2rc5A1 GLY 76 HA3 0.12 0.21 0.64 -0.51 4.01 4.46 2rc5A1 GLU 77 H -0.04 0.11 0.14 -0.55 8.60 8.27 2rc5A1 GLU 77 HA -0.18 0.24 0.77 -0.75 4.29 4.37 2rc5A1 GLU 77 HB2 -0.08 -0.03 0.05 -0.04 2.09 1.98 2rc5A1 GLU 77 HB3 -0.11 0.01 -0.01 -0.04 1.99 1.84 2rc5A1 GLU 77 HG2 -0.06 0.05 -0.11 -0.04 2.34 2.18 2rc5A1 GLU 77 HG3 -0.04 -0.03 0.02 -0.04 2.34 2.24 2rc5A1 ASP 78 H -0.41 1.09 0.27 -0.55 8.40 8.81 2rc5A1 ASP 78 HA -0.98 0.18 0.73 -0.75 4.63 3.80 2rc5A1 ASP 78 HB2 -0.83 0.07 -0.09 -0.04 2.71 1.81 2rc5A1 ASP 78 HB3 -0.31 -0.02 0.02 -0.04 2.70 2.35 2rc5A1 PRO 79 HA -0.07 0.08 0.37 -0.51 4.44 4.30 2rc5A1 PRO 79 HB2 -0.01 0.05 0.01 -0.04 2.28 2.28 2rc5A1 PRO 79 HB3 -0.02 0.09 0.12 -0.04 2.02 2.17 2rc5A1 PRO 79 HG2 0.01 -0.06 0.14 -0.04 2.03 2.09 2rc5A1 PRO 79 HG3 0.04 0.11 0.12 -0.04 2.03 2.26 2rc5A1 PRO 79 HD2 -0.11 0.05 0.32 -0.04 3.68 3.89 2rc5A1 PRO 79 HD3 -0.06 0.37 0.28 -0.04 3.65 4.19 2rc5A1 GLU 80 H -0.06 0.15 -0.12 -0.55 8.60 8.03 2rc5A1 GLU 80 HA -0.03 0.12 0.50 -0.75 4.29 4.13 2rc5A1 GLU 80 HB2 -0.03 0.03 0.10 -0.04 2.09 2.15 2rc5A1 GLU 80 HB3 -0.04 -0.03 0.03 -0.04 1.99 1.91 2rc5A1 GLU 80 HG2 -0.03 0.01 -0.17 -0.04 2.34 2.11 2rc5A1 GLU 80 HG3 -0.03 0.03 0.04 -0.04 2.34 2.35 2rc5A1 LYS 81 H -0.10 0.21 -0.29 -0.55 8.42 7.68 2rc5A1 LYS 81 HA -0.05 0.14 0.61 -0.75 4.32 4.26 2rc5A1 LYS 81 HB2 -0.13 0.24 0.14 -0.04 1.87 2.08 2rc5A1 LYS 81 HB3 -0.07 -0.26 0.09 -0.04 1.79 1.51 2rc5A1 LYS 81 HG2 -0.05 0.03 0.00 -0.04 1.46 1.40 2rc5A1 LYS 81 HG3 -0.07 -0.06 -0.05 -0.04 1.46 1.24 2rc5A1 LYS 81 HD2 -0.13 0.08 -0.20 -0.04 1.69 1.40 2rc5A1 LYS 81 HD3 -0.07 -0.19 -0.11 -0.04 1.68 1.26 2rc5A1 LYS 81 HE2 -0.03 -0.03 -0.02 -0.04 2.99 2.87 2rc5A1 LYS 81 HE3 -0.03 -0.10 0.01 -0.04 2.99 2.83 2rc5A1 LYS 82 H -0.09 0.53 0.02 -0.55 8.42 8.33 2rc5A1 LYS 82 HA -0.05 -0.00 0.58 -0.75 4.32 4.10 2rc5A1 LYS 82 HB2 -0.05 0.09 0.08 -0.04 1.87 1.95 2rc5A1 LYS 82 HB3 -0.04 0.02 0.01 -0.04 1.79 1.74 2rc5A1 LYS 82 HG2 -0.07 -0.04 -0.02 -0.04 1.46 1.28 2rc5A1 LYS 82 HG3 -0.10 0.15 -0.21 -0.04 1.46 1.25 2rc5A1 LYS 82 HD2 -0.04 0.02 -0.04 -0.04 1.69 1.59 2rc5A1 LYS 82 HD3 -0.06 -0.02 -0.07 -0.04 1.68 1.48 2rc5A1 LYS 82 HE2 -0.08 -0.02 -0.32 -0.04 2.99 2.53 2rc5A1 LYS 82 HE3 -0.04 0.02 -0.04 -0.04 2.99 2.89 2rc5A1 ALA 83 H -0.04 0.54 -0.12 -0.55 8.40 8.24 2rc5A1 ALA 83 HA -0.02 0.07 0.46 -0.75 4.34 4.09 2rc5A1 ALA 83 HB3 -0.02 -0.00 0.10 -0.04 1.41 1.45 2rc5A1 LYS 84 H -0.03 0.25 -0.29 -0.55 8.42 7.79 2rc5A1 LYS 84 HA -0.02 0.11 0.64 -0.75 4.32 4.30 2rc5A1 LYS 84 HB2 -0.03 -0.03 0.14 -0.04 1.87 1.91 2rc5A1 LYS 84 HB3 -0.02 -0.03 0.08 -0.04 1.79 1.78 2rc5A1 LYS 84 HG2 -0.02 -0.01 0.03 -0.04 1.46 1.41 2rc5A1 LYS 84 HG3 -0.03 0.07 0.06 -0.04 1.46 1.52 2rc5A1 LYS 84 HD2 -0.03 -0.05 -0.05 -0.04 1.69 1.52 2rc5A1 LYS 84 HD3 -0.02 -0.02 0.00 -0.04 1.68 1.60 2rc5A1 LYS 84 HE2 -0.02 -0.02 0.00 -0.04 2.99 2.90 2rc5A1 LYS 84 HE3 -0.02 -0.05 -0.01 -0.04 2.99 2.87 2rc5A1 GLY 85 H -0.03 0.12 -0.68 -0.55 8.43 7.30 2rc5A1 GLY 85 HA2 -0.03 0.00 0.31 -0.51 4.01 3.79 2rc5A1 GLY 85 HA3 -0.02 0.05 0.32 -0.51 4.01 3.85 2rc5A1 LEU 86 H -0.03 0.29 0.11 -0.55 8.37 8.19 2rc5A1 LEU 86 HA -0.02 0.29 0.40 -0.75 4.35 4.26 2rc5A1 LEU 86 HB2 -0.04 0.06 0.16 -0.04 1.64 1.78 2rc5A1 LEU 86 HB3 -0.03 -0.27 0.05 -0.04 1.64 1.35 2rc5A1 LEU 86 HG -0.02 0.02 0.03 -0.04 1.64 1.63 2rc5A1 LEU 86 HD13 -0.02 0.03 -0.20 -0.04 0.93 0.70 2rc5A1 LEU 86 HD23 -0.03 -0.02 0.02 -0.04 0.89 0.81 2rc5A1 ALA 87 H -0.03 0.09 -0.09 -0.55 8.40 7.82 2rc5A1 ALA 87 HA -0.02 0.03 0.26 -0.75 4.34 3.85 2rc5A1 ALA 87 HB3 -0.02 0.09 0.19 -0.04 1.41 1.64 2rc5A1 ASP 88 H -0.03 0.08 -0.88 -0.55 8.40 7.03 2rc5A1 ASP 88 HA -0.02 0.16 0.58 -0.75 4.63 4.59 2rc5A1 ASP 88 HB2 -0.02 0.11 0.05 -0.04 2.71 2.80 2rc5A1 ASP 88 HB3 -0.04 -0.31 0.14 -0.04 2.70 2.46 2rc5A1 VAL 89 H -0.06 0.09 -0.02 -0.55 8.24 7.70 2rc5A1 VAL 89 HA -0.10 -0.10 0.26 -0.75 4.13 3.44 2rc5A1 VAL 89 HB -0.05 0.27 -0.52 -0.04 2.12 1.78 2rc5A1 VAL 89 HG13 -0.08 0.00 -0.09 -0.04 0.97 0.77 2rc5A1 VAL 89 HG23 -0.05 -0.06 -0.21 -0.04 0.95 0.59 2rc5A1 GLY 90 H -0.06 0.39 -0.66 -0.55 8.43 7.56 2rc5A1 GLY 90 HA2 -0.09 0.20 0.56 -0.51 4.01 4.18 2rc5A1 GLY 90 HA3 -0.03 0.09 0.23 -0.51 4.01 3.79 2rc5A1 TYR 91 H 0.04 0.35 0.10 -0.55 8.29 8.24 2rc5A1 TYR 91 HA -0.04 -0.11 0.46 -0.75 4.56 4.12 2rc5A1 TYR 91 HB2 -0.07 0.30 0.07 -0.04 3.06 3.32 2rc5A1 TYR 91 HB3 -0.05 0.04 -0.02 -0.04 2.98 2.91 2rc5A1 TYR 91 HD2 -0.06 0.11 -0.18 -0.04 7.15 6.98 2rc5A1 TYR 91 HE2 -0.04 -0.01 -0.04 -0.04 6.85 6.72 2rc5A1 THR 92 H 0.10 0.00 0.16 -0.55 8.28 7.99 2rc5A1 THR 92 HA 0.02 0.07 0.54 -0.75 4.39 4.28 2rc5A1 THR 92 HB 0.01 0.00 0.09 -0.04 4.32 4.38 2rc5A1 THR 92 HG23 0.03 -0.02 0.08 -0.04 1.22 1.27 2rc5A1 VAL 93 H 0.01 0.04 0.10 -0.55 8.24 7.84 2rc5A1 VAL 93 HA -0.01 0.29 0.39 -0.75 4.13 4.05 2rc5A1 VAL 93 HB -0.02 -0.06 -0.00 -0.04 2.12 2.00 2rc5A1 VAL 93 HG13 -0.02 -0.02 -0.33 -0.04 0.97 0.56 2rc5A1 VAL 93 HG23 0.02 0.00 -0.09 -0.04 0.95 0.84 2rc5A1 ARG 94 H -0.04 0.69 0.39 -0.55 8.46 8.95 2rc5A1 ARG 94 HA -0.19 0.09 0.81 -0.75 4.34 4.31 2rc5A1 ARG 94 HB2 -0.00 0.05 0.19 -0.04 1.90 2.10 2rc5A1 ARG 94 HB3 -0.47 0.04 -0.00 -0.04 1.80 1.33 2rc5A1 ARG 94 HG2 -0.05 -0.18 0.08 -0.04 1.67 1.48 2rc5A1 ARG 94 HG3 -0.13 0.03 0.13 -0.04 1.67 1.66 2rc5A1 ARG 94 HD2 -0.04 0.24 -0.30 -0.04 3.22 3.08 2rc5A1 ARG 94 HD3 -0.04 0.04 0.05 -0.04 3.22 3.24 2rc5A1 LEU 95 H -0.33 0.11 0.08 -0.55 8.37 7.68 2rc5A1 LEU 95 HA -0.21 0.26 0.76 -0.75 4.35 4.40 2rc5A1 LEU 95 HB2 -0.26 -0.05 0.04 -0.04 1.64 1.34 2rc5A1 LEU 95 HB3 -0.18 0.01 -0.09 -0.04 1.64 1.34 2rc5A1 LEU 95 HG -0.12 -0.01 -0.12 -0.04 1.64 1.34 2rc5A1 LEU 95 HD13 -0.07 0.00 -0.07 -0.04 0.93 0.75 2rc5A1 LEU 95 HD23 -0.05 0.01 -0.27 -0.04 0.89 0.53 2rc5A1 TYR 96 H -0.13 0.79 0.29 -0.55 8.29 8.68 2rc5A1 TYR 96 HA -0.24 0.03 0.72 -0.75 4.56 4.32 2rc5A1 TYR 96 HB2 -0.72 0.04 0.03 -0.04 3.06 2.37 2rc5A1 TYR 96 HB3 -0.17 -0.01 0.01 -0.04 2.98 2.78 2rc5A1 TYR 96 HD2 -0.29 0.03 -0.09 -0.04 7.15 6.76 2rc5A1 TYR 96 HE2 -0.13 -0.03 -0.08 -0.04 6.85 6.57 2rc5A1 SER 97 H -0.06 0.06 0.10 -0.55 8.46 8.01 2rc5A1 SER 97 HA -0.04 0.10 0.36 -0.75 4.49 4.16 2rc5A1 SER 97 HB2 -0.03 -0.07 0.07 -0.04 3.95 3.87 2rc5A1 SER 97 HB3 -0.14 0.12 0.04 -0.04 3.93 3.91 2rc5A1 ILE 98 H -0.01 0.67 0.40 -0.55 8.25 8.76 2rc5A1 ILE 98 HA -0.25 0.17 0.85 -0.75 4.18 4.20 2rc5A1 ILE 98 HB -0.13 0.04 0.19 -0.04 1.89 1.94 2rc5A1 ILE 98 HG12 -0.35 -0.03 -0.00 -0.04 1.49 1.06 2rc5A1 ILE 98 HG13 0.10 -0.09 -0.03 -0.04 1.21 1.15 2rc5A1 ILE 98 HG23 -0.65 0.00 -0.01 -0.04 0.93 0.23 2rc5A1 ILE 98 HD13 -0.13 0.02 -0.24 -0.04 0.88 0.49 2rc5A1 ALA 99 H -0.30 0.65 0.27 -0.55 8.40 8.47 2rc5A1 ALA 99 HA -0.10 0.31 0.51 -0.75 4.34 4.30 2rc5A1 ALA 99 HB3 -0.05 -0.06 -0.16 -0.04 1.41 1.10 2rc5A1 SER 100 H -0.22 0.04 0.09 -0.55 8.46 7.84 2rc5A1 SER 100 HA -0.20 0.13 0.54 -0.75 4.49 4.20 2rc5A1 SER 100 HB2 -0.01 0.06 0.01 -0.04 3.95 3.96 2rc5A1 SER 100 HB3 0.00 -0.04 -0.00 -0.04 3.93 3.85 2rc5A1 PRO 101 HA -0.14 0.10 0.40 -0.51 4.44 4.28 2rc5A1 PRO 101 HB2 -0.13 0.00 -0.10 -0.04 2.28 2.02 2rc5A1 PRO 101 HB3 -0.47 0.16 0.08 -0.04 2.02 1.75 2rc5A1 PRO 101 HG2 -0.19 -0.11 -0.59 -0.04 2.03 1.10 2rc5A1 PRO 101 HG3 -0.73 0.07 -0.18 -0.04 2.03 1.15 2rc5A1 PRO 101 HD2 -0.85 -0.04 0.13 -0.04 3.68 2.88 2rc5A1 PRO 101 HD3 -1.06 0.20 0.11 -0.04 3.65 2.86 2rc5A1 SER 102 H -0.07 0.11 0.11 -0.55 8.46 8.07 2rc5A1 SER 102 HA -0.43 0.14 0.19 -0.75 4.49 3.63 2rc5A1 SER 102 HB2 -0.35 -0.10 0.07 -0.04 3.95 3.53 2rc5A1 SER 102 HB3 -0.57 0.45 0.07 -0.04 3.93 3.84 2rc5A1 TYR 103 H 0.14 -0.02 -0.35 -0.55 8.29 7.50 2rc5A1 TYR 103 HA -0.02 0.23 0.50 -0.75 4.56 4.52 2rc5A1 TYR 103 HB2 -0.05 -0.02 0.03 -0.04 3.06 2.98 2rc5A1 TYR 103 HB3 -0.11 0.03 0.09 -0.04 2.98 2.95 2rc5A1 TYR 103 HD2 -0.01 -0.02 -0.03 -0.04 7.15 7.05 2rc5A1 TYR 103 HE2 -0.02 -0.01 -0.05 -0.04 6.85 6.72 2rc5A1 SER 104 H 0.10 0.72 -0.50 -0.55 8.46 8.24 2rc5A1 SER 104 HA 0.09 0.03 0.27 -0.75 4.49 4.13 2rc5A1 SER 104 HB2 -0.01 -0.05 0.45 -0.04 3.95 4.30 2rc5A1 SER 104 HB3 0.10 -0.02 0.16 -0.04 3.93 4.14 2rc5A1 PHE 105 H 0.15 0.09 0.09 -0.55 8.34 8.12 2rc5A1 PHE 105 HA 0.15 0.07 0.57 -0.75 4.62 4.65 2rc5A1 PHE 105 HB2 -0.00 -0.01 0.08 -0.04 3.15 3.18 2rc5A1 PHE 105 HB3 0.02 0.07 -0.00 -0.04 3.06 3.10 2rc5A1 PHE 105 HD2 -0.02 0.00 0.02 -0.04 7.28 7.24 2rc5A1 PHE 105 HE2 -0.18 0.01 -0.07 -0.04 7.38 7.10 2rc5A1 PHE 105 HZ -0.43 0.03 -0.12 -0.04 7.32 6.76 2rc5A1 GLY 106 H 0.28 0.15 0.11 -0.55 8.43 8.42 2rc5A1 GLY 106 HA2 0.07 0.06 0.28 -0.51 4.01 3.91 2rc5A1 GLY 106 HA3 0.07 0.08 0.47 -0.51 4.01 4.12 2rc5A1 MET 107 H 0.01 0.22 -0.43 -0.55 8.47 7.72 2rc5A1 MET 107 HA -0.05 0.11 0.04 -0.75 4.52 3.86 2rc5A1 MET 107 HB2 -0.25 0.08 -0.11 -0.04 2.15 1.83 2rc5A1 MET 107 HB3 -0.23 0.00 0.20 -0.04 2.03 1.96 2rc5A1 MET 107 HG2 -0.38 -0.09 -0.00 -0.04 2.63 2.12 2rc5A1 MET 107 HG3 -1.43 -0.09 -0.07 -0.04 2.56 0.93 2rc5A1 MET 107 HE3 -0.26 0.02 -0.08 -0.04 2.10 1.74 2rc5A1 LYS 108 H -0.00 0.16 -0.36 -0.55 8.42 7.66 2rc5A1 LYS 108 HA -0.05 0.14 0.27 -0.75 4.32 3.93 2rc5A1 LYS 108 HB2 0.01 -0.01 0.04 -0.04 1.87 1.87 2rc5A1 LYS 108 HB3 -0.02 -0.06 -0.00 -0.04 1.79 1.67 2rc5A1 LYS 108 HG2 -0.00 -0.01 -0.02 -0.04 1.46 1.38 2rc5A1 LYS 108 HG3 0.01 0.09 -0.13 -0.04 1.46 1.39 2rc5A1 LYS 108 HD2 0.05 0.12 -0.03 -0.04 1.69 1.79 2rc5A1 LYS 108 HD3 0.02 -0.06 -0.04 -0.04 1.68 1.57 2rc5A1 LYS 108 HE2 0.03 0.01 -0.02 -0.04 2.99 2.97 2rc5A1 LYS 108 HE3 0.03 -0.07 -0.08 -0.04 2.99 2.83 2rc5A1 GLU 109 H -0.15 0.68 -0.03 -0.55 8.60 8.55 2rc5A1 GLU 109 HA -1.16 0.05 0.21 -0.75 4.29 2.64 2rc5A1 GLU 109 HB2 -0.14 0.12 -0.13 -0.04 2.09 1.90 2rc5A1 GLU 109 HB3 -0.29 -0.13 0.25 -0.04 1.99 1.78 2rc5A1 GLU 109 HG2 -0.07 0.01 0.04 -0.04 2.34 2.28 2rc5A1 GLU 109 HG3 0.02 0.10 -0.04 -0.04 2.34 2.38 2rc5A1 ASP 110 H -0.12 -0.06 -0.08 -0.55 8.40 7.59 2rc5A1 ASP 110 HA 0.03 0.28 0.98 -0.75 4.63 5.15 2rc5A1 ASP 110 HB2 0.03 -0.05 0.05 -0.04 2.71 2.69 2rc5A1 ASP 110 HB3 -0.01 0.13 -0.09 -0.04 2.70 2.69 2rc5A1 ASN 111 H 0.18 0.05 0.12 -0.55 8.53 8.33 2rc5A1 ASN 111 HA 0.12 0.13 1.19 -0.75 4.76 5.44 2rc5A1 ASN 111 HB2 0.04 0.13 0.06 -0.04 2.88 3.06 2rc5A1 ASN 111 HB3 0.06 -0.01 -0.34 -0.04 2.79 2.46 2rc5A1 ASN 111 HD21 0.11 -0.06 -0.07 -0.04 7.03 6.96 2rc5A1 ASN 111 HD22 0.05 0.05 -0.12 -0.04 7.74 7.68 2rc5A1 ILE 112 H -0.03 0.71 0.35 -0.55 8.25 8.73 2rc5A1 ILE 112 HA -0.18 0.13 0.63 -0.75 4.18 4.01 2rc5A1 ILE 112 HB -0.25 0.10 -0.10 -0.04 1.89 1.61 2rc5A1 ILE 112 HG12 -1.13 -0.01 -0.04 -0.04 1.49 0.28 2rc5A1 ILE 112 HG13 -1.12 0.01 0.11 -0.04 1.21 0.17 2rc5A1 ILE 112 HG23 -0.21 0.00 -0.14 -0.04 0.93 0.54 2rc5A1 ILE 112 HD13 -0.44 0.02 -0.07 -0.04 0.88 0.35 2rc5A1 GLU 113 H -0.49 0.11 0.22 -0.55 8.60 7.90 2rc5A1 GLU 113 HA -0.27 0.56 1.31 -0.75 4.29 5.13 2rc5A1 GLU 113 HB2 -0.10 -0.14 -0.01 -0.04 2.09 1.79 2rc5A1 GLU 113 HB3 -0.08 0.03 -0.04 -0.04 1.99 1.86 2rc5A1 GLU 113 HG2 -0.04 0.10 -0.08 -0.04 2.34 2.28 2rc5A1 GLU 113 HG3 -0.02 -0.08 -0.43 -0.04 2.34 1.78 2rc5A1 PHE 114 H -0.06 0.63 0.38 -0.55 8.34 8.74 2rc5A1 PHE 114 HA -0.07 0.16 0.77 -0.75 4.62 4.72 2rc5A1 PHE 114 HB2 -0.15 -0.01 0.01 -0.04 3.15 2.96 2rc5A1 PHE 114 HB3 -0.14 -0.01 -0.05 -0.04 3.06 2.82 2rc5A1 PHE 114 HD2 -0.09 0.13 -0.15 -0.04 7.28 7.13 2rc5A1 PHE 114 HE2 -0.11 0.01 -0.14 -0.04 7.38 7.10 2rc5A1 PHE 114 HZ -0.15 0.01 -0.10 -0.04 7.32 7.03 2rc5A1 ILE 115 H 0.12 0.25 0.12 -0.55 8.25 8.20 2rc5A1 ILE 115 HA 0.06 0.35 0.97 -0.75 4.18 4.82 2rc5A1 ILE 115 HB 0.07 0.01 0.24 -0.04 1.89 2.17 2rc5A1 ILE 115 HG12 0.02 -0.06 -0.15 -0.04 1.49 1.25 2rc5A1 ILE 115 HG13 0.03 0.00 -0.09 -0.04 1.21 1.11 2rc5A1 ILE 115 HG23 0.09 -0.02 -0.17 -0.04 0.93 0.79 2rc5A1 ILE 115 HD13 0.03 0.03 -0.12 -0.04 0.88 0.78 2rc5A1 ILE 116 H 0.05 0.69 0.21 -0.55 8.25 8.65 2rc5A1 ILE 116 HA 0.04 0.12 0.94 -0.75 4.18 4.53 2rc5A1 ILE 116 HB -0.14 0.04 0.03 -0.04 1.89 1.78 2rc5A1 ILE 116 HG12 -0.60 0.02 -0.17 -0.04 1.49 0.70 2rc5A1 ILE 116 HG13 -0.18 -0.11 -0.44 -0.04 1.21 0.43 2rc5A1 ILE 116 HG23 -0.19 0.00 -0.18 -0.04 0.93 0.52 2rc5A1 ILE 116 HD13 -0.84 0.02 -0.14 -0.04 0.88 -0.12 2rc5A1 LYS 117 H 0.12 0.11 0.16 -0.55 8.42 8.26 2rc5A1 LYS 117 HA 0.12 0.18 0.79 -0.75 4.32 4.65 2rc5A1 LYS 117 HB2 0.13 -0.08 0.06 -0.04 1.87 1.95 2rc5A1 LYS 117 HB3 0.14 -0.06 0.08 -0.04 1.79 1.91 2rc5A1 LYS 117 HG2 0.13 0.13 -0.29 -0.04 1.46 1.39 2rc5A1 LYS 117 HG3 0.12 0.02 -0.04 -0.04 1.46 1.53 2rc5A1 LYS 117 HD2 0.12 -0.03 -0.03 -0.04 1.69 1.71 2rc5A1 LYS 117 HD3 0.13 -0.12 0.02 -0.04 1.68 1.67 2rc5A1 LYS 117 HE2 0.13 0.17 0.11 -0.04 2.99 3.36 2rc5A1 LYS 117 HE3 0.11 -0.03 0.07 -0.04 2.99 3.10 2rc5A1 ARG 118 H 0.11 0.83 0.31 -0.55 8.46 9.15 2rc5A1 ARG 118 HA 0.04 -0.03 0.52 -0.75 4.34 4.12 2rc5A1 ARG 118 HB2 0.11 0.08 0.26 -0.04 1.90 2.30 2rc5A1 ARG 118 HB3 0.12 -0.07 -0.03 -0.04 1.80 1.78 2rc5A1 ARG 118 HG2 0.04 -0.03 -0.03 -0.04 1.67 1.61 2rc5A1 ARG 118 HG3 -0.00 0.01 -0.04 -0.04 1.67 1.59 2rc5A1 ARG 118 HD2 0.11 0.08 0.05 -0.04 3.22 3.42 2rc5A1 ARG 118 HD3 0.08 -0.04 0.00 -0.04 3.22 3.23 2rc5A1 ASP 119 H 0.06 0.08 0.11 -0.55 8.40 8.10 2rc5A1 ASP 119 HA 0.11 0.20 0.84 -0.75 4.63 5.03 2rc5A1 ASP 119 HB2 0.09 0.08 0.10 -0.04 2.71 2.94 2rc5A1 ASP 119 HB3 0.05 -0.14 0.26 -0.04 2.70 2.84 2rc5A1 ASN 120 H 0.13 0.36 0.17 -0.55 8.53 8.63 2rc5A1 ASN 120 HA -0.05 0.23 1.00 -0.75 4.76 5.19 2rc5A1 ASN 120 HB2 -0.55 0.03 -0.05 -0.04 2.88 2.27 2rc5A1 ASN 120 HB3 -0.45 -0.03 0.16 -0.04 2.79 2.43 2rc5A1 ASN 120 HD21 0.07 0.03 -0.12 -0.04 7.03 6.96 2rc5A1 ASN 120 HD22 0.20 0.04 -0.10 -0.04 7.74 7.84 2rc5A1 ILE 121 H -0.21 0.22 0.32 -0.55 8.25 8.03 2rc5A1 ILE 121 HA 0.09 0.24 0.78 -0.75 4.18 4.53 2rc5A1 ILE 121 HB 0.15 -0.21 0.25 -0.04 1.89 2.05 2rc5A1 ILE 121 HG12 0.18 -0.01 -0.09 -0.04 1.49 1.52 2rc5A1 ILE 121 HG13 0.32 0.04 -0.01 -0.04 1.21 1.53 2rc5A1 ILE 121 HG23 0.17 0.02 -0.08 -0.04 0.93 1.00 2rc5A1 ILE 121 HD13 0.10 0.04 -0.07 -0.04 0.88 0.91 2rc5A1 TYR 122 H -0.38 -0.26 0.13 -0.55 8.29 7.23 2rc5A1 TYR 122 HA -0.02 0.34 -0.04 -0.75 4.56 4.09 2rc5A1 TYR 122 HB2 0.03 0.16 0.15 -0.04 3.06 3.36 2rc5A1 TYR 122 HB3 0.01 -0.03 -0.19 -0.04 2.98 2.73 2rc5A1 TYR 122 HD2 0.02 0.19 -0.49 -0.04 7.15 6.84 2rc5A1 TYR 122 HE2 0.03 0.10 -0.05 -0.04 6.85 6.88 2rc5A1 ASN 125 HA 0.02 -0.00 0.30 -0.75 4.76 4.32 2rc5A1 ASN 125 HB2 0.02 -0.01 -0.00 -0.04 2.88 2.84 2rc5A1 ASN 125 HB3 0.02 0.02 0.30 -0.04 2.79 3.08 2rc5A1 ASN 125 HD21 0.01 0.39 0.24 -0.04 7.03 7.63 2rc5A1 ASN 125 HD22 0.00 -0.06 0.15 -0.04 7.74 7.80 2rc5A1 GLY 126 H 0.07 0.14 -0.62 -0.55 8.43 7.47 2rc5A1 GLY 126 HA2 0.00 -0.16 0.27 -0.51 4.01 3.61 2rc5A1 GLY 126 HA3 -0.01 0.56 0.90 -0.51 4.01 4.95 2rc5A1 ASN 127 H 0.07 0.08 -0.46 -0.55 8.53 7.67 2rc5A1 ASN 127 HA 0.15 0.16 0.74 -0.75 4.76 5.06 2rc5A1 ASN 127 HB2 0.03 0.01 -0.04 -0.04 2.88 2.84 2rc5A1 ASN 127 HB3 0.04 0.05 -0.07 -0.04 2.79 2.77 2rc5A1 ASN 127 HD21 -0.00 0.00 -0.05 -0.04 7.03 6.94 2rc5A1 ASN 127 HD22 0.01 0.01 -0.17 -0.04 7.74 7.55 2rc5A1 ILE 128 H 0.08 0.14 0.08 -0.55 8.25 8.01 2rc5A1 ILE 128 HA -0.32 -0.19 0.24 -0.75 4.18 3.16 2rc5A1 ILE 128 HB -0.04 0.05 0.07 -0.04 1.89 1.93 2rc5A1 ILE 128 HG12 -0.16 0.00 -0.40 -0.04 1.49 0.89 2rc5A1 ILE 128 HG13 -0.39 -0.15 -0.04 -0.04 1.21 0.58 2rc5A1 ILE 128 HG23 -0.04 0.03 -0.05 -0.04 0.93 0.83 2rc5A1 ILE 128 HD13 -0.07 0.01 -0.11 -0.04 0.88 0.67 2rc5A1 GLN 129 H -0.30 -0.35 0.26 -0.55 8.47 7.53 2rc5A1 GLN 129 HA -0.33 0.26 0.85 -0.75 4.36 4.39 2rc5A1 GLN 129 HB2 -0.24 0.11 0.13 -0.04 2.15 2.11 2rc5A1 GLN 129 HB3 -0.56 -0.15 0.16 -0.04 2.02 1.43 2rc5A1 GLN 129 HG2 -1.07 -0.03 -0.02 -0.04 2.40 1.25 2rc5A1 GLN 129 HG3 -0.36 0.08 0.08 -0.04 2.39 2.14 2rc5A1 GLN 129 HE21 -0.03 -0.01 -0.00 -0.04 6.97 6.89 2rc5A1 GLN 129 HE22 -0.11 0.02 0.02 -0.04 7.69 7.58 2rc5A1 PHE 130 H -0.19 -0.14 0.29 -0.55 8.34 7.75 2rc5A1 PHE 130 HA -0.05 0.27 0.88 -0.75 4.62 4.97 2rc5A1 PHE 130 HB2 -0.05 -0.09 0.06 -0.04 3.15 3.04 2rc5A1 PHE 130 HB3 -0.03 0.09 0.02 -0.04 3.06 3.10 2rc5A1 PHE 130 HD2 -0.02 -0.01 0.02 -0.04 7.28 7.23 2rc5A1 PHE 130 HE2 -0.00 0.03 -0.02 -0.04 7.38 7.34 2rc5A1 PHE 130 HZ -0.00 0.03 -0.02 -0.04 7.32 7.29 2rc5A1 LYS 131 H 0.09 0.27 0.13 -0.55 8.42 8.36 2rc5A1 LYS 131 HA -0.03 0.05 0.79 -0.75 4.32 4.38 2rc5A1 LYS 131 HB2 -0.00 -0.01 0.01 -0.04 1.87 1.83 2rc5A1 LYS 131 HB3 0.02 0.04 0.03 -0.04 1.79 1.83 2rc5A1 LYS 131 HG2 -0.00 0.11 -0.07 -0.04 1.46 1.45 2rc5A1 LYS 131 HG3 -0.02 -0.06 0.00 -0.04 1.46 1.34 2rc5A1 LYS 131 HD2 -0.01 -0.02 -0.06 -0.04 1.69 1.57 2rc5A1 LYS 131 HD3 0.00 0.04 -0.05 -0.04 1.68 1.63 2rc5A1 LYS 131 HE2 0.00 0.03 -0.05 -0.04 2.99 2.93 2rc5A1 LYS 131 HE3 -0.00 -0.05 -0.05 -0.04 2.99 2.85 2rc5A1 GLY 132 H 0.01 0.34 0.27 -0.55 8.43 8.50 2rc5A1 GLY 132 HA2 0.01 0.01 0.66 -0.51 4.01 4.18 2rc5A1 GLY 132 HA3 0.01 0.05 0.47 -0.51 4.01 4.03 2rc5A1 VAL 133 H -0.05 0.13 0.22 -0.55 8.24 8.00 2rc5A1 VAL 133 HA -0.11 0.16 0.37 -0.75 4.13 3.80 2rc5A1 VAL 133 HB -0.30 -0.09 0.24 -0.04 2.12 1.93 2rc5A1 VAL 133 HG13 -1.10 0.03 -0.10 -0.04 0.97 -0.23 2rc5A1 VAL 133 HG23 -0.06 0.02 0.10 -0.04 0.95 0.97 2rc5A1 CYS 134 H -0.09 0.10 0.10 -0.55 8.50 8.07 2rc5A1 CYS 134 HA 0.02 0.16 0.30 -0.75 4.58 4.30 2rc5A1 CYS 134 HB2 -0.04 0.08 0.13 -0.04 2.97 3.09 2rc5A1 CYS 134 HB3 0.11 -0.04 0.07 -0.04 2.97 3.07 2rc5A1 SER 135 H 0.06 0.03 -0.11 -0.55 8.46 7.90 2rc5A1 SER 135 HA -0.07 0.11 0.42 -0.75 4.49 4.20 2rc5A1 SER 135 HB2 0.03 0.38 0.12 -0.04 3.95 4.44 2rc5A1 SER 135 HB3 0.12 0.01 0.15 -0.04 3.93 4.17 2rc5A1 ASN 136 H -0.01 0.24 -0.32 -0.55 8.53 7.89 2rc5A1 ASN 136 HA -0.07 0.04 0.48 -0.75 4.76 4.45 2rc5A1 ASN 136 HB2 -0.01 0.32 0.14 -0.04 2.88 3.29 2rc5A1 ASN 136 HB3 -0.02 0.02 -0.05 -0.04 2.79 2.70 2rc5A1 ASN 136 HD21 0.01 -0.16 -0.03 -0.04 7.03 6.81 2rc5A1 ASN 136 HD22 -0.00 0.80 0.21 -0.04 7.74 8.71 2rc5A1 TYR 137 H 0.06 0.58 -0.02 -0.55 8.29 8.36 2rc5A1 TYR 137 HA -0.09 0.05 0.45 -0.75 4.56 4.21 2rc5A1 TYR 137 HB2 -0.11 0.01 0.10 -0.04 3.06 3.01 2rc5A1 TYR 137 HB3 -0.13 -0.01 0.17 -0.04 2.98 2.98 2rc5A1 TYR 137 HD2 -0.09 -0.00 -0.02 -0.04 7.15 7.00 2rc5A1 TYR 137 HE2 -0.07 -0.01 -0.05 -0.04 6.85 6.68 2rc5A1 MET 138 H -0.14 0.54 -0.30 -0.55 8.47 8.03 2rc5A1 MET 138 HA -0.57 0.04 0.32 -0.75 4.52 3.56 2rc5A1 MET 138 HB2 -0.30 0.07 0.12 -0.04 2.15 2.01 2rc5A1 MET 138 HB3 -0.35 -0.07 -0.08 -0.04 2.03 1.49 2rc5A1 MET 138 HG2 -0.07 0.17 0.00 -0.04 2.63 2.69 2rc5A1 MET 138 HG3 -0.52 -0.09 -0.11 -0.04 2.56 1.79 2rc5A1 MET 138 HE3 -0.31 -0.01 -0.13 -0.04 2.10 1.61 2rc5A1 CYS 139 H -0.26 0.50 -0.13 -0.55 8.50 8.06 2rc5A1 CYS 139 HA -0.57 0.03 0.45 -0.75 4.58 3.74 2rc5A1 CYS 139 HB2 -0.28 0.02 0.09 -0.04 2.97 2.75 2rc5A1 CYS 139 HB3 -0.89 -0.06 0.03 -0.04 2.97 2.01 2rc5A1 ASP 140 H -0.26 0.28 -0.65 -0.55 8.40 7.22 2rc5A1 ASP 140 HA -0.13 0.08 0.66 -0.75 4.63 4.49 2rc5A1 ASP 140 HB2 -0.11 0.09 0.11 -0.04 2.71 2.75 2rc5A1 ASP 140 HB3 -0.07 -0.09 0.08 -0.04 2.70 2.58 2rc5A1 LEU 141 H -0.27 0.23 -0.44 -0.55 8.37 7.35 2rc5A1 LEU 141 HA -0.19 -0.04 0.35 -0.75 4.35 3.71 2rc5A1 LEU 141 HB2 -0.19 0.09 0.04 -0.04 1.64 1.54 2rc5A1 LEU 141 HB3 -0.15 -0.05 -0.14 -0.04 1.64 1.27 2rc5A1 LEU 141 HG -0.58 0.13 0.11 -0.04 1.64 1.26 2rc5A1 LEU 141 HD13 -0.23 -0.02 -0.07 -0.04 0.93 0.58 2rc5A1 LEU 141 HD23 -0.40 -0.03 -0.11 -0.04 0.89 0.30 2rc5A1 LYS 142 H -0.07 0.08 0.18 -0.55 8.42 8.06 2rc5A1 LYS 142 HA -0.03 0.19 0.78 -0.75 4.32 4.50 2rc5A1 LYS 142 HB2 -0.03 -0.06 0.06 -0.04 1.87 1.80 2rc5A1 LYS 142 HB3 -0.02 0.05 0.07 -0.04 1.79 1.85 2rc5A1 LYS 142 HG2 -0.02 0.02 -0.01 -0.04 1.46 1.40 2rc5A1 LYS 142 HG3 -0.04 0.12 -0.04 -0.04 1.46 1.47 2rc5A1 LYS 142 HD2 -0.01 -0.00 0.01 -0.04 1.69 1.65 2rc5A1 LYS 142 HD3 -0.01 -0.03 0.01 -0.04 1.68 1.61 2rc5A1 LYS 142 HE2 -0.02 0.06 0.02 -0.04 2.99 3.01 2rc5A1 LYS 142 HE3 -0.01 -0.03 0.02 -0.04 2.99 2.92 2rc5A1 PRO 143 HA -0.02 0.03 0.25 -0.51 4.44 4.19 2rc5A1 PRO 143 HB2 -0.01 -0.03 0.06 -0.04 2.28 2.26 2rc5A1 PRO 143 HB3 -0.01 0.15 0.08 -0.04 2.02 2.20 2rc5A1 PRO 143 HG2 -0.01 0.00 0.10 -0.04 2.03 2.08 2rc5A1 PRO 143 HG3 -0.01 0.06 0.08 -0.04 2.03 2.11 2rc5A1 PRO 143 HD2 -0.01 0.08 0.20 -0.04 3.68 3.91 2rc5A1 PRO 143 HD3 -0.02 0.17 0.15 -0.04 3.65 3.92 2rc5A1 GLY 144 H -0.02 0.70 0.34 -0.55 8.43 8.91 2rc5A1 GLY 144 HA2 -0.01 -0.01 0.40 -0.51 4.01 3.88 2rc5A1 GLY 144 HA3 -0.01 0.08 0.55 -0.51 4.01 4.11 2rc5A1 ASP 145 H -0.03 0.45 -0.17 -0.55 8.40 8.11 2rc5A1 ASP 145 HA -0.01 0.07 0.59 -0.75 4.63 4.53 2rc5A1 ASP 145 HB2 -0.05 0.03 0.09 -0.04 2.71 2.74 2rc5A1 ASP 145 HB3 -0.02 0.02 -0.01 -0.04 2.70 2.66 2rc5A1 GLU 146 H 0.01 0.15 0.18 -0.55 8.60 8.39 2rc5A1 GLU 146 HA -0.02 0.33 0.90 -0.75 4.29 4.75 2rc5A1 GLU 146 HB2 -0.02 0.02 0.01 -0.04 2.09 2.05 2rc5A1 GLU 146 HB3 -0.00 -0.05 0.07 -0.04 1.99 1.97 2rc5A1 GLU 146 HG2 -0.05 -0.00 -0.22 -0.04 2.34 2.03 2rc5A1 GLU 146 HG3 -0.06 0.04 -0.21 -0.04 2.34 2.06 2rc5A1 VAL 147 H -0.01 0.85 0.34 -0.55 8.24 8.87 2rc5A1 VAL 147 HA 0.13 0.12 0.86 -0.75 4.13 4.48 2rc5A1 VAL 147 HB 0.01 -0.02 0.03 -0.04 2.12 2.10 2rc5A1 VAL 147 HG13 0.05 0.00 -0.24 -0.04 0.97 0.74 2rc5A1 VAL 147 HG23 -0.03 0.01 -0.20 -0.04 0.95 0.69 2rc5A1 THR 148 H 0.04 0.20 0.13 -0.55 8.28 8.11 2rc5A1 THR 148 HA -0.02 0.16 0.68 -0.75 4.39 4.46 2rc5A1 THR 148 HB -0.01 0.15 0.22 -0.04 4.32 4.64 2rc5A1 THR 148 HG23 0.01 -0.01 -0.11 -0.04 1.22 1.07 2rc5A1 MET 149 H 0.00 0.81 0.38 -0.55 8.47 9.11 2rc5A1 MET 149 HA 0.02 0.29 1.05 -0.75 4.52 5.13 2rc5A1 MET 149 HB2 0.01 0.07 0.05 -0.04 2.15 2.24 2rc5A1 MET 149 HB3 -0.08 0.01 -0.02 -0.04 2.03 1.90 2rc5A1 MET 149 HG2 -0.03 0.01 -0.17 -0.04 2.63 2.39 2rc5A1 MET 149 HG3 -0.01 0.04 -0.28 -0.04 2.56 2.27 2rc5A1 MET 149 HE3 -0.28 0.01 -0.09 -0.04 2.10 1.70 2rc5A1 THR 150 H 0.10 0.68 0.32 -0.55 8.28 8.83 2rc5A1 THR 150 HA 0.24 0.17 0.50 -0.75 4.39 4.54 2rc5A1 THR 150 HB 0.07 -0.06 -0.26 -0.04 4.32 4.03 2rc5A1 THR 150 HG23 0.07 -0.03 -0.15 -0.04 1.22 1.08 2rc5A1 GLY 151 H 0.20 0.83 0.31 -0.55 8.43 9.22 2rc5A1 GLY 151 HA2 0.07 0.04 0.29 -0.51 4.01 3.90 2rc5A1 GLY 151 HA3 0.14 0.06 0.61 -0.51 4.01 4.31 2rc5A1 PRO 152 HA 0.04 0.19 0.52 -0.51 4.44 4.68 2rc5A1 PRO 152 HB2 -0.09 0.39 0.09 -0.04 2.28 2.63 2rc5A1 PRO 152 HB3 -0.05 -0.02 0.14 -0.04 2.02 2.05 2rc5A1 PRO 152 HG2 -0.29 0.16 -0.12 -0.04 2.03 1.74 2rc5A1 PRO 152 HG3 -0.80 -0.01 -0.05 -0.04 2.03 1.12 2rc5A1 PRO 152 HD2 -0.23 0.05 0.09 -0.04 3.68 3.54 2rc5A1 PRO 152 HD3 -0.67 0.18 0.12 -0.04 3.65 3.24 2rc5A1 SER 153 H 0.03 0.50 0.37 -0.55 8.46 8.81 2rc5A1 SER 153 HA 0.01 0.08 1.00 -0.75 4.49 4.82 2rc5A1 SER 153 HB2 0.03 -0.02 -0.18 -0.04 3.95 3.73 2rc5A1 SER 153 HB3 0.01 -0.02 0.03 -0.04 3.93 3.92 2rc5A1 GLY 154 H 0.02 0.10 0.09 -0.55 8.43 8.10 2rc5A1 GLY 154 HA2 0.05 -0.05 0.41 -0.51 4.01 3.91 2rc5A1 GLY 154 HA3 0.05 0.12 0.56 -0.51 4.01 4.24 2rc5A1 LYS 155 H 0.08 0.03 0.11 -0.55 8.42 8.09 2rc5A1 LYS 155 HA 0.07 0.24 0.54 -0.75 4.32 4.41 2rc5A1 LYS 155 HB2 0.04 0.08 0.10 -0.04 1.87 2.06 2rc5A1 LYS 155 HB3 0.03 0.11 -0.26 -0.04 1.79 1.63 2rc5A1 LYS 155 HG2 0.04 -0.19 -0.10 -0.04 1.46 1.18 2rc5A1 LYS 155 HG3 0.05 0.04 -0.10 -0.04 1.46 1.40 2rc5A1 LYS 155 HD2 0.02 0.10 -0.07 -0.04 1.69 1.70 2rc5A1 LYS 155 HD3 0.02 -0.01 -0.16 -0.04 1.68 1.48 2rc5A1 LYS 155 HE2 0.01 -0.00 -0.05 -0.04 2.99 2.91 2rc5A1 LYS 155 HE3 0.03 -0.07 -0.05 -0.04 2.99 2.86 2rc5A1 LYS 156 H 0.16 -0.08 0.05 -0.55 8.42 7.99 2rc5A1 LYS 156 HA 0.20 0.30 0.90 -0.75 4.32 4.96 2rc5A1 LYS 156 HB2 0.20 -0.12 0.20 -0.04 1.87 2.11 2rc5A1 LYS 156 HB3 0.23 0.06 0.06 -0.04 1.79 2.11 2rc5A1 LYS 156 HG2 0.10 -0.11 -0.08 -0.04 1.46 1.32 2rc5A1 LYS 156 HG3 0.09 -0.01 0.04 -0.04 1.46 1.54 2rc5A1 LYS 156 HD2 0.10 0.04 0.06 -0.04 1.69 1.85 2rc5A1 LYS 156 HD3 0.12 0.14 0.03 -0.04 1.68 1.93 2rc5A1 LYS 156 HE2 0.06 0.06 0.00 -0.04 2.99 3.07 2rc5A1 LYS 156 HE3 0.05 -0.06 -0.02 -0.04 2.99 2.92 2rc5A1 PHE 157 H 0.36 -0.04 0.05 -0.55 8.34 8.16 2rc5A1 PHE 157 HA 0.30 0.06 0.31 -0.75 4.62 4.53 2rc5A1 PHE 157 HB2 0.16 -0.09 0.11 -0.04 3.15 3.29 2rc5A1 PHE 157 HB3 0.11 0.30 0.24 -0.04 3.06 3.66 2rc5A1 PHE 157 HD2 0.16 -0.02 -0.19 -0.04 7.28 7.18 2rc5A1 PHE 157 HE2 0.12 0.00 -0.22 -0.04 7.38 7.24 2rc5A1 PHE 157 HZ 0.47 -0.04 -0.32 -0.04 7.32 7.38 2rc5A1 LEU 158 H -0.12 0.60 0.29 -0.55 8.37 8.59 2rc5A1 LEU 158 HA 0.01 0.21 0.95 -0.75 4.35 4.77 2rc5A1 LEU 158 HB2 -0.02 0.07 -0.13 -0.04 1.64 1.52 2rc5A1 LEU 158 HB3 -0.03 0.04 -0.02 -0.04 1.64 1.58 2rc5A1 LEU 158 HG 0.09 -0.25 -0.87 -0.04 1.64 0.57 2rc5A1 LEU 158 HD13 0.03 0.02 -0.13 -0.04 0.93 0.81 2rc5A1 LEU 158 HD23 0.04 0.03 -0.25 -0.04 0.89 0.67 2rc5A1 LEU 159 H -0.11 0.12 0.07 -0.55 8.37 7.91 2rc5A1 LEU 159 HA -0.22 0.09 0.52 -0.75 4.35 3.99 2rc5A1 LEU 159 HB2 -0.12 -0.05 0.05 -0.04 1.64 1.48 2rc5A1 LEU 159 HB3 -0.16 0.15 0.01 -0.04 1.64 1.60 2rc5A1 LEU 159 HG -0.20 -0.05 -0.05 -0.04 1.64 1.29 2rc5A1 LEU 159 HD13 -0.13 -0.02 0.02 -0.04 0.93 0.75 2rc5A1 LEU 159 HD23 -0.28 0.00 -0.08 -0.04 0.89 0.49 2rc5A1 PRO 160 HA -0.15 0.05 0.54 -0.51 4.44 4.37 2rc5A1 PRO 160 HB2 -0.10 0.11 -0.02 -0.04 2.28 2.22 2rc5A1 PRO 160 HB3 -0.17 0.04 0.10 -0.04 2.02 1.95 2rc5A1 PRO 160 HG2 -1.15 0.01 0.03 -0.04 2.03 0.89 2rc5A1 PRO 160 HG3 -0.98 0.11 0.06 -0.04 2.03 1.18 2rc5A1 PRO 160 HD2 -0.31 0.04 0.13 -0.04 3.68 3.50 2rc5A1 PRO 160 HD3 -0.33 0.11 0.14 -0.04 3.65 3.53 2rc5A1 ASN 161 H -0.04 0.10 0.17 -0.55 8.53 8.21 2rc5A1 ASN 161 HA -0.01 0.17 0.73 -0.75 4.76 4.90 2rc5A1 ASN 161 HB2 0.00 -0.03 0.12 -0.04 2.88 2.93 2rc5A1 ASN 161 HB3 -0.02 0.04 0.03 -0.04 2.79 2.80 2rc5A1 ASN 161 HD21 -0.00 -0.00 0.00 -0.04 7.03 6.99 2rc5A1 ASN 161 HD22 -0.00 -0.03 0.02 -0.04 7.74 7.69 2rc5A1 THR 162 H 0.03 0.09 -0.02 -0.55 8.28 7.84 2rc5A1 THR 162 HA 0.04 0.18 0.80 -0.75 4.39 4.67 2rc5A1 THR 162 HB 0.05 -0.02 0.13 -0.04 4.32 4.44 2rc5A1 THR 162 HG23 0.02 -0.01 -0.09 -0.04 1.22 1.10 2rc5A1 ASP 163 H 0.07 0.08 0.13 -0.55 8.40 8.13 2rc5A1 ASP 163 HA 0.13 0.01 0.46 -0.75 4.63 4.47 2rc5A1 ASP 163 HB2 0.05 -0.02 0.10 -0.04 2.71 2.80 2rc5A1 ASP 163 HB3 0.06 0.10 0.05 -0.04 2.70 2.87 2rc5A1 PHE 164 H 0.24 0.71 0.32 -0.55 8.34 9.06 2rc5A1 PHE 164 HA 0.05 0.10 0.96 -0.75 4.62 4.98 2rc5A1 PHE 164 HB2 0.11 0.14 -0.10 -0.04 3.15 3.27 2rc5A1 PHE 164 HB3 0.33 -0.05 0.13 -0.04 3.06 3.43 2rc5A1 PHE 164 HD2 0.23 0.05 -0.03 -0.04 7.28 7.49 2rc5A1 PHE 164 HE2 0.08 0.04 -0.09 -0.04 7.38 7.38 2rc5A1 PHE 164 HZ 0.06 0.25 0.11 -0.04 7.32 7.70 2rc5A1 SER 165 H -0.43 0.21 0.17 -0.55 8.46 7.86 2rc5A1 SER 165 HA -0.23 0.02 0.71 -0.75 4.49 4.24 2rc5A1 SER 165 HB2 -0.17 0.04 0.07 -0.04 3.95 3.85 2rc5A1 SER 165 HB3 -0.14 -0.03 -0.02 -0.04 3.93 3.71 2rc5A1 GLY 166 H -1.23 -0.01 -0.04 -0.55 8.43 6.60 2rc5A1 GLY 166 HA2 -0.25 0.16 0.42 -0.51 4.01 3.83 2rc5A1 GLY 166 HA3 -0.54 0.18 0.14 -0.51 4.01 3.29 2rc5A1 ASP 167 H -0.04 0.15 0.14 -0.55 8.40 8.10 2rc5A1 ASP 167 HA 0.08 0.04 0.70 -0.75 4.63 4.70 2rc5A1 ASP 167 HB2 -0.05 -0.03 0.01 -0.04 2.71 2.60 2rc5A1 ASP 167 HB3 -0.03 0.07 0.02 -0.04 2.70 2.71 2rc5A1 ILE 168 H 0.07 0.81 0.35 -0.55 8.25 8.94 2rc5A1 ILE 168 HA -0.04 0.25 1.07 -0.75 4.18 4.71 2rc5A1 ILE 168 HB -0.18 -0.02 0.03 -0.04 1.89 1.68 2rc5A1 ILE 168 HG12 0.07 0.02 -0.07 -0.04 1.49 1.47 2rc5A1 ILE 168 HG13 0.42 0.10 -0.48 -0.04 1.21 1.21 2rc5A1 ILE 168 HG23 -0.68 -0.03 -0.24 -0.04 0.93 -0.06 2rc5A1 ILE 168 HD13 -0.41 -0.01 -0.10 -0.04 0.88 0.32 2rc5A1 MET 169 H -0.15 0.85 0.40 -0.55 8.47 9.02 2rc5A1 MET 169 HA -0.19 0.23 1.14 -0.75 4.52 4.94 2rc5A1 MET 169 HB2 -0.01 0.01 -0.00 -0.04 2.15 2.10 2rc5A1 MET 169 HB3 0.20 -0.06 0.19 -0.04 2.03 2.32 2rc5A1 MET 169 HG2 0.15 -0.09 -0.26 -0.04 2.63 2.39 2rc5A1 MET 169 HG3 0.03 0.17 0.06 -0.04 2.56 2.78 2rc5A1 MET 169 HE3 0.09 0.00 -0.14 -0.04 2.10 2.02 2rc5A1 PHE 170 H -0.25 0.59 0.28 -0.55 8.34 8.40 2rc5A1 PHE 170 HA -0.53 0.14 0.93 -0.75 4.62 4.41 2rc5A1 PHE 170 HB2 -0.41 -0.07 0.19 -0.04 3.15 2.82 2rc5A1 PHE 170 HB3 -1.83 -0.02 -0.02 -0.04 3.06 1.14 2rc5A1 PHE 170 HD2 -0.24 0.01 -0.10 -0.04 7.28 6.91 2rc5A1 PHE 170 HE2 -0.43 0.03 -0.18 -0.04 7.38 6.76 2rc5A1 PHE 170 HZ -0.30 0.05 -0.21 -0.04 7.32 6.82 2rc5A1 LEU 171 H 0.06 1.01 0.42 -0.55 8.37 9.31 2rc5A1 LEU 171 HA 0.14 0.22 1.10 -0.75 4.35 5.06 2rc5A1 LEU 171 HB2 0.24 0.03 0.16 -0.04 1.64 2.03 2rc5A1 LEU 171 HB3 0.17 -0.13 -0.01 -0.04 1.64 1.63 2rc5A1 LEU 171 HG 0.15 0.01 -0.56 -0.04 1.64 1.20 2rc5A1 LEU 171 HD13 0.22 -0.00 -0.15 -0.04 0.93 0.96 2rc5A1 LEU 171 HD23 0.12 -0.02 -0.07 -0.04 0.89 0.88 2rc5A1 ALA 172 H 0.26 0.91 0.43 -0.55 8.40 9.46 2rc5A1 ALA 172 HA 0.39 0.40 0.98 -0.75 4.34 5.36 2rc5A1 ALA 172 HB3 0.38 -0.02 -0.24 -0.04 1.41 1.49 2rc5A1 THR 173 H 0.17 0.51 0.43 -0.55 8.28 8.84 2rc5A1 THR 173 HA 0.25 0.28 0.91 -0.75 4.39 5.07 2rc5A1 THR 173 HB 0.10 0.02 0.15 -0.04 4.32 4.55 2rc5A1 THR 173 HG23 0.12 -0.01 -0.02 -0.04 1.22 1.27 2rc5A1 GLY 174 H 0.26 0.82 0.34 -0.55 8.43 9.30 2rc5A1 GLY 174 HA2 0.25 0.15 0.42 -0.51 4.01 4.33 2rc5A1 GLY 174 HA3 0.17 -0.04 0.48 -0.51 4.01 4.11 2rc5A1 THR 175 H 0.19 0.14 0.27 -0.55 8.28 8.33 2rc5A1 THR 175 HA 0.15 0.08 0.36 -0.75 4.39 4.23 2rc5A1 THR 175 HB 0.18 0.23 0.22 -0.04 4.32 4.90 2rc5A1 THR 175 HG23 0.16 -0.08 0.02 -0.04 1.22 1.27 2rc5A1 GLY 176 H 0.14 0.45 -0.25 -0.55 8.43 8.22 2rc5A1 GLY 176 HA2 0.06 0.02 0.33 -0.51 4.01 3.91 2rc5A1 GLY 176 HA3 0.06 0.14 0.00 -0.51 4.01 3.71 2rc5A1 ILE 177 H 0.04 0.52 -0.54 -0.55 8.25 7.72 2rc5A1 ILE 177 HA 0.00 0.04 0.39 -0.75 4.18 3.86 2rc5A1 ILE 177 HB -0.89 0.03 -0.01 -0.04 1.89 0.98 2rc5A1 ILE 177 HG12 -0.40 0.07 -0.11 -0.04 1.49 1.00 2rc5A1 ILE 177 HG13 -0.12 -0.05 -0.16 -0.04 1.21 0.84 2rc5A1 ILE 177 HG23 -0.00 -0.00 -0.14 -0.04 0.93 0.75 2rc5A1 ILE 177 HD13 -0.49 -0.00 -0.09 -0.04 0.88 0.25 2rc5A1 ALA 178 H -0.05 0.62 -0.27 -0.55 8.40 8.16 2rc5A1 ALA 178 HA -0.05 -0.06 0.19 -0.75 4.34 3.66 2rc5A1 ALA 178 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 2rc5A1 PRO 179 HA -0.18 0.28 0.33 -0.51 4.44 4.37 2rc5A1 PRO 179 HB2 -0.18 0.03 -0.08 -0.04 2.28 2.01 2rc5A1 PRO 179 HB3 -0.23 0.03 0.09 -0.04 2.02 1.87 2rc5A1 PRO 179 HG2 -1.79 0.03 -0.07 -0.04 2.03 0.17 2rc5A1 PRO 179 HG3 -0.70 0.00 0.00 -0.04 2.03 1.29 2rc5A1 PRO 179 HD2 -0.40 0.19 -0.36 -0.04 3.68 3.06 2rc5A1 PRO 179 HD3 -0.28 0.03 0.06 -0.04 3.65 3.42 2rc5A1 PHE 180 H -0.53 0.35 -0.48 -0.55 8.34 7.12 2rc5A1 PHE 180 HA -0.68 0.00 0.33 -0.75 4.62 3.52 2rc5A1 PHE 180 HB2 -0.15 0.11 -0.02 -0.04 3.15 3.05 2rc5A1 PHE 180 HB3 -0.41 -0.04 0.02 -0.04 3.06 2.58 2rc5A1 PHE 180 HD2 -0.61 -0.02 -0.18 -0.04 7.28 6.42 2rc5A1 PHE 180 HE2 0.15 0.03 -0.31 -0.04 7.38 7.21 2rc5A1 PHE 180 HZ 0.53 -0.07 -0.43 -0.04 7.32 7.32 2rc5A1 ILE 181 H -0.03 0.50 -0.18 -0.55 8.25 7.99 2rc5A1 ILE 181 HA 0.23 0.01 0.60 -0.75 4.18 4.27 2rc5A1 ILE 181 HB 0.01 0.24 0.20 -0.04 1.89 2.30 2rc5A1 ILE 181 HG12 0.13 -0.07 -0.06 -0.04 1.49 1.45 2rc5A1 ILE 181 HG13 0.09 0.01 -0.10 -0.04 1.21 1.16 2rc5A1 ILE 181 HG23 0.09 -0.03 -0.15 -0.04 0.93 0.80 2rc5A1 ILE 181 HD13 0.01 -0.03 -0.21 -0.04 0.88 0.61 2rc5A1 GLY 182 H -0.08 0.44 -0.04 -0.55 8.43 8.20 2rc5A1 GLY 182 HA2 -0.30 -0.07 0.30 -0.51 4.01 3.44 2rc5A1 GLY 182 HA3 -0.16 0.09 -0.26 -0.51 4.01 3.17 2rc5A1 MET 183 H -0.15 0.65 -0.11 -0.55 8.47 8.31 2rc5A1 MET 183 HA -0.14 0.00 0.36 -0.75 4.52 3.99 2rc5A1 MET 183 HB2 -0.44 -0.04 0.03 -0.04 2.15 1.66 2rc5A1 MET 183 HB3 -0.21 0.01 -0.11 -0.04 2.03 1.67 2rc5A1 MET 183 HG2 -0.18 -0.05 -0.12 -0.04 2.63 2.25 2rc5A1 MET 183 HG3 -0.18 0.24 -0.08 -0.04 2.56 2.51 2rc5A1 MET 183 HE3 -0.08 0.01 -0.31 -0.04 2.10 1.68 2rc5A1 SER 184 H -0.01 0.45 -0.34 -0.55 8.46 8.01 2rc5A1 SER 184 HA 0.13 0.05 0.41 -0.75 4.49 4.33 2rc5A1 SER 184 HB2 0.11 0.13 0.16 -0.04 3.95 4.30 2rc5A1 SER 184 HB3 -0.10 -0.05 -0.02 -0.04 3.93 3.71 2rc5A1 GLU 185 H 0.02 0.55 -0.07 -0.55 8.60 8.55 2rc5A1 GLU 185 HA 0.00 0.05 0.46 -0.75 4.29 4.04 2rc5A1 GLU 185 HB2 0.11 0.07 0.11 -0.04 2.09 2.33 2rc5A1 GLU 185 HB3 -0.38 0.06 0.12 -0.04 1.99 1.75 2rc5A1 GLU 185 HG2 -0.51 -0.09 -0.03 -0.04 2.34 1.67 2rc5A1 GLU 185 HG3 -0.43 -0.02 -0.17 -0.04 2.34 1.69 2rc5A1 GLU 186 H -0.24 0.62 -0.22 -0.55 8.60 8.21 2rc5A1 GLU 186 HA -0.42 -0.07 0.47 -0.75 4.29 3.51 2rc5A1 GLU 186 HB2 -0.20 0.20 0.18 -0.04 2.09 2.24 2rc5A1 GLU 186 HB3 -0.12 0.13 0.09 -0.04 1.99 2.05 2rc5A1 GLU 186 HG2 0.02 -0.01 -0.03 -0.04 2.34 2.28 2rc5A1 GLU 186 HG3 0.00 -0.08 0.06 -0.04 2.34 2.28 2rc5A1 LEU 187 H -0.11 0.64 -0.03 -0.55 8.37 8.32 2rc5A1 LEU 187 HA -0.05 -0.00 0.43 -0.75 4.35 3.97 2rc5A1 LEU 187 HB2 -0.15 0.04 0.14 -0.04 1.64 1.63 2rc5A1 LEU 187 HB3 -0.39 0.02 -0.02 -0.04 1.64 1.21 2rc5A1 LEU 187 HG -0.18 0.06 0.07 -0.04 1.64 1.55 2rc5A1 LEU 187 HD13 -0.53 -0.02 -0.10 -0.04 0.93 0.23 2rc5A1 LEU 187 HD23 -0.32 -0.01 -0.03 -0.04 0.89 0.48 2rc5A1 LEU 188 H -0.09 0.48 -0.18 -0.55 8.37 8.03 2rc5A1 LEU 188 HA -0.02 0.15 0.57 -0.75 4.35 4.30 2rc5A1 LEU 188 HB2 -0.30 0.01 0.07 -0.04 1.64 1.38 2rc5A1 LEU 188 HB3 -0.80 -0.02 0.03 -0.04 1.64 0.81 2rc5A1 LEU 188 HG -0.12 0.01 0.01 -0.04 1.64 1.50 2rc5A1 LEU 188 HD13 -0.57 -0.03 -0.09 -0.04 0.93 0.20 2rc5A1 LEU 188 HD23 -0.07 0.01 -0.10 -0.04 0.89 0.69 2rc5A1 GLU 189 H -0.01 0.30 -0.09 -0.55 8.60 8.25 2rc5A1 GLU 189 HA 0.12 0.22 0.83 -0.75 4.29 4.70 2rc5A1 GLU 189 HB2 0.20 0.02 0.13 -0.04 2.09 2.40 2rc5A1 GLU 189 HB3 0.21 -0.06 -0.00 -0.04 1.99 2.09 2rc5A1 GLU 189 HG2 0.02 -0.00 0.04 -0.04 2.34 2.36 2rc5A1 GLU 189 HG3 0.16 -0.13 0.02 -0.04 2.34 2.35 2rc5A1 HIS 190 H 0.12 0.21 0.24 -0.55 8.41 8.43 2rc5A1 HIS 190 HA 0.00 0.08 0.32 -0.75 4.63 4.27 2rc5A1 HIS 190 HB2 0.01 0.03 0.23 -0.04 3.26 3.49 2rc5A1 HIS 190 HB3 0.02 -0.01 0.00 -0.04 3.20 3.16 2rc5A1 HIS 190 HD2 0.08 -0.09 -0.05 -0.04 6.97 6.87 2rc5A1 HIS 190 HE1 0.00 -0.18 -0.02 -0.04 7.75 7.51 2rc5A1 LYS 191 H 0.10 0.36 -0.05 -0.55 8.42 8.28 2rc5A1 LYS 191 HA 0.08 0.13 0.36 -0.75 4.32 4.14 2rc5A1 LYS 191 HB2 0.05 0.08 -0.16 -0.04 1.87 1.79 2rc5A1 LYS 191 HB3 0.06 -0.05 0.06 -0.04 1.79 1.83 2rc5A1 LYS 191 HG2 0.09 0.09 -0.08 -0.04 1.46 1.52 2rc5A1 LYS 191 HG3 0.09 -0.04 -0.61 -0.04 1.46 0.86 2rc5A1 LYS 191 HD2 0.06 -0.02 -0.09 -0.04 1.69 1.60 2rc5A1 LYS 191 HD3 0.06 -0.09 -0.02 -0.04 1.68 1.59 2rc5A1 LYS 191 HE2 0.09 0.11 0.00 -0.04 2.99 3.15 2rc5A1 LYS 191 HE3 0.09 0.06 0.03 -0.04 2.99 3.13 2rc5A1 LEU 192 H 0.08 0.03 -0.13 -0.55 8.37 7.80 2rc5A1 LEU 192 HA 0.04 0.12 0.54 -0.75 4.35 4.29 2rc5A1 LEU 192 HB2 0.07 -0.02 -0.04 -0.04 1.64 1.60 2rc5A1 LEU 192 HB3 0.08 0.01 -0.01 -0.04 1.64 1.68 2rc5A1 LEU 192 HG 0.15 -0.06 -0.11 -0.04 1.64 1.59 2rc5A1 LEU 192 HD13 0.24 -0.03 -0.04 -0.04 0.93 1.06 2rc5A1 LEU 192 HD23 0.04 0.03 -0.07 -0.04 0.89 0.85 2rc5A1 ILE 193 H 0.06 0.10 -0.11 -0.55 8.25 7.75 2rc5A1 ILE 193 HA 0.06 0.13 0.47 -0.75 4.18 4.08 2rc5A1 ILE 193 HB 0.11 -0.03 -0.47 -0.04 1.89 1.46 2rc5A1 ILE 193 HG12 0.03 -0.06 -0.17 -0.04 1.49 1.24 2rc5A1 ILE 193 HG13 0.11 -0.06 -0.32 -0.04 1.21 0.90 2rc5A1 ILE 193 HG23 0.04 0.03 -0.61 -0.04 0.93 0.35 2rc5A1 ILE 193 HD13 0.08 0.03 -0.20 -0.04 0.88 0.76 2rc5A1 LYS 194 H 0.08 0.07 0.03 -0.55 8.42 8.05 2rc5A1 LYS 194 HA 0.09 0.20 0.82 -0.75 4.32 4.68 2rc5A1 LYS 194 HB2 0.05 -0.09 0.16 -0.04 1.87 1.95 2rc5A1 LYS 194 HB3 0.04 0.03 -0.03 -0.04 1.79 1.79 2rc5A1 LYS 194 HG2 0.03 0.00 -0.01 -0.04 1.46 1.44 2rc5A1 LYS 194 HG3 0.05 0.10 0.01 -0.04 1.46 1.58 2rc5A1 LYS 194 HD2 0.03 0.07 -0.06 -0.04 1.69 1.69 2rc5A1 LYS 194 HD3 0.04 -0.07 -0.04 -0.04 1.68 1.57 2rc5A1 LYS 194 HE2 0.02 -0.03 0.00 -0.04 2.99 2.94 2rc5A1 LYS 194 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 2rc5A1 PHE 195 H 0.20 0.31 0.10 -0.55 8.34 8.41 2rc5A1 PHE 195 HA 0.10 0.26 1.07 -0.75 4.62 5.30 2rc5A1 PHE 195 HB2 0.06 -0.06 -0.00 -0.04 3.15 3.11 2rc5A1 PHE 195 HB3 0.04 0.16 0.19 -0.04 3.06 3.41 2rc5A1 PHE 195 HD2 0.14 0.03 -0.04 -0.04 7.28 7.37 2rc5A1 PHE 195 HE2 0.17 0.08 -0.19 -0.04 7.38 7.40 2rc5A1 PHE 195 HZ -0.01 -0.05 -0.43 -0.04 7.32 6.79 2rc5A1 THR 196 H -0.28 0.60 0.29 -0.55 8.28 8.33 2rc5A1 THR 196 HA -0.23 0.21 0.90 -0.75 4.39 4.52 2rc5A1 THR 196 HB -0.13 -0.02 0.17 -0.04 4.32 4.30 2rc5A1 THR 196 HG23 -0.05 -0.02 -0.21 -0.04 1.22 0.90 2rc5A1 GLY 197 H -1.49 0.03 -0.09 -0.55 8.43 6.33 2rc5A1 GLY 197 HA2 -0.31 0.17 0.55 -0.51 4.01 3.92 2rc5A1 GLY 197 HA3 -0.46 0.27 -0.07 -0.51 4.01 3.24 2rc5A1 ASN 198 H -0.07 0.07 0.11 -0.55 8.53 8.08 2rc5A1 ASN 198 HA 0.04 0.32 1.00 -0.75 4.76 5.37 2rc5A1 ASN 198 HB2 -0.02 -0.11 0.10 -0.04 2.88 2.80 2rc5A1 ASN 198 HB3 -0.01 0.04 -0.07 -0.04 2.79 2.71 2rc5A1 ASN 198 HD21 -0.03 0.01 -0.03 -0.04 7.03 6.94 2rc5A1 ASN 198 HD22 -0.03 -0.07 -0.01 -0.04 7.74 7.59 2rc5A1 ILE 199 H 0.15 0.82 0.37 -0.55 8.25 9.04 2rc5A1 ILE 199 HA -0.14 0.34 1.06 -0.75 4.18 4.69 2rc5A1 ILE 199 HB 0.18 -0.03 0.15 -0.04 1.89 2.15 2rc5A1 ILE 199 HG12 -0.38 -0.02 -0.08 -0.04 1.49 0.97 2rc5A1 ILE 199 HG13 0.27 0.05 -0.18 -0.04 1.21 1.30 2rc5A1 ILE 199 HG23 -0.27 -0.04 -0.22 -0.04 0.93 0.35 2rc5A1 ILE 199 HD13 0.08 -0.01 -0.09 -0.04 0.88 0.81 2rc5A1 THR 200 H -0.22 0.68 0.39 -0.55 8.28 8.59 2rc5A1 THR 200 HA -0.24 0.20 0.94 -0.75 4.39 4.54 2rc5A1 THR 200 HB -0.06 -0.07 0.16 -0.04 4.32 4.31 2rc5A1 THR 200 HG23 -0.04 -0.02 -0.15 -0.04 1.22 0.97 2rc5A1 LEU 201 H -0.39 0.80 0.26 -0.55 8.37 8.49 2rc5A1 LEU 201 HA -0.01 0.17 1.05 -0.75 4.35 4.82 2rc5A1 LEU 201 HB2 0.12 0.00 0.03 -0.04 1.64 1.75 2rc5A1 LEU 201 HB3 -0.17 0.02 0.19 -0.04 1.64 1.63 2rc5A1 LEU 201 HG 0.18 -0.07 -0.23 -0.04 1.64 1.49 2rc5A1 LEU 201 HD13 0.12 0.03 -0.14 -0.04 0.93 0.90 2rc5A1 LEU 201 HD23 0.39 0.00 -0.09 -0.04 0.89 1.15 2rc5A1 VAL 202 H 0.06 0.99 0.38 -0.55 8.24 9.12 2rc5A1 VAL 202 HA 0.11 0.27 0.98 -0.75 4.13 4.73 2rc5A1 VAL 202 HB 0.11 -0.04 0.17 -0.04 2.12 2.32 2rc5A1 VAL 202 HG13 0.11 -0.02 -0.14 -0.04 0.97 0.87 2rc5A1 VAL 202 HG23 0.06 0.03 -0.23 -0.04 0.95 0.77 2rc5A1 TYR 203 H 0.23 0.77 0.34 -0.55 8.29 9.08 2rc5A1 TYR 203 HA 0.16 0.17 0.98 -0.75 4.56 5.12 2rc5A1 TYR 203 HB2 0.16 0.02 -0.17 -0.04 3.06 3.03 2rc5A1 TYR 203 HB3 0.12 0.03 0.10 -0.04 2.98 3.18 2rc5A1 TYR 203 HD2 0.15 0.03 -0.09 -0.04 7.15 7.20 2rc5A1 TYR 203 HE2 0.13 0.11 -0.01 -0.04 6.85 7.03 2rc5A1 GLY 204 H 0.36 0.88 0.46 -0.55 8.43 9.59 2rc5A1 GLY 204 HA2 0.03 0.26 1.05 -0.51 4.01 4.85 2rc5A1 GLY 204 HA3 0.14 -0.10 0.47 -0.51 4.01 4.01 2rc5A1 ALA 205 H -0.06 0.71 0.43 -0.55 8.40 8.94 2rc5A1 ALA 205 HA 0.03 0.05 0.50 -0.75 4.34 4.17 2rc5A1 ALA 205 HB3 -0.12 0.03 -0.10 -0.04 1.41 1.18 2rc5A1 PRO 206 HA -0.14 -0.04 0.52 -0.51 4.44 4.27 2rc5A1 PRO 206 HB2 0.05 0.07 0.03 -0.04 2.28 2.38 2rc5A1 PRO 206 HB3 -0.09 0.09 0.07 -0.04 2.02 2.05 2rc5A1 PRO 206 HG2 0.09 0.11 0.08 -0.04 2.03 2.26 2rc5A1 PRO 206 HG3 0.05 0.04 0.07 -0.04 2.03 2.16 2rc5A1 PRO 206 HD2 0.07 0.12 0.20 -0.04 3.68 4.04 2rc5A1 PRO 206 HD3 0.06 0.10 0.24 -0.04 3.65 4.00 2rc5A1 TYR 207 H 0.09 0.18 -0.01 -0.55 8.29 8.00 2rc5A1 TYR 207 HA -0.02 0.23 0.81 -0.75 4.56 4.83 2rc5A1 TYR 207 HB2 -0.01 -0.00 0.03 -0.04 3.06 3.03 2rc5A1 TYR 207 HB3 -0.01 -0.06 0.08 -0.04 2.98 2.94 2rc5A1 TYR 207 HD2 -0.01 -0.05 -0.09 -0.04 7.15 6.96 2rc5A1 TYR 207 HE2 -0.01 0.08 -0.08 -0.04 6.85 6.79 2rc5A1 SER 208 H 0.11 0.26 0.12 -0.55 8.46 8.40 2rc5A1 SER 208 HA -0.00 0.08 0.31 -0.75 4.49 4.13 2rc5A1 SER 208 HB2 0.02 0.07 0.06 -0.04 3.95 4.06 2rc5A1 SER 208 HB3 0.03 0.04 0.11 -0.04 3.93 4.06 2rc5A1 ASP 209 H 0.08 0.01 -0.21 -0.55 8.40 7.73 2rc5A1 ASP 209 HA 0.03 0.23 0.64 -0.75 4.63 4.77 2rc5A1 ASP 209 HB2 0.01 0.10 0.20 -0.04 2.71 2.98 2rc5A1 ASP 209 HB3 0.01 0.03 0.10 -0.04 2.70 2.80 2rc5A1 GLU 210 H 0.07 0.25 -0.44 -0.55 8.60 7.93 2rc5A1 GLU 210 HA 0.06 0.22 0.80 -0.75 4.29 4.62 2rc5A1 GLU 210 HB2 0.11 -0.08 0.12 -0.04 2.09 2.20 2rc5A1 GLU 210 HB3 0.08 -0.06 0.10 -0.04 1.99 2.08 2rc5A1 GLU 210 HG2 0.07 0.11 0.06 -0.04 2.34 2.54 2rc5A1 GLU 210 HG3 0.07 -0.04 -0.12 -0.04 2.34 2.21 2rc5A1 LEU 211 H -0.01 0.18 -0.23 -0.55 8.37 7.77 2rc5A1 LEU 211 HA -0.15 0.00 0.57 -0.75 4.35 4.03 2rc5A1 LEU 211 HB2 -0.05 0.28 0.14 -0.04 1.64 1.96 2rc5A1 LEU 211 HB3 0.02 -0.01 -0.18 -0.04 1.64 1.43 2rc5A1 LEU 211 HG -0.41 0.02 -0.10 -0.04 1.64 1.11 2rc5A1 LEU 211 HD13 -0.69 0.00 -0.22 -0.04 0.93 -0.02 2rc5A1 LEU 211 HD23 -0.07 -0.02 -0.04 -0.04 0.89 0.72 2rc5A1 VAL 212 H 0.48 0.16 0.03 -0.55 8.24 8.35 2rc5A1 VAL 212 HA 0.13 0.28 0.82 -0.75 4.13 4.60 2rc5A1 VAL 212 HB 0.10 -0.04 -0.04 -0.04 2.12 2.11 2rc5A1 VAL 212 HG13 0.10 0.06 -0.35 -0.04 0.97 0.74 2rc5A1 VAL 212 HG23 0.20 -0.00 -0.19 -0.04 0.95 0.91 2rc5A1 MET 213 H 0.10 0.22 0.10 -0.55 8.47 8.35 2rc5A1 MET 213 HA 0.11 0.04 0.30 -0.75 4.52 4.21 2rc5A1 MET 213 HB2 0.19 0.23 -0.02 -0.04 2.15 2.50 2rc5A1 MET 213 HB3 0.23 -0.02 0.13 -0.04 2.03 2.33 2rc5A1 MET 213 HG2 0.08 -0.08 -0.36 -0.04 2.63 2.23 2rc5A1 MET 213 HG3 0.05 0.06 -0.15 -0.04 2.56 2.48 2rc5A1 MET 213 HE3 -0.23 0.01 -0.05 -0.04 2.10 1.79 2rc5A1 MET 214 H 0.13 0.15 -0.23 -0.55 8.47 7.99 2rc5A1 MET 214 HA 0.19 0.12 0.19 -0.75 4.52 4.26 2rc5A1 MET 214 HB2 0.10 0.02 -0.01 -0.04 2.15 2.22 2rc5A1 MET 214 HB3 0.10 0.04 -0.10 -0.04 2.03 2.04 2rc5A1 MET 214 HG2 0.18 -0.01 -0.53 -0.04 2.63 2.23 2rc5A1 MET 214 HG3 0.09 0.11 -0.14 -0.04 2.56 2.58 2rc5A1 MET 214 HE3 0.11 0.00 -0.09 -0.04 2.10 2.08 2rc5A1 ASP 215 H 0.09 0.10 -0.04 -0.55 8.40 8.00 2rc5A1 ASP 215 HA 0.06 0.12 0.45 -0.75 4.63 4.50 2rc5A1 ASP 215 HB2 0.07 -0.07 0.05 -0.04 2.71 2.71 2rc5A1 ASP 215 HB3 0.05 0.09 -0.04 -0.04 2.70 2.77 2rc5A1 TYR 216 H 0.19 -0.01 -0.45 -0.55 8.29 7.47 2rc5A1 TYR 216 HA 0.01 0.10 0.41 -0.75 4.56 4.33 2rc5A1 TYR 216 HB2 -0.04 -0.02 0.02 -0.04 3.06 2.98 2rc5A1 TYR 216 HB3 0.01 0.03 0.06 -0.04 2.98 3.04 2rc5A1 TYR 216 HD2 0.01 0.03 -0.05 -0.04 7.15 7.10 2rc5A1 TYR 216 HE2 0.10 0.03 -0.02 -0.04 6.85 6.93 2rc5A1 LEU 217 H 0.14 0.56 0.01 -0.55 8.37 8.53 2rc5A1 LEU 217 HA -0.23 0.06 0.42 -0.75 4.35 3.85 2rc5A1 LEU 217 HB2 0.20 -0.03 0.09 -0.04 1.64 1.85 2rc5A1 LEU 217 HB3 0.28 -0.03 -0.06 -0.04 1.64 1.80 2rc5A1 LEU 217 HG 0.27 0.23 0.04 -0.04 1.64 2.13 2rc5A1 LEU 217 HD13 0.25 -0.02 -0.13 -0.04 0.93 0.98 2rc5A1 LEU 217 HD23 0.22 -0.01 -0.08 -0.04 0.89 0.98 2rc5A1 LYS 218 H 0.09 0.74 0.04 -0.55 8.42 8.74 2rc5A1 LYS 218 HA 0.13 0.02 0.54 -0.75 4.32 4.25 2rc5A1 LYS 218 HB2 0.06 0.10 0.09 -0.04 1.87 2.08 2rc5A1 LYS 218 HB3 0.06 -0.01 0.01 -0.04 1.79 1.80 2rc5A1 LYS 218 HG2 0.09 -0.01 0.02 -0.04 1.46 1.52 2rc5A1 LYS 218 HG3 0.11 -0.02 0.03 -0.04 1.46 1.53 2rc5A1 LYS 218 HD2 0.06 -0.00 -0.10 -0.04 1.69 1.60 2rc5A1 LYS 218 HD3 0.05 0.01 -0.03 -0.04 1.68 1.67 2rc5A1 LYS 218 HE2 0.06 0.00 -0.05 -0.04 2.99 2.96 2rc5A1 LYS 218 HE3 0.08 -0.06 -0.10 -0.04 2.99 2.87 2rc5A1 GLY 219 H -0.02 0.37 -0.41 -0.55 8.43 7.83 2rc5A1 GLY 219 HA2 -0.01 0.01 0.42 -0.51 4.01 3.93 2rc5A1 GLY 219 HA3 -0.04 0.10 0.29 -0.51 4.01 3.84 2rc5A1 LEU 220 H -0.28 0.45 -0.13 -0.55 8.37 7.87 2rc5A1 LEU 220 HA -0.01 0.05 0.48 -0.75 4.35 4.12 2rc5A1 LEU 220 HB2 -0.79 0.16 0.14 -0.04 1.64 1.11 2rc5A1 LEU 220 HB3 -1.02 -0.03 -0.06 -0.04 1.64 0.48 2rc5A1 LEU 220 HG -1.05 0.15 0.03 -0.04 1.64 0.73 2rc5A1 LEU 220 HD13 -0.68 -0.03 -0.08 -0.04 0.93 0.10 2rc5A1 LEU 220 HD23 -0.22 -0.01 -0.06 -0.04 0.89 0.56 2rc5A1 GLU 221 H 0.10 0.35 -0.28 -0.55 8.60 8.22 2rc5A1 GLU 221 HA 0.46 0.15 0.53 -0.75 4.29 4.67 2rc5A1 GLU 221 HB2 0.42 -0.04 0.13 -0.04 2.09 2.55 2rc5A1 GLU 221 HB3 0.17 0.12 0.22 -0.04 1.99 2.46 2rc5A1 GLU 221 HG2 0.12 0.00 -0.04 -0.04 2.34 2.38 2rc5A1 GLU 221 HG3 0.17 0.33 0.32 -0.04 2.34 3.12 2rc5A1 SER 222 H 0.06 0.52 -0.03 -0.55 8.46 8.47 2rc5A1 SER 222 HA 0.04 0.06 0.53 -0.75 4.49 4.37 2rc5A1 SER 222 HB2 0.01 -0.03 0.07 -0.04 3.95 3.96 2rc5A1 SER 222 HB3 0.03 -0.06 0.10 -0.04 3.93 3.96 2rc5A1 LYS 223 H -0.03 0.31 -0.38 -0.55 8.42 7.77 2rc5A1 LYS 223 HA -0.15 0.08 0.65 -0.75 4.32 4.15 2rc5A1 LYS 223 HB2 -0.33 0.06 0.13 -0.04 1.87 1.69 2rc5A1 LYS 223 HB3 -0.55 -0.04 0.08 -0.04 1.79 1.24 2rc5A1 LYS 223 HG2 -0.10 -0.06 0.02 -0.04 1.46 1.28 2rc5A1 LYS 223 HG3 -0.07 0.08 0.03 -0.04 1.46 1.46 2rc5A1 LYS 223 HD2 -0.02 -0.01 -0.08 -0.04 1.69 1.55 2rc5A1 LYS 223 HD3 -0.04 -0.04 -0.02 -0.04 1.68 1.54 2rc5A1 LYS 223 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2rc5A1 LYS 223 HE3 -0.01 -0.05 -0.15 -0.04 2.99 2.73 2rc5A1 HIS 224 H 0.05 0.20 -0.30 -0.55 8.41 7.81 2rc5A1 HIS 224 HA 0.04 0.30 1.11 -0.75 4.63 5.32 2rc5A1 HIS 224 HB2 0.11 0.07 0.17 -0.04 3.26 3.57 2rc5A1 HIS 224 HB3 0.10 -0.11 0.05 -0.04 3.20 3.20 2rc5A1 HIS 224 HD2 0.04 0.04 0.02 -0.04 6.97 7.03 2rc5A1 HIS 224 HE1 -0.07 -0.09 -0.03 -0.04 7.75 7.51 2rc5A1 LYS 225 H 0.17 0.35 0.21 -0.55 8.42 8.59 2rc5A1 LYS 225 HA 0.08 0.03 0.40 -0.75 4.32 4.08 2rc5A1 LYS 225 HB2 0.06 0.49 0.67 -0.04 1.87 3.06 2rc5A1 LYS 225 HB3 0.05 -0.07 0.12 -0.04 1.79 1.85 2rc5A1 ASN 226 H 0.18 0.23 -0.98 -0.55 8.53 7.40 2rc5A1 ASN 226 HA 0.08 0.11 0.54 -0.75 4.76 4.74 2rc5A1 ASN 226 HB2 0.16 0.08 0.02 -0.04 2.88 3.11 2rc5A1 ASN 226 HB3 0.20 -0.05 -0.10 -0.04 2.79 2.80 2rc5A1 ASN 226 HD21 0.18 0.14 -0.04 -0.04 7.03 7.27 2rc5A1 ASN 226 HD22 0.34 -0.17 -0.08 -0.04 7.74 7.79 2rc5A1 PHE 227 H 0.25 0.03 -0.31 -0.55 8.34 7.76 2rc5A1 PHE 227 HA 0.05 0.27 0.97 -0.75 4.62 5.15 2rc5A1 PHE 227 HB2 0.02 0.03 -0.19 -0.04 3.15 2.97 2rc5A1 PHE 227 HB3 0.09 0.04 -0.04 -0.04 3.06 3.12 2rc5A1 PHE 227 HD2 0.04 -0.02 -0.22 -0.04 7.28 7.04 2rc5A1 PHE 227 HE2 0.10 0.01 -0.11 -0.04 7.38 7.34 2rc5A1 PHE 227 HZ 0.08 -0.07 -0.09 -0.04 7.32 7.21 2rc5A1 LYS 228 H -0.34 0.85 0.36 -0.55 8.42 8.74 2rc5A1 LYS 228 HA -0.07 0.15 1.03 -0.75 4.32 4.68 2rc5A1 LYS 228 HB2 -0.05 0.06 -0.03 -0.04 1.87 1.82 2rc5A1 LYS 228 HB3 -0.12 -0.02 0.16 -0.04 1.79 1.77 2rc5A1 LYS 228 HG2 -0.05 -0.07 -0.34 -0.04 1.46 0.97 2rc5A1 LYS 228 HG3 -0.02 0.02 0.01 -0.04 1.46 1.43 2rc5A1 LYS 228 HD2 -0.00 0.04 -0.03 -0.04 1.69 1.65 2rc5A1 LYS 228 HD3 -0.02 -0.03 -0.06 -0.04 1.68 1.53 2rc5A1 LYS 228 HE2 0.01 -0.02 -0.05 -0.04 2.99 2.89 2rc5A1 LYS 228 HE3 0.01 -0.05 -0.11 -0.04 2.99 2.80 2rc5A1 LEU 229 H -0.03 0.21 0.14 -0.55 8.37 8.15 2rc5A1 LEU 229 HA -0.12 0.21 1.01 -0.75 4.35 4.70 2rc5A1 LEU 229 HB2 0.27 0.05 -0.07 -0.04 1.64 1.84 2rc5A1 LEU 229 HB3 0.13 -0.01 0.09 -0.04 1.64 1.82 2rc5A1 LEU 229 HG 0.13 -0.02 -0.43 -0.04 1.64 1.28 2rc5A1 LEU 229 HD13 0.26 0.02 -0.08 -0.04 0.93 1.09 2rc5A1 LEU 229 HD23 0.18 -0.03 -0.19 -0.04 0.89 0.81 2rc5A1 ILE 230 H 0.03 0.99 0.38 -0.55 8.25 9.10 2rc5A1 ILE 230 HA 0.05 0.14 0.89 -0.75 4.18 4.50 2rc5A1 ILE 230 HB 0.05 -0.02 0.05 -0.04 1.89 1.92 2rc5A1 ILE 230 HG12 0.02 0.03 -0.08 -0.04 1.49 1.42 2rc5A1 ILE 230 HG13 -0.00 -0.04 -0.61 -0.04 1.21 0.51 2rc5A1 ILE 230 HG23 0.06 -0.01 -0.12 -0.04 0.93 0.81 2rc5A1 ILE 230 HD13 0.02 0.00 -0.17 -0.04 0.88 0.69 2rc5A1 THR 231 H 0.05 0.23 0.15 -0.55 8.28 8.16 2rc5A1 THR 231 HA 0.08 0.31 1.06 -0.75 4.39 5.09 2rc5A1 THR 231 HB -0.03 -0.01 -0.01 -0.04 4.32 4.23 2rc5A1 THR 231 HG23 0.09 0.00 -0.18 -0.04 1.22 1.09 2rc5A1 ALA 232 H 0.02 0.67 0.22 -0.55 8.40 8.77 2rc5A1 ALA 232 HA 0.01 0.15 0.67 -0.75 4.34 4.42 2rc5A1 ALA 232 HB3 0.08 -0.02 -0.37 -0.04 1.41 1.06 2rc5A1 ILE 233 H -0.05 0.21 -0.03 -0.55 8.25 7.84 2rc5A1 ILE 233 HA -0.08 0.47 0.94 -0.75 4.18 4.76 2rc5A1 ILE 233 HB -0.06 0.02 0.10 -0.04 1.89 1.90 2rc5A1 ILE 233 HG12 -0.05 -0.00 -0.27 -0.04 1.49 1.12 2rc5A1 ILE 233 HG13 -0.05 -0.10 -0.44 -0.04 1.21 0.58 2rc5A1 ILE 233 HG23 -0.08 -0.06 -0.23 -0.04 0.93 0.51 2rc5A1 ILE 233 HD13 -0.02 0.02 -0.08 -0.04 0.88 0.76 2rc5A1 SER 234 H -0.12 0.32 0.21 -0.55 8.46 8.33 2rc5A1 SER 234 HA -0.31 0.07 0.28 -0.75 4.49 3.78 2rc5A1 SER 234 HB2 -0.44 -0.05 0.04 -0.04 3.95 3.46 2rc5A1 SER 234 HB3 -0.21 0.05 0.06 -0.04 3.93 3.78 2rc5A1 ARG 235 H -0.31 0.42 -0.01 -0.55 8.46 8.00 2rc5A1 ARG 235 HA -0.20 0.21 0.93 -0.75 4.34 4.52 2rc5A1 ARG 235 HB2 -1.08 0.11 0.07 -0.04 1.90 0.95 2rc5A1 ARG 235 HB3 -0.41 0.03 0.15 -0.04 1.80 1.53 2rc5A1 ARG 235 HG2 -0.15 0.07 -0.04 -0.04 1.67 1.51 2rc5A1 ARG 235 HG3 -0.23 -0.16 -0.19 -0.04 1.67 1.05 2rc5A1 ARG 235 HD2 -0.39 -0.01 -0.06 -0.04 3.22 2.72 2rc5A1 ARG 235 HD3 -0.03 0.06 -0.02 -0.04 3.22 3.19 2rc5A1 GLU 236 H -0.17 0.21 -0.02 -0.55 8.60 8.07 2rc5A1 GLU 236 HA -0.05 0.24 0.93 -0.75 4.29 4.65 2rc5A1 GLU 236 HB2 -0.05 -0.06 0.04 -0.04 2.09 1.97 2rc5A1 GLU 236 HB3 -0.01 0.02 0.13 -0.04 1.99 2.09 2rc5A1 GLU 236 HG2 0.07 0.16 -0.06 -0.04 2.34 2.48 2rc5A1 GLU 236 HG3 -0.11 -0.03 -0.19 -0.04 2.34 1.96 2rc5A1 GLU 237 H -0.12 0.35 0.22 -0.55 8.60 8.50 2rc5A1 GLU 237 HA -0.07 0.21 0.98 -0.75 4.29 4.66 2rc5A1 GLU 237 HB2 -0.09 -0.03 0.13 -0.04 2.09 2.05 2rc5A1 GLU 237 HB3 -0.07 0.06 -0.05 -0.04 1.99 1.89 2rc5A1 GLU 237 HG2 -0.04 0.11 0.00 -0.04 2.34 2.37 2rc5A1 GLU 237 HG3 -0.05 -0.07 -0.23 -0.04 2.34 1.95 2rc5A1 LYS 238 H -0.08 0.20 0.10 -0.55 8.42 8.08 2rc5A1 LYS 238 HA -0.14 0.28 0.81 -0.75 4.32 4.52 2rc5A1 LYS 238 HB2 -0.08 -0.07 0.03 -0.04 1.87 1.71 2rc5A1 LYS 238 HB3 -0.10 0.11 -0.06 -0.04 1.79 1.70 2rc5A1 LYS 238 HG2 -0.08 0.06 -0.15 -0.04 1.46 1.25 2rc5A1 LYS 238 HG3 -0.07 -0.11 -0.21 -0.04 1.46 1.02 2rc5A1 LYS 238 HD2 -0.05 -0.07 -0.02 -0.04 1.69 1.51 2rc5A1 LYS 238 HD3 -0.05 0.10 0.04 -0.04 1.68 1.72 2rc5A1 LYS 238 HE2 -0.03 -0.03 -0.01 -0.04 2.99 2.88 2rc5A1 LYS 238 HE3 -0.04 0.03 -0.02 -0.04 2.99 2.91 2rc5A1 ASN 239 H -0.22 0.60 -0.11 -0.55 8.53 8.24 2rc5A1 ASN 239 HA -0.16 0.13 0.59 -0.75 4.76 4.57 2rc5A1 ASN 239 HB2 -0.10 -0.03 0.09 -0.04 2.88 2.79 2rc5A1 ASN 239 HB3 -0.46 0.02 -0.01 -0.04 2.79 2.31 2rc5A1 ASN 239 HD21 -0.34 -0.10 -0.08 -0.04 7.03 6.47 2rc5A1 ASN 239 HD22 -0.76 0.43 -0.30 -0.04 7.74 7.07 2rc5A1 SER 240 H -0.41 0.16 0.14 -0.55 8.46 7.80 2rc5A1 SER 240 HA -0.21 0.18 0.40 -0.75 4.49 4.10 2rc5A1 SER 240 HB2 -0.29 0.06 0.10 -0.04 3.95 3.78 2rc5A1 SER 240 HB3 -0.30 0.03 0.11 -0.04 3.93 3.73 2rc5A1 PHE 241 H -0.28 -0.09 -0.30 -0.55 8.34 7.12 2rc5A1 PHE 241 HA -0.00 0.21 0.43 -0.75 4.62 4.50 2rc5A1 PHE 241 HB2 0.05 -0.11 0.04 -0.04 3.15 3.09 2rc5A1 PHE 241 HB3 0.04 0.09 -0.01 -0.04 3.06 3.14 2rc5A1 PHE 241 HD2 0.07 -0.01 -0.01 -0.04 7.28 7.29 2rc5A1 PHE 241 HE2 0.07 0.10 0.00 -0.04 7.38 7.51 2rc5A1 PHE 241 HZ 0.04 0.05 -0.14 -0.04 7.32 7.23 2rc5A1 ASP 242 H 0.07 -0.09 -0.02 -0.55 8.40 7.81 2rc5A1 ASP 242 HA 0.04 0.34 0.81 -0.75 4.63 5.07 2rc5A1 ASP 242 HB2 0.05 0.06 0.14 -0.04 2.71 2.92 2rc5A1 ASP 242 HB3 0.09 0.07 -0.09 -0.04 2.70 2.72 2rc5A1 GLY 243 H -0.07 0.17 -0.09 -0.55 8.43 7.90 2rc5A1 GLY 243 HA2 -0.08 0.19 0.29 -0.51 4.01 3.89 2rc5A1 GLY 243 HA3 -0.04 0.08 0.36 -0.51 4.01 3.90 2rc5A1 GLY 244 H -0.06 -0.14 -0.57 -0.55 8.43 7.11 2rc5A1 GLY 244 HA2 -0.03 0.15 0.50 -0.51 4.01 4.12 2rc5A1 GLY 244 HA3 -0.02 -0.01 0.28 -0.51 4.01 3.75 2rc5A1 ARG 245 H -0.06 0.08 0.14 -0.55 8.46 8.07 2rc5A1 ARG 245 HA -0.21 0.27 0.58 -0.75 4.34 4.23 2rc5A1 ARG 245 HB2 -0.47 -0.15 0.06 -0.04 1.90 1.30 2rc5A1 ARG 245 HB3 -0.51 0.13 0.17 -0.04 1.80 1.55 2rc5A1 ARG 245 HG2 -0.12 0.15 0.15 -0.04 1.67 1.82 2rc5A1 ARG 245 HG3 -0.04 -0.11 0.14 -0.04 1.67 1.62 2rc5A1 ARG 245 HD2 0.13 -0.09 0.03 -0.04 3.22 3.24 2rc5A1 ARG 245 HD3 -0.06 -0.01 0.00 -0.04 3.22 3.12 2rc5A1 MET 246 H -0.26 0.64 0.22 -0.55 8.47 8.52 2rc5A1 MET 246 HA -0.11 -0.01 0.57 -0.75 4.52 4.21 2rc5A1 MET 246 HB2 -0.11 0.06 -0.40 -0.04 2.15 1.66 2rc5A1 MET 246 HB3 -0.11 -0.02 -0.13 -0.04 2.03 1.72 2rc5A1 MET 246 HG2 -0.01 0.02 -0.09 -0.04 2.63 2.50 2rc5A1 MET 246 HG3 0.05 -0.06 -0.34 -0.04 2.56 2.17 2rc5A1 MET 246 HE3 -0.06 0.05 -0.20 -0.04 2.10 1.85 2rc5A1 TYR 247 H 0.69 0.15 0.16 -0.55 8.29 8.74 2rc5A1 TYR 247 HA 0.09 0.26 0.78 -0.75 4.56 4.94 2rc5A1 TYR 247 HB2 0.01 -0.05 0.01 -0.04 3.06 2.99 2rc5A1 TYR 247 HB3 0.03 -0.05 0.09 -0.04 2.98 3.01 2rc5A1 TYR 247 HD2 0.14 -0.02 -0.04 -0.04 7.15 7.19 2rc5A1 TYR 247 HE2 0.05 0.00 -0.05 -0.04 6.85 6.82 2rc5A1 ILE 248 H 0.21 0.25 0.07 -0.55 8.25 8.23 2rc5A1 ILE 248 HA 0.13 0.09 0.24 -0.75 4.18 3.89 2rc5A1 ILE 248 HB 0.13 0.08 -0.05 -0.04 1.89 2.00 2rc5A1 ILE 248 HG12 0.12 -0.03 0.00 -0.04 1.49 1.54 2rc5A1 ILE 248 HG13 0.08 -0.04 -0.16 -0.04 1.21 1.05 2rc5A1 ILE 248 HG23 0.17 0.06 -0.14 -0.04 0.93 0.97 2rc5A1 ILE 248 HD13 0.13 0.04 -0.25 -0.04 0.88 0.76 2rc5A1 SER 249 H 0.05 0.05 -0.44 -0.55 8.46 7.58 2rc5A1 SER 249 HA -0.03 0.14 0.38 -0.75 4.49 4.22 2rc5A1 SER 249 HB2 -0.15 0.19 -0.10 -0.04 3.95 3.85 2rc5A1 SER 249 HB3 -0.09 -0.05 -0.19 -0.04 3.93 3.56 2rc5A1 HIS 250 H -0.00 0.27 -0.20 -0.55 8.41 7.94 2rc5A1 HIS 250 HA 0.10 0.13 0.57 -0.75 4.63 4.68 2rc5A1 HIS 250 HB2 0.15 0.09 0.13 -0.04 3.26 3.58 2rc5A1 HIS 250 HB3 0.34 -0.04 0.06 -0.04 3.20 3.52 2rc5A1 HIS 250 HD2 0.19 0.04 -0.02 -0.04 6.97 7.13 2rc5A1 HIS 250 HE1 0.33 0.09 -0.00 -0.04 7.75 8.12 2rc5A1 ARG 251 H 0.18 0.25 -0.19 -0.55 8.46 8.15 2rc5A1 ARG 251 HA 0.15 0.07 0.46 -0.75 4.34 4.27 2rc5A1 ARG 251 HB2 0.11 0.09 0.03 -0.04 1.90 2.09 2rc5A1 ARG 251 HB3 0.09 0.04 -0.12 -0.04 1.80 1.78 2rc5A1 ARG 251 HG2 0.12 -0.04 -0.20 -0.04 1.67 1.52 2rc5A1 ARG 251 HG3 0.09 0.01 -0.37 -0.04 1.67 1.36 2rc5A1 ARG 251 HD2 0.08 0.04 -0.05 -0.04 3.22 3.24 2rc5A1 ARG 251 HD3 0.11 -0.08 -0.14 -0.04 3.22 3.07 2rc5A1 VAL 252 H 0.08 0.62 -0.12 -0.55 8.24 8.27 2rc5A1 VAL 252 HA 0.08 0.05 0.33 -0.75 4.13 3.83 2rc5A1 VAL 252 HB -0.00 0.06 0.10 -0.04 2.12 2.24 2rc5A1 VAL 252 HG13 -0.02 0.02 -0.24 -0.04 0.97 0.70 2rc5A1 VAL 252 HG23 0.06 0.06 -0.05 -0.04 0.95 0.97 2rc5A1 ARG 253 H 0.02 0.33 -0.37 -0.55 8.46 7.88 2rc5A1 ARG 253 HA -0.05 0.09 0.40 -0.75 4.34 4.02 2rc5A1 ARG 253 HB2 -0.24 0.03 0.11 -0.04 1.90 1.76 2rc5A1 ARG 253 HB3 -0.25 0.06 0.13 -0.04 1.80 1.71 2rc5A1 ARG 253 HG2 -0.44 0.00 -0.15 -0.04 1.67 1.04 2rc5A1 ARG 253 HG3 -0.27 0.03 0.03 -0.04 1.67 1.43 2rc5A1 ARG 253 HD2 -0.52 -0.00 -0.01 -0.04 3.22 2.65 2rc5A1 ARG 253 HD3 -1.90 -0.09 -0.01 -0.04 3.22 1.17 2rc5A1 GLU 254 H 0.22 0.42 -0.19 -0.55 8.60 8.50 2rc5A1 GLU 254 HA 0.26 0.02 0.46 -0.75 4.29 4.27 2rc5A1 GLU 254 HB2 0.15 0.11 0.19 -0.04 2.09 2.50 2rc5A1 GLU 254 HB3 0.11 -0.03 0.03 -0.04 1.99 2.05 2rc5A1 GLU 254 HG2 0.14 -0.02 0.06 -0.04 2.34 2.48 2rc5A1 GLU 254 HG3 0.39 0.11 0.07 -0.04 2.34 2.86 2rc5A1 GLN 255 H 0.09 0.37 -0.59 -0.55 8.47 7.80 2rc5A1 GLN 255 HA 0.06 0.07 0.66 -0.75 4.36 4.40 2rc5A1 GLN 255 HB2 0.08 0.09 0.09 -0.04 2.15 2.36 2rc5A1 GLN 255 HB3 0.06 -0.13 0.14 -0.04 2.02 2.05 2rc5A1 GLN 255 HG2 0.07 0.11 -0.11 -0.04 2.40 2.43 2rc5A1 GLN 255 HG3 0.05 -0.05 -0.11 -0.04 2.39 2.23 2rc5A1 GLN 255 HE21 0.03 0.02 -0.08 -0.04 6.97 6.90 2rc5A1 GLN 255 HE22 0.05 -0.04 -0.15 -0.04 7.69 7.51 2rc5A1 ALA 256 H 0.07 0.36 -0.51 -0.55 8.40 7.77 2rc5A1 ALA 256 HA 0.05 0.09 0.31 -0.75 4.34 4.04 2rc5A1 ALA 256 HB3 0.03 0.07 0.10 -0.04 1.41 1.57 2rc5A1 GLU 257 H 0.05 0.14 -0.16 -0.55 8.60 8.08 2rc5A1 GLU 257 HA 0.04 0.12 0.43 -0.75 4.29 4.12 2rc5A1 GLU 257 HB2 0.03 -0.01 0.03 -0.04 2.09 2.10 2rc5A1 GLU 257 HB3 0.02 0.05 0.01 -0.04 1.99 2.03 2rc5A1 GLU 257 HG2 0.03 -0.04 0.04 -0.04 2.34 2.33 2rc5A1 GLU 257 HG3 0.03 0.04 0.02 -0.04 2.34 2.38 2rc5A1 ALA 258 H 0.04 0.11 -0.21 -0.55 8.40 7.79 2rc5A1 ALA 258 HA 0.02 0.08 0.50 -0.75 4.34 4.19 2rc5A1 ALA 258 HB3 0.03 0.04 0.03 -0.04 1.41 1.47 2rc5A1 VAL 259 H 0.10 0.62 -0.12 -0.55 8.24 8.29 2rc5A1 VAL 259 HA 0.32 0.01 0.43 -0.75 4.13 4.13 2rc5A1 VAL 259 HB 0.12 0.13 0.14 -0.04 2.12 2.47 2rc5A1 VAL 259 HG13 0.20 -0.02 -0.09 -0.04 0.97 1.02 2rc5A1 VAL 259 HG23 0.19 0.03 -0.02 -0.04 0.95 1.11 2rc5A1 LYS 260 H 0.09 0.63 -0.11 -0.55 8.42 8.48 2rc5A1 LYS 260 HA 0.10 0.01 0.44 -0.75 4.32 4.12 2rc5A1 LYS 260 HB2 0.05 0.05 0.18 -0.04 1.87 2.11 2rc5A1 LYS 260 HB3 0.04 -0.04 -0.03 -0.04 1.79 1.72 2rc5A1 LYS 260 HG2 0.05 0.01 -0.01 -0.04 1.46 1.46 2rc5A1 LYS 260 HG3 0.06 0.05 0.01 -0.04 1.46 1.53 2rc5A1 LYS 260 HD2 0.03 -0.09 -0.10 -0.04 1.69 1.49 2rc5A1 LYS 260 HD3 0.03 -0.03 -0.03 -0.04 1.68 1.61 2rc5A1 LYS 260 HE2 0.02 0.05 -0.00 -0.04 2.99 3.01 2rc5A1 LYS 260 HE3 0.02 0.06 -0.02 -0.04 2.99 3.01 2rc5A1 LYS 261 H 0.04 0.47 -0.23 -0.55 8.42 8.14 2rc5A1 LYS 261 HA 0.00 0.03 0.50 -0.75 4.32 4.11 2rc5A1 LYS 261 HB2 -0.00 0.13 0.18 -0.04 1.87 2.13 2rc5A1 LYS 261 HB3 -0.02 -0.05 0.01 -0.04 1.79 1.69 2rc5A1 LYS 261 HG2 -0.00 -0.03 0.04 -0.04 1.46 1.43 2rc5A1 LYS 261 HG3 0.01 0.15 0.03 -0.04 1.46 1.61 2rc5A1 LYS 261 HD2 -0.01 -0.02 0.01 -0.04 1.69 1.62 2rc5A1 LYS 261 HD3 -0.02 0.01 0.01 -0.04 1.68 1.64 2rc5A1 LYS 261 HE2 -0.01 0.01 -0.03 -0.04 2.99 2.92 2rc5A1 LYS 261 HE3 -0.00 -0.01 -0.04 -0.04 2.99 2.90 2rc5A1 ILE 262 H 0.00 0.41 -0.35 -0.55 8.25 7.77 2rc5A1 ILE 262 HA -0.09 -0.05 0.51 -0.75 4.18 3.79 2rc5A1 ILE 262 HB -0.28 0.13 0.11 -0.04 1.89 1.81 2rc5A1 ILE 262 HG12 -0.15 -0.05 -0.20 -0.04 1.49 1.04 2rc5A1 ILE 262 HG13 -0.10 0.23 -0.02 -0.04 1.21 1.28 2rc5A1 ILE 262 HG23 -0.81 -0.03 -0.44 -0.04 0.93 -0.39 2rc5A1 ILE 262 HD13 -0.27 -0.01 -0.27 -0.04 0.88 0.28 2rc5A1 LEU 263 H 0.13 0.65 0.07 -0.55 8.37 8.68 2rc5A1 LEU 263 HA 0.16 0.04 0.33 -0.75 4.35 4.12 2rc5A1 LEU 263 HB2 0.14 0.03 0.15 -0.04 1.64 1.92 2rc5A1 LEU 263 HB3 0.14 -0.03 0.01 -0.04 1.64 1.73 2rc5A1 LEU 263 HG 0.47 0.09 0.02 -0.04 1.64 2.18 2rc5A1 LEU 263 HD13 0.18 -0.01 -0.10 -0.04 0.93 0.96 2rc5A1 LEU 263 HD23 0.33 -0.02 -0.03 -0.04 0.89 1.12 2rc5A1 ASN 264 H 0.04 0.43 -0.35 -0.55 8.53 8.10 2rc5A1 ASN 264 HA 0.03 0.11 0.62 -0.75 4.76 4.77 2rc5A1 ASN 264 HB2 0.02 0.10 0.06 -0.04 2.88 3.02 2rc5A1 ASN 264 HB3 0.01 -0.07 0.06 -0.04 2.79 2.75 2rc5A1 ASN 264 HD21 0.03 -0.04 -0.01 -0.04 7.03 6.97 2rc5A1 ASN 264 HD22 0.02 -0.03 -0.03 -0.04 7.74 7.66 2rc5A1 GLY 265 H -0.01 0.27 -0.25 -0.55 8.43 7.89 2rc5A1 GLY 265 HA2 -0.03 0.12 0.78 -0.51 4.01 4.37 2rc5A1 GLY 265 HA3 -0.04 0.05 0.42 -0.51 4.01 3.92 2rc5A1 GLY 266 H -0.00 0.24 -0.19 -0.55 8.43 7.93 2rc5A1 GLY 266 HA2 0.03 0.07 0.31 -0.51 4.01 3.91 2rc5A1 GLY 266 HA3 -0.04 -0.02 0.35 -0.51 4.01 3.79 2rc5A1 GLY 267 H -0.02 0.15 -0.08 -0.55 8.43 7.93 2rc5A1 GLY 267 HA2 0.28 -0.01 0.53 -0.51 4.01 4.30 2rc5A1 GLY 267 HA3 0.01 0.01 0.43 -0.51 4.01 3.95 2rc5A1 ARG 268 H 0.06 0.48 0.38 -0.55 8.46 8.82 2rc5A1 ARG 268 HA -0.01 0.25 1.01 -0.75 4.34 4.84 2rc5A1 ARG 268 HB2 0.14 -0.13 -0.01 -0.04 1.90 1.86 2rc5A1 ARG 268 HB3 -0.01 -0.03 -0.20 -0.04 1.80 1.53 2rc5A1 ARG 268 HG2 0.26 0.43 0.01 -0.04 1.67 2.33 2rc5A1 ARG 268 HG3 0.25 -0.05 -0.31 -0.04 1.67 1.51 2rc5A1 ARG 268 HD2 -0.39 -0.11 -0.05 -0.04 3.22 2.63 2rc5A1 ARG 268 HD3 -0.25 -0.04 -0.10 -0.04 3.22 2.79 2rc5A1 PHE 269 H 0.09 0.83 0.22 -0.55 8.34 8.94 2rc5A1 PHE 269 HA 0.11 0.19 0.98 -0.75 4.62 5.15 2rc5A1 PHE 269 HB2 0.04 -0.04 0.21 -0.04 3.15 3.32 2rc5A1 PHE 269 HB3 0.09 -0.09 0.01 -0.04 3.06 3.03 2rc5A1 PHE 269 HD2 0.04 0.11 0.04 -0.04 7.28 7.42 2rc5A1 PHE 269 HE2 0.05 -0.01 -0.06 -0.04 7.38 7.32 2rc5A1 PHE 269 HZ 0.07 0.11 0.02 -0.04 7.32 7.48 2rc5A1 TYR 270 H 0.42 0.86 0.36 -0.55 8.29 9.37 2rc5A1 TYR 270 HA 0.25 0.26 0.97 -0.75 4.56 5.28 2rc5A1 TYR 270 HB2 0.37 -0.07 0.11 -0.04 3.06 3.44 2rc5A1 TYR 270 HB3 0.38 -0.04 -0.09 -0.04 2.98 3.19 2rc5A1 TYR 270 HD2 -0.76 -0.02 -0.28 -0.04 7.15 6.05 2rc5A1 TYR 270 HE2 -0.51 0.04 -0.30 -0.04 6.85 6.04 2rc5A1 ILE 271 H 0.53 0.75 0.34 -0.55 8.25 9.32 2rc5A1 ILE 271 HA 0.44 0.38 1.14 -0.75 4.18 5.37 2rc5A1 ILE 271 HB 0.25 -0.11 0.13 -0.04 1.89 2.13 2rc5A1 ILE 271 HG12 0.21 0.05 -0.19 -0.04 1.49 1.52 2rc5A1 ILE 271 HG13 0.26 0.03 -0.37 -0.04 1.21 1.09 2rc5A1 ILE 271 HG23 0.17 -0.04 -0.16 -0.04 0.93 0.86 2rc5A1 ILE 271 HD13 0.10 -0.02 -0.10 -0.04 0.88 0.82 2rc5A1 CYS 272 H 0.47 0.84 0.40 -0.55 8.50 9.67 2rc5A1 CYS 272 HA 0.08 0.23 0.91 -0.75 4.58 5.05 2rc5A1 CYS 272 HB2 -0.05 -0.01 -0.11 -0.04 2.97 2.75 2rc5A1 CYS 272 HB3 -0.13 0.18 0.14 -0.04 2.97 3.12 2rc5A1 GLY 273 H -0.20 0.49 0.44 -0.55 8.43 8.62 2rc5A1 GLY 273 HA2 -0.37 0.00 0.41 -0.51 4.01 3.54 2rc5A1 GLY 273 HA3 -0.08 0.13 1.15 -0.51 4.01 4.69 2rc5A1 GLY 274 H -0.14 0.27 0.24 -0.55 8.43 8.26 2rc5A1 GLY 274 HA2 -0.22 0.01 0.79 -0.51 4.01 4.08 2rc5A1 GLY 274 HA3 -0.16 0.06 0.31 -0.51 4.01 3.71 2rc5A1 PRO 275 HA -0.05 0.06 0.39 -0.51 4.44 4.33 2rc5A1 PRO 275 HB2 -0.02 0.13 0.08 -0.04 2.28 2.44 2rc5A1 PRO 275 HB3 -0.00 0.07 0.13 -0.04 2.02 2.17 2rc5A1 PRO 275 HG2 -0.05 0.08 -0.06 -0.04 2.03 1.96 2rc5A1 PRO 275 HG3 -0.03 0.08 0.06 -0.04 2.03 2.10 2rc5A1 PRO 275 HD2 -0.07 0.06 0.29 -0.04 3.68 3.92 2rc5A1 PRO 275 HD3 -0.03 0.12 0.17 -0.04 3.65 3.87 2rc5A1 LYS 276 H -0.01 0.29 0.15 -0.55 8.42 8.29 2rc5A1 LYS 276 HA -0.02 -0.09 0.36 -0.75 4.32 3.82 2rc5A1 LYS 276 HB2 0.02 0.12 0.16 -0.04 1.87 2.13 2rc5A1 LYS 276 HB3 0.01 0.05 0.10 -0.04 1.79 1.91 2rc5A1 LYS 276 HG2 0.01 0.00 -0.13 -0.04 1.46 1.31 2rc5A1 LYS 276 HG3 0.03 0.04 -0.04 -0.04 1.46 1.44 2rc5A1 LYS 276 HD2 0.03 0.03 0.05 -0.04 1.69 1.76 2rc5A1 LYS 276 HD3 0.01 0.01 0.00 -0.04 1.68 1.67 2rc5A1 LYS 276 HE2 0.02 0.03 0.02 -0.04 2.99 3.02 2rc5A1 LYS 276 HE3 0.02 -0.02 -0.00 -0.04 2.99 2.95 2rc5A1 GLY 277 H 0.00 0.08 0.16 -0.55 8.43 8.13 2rc5A1 GLY 277 HA2 0.02 0.00 0.33 -0.51 4.01 3.85 2rc5A1 GLY 277 HA3 -0.01 0.21 0.49 -0.51 4.01 4.19 2rc5A1 MET 278 H -0.03 0.32 -0.11 -0.55 8.47 8.11 2rc5A1 MET 278 HA -0.06 0.13 0.44 -0.75 4.52 4.27 2rc5A1 MET 278 HB2 -0.05 -0.04 -0.04 -0.04 2.15 1.97 2rc5A1 MET 278 HB3 -0.06 0.17 -0.23 -0.04 2.03 1.87 2rc5A1 MET 278 HG2 -0.05 0.07 -0.51 -0.04 2.63 2.10 2rc5A1 MET 278 HG3 -0.03 -0.12 -0.23 -0.04 2.56 2.14 2rc5A1 MET 278 HE3 0.07 -0.03 -0.42 -0.04 2.10 1.68 2rc5A1 GLU 279 H 0.03 0.05 -0.32 -0.55 8.60 7.82 2rc5A1 GLU 279 HA 0.07 0.11 0.35 -0.75 4.29 4.08 2rc5A1 GLU 279 HB2 0.13 0.10 -0.01 -0.04 2.09 2.27 2rc5A1 GLU 279 HB3 0.10 -0.01 -0.02 -0.04 1.99 2.02 2rc5A1 GLU 279 HG2 0.19 0.06 -0.41 -0.04 2.34 2.14 2rc5A1 GLU 279 HG3 0.15 0.10 -0.14 -0.04 2.34 2.41 2rc5A1 LYS 280 H -0.01 0.30 -0.52 -0.55 8.42 7.64 2rc5A1 LYS 280 HA 0.02 0.06 0.28 -0.75 4.32 3.93 2rc5A1 LYS 280 HB2 -0.24 0.03 0.08 -0.04 1.87 1.69 2rc5A1 LYS 280 HB3 -0.21 0.06 0.08 -0.04 1.79 1.69 2rc5A1 LYS 280 HG2 -0.55 -0.01 -0.19 -0.04 1.46 0.67 2rc5A1 LYS 280 HG3 -1.87 -0.04 -0.00 -0.04 1.46 -0.49 2rc5A1 LYS 280 HD2 -0.37 0.02 -0.00 -0.04 1.69 1.30 2rc5A1 LYS 280 HD3 -0.27 0.04 -0.04 -0.04 1.68 1.37 2rc5A1 LYS 280 HE2 -0.22 0.05 -0.02 -0.04 2.99 2.76 2rc5A1 LYS 280 HE3 -0.37 -0.01 -0.04 -0.04 2.99 2.52 2rc5A1 GLY 281 H -0.09 0.21 -0.18 -0.55 8.43 7.82 2rc5A1 GLY 281 HA2 -0.11 0.09 0.32 -0.51 4.01 3.80 2rc5A1 GLY 281 HA3 -0.11 0.06 0.23 -0.51 4.01 3.68 2rc5A1 VAL 282 H -0.02 0.22 -0.40 -0.55 8.24 7.49 2rc5A1 VAL 282 HA -0.04 0.02 0.45 -0.75 4.13 3.81 2rc5A1 VAL 282 HB 0.04 0.10 0.06 -0.04 2.12 2.28 2rc5A1 VAL 282 HG13 0.02 0.02 -0.20 -0.04 0.97 0.77 2rc5A1 VAL 282 HG23 0.03 0.02 -0.10 -0.04 0.95 0.86 2rc5A1 ILE 283 H 0.08 0.82 0.01 -0.55 8.25 8.61 2rc5A1 ILE 283 HA 0.01 0.07 0.41 -0.75 4.18 3.92 2rc5A1 ILE 283 HB 0.41 0.02 0.10 -0.04 1.89 2.38 2rc5A1 ILE 283 HG12 0.04 0.05 -0.04 -0.04 1.49 1.50 2rc5A1 ILE 283 HG13 0.08 -0.02 -0.01 -0.04 1.21 1.22 2rc5A1 ILE 283 HG23 0.23 -0.00 -0.16 -0.04 0.93 0.96 2rc5A1 ILE 283 HD13 0.11 -0.04 -0.16 -0.04 0.88 0.76 2rc5A1 GLU 284 H 0.05 0.69 -0.11 -0.55 8.60 8.68 2rc5A1 GLU 284 HA -0.06 0.05 0.36 -0.75 4.29 3.88 2rc5A1 GLU 284 HB2 -0.05 0.01 0.08 -0.04 2.09 2.08 2rc5A1 GLU 284 HB3 0.03 -0.05 0.06 -0.04 1.99 1.99 2rc5A1 GLU 284 HG2 -0.08 0.08 0.09 -0.04 2.34 2.40 2rc5A1 GLU 284 HG3 -0.09 0.01 -0.11 -0.04 2.34 2.11 2rc5A1 GLU 285 H -0.07 0.26 -0.54 -0.55 8.60 7.70 2rc5A1 GLU 285 HA -0.12 0.06 0.61 -0.75 4.29 4.08 2rc5A1 GLU 285 HB2 -0.11 0.10 0.15 -0.04 2.09 2.19 2rc5A1 GLU 285 HB3 -0.09 0.13 0.14 -0.04 1.99 2.13 2rc5A1 GLU 285 HG2 -0.12 0.30 0.10 -0.04 2.34 2.58 2rc5A1 GLU 285 HG3 -0.10 -0.02 -0.17 -0.04 2.34 2.01 2rc5A1 ILE 286 H -0.11 0.47 -0.04 -0.55 8.25 8.02 2rc5A1 ILE 286 HA -0.10 0.05 0.49 -0.75 4.18 3.87 2rc5A1 ILE 286 HB -0.09 0.08 0.16 -0.04 1.89 2.00 2rc5A1 ILE 286 HG12 -0.45 -0.00 -0.01 -0.04 1.49 0.99 2rc5A1 ILE 286 HG13 -0.20 0.08 0.03 -0.04 1.21 1.08 2rc5A1 ILE 286 HG23 -0.19 0.00 -0.10 -0.04 0.93 0.59 2rc5A1 ILE 286 HD13 -0.76 -0.03 -0.12 -0.04 0.88 -0.07 2rc5A1 GLN 287 H -0.27 0.41 -0.29 -0.55 8.47 7.78 2rc5A1 GLN 287 HA -1.15 0.02 0.43 -0.75 4.36 2.90 2rc5A1 GLN 287 HB2 -1.02 -0.01 -0.00 -0.04 2.15 1.08 2rc5A1 GLN 287 HB3 -0.40 0.08 0.10 -0.04 2.02 1.76 2rc5A1 GLN 287 HG2 -0.48 0.29 -0.17 -0.04 2.40 2.01 2rc5A1 GLN 287 HG3 -1.40 -0.11 -0.06 -0.04 2.39 0.78 2rc5A1 GLN 287 HE21 -0.03 0.30 -0.38 -0.04 6.97 6.81 2rc5A1 GLN 287 HE22 -0.15 -0.20 -0.37 -0.04 7.69 6.93 2rc5A1 LYS 288 H -0.21 0.50 -0.09 -0.55 8.42 8.07 2rc5A1 LYS 288 HA -0.13 0.05 0.45 -0.75 4.32 3.93 2rc5A1 LYS 288 HB2 -0.13 0.08 0.18 -0.04 1.87 1.95 2rc5A1 LYS 288 HB3 -0.11 -0.02 -0.02 -0.04 1.79 1.60 2rc5A1 LYS 288 HG2 -0.10 -0.02 0.05 -0.04 1.46 1.35 2rc5A1 LYS 288 HG3 -0.12 0.18 0.13 -0.04 1.46 1.60 2rc5A1 LYS 288 HD2 -0.12 -0.03 0.03 -0.04 1.69 1.52 2rc5A1 LYS 288 HD3 -0.10 -0.02 -0.00 -0.04 1.68 1.52 2rc5A1 LYS 288 HE2 -0.07 -0.04 -0.03 -0.04 2.99 2.80 2rc5A1 LYS 288 HE3 -0.08 0.00 -0.02 -0.04 2.99 2.85 2rc5A1 ILE 289 H -0.11 0.40 -0.37 -0.55 8.25 7.62 2rc5A1 ILE 289 HA -0.04 0.01 0.41 -0.75 4.18 3.81 2rc5A1 ILE 289 HB -0.02 0.09 0.13 -0.04 1.89 2.05 2rc5A1 ILE 289 HG12 -0.01 -0.06 0.06 -0.04 1.49 1.44 2rc5A1 ILE 289 HG13 -0.06 -0.02 0.02 -0.04 1.21 1.11 2rc5A1 ILE 289 HG23 0.04 -0.02 -0.11 -0.04 0.93 0.80 2rc5A1 ILE 289 HD13 -0.01 -0.04 -0.17 -0.04 0.88 0.63 2rc5A1 SER 290 H -0.07 0.44 -0.14 -0.55 8.46 8.14 2rc5A1 SER 290 HA 0.05 0.04 0.42 -0.75 4.49 4.25 2rc5A1 SER 290 HB2 0.15 -0.03 0.09 -0.04 3.95 4.12 2rc5A1 SER 290 HB3 0.18 0.07 0.11 -0.04 3.93 4.25 2rc5A1 GLY 291 H -0.09 0.37 -0.51 -0.55 8.43 7.65 2rc5A1 GLY 291 HA2 -0.06 0.05 0.26 -0.51 4.01 3.75 2rc5A1 GLY 291 HA3 -0.03 0.05 0.49 -0.51 4.01 4.01 2rc5A1 ASN 292 H -0.10 0.10 -0.37 -0.55 8.53 7.62 2rc5A1 ASN 292 HA -0.03 0.02 0.51 -0.75 4.76 4.50 2rc5A1 ASN 292 HB2 0.05 0.09 0.01 -0.04 2.88 2.99 2rc5A1 ASN 292 HB3 -0.28 -0.01 0.02 -0.04 2.79 2.48 2rc5A1 ASN 292 HD21 -0.02 -0.03 -0.04 -0.04 7.03 6.90 2rc5A1 ASN 292 HD22 0.02 0.11 -0.02 -0.04 7.74 7.81 2rc5A1 THR 293 H -0.03 0.11 0.10 -0.55 8.28 7.90 2rc5A1 THR 293 HA -0.07 0.25 0.82 -0.75 4.39 4.63 2rc5A1 THR 293 HB -0.03 -0.05 0.17 -0.04 4.32 4.38 2rc5A1 THR 293 HG23 -0.04 0.04 -0.14 -0.04 1.22 1.03 2rc5A1 GLY 294 H -0.02 0.03 -0.15 -0.55 8.43 7.74 2rc5A1 GLY 294 HA2 0.01 0.13 0.61 -0.51 4.01 4.25 2rc5A1 GLY 294 HA3 0.02 0.00 0.28 -0.51 4.01 3.81 2rc5A1 THR 295 H 0.03 0.09 0.12 -0.55 8.28 7.97 2rc5A1 THR 295 HA 0.05 0.18 0.43 -0.75 4.39 4.30 2rc5A1 THR 295 HB 0.06 -0.00 0.14 -0.04 4.32 4.48 2rc5A1 THR 295 HG23 0.03 0.05 0.08 -0.04 1.22 1.34 2rc5A1 TYR 296 H 0.17 0.21 0.14 -0.55 8.29 8.26 2rc5A1 TYR 296 HA 0.05 0.14 0.37 -0.75 4.56 4.37 2rc5A1 TYR 296 HB2 -0.01 0.09 0.11 -0.04 3.06 3.22 2rc5A1 TYR 296 HB3 0.01 -0.04 0.13 -0.04 2.98 3.04 2rc5A1 TYR 296 HD2 0.01 0.02 -0.07 -0.04 7.15 7.08 2rc5A1 TYR 296 HE2 0.02 0.02 -0.04 -0.04 6.85 6.81 2rc5A1 GLU 297 H 0.10 0.08 -0.19 -0.55 8.60 8.05 2rc5A1 GLU 297 HA -0.20 0.08 0.42 -0.75 4.29 3.84 2rc5A1 GLU 297 HB2 0.01 0.06 0.05 -0.04 2.09 2.17 2rc5A1 GLU 297 HB3 0.07 -0.04 0.09 -0.04 1.99 2.07 2rc5A1 GLU 297 HG2 0.02 0.05 -0.02 -0.04 2.34 2.34 2rc5A1 GLU 297 HG3 0.02 -0.03 -0.12 -0.04 2.34 2.17 2rc5A1 GLU 298 H 0.04 0.02 -0.27 -0.55 8.60 7.84 2rc5A1 GLU 298 HA 0.07 0.09 0.45 -0.75 4.29 4.14 2rc5A1 GLU 298 HB2 0.06 0.07 0.07 -0.04 2.09 2.25 2rc5A1 GLU 298 HB3 0.05 0.07 -0.03 -0.04 1.99 2.04 2rc5A1 GLU 298 HG2 0.05 0.08 0.03 -0.04 2.34 2.45 2rc5A1 GLU 298 HG3 0.04 -0.10 0.05 -0.04 2.34 2.29 2rc5A1 PHE 299 H 0.12 0.47 -0.27 -0.55 8.34 8.10 2rc5A1 PHE 299 HA -0.07 0.09 0.38 -0.75 4.62 4.28 2rc5A1 PHE 299 HB2 -0.06 0.00 -0.08 -0.04 3.15 2.97 2rc5A1 PHE 299 HB3 -0.09 0.02 0.02 -0.04 3.06 2.96 2rc5A1 PHE 299 HD2 -0.10 -0.05 -0.15 -0.04 7.28 6.94 2rc5A1 PHE 299 HE2 -0.09 0.02 -0.10 -0.04 7.38 7.18 2rc5A1 PHE 299 HZ -0.05 0.09 -0.20 -0.04 7.32 7.13 2rc5A1 LYS 300 H -0.13 0.57 -0.04 -0.55 8.42 8.27 2rc5A1 LYS 300 HA -0.20 0.06 0.40 -0.75 4.32 3.82 2rc5A1 LYS 300 HB2 -0.45 -0.05 0.03 -0.04 1.87 1.37 2rc5A1 LYS 300 HB3 -0.46 0.09 0.12 -0.04 1.79 1.50 2rc5A1 LYS 300 HG2 -0.14 0.04 -0.23 -0.04 1.46 1.09 2rc5A1 LYS 300 HG3 -0.12 -0.01 -0.11 -0.04 1.46 1.18 2rc5A1 LYS 300 HD2 -0.05 -0.05 -0.10 -0.04 1.69 1.45 2rc5A1 LYS 300 HD3 -0.31 -0.02 -0.09 -0.04 1.68 1.22 2rc5A1 LYS 300 HE2 -0.01 0.02 -0.06 -0.04 2.99 2.89 2rc5A1 LYS 300 HE3 -0.03 0.06 -0.09 -0.04 2.99 2.89 2rc5A1 HIS 301 H -0.01 0.50 -0.14 -0.55 8.41 8.21 2rc5A1 HIS 301 HA -0.13 0.02 0.40 -0.75 4.63 4.17 2rc5A1 HIS 301 HB2 -0.08 0.03 0.13 -0.04 3.26 3.30 2rc5A1 HIS 301 HB3 -0.06 0.05 0.08 -0.04 3.20 3.23 2rc5A1 HIS 301 HD2 -0.11 -0.04 0.08 -0.04 6.97 6.86 2rc5A1 HIS 301 HE1 -0.05 0.01 -0.02 -0.04 7.75 7.64 2rc5A1 HIS 302 H 0.01 0.43 -0.22 -0.55 8.41 8.09 2rc5A1 HIS 302 HA -0.24 0.02 0.54 -0.75 4.63 4.20 2rc5A1 HIS 302 HB2 -0.13 0.22 0.21 -0.04 3.26 3.52 2rc5A1 HIS 302 HB3 -0.28 0.13 0.14 -0.04 3.20 3.14 2rc5A1 HIS 302 HD2 -0.16 0.05 -0.21 -0.04 6.97 6.60 2rc5A1 HIS 302 HE1 -0.04 -0.02 -0.01 -0.04 7.75 7.64 2rc5A1 LEU 303 H -0.24 0.52 -0.18 -0.55 8.37 7.92 2rc5A1 LEU 303 HA -0.14 0.11 0.43 -0.75 4.35 4.00 2rc5A1 LEU 303 HB2 -0.31 0.05 0.15 -0.04 1.64 1.49 2rc5A1 LEU 303 HB3 -0.14 -0.06 -0.18 -0.04 1.64 1.21 2rc5A1 LEU 303 HG -0.97 0.05 -0.01 -0.04 1.64 0.67 2rc5A1 LEU 303 HD13 -0.12 -0.01 -0.10 -0.04 0.93 0.66 2rc5A1 LEU 303 HD23 -0.05 0.02 -0.05 -0.04 0.89 0.76 2rc5A1 GLU 304 H -0.17 0.55 -0.07 -0.55 8.60 8.36 2rc5A1 GLU 304 HA -0.37 0.08 0.59 -0.75 4.29 3.84 2rc5A1 GLU 304 HB2 -0.05 0.01 0.16 -0.04 2.09 2.16 2rc5A1 GLU 304 HB3 -0.16 -0.02 0.07 -0.04 1.99 1.84 2rc5A1 GLU 304 HG2 -0.20 0.13 -0.02 -0.04 2.34 2.21 2rc5A1 GLU 304 HG3 -0.13 0.23 0.05 -0.04 2.34 2.44 2rc5A1 GLY 305 H -0.24 0.75 -0.02 -0.55 8.43 8.37 2rc5A1 GLY 305 HA2 -0.29 -0.02 0.54 -0.51 4.01 3.73 2rc5A1 GLY 305 HA3 -0.35 0.02 0.36 -0.51 4.01 3.53 2rc5A1 ALA 306 H -0.25 0.47 -0.26 -0.55 8.40 7.81 2rc5A1 ALA 306 HA -0.12 0.04 0.50 -0.75 4.34 4.01 2rc5A1 ALA 306 HB3 -0.08 -0.01 0.12 -0.04 1.41 1.40 2rc5A1 HIS 307 H -0.35 0.31 -0.77 -0.55 8.41 7.05 2rc5A1 HIS 307 HA -0.22 0.02 0.34 -0.75 4.63 4.02 2rc5A1 HIS 307 HB2 0.09 0.22 0.17 -0.04 3.26 3.70 2rc5A1 HIS 307 HB3 0.23 -0.07 0.24 -0.04 3.20 3.56 2rc5A1 HIS 307 HD2 0.13 -0.02 0.07 -0.04 6.97 7.10 2rc5A1 HIS 307 HE1 0.01 -0.07 0.02 -0.04 7.75 7.67 2rc5A1 GLN 308 H -0.18 0.58 0.09 -0.55 8.47 8.42 2rc5A1 GLN 308 HA 0.11 0.30 0.94 -0.75 4.36 4.96 2rc5A1 GLN 308 HB2 -0.00 -0.04 0.03 -0.04 2.15 2.10 2rc5A1 GLN 308 HB3 0.08 -0.14 0.11 -0.04 2.02 2.03 2rc5A1 GLN 308 HG2 0.10 0.36 -0.13 -0.04 2.40 2.69 2rc5A1 GLN 308 HG3 0.06 0.16 -0.31 -0.04 2.39 2.26 2rc5A1 GLN 308 HE21 0.04 0.05 0.07 -0.04 6.97 7.09 2rc5A1 GLN 308 HE22 0.02 0.35 -0.04 -0.04 7.69 7.97 2rc5A1 LEU 309 H -0.50 0.19 -0.04 -0.55 8.37 7.47 2rc5A1 LEU 309 HA 0.01 0.31 0.78 -0.75 4.35 4.70 2rc5A1 LEU 309 HB2 -0.01 0.07 -0.19 -0.04 1.64 1.47 2rc5A1 LEU 309 HB3 -0.18 -0.06 -0.19 -0.04 1.64 1.17 2rc5A1 LEU 309 HG -0.04 -0.04 -0.39 -0.04 1.64 1.12 2rc5A1 LEU 309 HD13 0.08 0.01 -0.07 -0.04 0.93 0.91 2rc5A1 LEU 309 HD23 -0.07 -0.01 -0.06 -0.04 0.89 0.70 2rc5A1 PHE 310 H 0.02 0.57 0.26 -0.55 8.34 8.64 2rc5A1 PHE 310 HA -0.02 0.10 0.79 -0.75 4.62 4.73 2rc5A1 PHE 310 HB2 -0.91 -0.03 0.08 -0.04 3.15 2.25 2rc5A1 PHE 310 HB3 -0.35 -0.08 -0.04 -0.04 3.06 2.55 2rc5A1 PHE 310 HD2 -0.46 0.00 -0.26 -0.04 7.28 6.52 2rc5A1 PHE 310 HE2 -0.10 0.12 -0.16 -0.04 7.38 7.20 2rc5A1 PHE 310 HZ 0.02 0.08 -0.04 -0.04 7.32 7.33 2rc5A1 VAL 311 H 0.28 0.26 0.17 -0.55 8.24 8.40 2rc5A1 VAL 311 HA 0.44 0.30 1.15 -0.75 4.13 5.26 2rc5A1 VAL 311 HB 0.14 0.02 -0.13 -0.04 2.12 2.11 2rc5A1 VAL 311 HG13 0.12 -0.02 -0.05 -0.04 0.97 0.98 2rc5A1 VAL 311 HG23 0.17 -0.04 0.00 -0.04 0.95 1.04 2rc5A1 GLU 312 H 0.29 0.89 0.33 -0.55 8.60 9.56 2rc5A1 GLU 312 HA 0.07 0.14 0.60 -0.75 4.29 4.34 2rc5A1 GLU 312 HB2 -0.50 0.07 0.01 -0.04 2.09 1.63 2rc5A1 GLU 312 HB3 -0.51 -0.05 0.28 -0.04 1.99 1.67 2rc5A1 GLU 312 HG2 -0.23 0.03 0.03 -0.04 2.34 2.13 2rc5A1 GLU 312 HG3 0.01 -0.06 -0.06 -0.04 2.34 2.18 2rc5A1 THR 313 H 0.07 0.16 0.07 -0.55 8.28 8.04 2rc5A1 THR 313 HA -0.16 0.23 1.17 -0.75 4.39 4.87 2rc5A1 THR 313 HB -0.07 0.11 0.12 -0.04 4.32 4.43 2rc5A1 THR 313 HG23 0.04 -0.04 -0.19 -0.04 1.22 0.99 2rc5A1 TYR 314 H -0.42 0.55 0.17 -0.55 8.29 8.04 2rc5A1 TYR 314 HA -0.01 0.14 0.49 -0.75 4.56 4.42 2rc5A1 TYR 314 HB2 -0.05 0.03 0.05 -0.04 3.06 3.05 2rc5A1 TYR 314 HB3 -0.05 0.15 -0.23 -0.04 2.98 2.81 2rc5A1 TYR 314 HD2 -0.04 0.02 -0.18 -0.04 7.15 6.92 2rc5A1 TYR 314 HE2 -0.03 0.02 0.01 -0.04 6.85 6.82