============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 5 1.000 28.901 26.208 66.663 -99.200 -91.000 PHE 26 1.000 26.676 34.469 69.551 -99.200 -91.000 HIS 28 0.900 25.579 30.109 60.043 -99.200 -91.000 TYR 52 0.840 43.622 33.708 43.295 -99.200 -91.000 PHE 72 1.000 34.190 40.565 62.989 -99.200 -91.000 HIS 75 0.900 26.358 42.302 66.477 -99.200 -91.000 PHE 80 1.000 34.630 33.772 62.282 -99.200 -91.000 PHE 83 1.000 37.906 30.679 57.901 -99.200 -91.000 HIS 106 0.900 34.382 29.705 75.586 -99.200 -91.000 PHE 110 1.000 28.781 21.158 67.539 -99.200 -91.000 TYR 134 0.840 9.934 11.186 51.909 -99.200 -91.000 HIS 135 0.900 17.469 7.927 58.576 -99.200 -91.000 TYR 138 0.840 17.276 8.151 62.598 -99.200 -91.000 TYR 165 0.840 35.876 16.477 60.505 -99.200 -91.000 TYR 175 0.840 46.513 27.619 66.122 -99.200 -91.000 TYR 176 0.840 41.237 27.017 67.047 -99.200 -91.000 TYR 195 0.840 20.138 25.794 71.693 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rh5B1 MET 1 HA 0.13 -0.08 0.29 -0.75 4.52 4.10 2rh5B1 MET 1 HB2 0.39 -0.01 0.02 -0.04 2.15 2.50 2rh5B1 MET 1 HB3 0.31 -0.04 -0.15 -0.04 2.03 2.10 2rh5B1 MET 1 HG2 0.13 -0.01 0.08 -0.04 2.63 2.79 2rh5B1 MET 1 HG3 0.16 0.02 0.02 -0.04 2.56 2.72 2rh5B1 MET 1 HE3 0.17 0.02 0.02 -0.04 2.10 2.26 2rh5B1 ILE 2 H 0.14 0.10 0.26 -0.55 8.25 8.19 2rh5B1 ILE 2 HA 0.15 0.28 1.11 -0.75 4.18 4.97 2rh5B1 ILE 2 HB 0.15 0.15 0.38 -0.04 1.89 2.53 2rh5B1 ILE 2 HG12 0.29 -0.08 -0.01 -0.04 1.49 1.65 2rh5B1 ILE 2 HG13 0.17 0.18 -0.29 -0.04 1.21 1.22 2rh5B1 ILE 2 HG23 0.32 -0.05 -0.13 -0.04 0.93 1.04 2rh5B1 ILE 2 HD13 0.18 -0.01 -0.00 -0.04 0.88 1.01 2rh5B1 LEU 3 H 0.11 0.49 0.33 -0.55 8.37 8.76 2rh5B1 LEU 3 HA 0.14 0.34 1.08 -0.75 4.35 5.17 2rh5B1 LEU 3 HB2 0.03 -0.06 0.07 -0.04 1.64 1.65 2rh5B1 LEU 3 HB3 0.25 -0.02 0.00 -0.04 1.64 1.83 2rh5B1 LEU 3 HG 0.10 0.00 -0.47 -0.04 1.64 1.23 2rh5B1 LEU 3 HD13 -0.12 -0.00 -0.13 -0.04 0.93 0.63 2rh5B1 LEU 3 HD23 0.19 -0.00 -0.03 -0.04 0.89 1.01 2rh5B1 VAL 4 H 0.15 0.53 0.43 -0.55 8.24 8.79 2rh5B1 VAL 4 HA 0.33 0.22 1.10 -0.75 4.13 5.02 2rh5B1 VAL 4 HB -0.06 -0.06 0.15 -0.04 2.12 2.11 2rh5B1 VAL 4 HG13 0.14 0.04 -0.18 -0.04 0.97 0.92 2rh5B1 VAL 4 HG23 0.09 0.00 -0.06 -0.04 0.95 0.94 2rh5B1 PHE 5 H 0.42 0.76 0.38 -0.55 8.34 9.34 2rh5B1 PHE 5 HA 0.24 0.25 1.01 -0.75 4.62 5.36 2rh5B1 PHE 5 HB2 0.14 0.07 0.15 -0.04 3.15 3.46 2rh5B1 PHE 5 HB3 0.09 -0.11 -0.04 -0.04 3.06 2.95 2rh5B1 PHE 5 HD2 0.00 -0.07 -0.38 -0.04 7.28 6.79 2rh5B1 PHE 5 HE2 0.04 -0.01 -0.10 -0.04 7.38 7.27 2rh5B1 PHE 5 HZ 0.08 0.03 -0.13 -0.04 7.32 7.26 2rh5B1 LEU 6 H 0.23 0.77 0.32 -0.55 8.37 9.15 2rh5B1 LEU 6 HA 0.23 0.13 0.98 -0.75 4.35 4.94 2rh5B1 LEU 6 HB2 0.18 -0.02 0.01 -0.04 1.64 1.77 2rh5B1 LEU 6 HB3 0.22 -0.02 -0.01 -0.04 1.64 1.78 2rh5B1 LEU 6 HG 0.17 -0.04 -0.56 -0.04 1.64 1.18 2rh5B1 LEU 6 HD13 0.19 -0.00 -0.23 -0.04 0.93 0.84 2rh5B1 LEU 6 HD23 0.16 0.02 -0.19 -0.04 0.89 0.84 2rh5B1 GLY 7 H 0.24 0.29 0.16 -0.55 8.43 8.57 2rh5B1 GLY 7 HA2 0.16 0.15 0.54 -0.51 4.01 4.35 2rh5B1 GLY 7 HA3 0.05 -0.01 0.36 -0.51 4.01 3.90 2rh5B1 PRO 8 HA -1.30 0.11 0.60 -0.51 4.44 3.34 2rh5B1 PRO 8 HB2 -0.30 0.14 0.05 -0.04 2.28 2.14 2rh5B1 PRO 8 HB3 -0.74 -0.01 0.14 -0.04 2.02 1.37 2rh5B1 PRO 8 HG2 -0.13 0.01 0.01 -0.04 2.03 1.89 2rh5B1 PRO 8 HG3 -0.08 0.04 0.11 -0.04 2.03 2.05 2rh5B1 PRO 8 HD2 -0.02 0.31 0.33 -0.04 3.68 4.27 2rh5B1 PRO 8 HD3 -0.05 0.09 0.16 -0.04 3.65 3.81 2rh5B1 PRO 9 HA -0.07 -0.04 0.52 -0.51 4.44 4.34 2rh5B1 PRO 9 HB2 -0.05 0.04 0.00 -0.04 2.28 2.24 2rh5B1 PRO 9 HB3 -0.03 0.04 0.08 -0.04 2.02 2.07 2rh5B1 PRO 9 HG2 -0.03 0.06 0.02 -0.04 2.03 2.05 2rh5B1 PRO 9 HG3 -0.03 0.05 0.10 -0.04 2.03 2.11 2rh5B1 PRO 9 HD2 -0.26 0.09 0.23 -0.04 3.68 3.71 2rh5B1 PRO 9 HD3 -0.20 0.17 0.21 -0.04 3.65 3.78 2rh5B1 GLY 10 H -0.04 0.07 0.17 -0.55 8.43 8.08 2rh5B1 GLY 10 HA2 -0.01 0.01 0.31 -0.51 4.01 3.81 2rh5B1 GLY 10 HA3 -0.01 0.15 0.31 -0.51 4.01 3.95 2rh5B1 ALA 11 H -0.07 0.35 -0.33 -0.55 8.40 7.80 2rh5B1 ALA 11 HA -0.00 0.20 0.57 -0.75 4.34 4.35 2rh5B1 ALA 11 HB3 -0.02 -0.01 -0.00 -0.04 1.41 1.34 2rh5B1 GLY 12 H -0.07 -0.03 -0.18 -0.55 8.43 7.60 2rh5B1 GLY 12 HA2 -0.06 -0.03 0.22 -0.51 4.01 3.62 2rh5B1 GLY 12 HA3 -0.05 0.24 0.34 -0.51 4.01 4.02 2rh5B1 LYS 13 H -0.23 0.09 -0.19 -0.55 8.42 7.54 2rh5B1 LYS 13 HA -0.69 0.17 0.29 -0.75 4.32 3.34 2rh5B1 LYS 13 HB2 -0.45 0.05 -0.10 -0.04 1.87 1.33 2rh5B1 LYS 13 HB3 -0.87 0.10 -0.11 -0.04 1.79 0.87 2rh5B1 LYS 13 HG2 -0.12 -0.05 -0.07 -0.04 1.46 1.17 2rh5B1 LYS 13 HG3 -0.02 -0.02 -0.21 -0.04 1.46 1.17 2rh5B1 LYS 13 HD2 0.10 -0.00 -0.40 -0.04 1.69 1.34 2rh5B1 LYS 13 HD3 0.00 0.03 -0.31 -0.04 1.68 1.37 2rh5B1 LYS 13 HE2 0.13 -0.06 -0.16 -0.04 2.99 2.85 2rh5B1 LYS 13 HE3 0.15 0.05 -0.02 -0.04 2.99 3.13 2rh5B1 GLY 14 H -0.07 0.05 -0.19 -0.55 8.43 7.68 2rh5B1 GLY 14 HA2 -0.03 0.10 0.39 -0.51 4.01 3.96 2rh5B1 GLY 14 HA3 -0.03 0.07 0.19 -0.51 4.01 3.74 2rh5B1 THR 15 H -0.06 0.09 -0.37 -0.55 8.28 7.38 2rh5B1 THR 15 HA -0.07 0.07 0.36 -0.75 4.39 3.99 2rh5B1 THR 15 HB -0.04 0.18 0.05 -0.04 4.32 4.47 2rh5B1 THR 15 HG23 -0.05 0.01 -0.05 -0.04 1.22 1.08 2rh5B1 GLN 16 H -0.01 0.31 -0.25 -0.55 8.47 7.97 2rh5B1 GLN 16 HA 0.11 0.06 0.41 -0.75 4.36 4.18 2rh5B1 GLN 16 HB2 0.26 0.10 0.12 -0.04 2.15 2.60 2rh5B1 GLN 16 HB3 0.39 0.01 -0.03 -0.04 2.02 2.34 2rh5B1 GLN 16 HG2 0.03 0.18 -0.01 -0.04 2.40 2.57 2rh5B1 GLN 16 HG3 0.32 0.01 -0.11 -0.04 2.39 2.57 2rh5B1 GLN 16 HE21 0.08 0.02 -0.05 -0.04 6.97 6.98 2rh5B1 GLN 16 HE22 0.07 0.07 -0.05 -0.04 7.69 7.73 2rh5B1 ALA 17 H 0.00 0.53 -0.07 -0.55 8.40 8.31 2rh5B1 ALA 17 HA -0.28 0.04 0.31 -0.75 4.34 3.65 2rh5B1 ALA 17 HB3 -0.43 0.01 0.02 -0.04 1.41 0.97 2rh5B1 LYS 18 H -0.28 0.59 -0.18 -0.55 8.42 8.00 2rh5B1 LYS 18 HA -0.31 0.02 0.47 -0.75 4.32 3.75 2rh5B1 LYS 18 HB2 -0.17 0.11 0.11 -0.04 1.87 1.87 2rh5B1 LYS 18 HB3 -0.13 -0.01 -0.02 -0.04 1.79 1.60 2rh5B1 LYS 18 HG2 -0.21 -0.00 0.03 -0.04 1.46 1.24 2rh5B1 LYS 18 HG3 -0.49 -0.02 0.01 -0.04 1.46 0.91 2rh5B1 LYS 18 HD2 -0.09 -0.02 -0.08 -0.04 1.69 1.46 2rh5B1 LYS 18 HD3 -0.07 0.02 -0.03 -0.04 1.68 1.56 2rh5B1 LYS 18 HE2 0.03 0.01 -0.03 -0.04 2.99 2.96 2rh5B1 LYS 18 HE3 0.01 -0.06 -0.06 -0.04 2.99 2.84 2rh5B1 ARG 19 H -0.09 0.40 -0.35 -0.55 8.46 7.87 2rh5B1 ARG 19 HA -0.08 0.05 0.54 -0.75 4.34 4.10 2rh5B1 ARG 19 HB2 -0.12 0.05 0.12 -0.04 1.90 1.90 2rh5B1 ARG 19 HB3 -0.08 0.14 0.18 -0.04 1.80 1.99 2rh5B1 ARG 19 HG2 -0.27 -0.01 -0.17 -0.04 1.67 1.18 2rh5B1 ARG 19 HG3 -0.20 -0.03 0.02 -0.04 1.67 1.42 2rh5B1 ARG 19 HD2 -0.33 -0.03 -0.04 -0.04 3.22 2.78 2rh5B1 ARG 19 HD3 -0.74 0.00 -0.03 -0.04 3.22 2.41 2rh5B1 LEU 20 H 0.03 0.56 0.01 -0.55 8.37 8.42 2rh5B1 LEU 20 HA 0.18 0.03 0.44 -0.75 4.35 4.25 2rh5B1 LEU 20 HB2 0.17 0.01 0.04 -0.04 1.64 1.83 2rh5B1 LEU 20 HB3 -0.05 0.06 0.04 -0.04 1.64 1.65 2rh5B1 LEU 20 HG -0.17 0.02 -0.19 -0.04 1.64 1.27 2rh5B1 LEU 20 HD13 0.17 -0.01 0.01 -0.04 0.93 1.06 2rh5B1 LEU 20 HD23 -0.14 -0.00 -0.11 -0.04 0.89 0.59 2rh5B1 ALA 21 H -0.02 0.41 -0.30 -0.55 8.40 7.94 2rh5B1 ALA 21 HA 0.16 -0.08 0.51 -0.75 4.34 4.18 2rh5B1 ALA 21 HB3 0.02 0.04 0.09 -0.04 1.41 1.51 2rh5B1 LYS 22 H -0.00 0.34 -0.16 -0.55 8.42 8.04 2rh5B1 LYS 22 HA 0.00 0.06 0.44 -0.75 4.32 4.07 2rh5B1 LYS 22 HB2 -0.02 0.01 0.14 -0.04 1.87 1.95 2rh5B1 LYS 22 HB3 -0.03 0.06 0.13 -0.04 1.79 1.91 2rh5B1 LYS 22 HG2 -0.02 0.00 -0.04 -0.04 1.46 1.36 2rh5B1 LYS 22 HG3 -0.01 -0.01 0.12 -0.04 1.46 1.51 2rh5B1 LYS 22 HD2 -0.03 -0.00 0.02 -0.04 1.69 1.63 2rh5B1 LYS 22 HD3 -0.02 -0.03 0.01 -0.04 1.68 1.59 2rh5B1 LYS 22 HE2 -0.01 -0.01 0.02 -0.04 2.99 2.94 2rh5B1 LYS 22 HE3 -0.02 0.03 0.03 -0.04 2.99 2.99 2rh5B1 GLU 23 H 0.04 0.21 -0.41 -0.55 8.60 7.90 2rh5B1 GLU 23 HA 0.02 0.12 0.78 -0.75 4.29 4.46 2rh5B1 GLU 23 HB2 0.10 0.04 0.16 -0.04 2.09 2.35 2rh5B1 GLU 23 HB3 0.08 -0.03 -0.03 -0.04 1.99 1.98 2rh5B1 GLU 23 HG2 0.00 -0.02 -0.01 -0.04 2.34 2.27 2rh5B1 GLU 23 HG3 -0.02 0.07 -0.00 -0.04 2.34 2.35 2rh5B1 LYS 24 H 0.13 0.56 0.03 -0.55 8.42 8.59 2rh5B1 LYS 24 HA 0.04 0.18 0.72 -0.75 4.32 4.50 2rh5B1 LYS 24 HB2 0.30 0.05 0.12 -0.04 1.87 2.30 2rh5B1 LYS 24 HB3 0.12 0.01 0.14 -0.04 1.79 2.02 2rh5B1 LYS 24 HG2 0.10 -0.00 -0.31 -0.04 1.46 1.21 2rh5B1 LYS 24 HG3 0.17 -0.04 -0.02 -0.04 1.46 1.53 2rh5B1 LYS 24 HD2 0.13 0.00 -0.01 -0.04 1.69 1.76 2rh5B1 LYS 24 HD3 0.08 0.03 -0.01 -0.04 1.68 1.73 2rh5B1 LYS 24 HE2 0.08 0.00 -0.06 -0.04 2.99 2.97 2rh5B1 LYS 24 HE3 0.10 -0.04 -0.04 -0.04 2.99 2.98 2rh5B1 GLY 25 H 0.02 0.20 -0.40 -0.55 8.43 7.70 2rh5B1 GLY 25 HA2 -0.04 0.08 0.29 -0.51 4.01 3.83 2rh5B1 GLY 25 HA3 -0.13 -0.04 0.24 -0.51 4.01 3.57 2rh5B1 PHE 26 H 0.20 0.07 -0.11 -0.55 8.34 7.96 2rh5B1 PHE 26 HA 0.00 0.27 0.81 -0.75 4.62 4.94 2rh5B1 PHE 26 HB2 -0.02 -0.09 -0.21 -0.04 3.15 2.78 2rh5B1 PHE 26 HB3 -0.05 -0.10 -0.29 -0.04 3.06 2.58 2rh5B1 PHE 26 HD2 -0.02 -0.02 -0.46 -0.04 7.28 6.74 2rh5B1 PHE 26 HE2 0.02 0.11 -0.11 -0.04 7.38 7.37 2rh5B1 PHE 26 HZ 0.04 -0.01 -0.09 -0.04 7.32 7.22 2rh5B1 VAL 27 H 0.09 0.96 0.37 -0.55 8.24 9.11 2rh5B1 VAL 27 HA 0.04 0.11 0.88 -0.75 4.13 4.40 2rh5B1 VAL 27 HB -0.16 -0.03 0.15 -0.04 2.12 2.04 2rh5B1 VAL 27 HG13 -0.08 0.01 -0.08 -0.04 0.97 0.77 2rh5B1 VAL 27 HG23 0.03 0.02 0.00 -0.04 0.95 0.96 2rh5B1 HIS 28 H 0.10 0.22 0.07 -0.55 8.41 8.26 2rh5B1 HIS 28 HA -0.13 0.09 0.63 -0.75 4.63 4.47 2rh5B1 HIS 28 HB2 -0.07 0.07 -0.01 -0.04 3.26 3.21 2rh5B1 HIS 28 HB3 -0.05 -0.00 0.12 -0.04 3.20 3.23 2rh5B1 HIS 28 HD2 -0.18 0.04 -0.08 -0.04 6.97 6.70 2rh5B1 HIS 28 HE1 -0.03 -0.05 -0.10 -0.04 7.75 7.52 2rh5B1 ILE 29 H -0.26 0.73 0.41 -0.55 8.25 8.58 2rh5B1 ILE 29 HA -0.21 0.14 0.91 -0.75 4.18 4.27 2rh5B1 ILE 29 HB -0.22 0.04 0.09 -0.04 1.89 1.75 2rh5B1 ILE 29 HG12 -0.11 0.03 -0.13 -0.04 1.49 1.24 2rh5B1 ILE 29 HG13 -0.23 0.13 -0.34 -0.04 1.21 0.73 2rh5B1 ILE 29 HG23 0.13 -0.04 -0.21 -0.04 0.93 0.76 2rh5B1 ILE 29 HD13 -0.18 0.00 -0.10 -0.04 0.88 0.56 2rh5B1 SER 30 H -0.18 0.27 0.15 -0.55 8.46 8.16 2rh5B1 SER 30 HA -0.04 0.26 0.79 -0.75 4.49 4.74 2rh5B1 SER 30 HB2 -0.11 0.14 0.06 -0.04 3.95 4.00 2rh5B1 SER 30 HB3 -0.14 0.02 0.05 -0.04 3.93 3.82 2rh5B1 THR 31 H -0.02 0.28 0.05 -0.55 8.28 8.04 2rh5B1 THR 31 HA -0.13 0.09 0.36 -0.75 4.39 3.96 2rh5B1 THR 31 HB -0.01 0.01 0.11 -0.04 4.32 4.39 2rh5B1 THR 31 HG23 -0.06 0.01 -0.14 -0.04 1.22 1.00 2rh5B1 GLY 32 H -0.00 0.13 -0.08 -0.55 8.43 7.94 2rh5B1 GLY 32 HA2 -0.00 0.07 0.33 -0.51 4.01 3.89 2rh5B1 GLY 32 HA3 0.00 0.06 0.25 -0.51 4.01 3.82 2rh5B1 ASP 33 H -0.02 0.06 -0.32 -0.55 8.40 7.57 2rh5B1 ASP 33 HA -0.01 0.03 0.36 -0.75 4.63 4.26 2rh5B1 ASP 33 HB2 -0.05 0.07 0.16 -0.04 2.71 2.84 2rh5B1 ASP 33 HB3 -0.03 0.06 0.01 -0.04 2.70 2.71 2rh5B1 ILE 34 H -0.04 0.45 -0.01 -0.55 8.25 8.09 2rh5B1 ILE 34 HA -0.02 0.03 0.28 -0.75 4.18 3.71 2rh5B1 ILE 34 HB -0.06 0.01 0.13 -0.04 1.89 1.93 2rh5B1 ILE 34 HG12 -0.03 0.06 -0.01 -0.04 1.49 1.48 2rh5B1 ILE 34 HG13 -0.05 0.00 0.08 -0.04 1.21 1.20 2rh5B1 ILE 34 HG23 -0.03 -0.00 -0.22 -0.04 0.93 0.64 2rh5B1 ILE 34 HD13 -0.04 -0.01 -0.16 -0.04 0.88 0.62 2rh5B1 LEU 35 H -0.03 0.60 -0.07 -0.55 8.37 8.32 2rh5B1 LEU 35 HA -0.01 -0.04 0.37 -0.75 4.35 3.91 2rh5B1 LEU 35 HB2 -0.02 0.15 0.05 -0.04 1.64 1.77 2rh5B1 LEU 35 HB3 -0.01 0.06 0.02 -0.04 1.64 1.67 2rh5B1 LEU 35 HG 0.00 0.02 -0.06 -0.04 1.64 1.55 2rh5B1 LEU 35 HD13 -0.02 -0.02 -0.04 -0.04 0.93 0.82 2rh5B1 LEU 35 HD23 -0.01 -0.02 -0.08 -0.04 0.89 0.74 2rh5B1 ARG 36 H -0.01 0.69 -0.06 -0.55 8.46 8.53 2rh5B1 ARG 36 HA 0.00 -0.02 0.33 -0.75 4.34 3.89 2rh5B1 ARG 36 HB2 0.00 -0.04 0.10 -0.04 1.90 1.92 2rh5B1 ARG 36 HB3 -0.00 0.13 0.23 -0.04 1.80 2.11 2rh5B1 ARG 36 HG2 -0.00 0.01 -0.16 -0.04 1.67 1.49 2rh5B1 ARG 36 HG3 0.00 -0.04 -0.04 -0.04 1.67 1.55 2rh5B1 ARG 36 HD2 0.00 0.00 -0.03 -0.04 3.22 3.15 2rh5B1 ARG 36 HD3 0.00 -0.01 -0.02 -0.04 3.22 3.15 2rh5B1 GLU 37 H -0.01 0.59 -0.01 -0.55 8.60 8.63 2rh5B1 GLU 37 HA -0.00 -0.02 0.39 -0.75 4.29 3.91 2rh5B1 GLU 37 HB2 -0.01 0.13 0.13 -0.04 2.09 2.31 2rh5B1 GLU 37 HB3 -0.00 -0.02 -0.01 -0.04 1.99 1.92 2rh5B1 GLU 37 HG2 -0.00 -0.02 0.04 -0.04 2.34 2.31 2rh5B1 GLU 37 HG3 -0.00 -0.02 0.04 -0.04 2.34 2.32 2rh5B1 ALA 38 H -0.00 0.70 -0.03 -0.55 8.40 8.52 2rh5B1 ALA 38 HA 0.00 -0.03 0.44 -0.75 4.34 4.00 2rh5B1 ALA 38 HB3 -0.00 -0.01 0.06 -0.04 1.41 1.42 2rh5B1 VAL 39 H 0.00 0.64 -0.08 -0.55 8.24 8.25 2rh5B1 VAL 39 HA 0.01 0.02 0.55 -0.75 4.13 3.95 2rh5B1 VAL 39 HB 0.01 0.16 0.15 -0.04 2.12 2.39 2rh5B1 VAL 39 HG13 0.01 -0.02 -0.12 -0.04 0.97 0.80 2rh5B1 VAL 39 HG23 0.01 0.01 0.01 -0.04 0.95 0.95 2rh5B1 GLN 40 H 0.00 0.57 0.05 -0.55 8.47 8.55 2rh5B1 GLN 40 HA 0.00 0.04 0.42 -0.75 4.36 4.07 2rh5B1 GLN 40 HB2 0.00 -0.02 0.14 -0.04 2.15 2.23 2rh5B1 GLN 40 HB3 0.00 -0.04 0.02 -0.04 2.02 1.96 2rh5B1 GLN 40 HG2 0.00 -0.04 0.00 -0.04 2.40 2.32 2rh5B1 GLN 40 HG3 0.00 0.26 0.09 -0.04 2.39 2.70 2rh5B1 GLN 40 HE21 0.00 -0.03 -0.02 -0.04 6.97 6.88 2rh5B1 GLN 40 HE22 0.00 -0.00 -0.01 -0.04 7.69 7.63 2rh5B1 LYS 41 H 0.00 0.81 0.13 -0.55 8.42 8.82 2rh5B1 LYS 41 HA 0.00 0.05 0.55 -0.75 4.32 4.17 2rh5B1 LYS 41 HB2 0.00 0.01 0.06 -0.04 1.87 1.91 2rh5B1 LYS 41 HB3 0.00 -0.05 0.06 -0.04 1.79 1.75 2rh5B1 LYS 41 HG2 0.00 -0.02 0.02 -0.04 1.46 1.42 2rh5B1 LYS 41 HG3 0.00 0.04 0.12 -0.04 1.46 1.58 2rh5B1 LYS 41 HD2 -0.00 -0.02 -0.04 -0.04 1.69 1.59 2rh5B1 LYS 41 HD3 0.00 -0.01 -0.00 -0.04 1.68 1.63 2rh5B1 LYS 41 HE2 0.00 0.00 -0.00 -0.04 2.99 2.95 2rh5B1 LYS 41 HE3 -0.00 -0.03 0.00 -0.04 2.99 2.92 2rh5B1 GLY 42 H 0.00 0.21 -0.44 -0.55 8.43 7.65 2rh5B1 GLY 42 HA2 0.00 0.09 0.19 -0.51 4.01 3.79 2rh5B1 GLY 42 HA3 0.00 0.07 0.19 -0.51 4.01 3.76 2rh5B1 THR 43 H 0.01 0.21 0.13 -0.55 8.28 8.08 2rh5B1 THR 43 HA 0.01 0.19 0.35 -0.75 4.39 4.18 2rh5B1 THR 43 HB 0.01 0.04 0.19 -0.04 4.32 4.51 2rh5B1 THR 43 HG23 0.00 0.04 0.01 -0.04 1.22 1.24 2rh5B1 PRO 44 HA 0.01 0.15 0.61 -0.51 4.44 4.70 2rh5B1 PRO 44 HB2 0.01 0.03 -0.01 -0.04 2.28 2.27 2rh5B1 PRO 44 HB3 0.01 0.08 0.13 -0.04 2.02 2.20 2rh5B1 PRO 44 HG2 0.01 -0.03 0.12 -0.04 2.03 2.09 2rh5B1 PRO 44 HG3 0.01 0.11 0.10 -0.04 2.03 2.20 2rh5B1 PRO 44 HD2 0.01 0.10 0.25 -0.04 3.68 4.00 2rh5B1 PRO 44 HD3 0.01 0.22 0.18 -0.04 3.65 4.01 2rh5B1 LEU 45 H 0.01 0.18 -0.06 -0.55 8.37 7.95 2rh5B1 LEU 45 HA 0.02 0.10 0.56 -0.75 4.35 4.28 2rh5B1 LEU 45 HB2 0.01 0.02 -0.01 -0.04 1.64 1.62 2rh5B1 LEU 45 HB3 0.01 0.02 -0.04 -0.04 1.64 1.59 2rh5B1 LEU 45 HG 0.01 -0.02 -0.01 -0.04 1.64 1.58 2rh5B1 LEU 45 HD13 0.01 0.02 -0.17 -0.04 0.93 0.74 2rh5B1 LEU 45 HD23 0.01 0.01 -0.04 -0.04 0.89 0.82 2rh5B1 GLY 46 H 0.01 0.01 -0.38 -0.55 8.43 7.52 2rh5B1 GLY 46 HA2 0.01 -0.01 0.19 -0.51 4.01 3.70 2rh5B1 GLY 46 HA3 0.01 0.34 0.09 -0.51 4.01 3.94 2rh5B1 LYS 47 H 0.01 0.51 -0.28 -0.55 8.42 8.11 2rh5B1 LYS 47 HA 0.01 0.07 0.45 -0.75 4.32 4.10 2rh5B1 LYS 47 HB2 0.01 0.07 0.11 -0.04 1.87 2.02 2rh5B1 LYS 47 HB3 0.00 -0.05 -0.02 -0.04 1.79 1.68 2rh5B1 LYS 47 HG2 0.00 -0.03 0.00 -0.04 1.46 1.39 2rh5B1 LYS 47 HG3 0.01 0.26 -0.05 -0.04 1.46 1.64 2rh5B1 LYS 47 HD2 0.00 -0.05 -0.00 -0.04 1.69 1.60 2rh5B1 LYS 47 HD3 0.00 -0.07 -0.00 -0.04 1.68 1.57 2rh5B1 LYS 47 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 2rh5B1 LYS 47 HE3 0.00 0.21 -0.00 -0.04 2.99 3.16 2rh5B1 LYS 48 H 0.03 0.40 -0.20 -0.55 8.42 8.09 2rh5B1 LYS 48 HA 0.04 0.03 0.49 -0.75 4.32 4.13 2rh5B1 LYS 48 HB2 0.05 0.08 0.18 -0.04 1.87 2.14 2rh5B1 LYS 48 HB3 0.12 -0.07 -0.01 -0.04 1.79 1.78 2rh5B1 LYS 48 HG2 0.05 -0.04 0.05 -0.04 1.46 1.48 2rh5B1 LYS 48 HG3 0.03 0.11 0.08 -0.04 1.46 1.64 2rh5B1 LYS 48 HD2 0.03 0.00 -0.05 -0.04 1.69 1.63 2rh5B1 LYS 48 HD3 0.05 -0.06 -0.01 -0.04 1.68 1.63 2rh5B1 LYS 48 HE2 0.04 -0.02 -0.01 -0.04 2.99 2.95 2rh5B1 LYS 48 HE3 0.02 0.02 -0.01 -0.04 2.99 2.98 2rh5B1 ALA 49 H 0.06 0.48 -0.38 -0.55 8.40 8.02 2rh5B1 ALA 49 HA 0.16 -0.03 0.41 -0.75 4.34 4.13 2rh5B1 ALA 49 HB3 0.04 0.03 0.04 -0.04 1.41 1.48 2rh5B1 LYS 50 H 0.04 0.37 -0.27 -0.55 8.42 8.01 2rh5B1 LYS 50 HA 0.04 -0.02 0.29 -0.75 4.32 3.87 2rh5B1 LYS 50 HB2 0.02 0.17 0.18 -0.04 1.87 2.20 2rh5B1 LYS 50 HB3 0.01 0.06 0.04 -0.04 1.79 1.86 2rh5B1 LYS 50 HG2 0.01 -0.08 0.06 -0.04 1.46 1.41 2rh5B1 LYS 50 HG3 0.01 0.00 0.02 -0.04 1.46 1.46 2rh5B1 LYS 50 HD2 0.00 -0.01 -0.04 -0.04 1.69 1.60 2rh5B1 LYS 50 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 2rh5B1 LYS 50 HE2 0.01 0.06 -0.01 -0.04 2.99 3.01 2rh5B1 LYS 50 HE3 0.01 0.01 -0.00 -0.04 2.99 2.96 2rh5B1 GLU 51 H 0.01 0.39 -0.31 -0.55 8.60 8.15 2rh5B1 GLU 51 HA -0.06 0.03 0.40 -0.75 4.29 3.90 2rh5B1 GLU 51 HB2 -0.17 0.18 0.15 -0.04 2.09 2.21 2rh5B1 GLU 51 HB3 -0.28 -0.04 -0.02 -0.04 1.99 1.61 2rh5B1 GLU 51 HG2 -0.08 -0.03 0.03 -0.04 2.34 2.22 2rh5B1 GLU 51 HG3 -0.05 0.14 0.06 -0.04 2.34 2.45 2rh5B1 TYR 52 H 0.04 0.30 -0.14 -0.55 8.29 7.94 2rh5B1 TYR 52 HA 0.00 -0.01 0.34 -0.75 4.56 4.14 2rh5B1 TYR 52 HB2 0.00 0.12 0.08 -0.04 3.06 3.22 2rh5B1 TYR 52 HB3 0.00 0.09 -0.24 -0.04 2.98 2.80 2rh5B1 TYR 52 HD2 0.00 0.11 0.05 -0.04 7.15 7.27 2rh5B1 TYR 52 HE2 0.00 -0.02 0.01 -0.04 6.85 6.79 2rh5B1 MET 53 H 0.10 0.39 -0.23 -0.55 8.47 8.19 2rh5B1 MET 53 HA 0.06 0.05 0.41 -0.75 4.52 4.29 2rh5B1 MET 53 HB2 0.04 0.09 0.12 -0.04 2.15 2.36 2rh5B1 MET 53 HB3 0.03 -0.04 0.02 -0.04 2.03 2.00 2rh5B1 MET 53 HG2 0.04 -0.05 -0.01 -0.04 2.63 2.57 2rh5B1 MET 53 HG3 0.07 0.05 0.01 -0.04 2.56 2.66 2rh5B1 MET 53 HE3 0.02 -0.01 -0.06 -0.04 2.10 2.01 2rh5B1 GLU 54 H 0.02 0.59 -0.09 -0.55 8.60 8.57 2rh5B1 GLU 54 HA 0.01 0.01 0.46 -0.75 4.29 4.01 2rh5B1 GLU 54 HB2 -0.01 0.19 0.18 -0.04 2.09 2.40 2rh5B1 GLU 54 HB3 -0.01 -0.06 0.02 -0.04 1.99 1.89 2rh5B1 GLU 54 HG2 0.00 -0.06 0.05 -0.04 2.34 2.29 2rh5B1 GLU 54 HG3 0.00 0.03 0.06 -0.04 2.34 2.39 2rh5B1 ARG 55 H 0.00 0.36 -0.25 -0.55 8.46 8.01 2rh5B1 ARG 55 HA -0.00 0.08 0.66 -0.75 4.34 4.32 2rh5B1 ARG 55 HB2 0.01 0.04 0.04 -0.04 1.90 1.95 2rh5B1 ARG 55 HB3 -0.00 -0.06 0.09 -0.04 1.80 1.79 2rh5B1 ARG 55 HG2 -0.04 -0.03 -0.01 -0.04 1.67 1.55 2rh5B1 ARG 55 HG3 -0.08 0.23 -0.01 -0.04 1.67 1.78 2rh5B1 ARG 55 HD2 -0.06 -0.03 -0.03 -0.04 3.22 3.06 2rh5B1 ARG 55 HD3 -0.05 -0.03 -0.02 -0.04 3.22 3.08 2rh5B1 GLY 56 H 0.03 0.37 -0.53 -0.55 8.43 7.75 2rh5B1 GLY 56 HA2 0.03 0.05 0.30 -0.51 4.01 3.88 2rh5B1 GLY 56 HA3 0.02 0.00 0.53 -0.51 4.01 4.06 2rh5B1 GLU 57 H 0.08 0.65 0.04 -0.55 8.60 8.83 2rh5B1 GLU 57 HA 0.05 0.12 0.83 -0.75 4.29 4.54 2rh5B1 GLU 57 HB2 0.20 0.03 0.02 -0.04 2.09 2.30 2rh5B1 GLU 57 HB3 0.16 0.03 -0.04 -0.04 1.99 2.10 2rh5B1 GLU 57 HG2 0.06 -0.01 -0.06 -0.04 2.34 2.28 2rh5B1 GLU 57 HG3 0.06 0.10 -0.30 -0.04 2.34 2.16 2rh5B1 LEU 58 H 0.03 0.09 0.09 -0.55 8.37 8.03 2rh5B1 LEU 58 HA 0.01 0.04 0.48 -0.75 4.35 4.12 2rh5B1 LEU 58 HB2 -0.01 -0.02 0.10 -0.04 1.64 1.67 2rh5B1 LEU 58 HB3 -0.03 0.03 -0.14 -0.04 1.64 1.46 2rh5B1 LEU 58 HG 0.00 -0.00 0.02 -0.04 1.64 1.62 2rh5B1 LEU 58 HD13 0.01 0.02 -0.04 -0.04 0.93 0.88 2rh5B1 LEU 58 HD23 -0.00 -0.01 -0.01 -0.04 0.89 0.82 2rh5B1 VAL 59 H -0.03 0.09 0.11 -0.55 8.24 7.85 2rh5B1 VAL 59 HA -0.32 0.15 0.52 -0.75 4.13 3.72 2rh5B1 VAL 59 HB -0.06 -0.08 0.05 -0.04 2.12 1.98 2rh5B1 VAL 59 HG13 -0.09 0.02 -0.08 -0.04 0.97 0.78 2rh5B1 VAL 59 HG23 0.01 0.02 0.04 -0.04 0.95 0.97 2rh5B1 PRO 60 HA -0.15 0.06 0.29 -0.51 4.44 4.12 2rh5B1 PRO 60 HB2 -0.17 -0.18 0.03 -0.04 2.28 1.92 2rh5B1 PRO 60 HB3 -0.14 0.04 0.10 -0.04 2.02 1.98 2rh5B1 PRO 60 HG2 -0.51 0.06 0.07 -0.04 2.03 1.62 2rh5B1 PRO 60 HG3 -0.52 0.12 0.09 -0.04 2.03 1.68 2rh5B1 PRO 60 HD2 -0.63 0.06 0.15 -0.04 3.68 3.22 2rh5B1 PRO 60 HD3 -1.45 0.28 0.27 -0.04 3.65 2.70 2rh5B1 ASP 61 H -0.06 0.17 0.15 -0.55 8.40 8.11 2rh5B1 ASP 61 HA 0.00 0.10 0.41 -0.75 4.63 4.39 2rh5B1 ASP 61 HB2 -0.03 0.00 0.11 -0.04 2.71 2.76 2rh5B1 ASP 61 HB3 0.00 0.05 -0.03 -0.04 2.70 2.68 2rh5B1 ASP 62 H -0.04 0.10 -0.17 -0.55 8.40 7.74 2rh5B1 ASP 62 HA -0.01 0.09 0.28 -0.75 4.63 4.24 2rh5B1 ASP 62 HB2 -0.01 0.08 0.02 -0.04 2.71 2.75 2rh5B1 ASP 62 HB3 -0.02 0.03 0.06 -0.04 2.70 2.73 2rh5B1 LEU 63 H -0.06 0.11 -0.34 -0.55 8.37 7.53 2rh5B1 LEU 63 HA -0.02 0.07 0.53 -0.75 4.35 4.18 2rh5B1 LEU 63 HB2 -0.09 0.02 0.03 -0.04 1.64 1.56 2rh5B1 LEU 63 HB3 -0.04 0.04 -0.14 -0.04 1.64 1.45 2rh5B1 LEU 63 HG 0.01 0.02 -0.03 -0.04 1.64 1.60 2rh5B1 LEU 63 HD13 0.01 -0.01 -0.05 -0.04 0.93 0.84 2rh5B1 LEU 63 HD23 0.05 0.01 -0.09 -0.04 0.89 0.82 2rh5B1 ILE 64 H -0.05 0.40 -0.22 -0.55 8.25 7.83 2rh5B1 ILE 64 HA -0.08 0.03 0.36 -0.75 4.18 3.73 2rh5B1 ILE 64 HB -0.03 0.10 0.12 -0.04 1.89 2.05 2rh5B1 ILE 64 HG12 -0.08 -0.03 -0.04 -0.04 1.49 1.29 2rh5B1 ILE 64 HG13 -0.06 0.09 -0.11 -0.04 1.21 1.09 2rh5B1 ILE 64 HG23 -0.32 -0.02 -0.14 -0.04 0.93 0.41 2rh5B1 ILE 64 HD13 -0.01 -0.02 -0.05 -0.04 0.88 0.75 2rh5B1 ILE 65 H -0.02 0.48 -0.16 -0.55 8.25 8.01 2rh5B1 ILE 65 HA -0.01 0.02 0.39 -0.75 4.18 3.83 2rh5B1 ILE 65 HB -0.00 0.13 0.14 -0.04 1.89 2.12 2rh5B1 ILE 65 HG12 0.04 0.13 -0.03 -0.04 1.49 1.59 2rh5B1 ILE 65 HG13 0.02 0.00 -0.10 -0.04 1.21 1.08 2rh5B1 ILE 65 HG23 -0.01 0.01 -0.13 -0.04 0.93 0.76 2rh5B1 ILE 65 HD13 0.08 -0.01 -0.13 -0.04 0.88 0.78 2rh5B1 ALA 66 H -0.01 0.54 -0.06 -0.55 8.40 8.32 2rh5B1 ALA 66 HA -0.00 0.02 0.36 -0.75 4.34 3.96 2rh5B1 ALA 66 HB3 -0.00 0.03 0.09 -0.04 1.41 1.48 2rh5B1 LEU 67 H -0.02 0.49 -0.37 -0.55 8.37 7.92 2rh5B1 LEU 67 HA 0.00 0.00 0.37 -0.75 4.35 3.97 2rh5B1 LEU 67 HB2 -0.04 0.11 0.07 -0.04 1.64 1.74 2rh5B1 LEU 67 HB3 -0.02 -0.05 -0.07 -0.04 1.64 1.45 2rh5B1 LEU 67 HG -0.01 0.15 -0.06 -0.04 1.64 1.67 2rh5B1 LEU 67 HD13 -0.02 -0.02 -0.17 -0.04 0.93 0.67 2rh5B1 LEU 67 HD23 -0.00 -0.02 -0.16 -0.04 0.89 0.66 2rh5B1 ILE 68 H -0.01 0.46 -0.21 -0.55 8.25 7.94 2rh5B1 ILE 68 HA 0.07 -0.01 0.36 -0.75 4.18 3.85 2rh5B1 ILE 68 HB 0.05 0.13 0.23 -0.04 1.89 2.25 2rh5B1 ILE 68 HG12 0.00 -0.07 -0.07 -0.04 1.49 1.31 2rh5B1 ILE 68 HG13 -0.12 0.23 0.02 -0.04 1.21 1.30 2rh5B1 ILE 68 HG23 0.36 -0.01 -0.20 -0.04 0.93 1.03 2rh5B1 ILE 68 HD13 -0.32 -0.05 -0.14 -0.04 0.88 0.34 2rh5B1 GLU 69 H 0.04 0.73 0.03 -0.55 8.60 8.85 2rh5B1 GLU 69 HA 0.05 0.03 0.30 -0.75 4.29 3.91 2rh5B1 GLU 69 HB2 -0.02 -0.02 -0.00 -0.04 2.09 2.01 2rh5B1 GLU 69 HB3 0.00 0.07 -0.00 -0.04 1.99 2.02 2rh5B1 GLU 69 HG2 -0.02 0.01 -0.09 -0.04 2.34 2.20 2rh5B1 GLU 69 HG3 -0.10 0.02 0.01 -0.04 2.34 2.23 2rh5B1 GLU 70 H 0.04 0.25 -0.70 -0.55 8.60 7.65 2rh5B1 GLU 70 HA 0.03 0.03 0.36 -0.75 4.29 3.96 2rh5B1 GLU 70 HB2 0.02 0.17 0.12 -0.04 2.09 2.36 2rh5B1 GLU 70 HB3 0.02 0.09 0.03 -0.04 1.99 2.09 2rh5B1 GLU 70 HG2 0.02 0.02 0.05 -0.04 2.34 2.38 2rh5B1 GLU 70 HG3 0.01 -0.03 0.05 -0.04 2.34 2.33 2rh5B1 VAL 71 H 0.07 0.40 -0.30 -0.55 8.24 7.87 2rh5B1 VAL 71 HA 0.03 0.18 0.85 -0.75 4.13 4.44 2rh5B1 VAL 71 HB -0.01 -0.05 0.15 -0.04 2.12 2.17 2rh5B1 VAL 71 HG13 0.01 -0.03 -0.11 -0.04 0.97 0.80 2rh5B1 VAL 71 HG23 0.02 0.04 0.02 -0.04 0.95 0.99 2rh5B1 PHE 72 H 0.20 0.21 -0.33 -0.55 8.34 7.87 2rh5B1 PHE 72 HA -0.04 0.03 0.51 -0.75 4.62 4.37 2rh5B1 PHE 72 HB2 0.01 -0.03 0.07 -0.04 3.15 3.16 2rh5B1 PHE 72 HB3 -0.01 0.02 -0.04 -0.04 3.06 2.99 2rh5B1 PHE 72 HD2 0.03 0.03 -0.17 -0.04 7.28 7.13 2rh5B1 PHE 72 HE2 0.13 -0.01 -0.07 -0.04 7.38 7.39 2rh5B1 PHE 72 HZ 0.08 0.01 -0.06 -0.04 7.32 7.30 2rh5B1 PRO 73 HA -0.20 0.09 0.50 -0.51 4.44 4.32 2rh5B1 PRO 73 HB2 -1.25 -0.18 0.04 -0.04 2.28 0.85 2rh5B1 PRO 73 HB3 -0.42 0.11 0.10 -0.04 2.02 1.76 2rh5B1 PRO 73 HG2 -0.72 -0.13 0.06 -0.04 2.03 1.19 2rh5B1 PRO 73 HG3 -0.51 0.12 -0.02 -0.04 2.03 1.58 2rh5B1 PRO 73 HD2 -1.84 0.08 0.14 -0.04 3.68 2.02 2rh5B1 PRO 73 HD3 -0.57 0.21 0.19 -0.04 3.65 3.44 2rh5B1 LYS 74 H -0.11 0.12 0.16 -0.55 8.42 8.03 2rh5B1 LYS 74 HA 0.01 0.16 0.44 -0.75 4.32 4.17 2rh5B1 LYS 74 HB2 0.01 -0.07 0.14 -0.04 1.87 1.91 2rh5B1 LYS 74 HB3 0.02 0.03 0.00 -0.04 1.79 1.81 2rh5B1 LYS 74 HG2 0.02 0.07 0.04 -0.04 1.46 1.54 2rh5B1 LYS 74 HG3 0.01 0.00 0.07 -0.04 1.46 1.50 2rh5B1 LYS 74 HD2 0.02 -0.03 0.02 -0.04 1.69 1.66 2rh5B1 LYS 74 HD3 0.02 0.01 0.01 -0.04 1.68 1.69 2rh5B1 LYS 74 HE2 0.02 0.04 0.01 -0.04 2.99 3.01 2rh5B1 LYS 74 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 2rh5B1 HIS 75 H -0.25 -0.01 -0.09 -0.55 8.41 7.51 2rh5B1 HIS 75 HA -0.02 0.13 0.55 -0.75 4.63 4.53 2rh5B1 HIS 75 HB2 -0.08 0.09 0.03 -0.04 3.26 3.26 2rh5B1 HIS 75 HB3 -0.05 -0.03 0.08 -0.04 3.20 3.16 2rh5B1 HIS 75 HD2 -0.06 -0.04 0.06 -0.04 6.97 6.89 2rh5B1 HIS 75 HE1 -0.14 0.11 0.05 -0.04 7.75 7.72 2rh5B1 GLY 76 H -0.60 -0.08 -0.35 -0.55 8.43 6.85 2rh5B1 GLY 76 HA2 -0.34 0.03 0.20 -0.51 4.01 3.38 2rh5B1 GLY 76 HA3 0.04 0.14 0.29 -0.51 4.01 3.96 2rh5B1 ASN 77 H -0.03 -0.05 -0.12 -0.55 8.53 7.79 2rh5B1 ASN 77 HA 0.00 0.51 0.97 -0.75 4.76 5.48 2rh5B1 ASN 77 HB2 -0.04 -0.06 0.23 -0.04 2.88 2.96 2rh5B1 ASN 77 HB3 -0.84 -0.02 0.10 -0.04 2.79 1.99 2rh5B1 ASN 77 HD21 -0.07 0.00 -0.08 -0.04 7.03 6.85 2rh5B1 ASN 77 HD22 0.12 -0.16 -0.09 -0.04 7.74 7.57 2rh5B1 VAL 78 H 0.03 0.48 0.16 -0.55 8.24 8.36 2rh5B1 VAL 78 HA -0.10 0.21 1.04 -0.75 4.13 4.52 2rh5B1 VAL 78 HB -0.78 -0.05 -0.05 -0.04 2.12 1.20 2rh5B1 VAL 78 HG13 -0.66 -0.01 -0.14 -0.04 0.97 0.13 2rh5B1 VAL 78 HG23 -0.12 0.00 0.03 -0.04 0.95 0.82 2rh5B1 ILE 79 H -0.13 0.50 0.14 -0.55 8.25 8.21 2rh5B1 ILE 79 HA -0.16 0.21 0.88 -0.75 4.18 4.37 2rh5B1 ILE 79 HB -0.18 -0.09 0.08 -0.04 1.89 1.66 2rh5B1 ILE 79 HG12 -0.58 0.06 -0.11 -0.04 1.49 0.82 2rh5B1 ILE 79 HG13 -0.38 0.03 -0.33 -0.04 1.21 0.48 2rh5B1 ILE 79 HG23 -0.70 -0.03 -0.27 -0.04 0.93 -0.10 2rh5B1 ILE 79 HD13 -0.45 -0.01 -0.14 -0.04 0.88 0.24 2rh5B1 PHE 80 H 0.10 0.83 0.26 -0.55 8.34 8.98 2rh5B1 PHE 80 HA 0.04 0.10 0.86 -0.75 4.62 4.87 2rh5B1 PHE 80 HB2 0.15 0.09 0.37 -0.04 3.15 3.71 2rh5B1 PHE 80 HB3 0.24 0.06 0.10 -0.04 3.06 3.42 2rh5B1 PHE 80 HD2 0.14 0.01 -0.06 -0.04 7.28 7.32 2rh5B1 PHE 80 HE2 0.17 0.01 -0.10 -0.04 7.38 7.41 2rh5B1 PHE 80 HZ 0.37 0.03 -0.10 -0.04 7.32 7.58 2rh5B1 ASP 81 H 0.09 0.75 0.36 -0.55 8.40 9.05 2rh5B1 ASP 81 HA 0.19 0.07 0.72 -0.75 4.63 4.85 2rh5B1 ASP 81 HB2 0.16 0.02 -0.02 -0.04 2.71 2.83 2rh5B1 ASP 81 HB3 0.01 0.06 0.20 -0.04 2.70 2.93 2rh5B1 GLY 82 H 0.24 0.53 0.32 -0.55 8.43 8.97 2rh5B1 GLY 82 HA2 0.18 0.07 0.39 -0.51 4.01 4.15 2rh5B1 GLY 82 HA3 0.16 -0.00 0.60 -0.51 4.01 4.25 2rh5B1 PHE 83 H 0.29 0.25 -0.24 -0.55 8.34 8.08 2rh5B1 PHE 83 HA 0.04 0.06 0.59 -0.75 4.62 4.56 2rh5B1 PHE 83 HB2 0.05 -0.04 -0.24 -0.04 3.15 2.87 2rh5B1 PHE 83 HB3 0.08 0.01 -0.14 -0.04 3.06 2.97 2rh5B1 PHE 83 HD2 -0.21 0.05 -0.14 -0.04 7.28 6.94 2rh5B1 PHE 83 HE2 -0.18 0.01 -0.07 -0.04 7.38 7.10 2rh5B1 PHE 83 HZ -0.10 -0.00 -0.08 -0.04 7.32 7.10 2rh5B1 PRO 84 HA -1.65 0.03 0.28 -0.51 4.44 2.59 2rh5B1 PRO 84 HB2 -0.38 0.08 -0.03 -0.04 2.28 1.91 2rh5B1 PRO 84 HB3 -0.82 -0.11 -0.04 -0.04 2.02 1.01 2rh5B1 PRO 84 HG2 -0.17 0.04 0.05 -0.04 2.03 1.91 2rh5B1 PRO 84 HG3 -0.57 0.07 -0.06 -0.04 2.03 1.43 2rh5B1 PRO 84 HD2 0.01 0.09 0.04 -0.04 3.68 3.77 2rh5B1 PRO 84 HD3 -0.14 0.25 0.58 -0.04 3.65 4.31 2rh5B1 ARG 85 H -0.26 -0.14 0.21 -0.55 8.46 7.71 2rh5B1 ARG 85 HA -0.04 0.28 0.84 -0.75 4.34 4.67 2rh5B1 ARG 85 HB2 0.02 -0.10 0.06 -0.04 1.90 1.84 2rh5B1 ARG 85 HB3 0.00 0.03 0.03 -0.04 1.80 1.82 2rh5B1 ARG 85 HG2 0.08 0.07 0.03 -0.04 1.67 1.80 2rh5B1 ARG 85 HG3 0.12 0.06 -0.18 -0.04 1.67 1.63 2rh5B1 ARG 85 HD2 0.07 -0.02 0.01 -0.04 3.22 3.24 2rh5B1 ARG 85 HD3 0.10 0.04 0.03 -0.04 3.22 3.36 2rh5B1 THR 86 H -0.18 -0.14 0.23 -0.55 8.28 7.63 2rh5B1 THR 86 HA -0.12 0.41 0.96 -0.75 4.39 4.89 2rh5B1 THR 86 HB -0.10 -0.05 0.16 -0.04 4.32 4.29 2rh5B1 THR 86 HG23 -0.05 0.06 -0.08 -0.04 1.22 1.11 2rh5B1 VAL 87 H -0.16 0.27 0.15 -0.55 8.24 7.95 2rh5B1 VAL 87 HA -0.50 0.15 0.52 -0.75 4.13 3.54 2rh5B1 VAL 87 HB -0.15 -0.01 0.14 -0.04 2.12 2.06 2rh5B1 VAL 87 HG13 -0.23 0.03 -0.09 -0.04 0.97 0.64 2rh5B1 VAL 87 HG23 -0.16 0.03 -0.08 -0.04 0.95 0.70 2rh5B1 LYS 88 H -0.15 0.11 -0.05 -0.55 8.42 7.77 2rh5B1 LYS 88 HA -0.13 0.15 0.33 -0.75 4.32 3.92 2rh5B1 LYS 88 HB2 -0.08 -0.05 0.07 -0.04 1.87 1.77 2rh5B1 LYS 88 HB3 -0.07 0.04 -0.01 -0.04 1.79 1.70 2rh5B1 LYS 88 HG2 -0.07 -0.02 0.05 -0.04 1.46 1.38 2rh5B1 LYS 88 HG3 -0.05 0.05 0.03 -0.04 1.46 1.45 2rh5B1 LYS 88 HD2 -0.05 0.00 0.04 -0.04 1.69 1.64 2rh5B1 LYS 88 HD3 -0.07 0.00 -0.02 -0.04 1.68 1.55 2rh5B1 LYS 88 HE2 -0.04 0.02 -0.00 -0.04 2.99 2.93 2rh5B1 LYS 88 HE3 -0.03 0.01 0.01 -0.04 2.99 2.93 2rh5B1 GLN 89 H -0.18 0.05 -0.46 -0.55 8.47 7.33 2rh5B1 GLN 89 HA -0.08 0.14 0.62 -0.75 4.36 4.28 2rh5B1 GLN 89 HB2 -0.26 -0.13 0.19 -0.04 2.15 1.91 2rh5B1 GLN 89 HB3 -0.35 0.07 0.02 -0.04 2.02 1.72 2rh5B1 GLN 89 HG2 0.07 0.07 0.03 -0.04 2.40 2.53 2rh5B1 GLN 89 HG3 -0.05 -0.04 -0.03 -0.04 2.39 2.23 2rh5B1 GLN 89 HE21 0.11 0.08 -0.00 -0.04 6.97 7.11 2rh5B1 GLN 89 HE22 0.07 0.02 -0.00 -0.04 7.69 7.73 2rh5B1 ALA 90 H -0.34 0.45 0.05 -0.55 8.40 8.01 2rh5B1 ALA 90 HA -0.21 0.05 0.50 -0.75 4.34 3.93 2rh5B1 ALA 90 HB3 -0.59 0.05 0.10 -0.04 1.41 0.93 2rh5B1 GLU 91 H -0.32 0.52 -0.18 -0.55 8.60 8.07 2rh5B1 GLU 91 HA 0.02 0.11 0.53 -0.75 4.29 4.19 2rh5B1 GLU 91 HB2 0.02 0.01 0.07 -0.04 2.09 2.15 2rh5B1 GLU 91 HB3 -0.03 0.03 0.05 -0.04 1.99 2.00 2rh5B1 GLU 91 HG2 -0.18 0.16 0.04 -0.04 2.34 2.32 2rh5B1 GLU 91 HG3 -0.07 0.06 -0.09 -0.04 2.34 2.20 2rh5B1 ALA 92 H -0.09 0.20 -0.40 -0.55 8.40 7.55 2rh5B1 ALA 92 HA -0.02 0.09 0.67 -0.75 4.34 4.33 2rh5B1 ALA 92 HB3 -0.02 0.01 0.11 -0.04 1.41 1.46 2rh5B1 LEU 93 H -0.06 0.68 0.00 -0.55 8.37 8.44 2rh5B1 LEU 93 HA 0.00 0.03 0.52 -0.75 4.35 4.14 2rh5B1 LEU 93 HB2 -0.09 -0.07 0.05 -0.04 1.64 1.50 2rh5B1 LEU 93 HB3 -0.07 0.11 0.16 -0.04 1.64 1.80 2rh5B1 LEU 93 HG 0.00 0.02 -0.25 -0.04 1.64 1.37 2rh5B1 LEU 93 HD13 -0.15 -0.01 -0.05 -0.04 0.93 0.68 2rh5B1 LEU 93 HD23 -0.21 0.00 -0.09 -0.04 0.89 0.55 2rh5B1 ASP 94 H 0.02 0.60 -0.08 -0.55 8.40 8.39 2rh5B1 ASP 94 HA 0.07 0.02 0.35 -0.75 4.63 4.32 2rh5B1 ASP 94 HB2 0.08 -0.01 0.19 -0.04 2.71 2.93 2rh5B1 ASP 94 HB3 0.08 0.02 -0.02 -0.04 2.70 2.74 2rh5B1 GLU 95 H 0.02 0.38 -0.31 -0.55 8.60 8.14 2rh5B1 GLU 95 HA 0.01 0.03 0.35 -0.75 4.29 3.93 2rh5B1 GLU 95 HB2 0.01 0.15 0.19 -0.04 2.09 2.40 2rh5B1 GLU 95 HB3 -0.00 0.03 0.10 -0.04 1.99 2.08 2rh5B1 GLU 95 HG2 -0.00 -0.00 -0.00 -0.04 2.34 2.29 2rh5B1 GLU 95 HG3 0.00 -0.02 0.04 -0.04 2.34 2.33 2rh5B1 MET 96 H -0.00 0.38 -0.37 -0.55 8.47 7.93 2rh5B1 MET 96 HA -0.03 0.02 0.43 -0.75 4.52 4.19 2rh5B1 MET 96 HB2 -0.02 0.04 0.12 -0.04 2.15 2.26 2rh5B1 MET 96 HB3 -0.02 0.09 0.15 -0.04 2.03 2.20 2rh5B1 MET 96 HG2 -0.09 0.01 -0.10 -0.04 2.63 2.41 2rh5B1 MET 96 HG3 -0.05 -0.07 -0.04 -0.04 2.56 2.36 2rh5B1 MET 96 HE3 -0.33 0.02 -0.29 -0.04 2.10 1.46 2rh5B1 LEU 97 H -0.00 0.54 -0.04 -0.55 8.37 8.32 2rh5B1 LEU 97 HA -0.09 0.05 0.35 -0.75 4.35 3.90 2rh5B1 LEU 97 HB2 0.05 0.11 -0.02 -0.04 1.64 1.74 2rh5B1 LEU 97 HB3 0.06 -0.06 -0.25 -0.04 1.64 1.36 2rh5B1 LEU 97 HG 0.06 -0.00 -0.02 -0.04 1.64 1.63 2rh5B1 LEU 97 HD13 0.19 -0.02 -0.25 -0.04 0.93 0.81 2rh5B1 LEU 97 HD23 0.17 0.00 -0.10 -0.04 0.89 0.92 2rh5B1 GLU 98 H 0.01 0.40 -0.31 -0.55 8.60 8.15 2rh5B1 GLU 98 HA 0.01 0.04 0.58 -0.75 4.29 4.17 2rh5B1 GLU 98 HB2 0.02 0.10 0.13 -0.04 2.09 2.29 2rh5B1 GLU 98 HB3 0.00 0.19 0.10 -0.04 1.99 2.24 2rh5B1 GLU 98 HG2 0.01 -0.03 0.00 -0.04 2.34 2.27 2rh5B1 GLU 98 HG3 0.01 -0.01 0.05 -0.04 2.34 2.35 2rh5B1 LYS 99 H -0.02 0.40 -0.26 -0.55 8.42 7.98 2rh5B1 LYS 99 HA -0.01 0.02 0.52 -0.75 4.32 4.10 2rh5B1 LYS 99 HB2 -0.04 0.24 0.18 -0.04 1.87 2.22 2rh5B1 LYS 99 HB3 -0.03 -0.06 0.09 -0.04 1.79 1.75 2rh5B1 LYS 99 HG2 -0.01 -0.05 0.06 -0.04 1.46 1.42 2rh5B1 LYS 99 HG3 -0.01 0.05 0.06 -0.04 1.46 1.52 2rh5B1 LYS 99 HD2 -0.02 0.02 0.03 -0.04 1.69 1.68 2rh5B1 LYS 99 HD3 -0.02 -0.04 0.02 -0.04 1.68 1.60 2rh5B1 LYS 99 HE2 -0.01 -0.04 -0.00 -0.04 2.99 2.90 2rh5B1 LYS 99 HE3 -0.01 0.04 -0.02 -0.04 2.99 2.96 2rh5B1 LYS 100 H -0.04 0.28 -0.55 -0.55 8.42 7.56 2rh5B1 LYS 100 HA -0.02 0.12 0.79 -0.75 4.32 4.46 2rh5B1 LYS 100 HB2 -0.07 0.06 0.06 -0.04 1.87 1.87 2rh5B1 LYS 100 HB3 -0.02 0.01 0.06 -0.04 1.79 1.80 2rh5B1 LYS 100 HG2 -0.08 -0.00 -0.02 -0.04 1.46 1.32 2rh5B1 LYS 100 HG3 -0.08 -0.01 -0.22 -0.04 1.46 1.11 2rh5B1 LYS 100 HD2 -0.23 0.05 -0.11 -0.04 1.69 1.35 2rh5B1 LYS 100 HD3 -0.46 -0.00 -0.07 -0.04 1.68 1.11 2rh5B1 LYS 100 HE2 -0.15 -0.01 -0.09 -0.04 2.99 2.70 2rh5B1 LYS 100 HE3 -0.32 -0.09 -0.10 -0.04 2.99 2.44 2rh5B1 GLY 101 H -0.00 0.25 -0.31 -0.55 8.43 7.82 2rh5B1 GLY 101 HA2 0.01 0.00 0.39 -0.51 4.01 3.90 2rh5B1 GLY 101 HA3 0.01 -0.01 0.52 -0.51 4.01 4.03 2rh5B1 LEU 102 H 0.02 0.45 0.01 -0.55 8.37 8.30 2rh5B1 LEU 102 HA 0.05 0.17 0.74 -0.75 4.35 4.55 2rh5B1 LEU 102 HB2 0.07 -0.08 -0.07 -0.04 1.64 1.52 2rh5B1 LEU 102 HB3 0.11 -0.03 0.06 -0.04 1.64 1.74 2rh5B1 LEU 102 HG 0.05 0.11 -0.64 -0.04 1.64 1.13 2rh5B1 LEU 102 HD13 0.15 -0.02 -0.06 -0.04 0.93 0.95 2rh5B1 LEU 102 HD23 0.08 0.03 0.03 -0.04 0.89 0.99 2rh5B1 LYS 103 H 0.07 0.29 0.15 -0.55 8.42 8.37 2rh5B1 LYS 103 HA 0.07 0.11 0.72 -0.75 4.32 4.46 2rh5B1 LYS 103 HB2 0.03 0.04 -0.04 -0.04 1.87 1.86 2rh5B1 LYS 103 HB3 0.03 0.04 -0.23 -0.04 1.79 1.59 2rh5B1 LYS 103 HG2 0.03 -0.03 -0.04 -0.04 1.46 1.38 2rh5B1 LYS 103 HG3 0.01 0.01 -0.32 -0.04 1.46 1.12 2rh5B1 LYS 103 HD2 0.01 -0.02 -0.10 -0.04 1.69 1.54 2rh5B1 LYS 103 HD3 0.00 0.00 -0.06 -0.04 1.68 1.58 2rh5B1 LYS 103 HE2 -0.00 -0.00 -0.08 -0.04 2.99 2.86 2rh5B1 LYS 103 HE3 -0.01 -0.03 -0.04 -0.04 2.99 2.87 2rh5B1 VAL 104 H 0.08 0.12 0.04 -0.55 8.24 7.93 2rh5B1 VAL 104 HA 0.11 0.07 0.61 -0.75 4.13 4.16 2rh5B1 VAL 104 HB 0.04 0.01 0.08 -0.04 2.12 2.21 2rh5B1 VAL 104 HG13 -0.09 -0.01 -0.31 -0.04 0.97 0.52 2rh5B1 VAL 104 HG23 0.13 -0.02 -0.07 -0.04 0.95 0.95 2rh5B1 ASP 105 H 0.04 0.27 0.30 -0.55 8.40 8.46 2rh5B1 ASP 105 HA -0.17 0.02 0.39 -0.75 4.63 4.11 2rh5B1 ASP 105 HB2 0.02 0.06 0.27 -0.04 2.71 3.01 2rh5B1 ASP 105 HB3 -0.21 0.01 0.09 -0.04 2.70 2.54 2rh5B1 HIS 106 H 0.03 0.33 0.22 -0.55 8.41 8.45 2rh5B1 HIS 106 HA -0.03 0.28 0.87 -0.75 4.63 5.00 2rh5B1 HIS 106 HB2 0.01 -0.09 -0.02 -0.04 3.26 3.12 2rh5B1 HIS 106 HB3 -0.03 -0.01 0.01 -0.04 3.20 3.12 2rh5B1 HIS 106 HD2 -0.01 0.01 0.06 -0.04 6.97 6.98 2rh5B1 HIS 106 HE1 0.02 -0.00 -0.01 -0.04 7.75 7.72 2rh5B1 VAL 107 H 0.01 0.71 0.16 -0.55 8.24 8.57 2rh5B1 VAL 107 HA -0.03 0.11 1.04 -0.75 4.13 4.50 2rh5B1 VAL 107 HB -0.14 -0.06 0.01 -0.04 2.12 1.89 2rh5B1 VAL 107 HG13 -0.06 -0.02 -0.22 -0.04 0.97 0.63 2rh5B1 VAL 107 HG23 -0.89 0.01 -0.21 -0.04 0.95 -0.17 2rh5B1 LEU 108 H -0.00 0.45 0.21 -0.55 8.37 8.47 2rh5B1 LEU 108 HA -0.19 0.21 0.84 -0.75 4.35 4.45 2rh5B1 LEU 108 HB2 -0.46 -0.01 0.19 -0.04 1.64 1.32 2rh5B1 LEU 108 HB3 -0.70 -0.03 -0.03 -0.04 1.64 0.83 2rh5B1 LEU 108 HG -0.20 0.03 -0.07 -0.04 1.64 1.36 2rh5B1 LEU 108 HD13 0.01 0.00 -0.10 -0.04 0.93 0.81 2rh5B1 LEU 108 HD23 -0.36 -0.00 -0.07 -0.04 0.89 0.42 2rh5B1 LEU 109 H -0.15 0.91 0.45 -0.55 8.37 9.03 2rh5B1 LEU 109 HA 0.08 0.18 1.01 -0.75 4.35 4.87 2rh5B1 LEU 109 HB2 0.03 0.02 -0.03 -0.04 1.64 1.62 2rh5B1 LEU 109 HB3 -0.02 -0.05 0.09 -0.04 1.64 1.61 2rh5B1 LEU 109 HG 0.08 -0.03 -0.29 -0.04 1.64 1.36 2rh5B1 LEU 109 HD13 0.17 0.02 -0.15 -0.04 0.93 0.93 2rh5B1 LEU 109 HD23 0.06 -0.01 -0.10 -0.04 0.89 0.79 2rh5B1 PHE 110 H 0.29 0.73 0.31 -0.55 8.34 9.11 2rh5B1 PHE 110 HA -0.06 0.16 0.93 -0.75 4.62 4.90 2rh5B1 PHE 110 HB2 -0.03 -0.01 0.27 -0.04 3.15 3.34 2rh5B1 PHE 110 HB3 -0.04 -0.00 0.04 -0.04 3.06 3.02 2rh5B1 PHE 110 HD2 -0.11 0.17 -0.09 -0.04 7.28 7.21 2rh5B1 PHE 110 HE2 -0.67 0.02 -0.10 -0.04 7.38 6.60 2rh5B1 PHE 110 HZ -0.48 0.01 -0.09 -0.04 7.32 6.73 2rh5B1 GLU 111 H -0.02 0.60 0.26 -0.55 8.60 8.90 2rh5B1 GLU 111 HA 0.07 0.07 0.66 -0.75 4.29 4.34 2rh5B1 GLU 111 HB2 -0.01 0.13 0.14 -0.04 2.09 2.30 2rh5B1 GLU 111 HB3 0.02 -0.05 -0.05 -0.04 1.99 1.87 2rh5B1 GLU 111 HG2 0.03 -0.00 -0.10 -0.04 2.34 2.23 2rh5B1 GLU 111 HG3 0.02 0.01 -0.04 -0.04 2.34 2.28 2rh5B1 VAL 112 H 0.05 0.27 0.15 -0.55 8.24 8.16 2rh5B1 VAL 112 HA 0.03 0.06 0.46 -0.75 4.13 3.92 2rh5B1 VAL 112 HB 0.04 0.05 -0.17 -0.04 2.12 2.00 2rh5B1 VAL 112 HG13 0.02 0.03 -0.15 -0.04 0.97 0.82 2rh5B1 VAL 112 HG23 0.03 0.03 -0.15 -0.04 0.95 0.81 2rh5B1 PRO 113 HA 0.03 0.08 0.50 -0.51 4.44 4.54 2rh5B1 PRO 113 HB2 0.02 -0.11 0.04 -0.04 2.28 2.20 2rh5B1 PRO 113 HB3 0.02 0.06 0.11 -0.04 2.02 2.18 2rh5B1 PRO 113 HG2 0.02 0.09 0.07 -0.04 2.03 2.16 2rh5B1 PRO 113 HG3 0.02 0.09 0.06 -0.04 2.03 2.15 2rh5B1 PRO 113 HD2 0.02 0.12 0.17 -0.04 3.68 3.95 2rh5B1 PRO 113 HD3 0.02 0.16 0.11 -0.04 3.65 3.90 2rh5B1 ASP 114 H 0.03 0.17 0.19 -0.55 8.40 8.25 2rh5B1 ASP 114 HA 0.03 0.14 0.37 -0.75 4.63 4.40 2rh5B1 ASP 114 HB2 0.03 -0.04 0.16 -0.04 2.71 2.82 2rh5B1 ASP 114 HB3 0.03 0.04 0.01 -0.04 2.70 2.74 2rh5B1 GLU 115 H 0.02 0.10 -0.13 -0.55 8.60 8.05 2rh5B1 GLU 115 HA 0.02 0.07 0.36 -0.75 4.29 4.00 2rh5B1 GLU 115 HB2 0.03 0.07 -0.04 -0.04 2.09 2.10 2rh5B1 GLU 115 HB3 0.02 0.05 0.08 -0.04 1.99 2.09 2rh5B1 GLU 115 HG2 0.02 -0.05 -0.01 -0.04 2.34 2.26 2rh5B1 GLU 115 HG3 0.02 0.08 -0.00 -0.04 2.34 2.40 2rh5B1 VAL 116 H 0.03 0.21 -0.29 -0.55 8.24 7.64 2rh5B1 VAL 116 HA 0.05 0.06 0.48 -0.75 4.13 3.97 2rh5B1 VAL 116 HB 0.03 0.12 0.06 -0.04 2.12 2.30 2rh5B1 VAL 116 HG13 0.04 0.02 -0.10 -0.04 0.97 0.89 2rh5B1 VAL 116 HG23 0.03 -0.02 0.02 -0.04 0.95 0.95 2rh5B1 VAL 117 H 0.03 0.38 -0.15 -0.55 8.24 7.95 2rh5B1 VAL 117 HA 0.03 0.09 0.45 -0.75 4.13 3.95 2rh5B1 VAL 117 HB 0.01 0.07 0.05 -0.04 2.12 2.21 2rh5B1 VAL 117 HG13 -0.01 -0.02 -0.09 -0.04 0.97 0.81 2rh5B1 VAL 117 HG23 -0.00 0.04 -0.12 -0.04 0.95 0.82 2rh5B1 ILE 118 H 0.03 0.46 -0.20 -0.55 8.25 7.99 2rh5B1 ILE 118 HA 0.02 0.00 0.38 -0.75 4.18 3.83 2rh5B1 ILE 118 HB 0.02 0.07 0.17 -0.04 1.89 2.12 2rh5B1 ILE 118 HG12 0.02 -0.04 -0.01 -0.04 1.49 1.42 2rh5B1 ILE 118 HG13 0.02 0.06 -0.04 -0.04 1.21 1.21 2rh5B1 ILE 118 HG23 0.01 -0.01 -0.07 -0.04 0.93 0.82 2rh5B1 ILE 118 HD13 0.02 -0.05 -0.18 -0.04 0.88 0.63 2rh5B1 GLU 119 H 0.05 0.53 -0.09 -0.55 8.60 8.54 2rh5B1 GLU 119 HA 0.04 0.01 0.48 -0.75 4.29 4.07 2rh5B1 GLU 119 HB2 0.06 0.01 0.14 -0.04 2.09 2.26 2rh5B1 GLU 119 HB3 0.11 0.09 0.17 -0.04 1.99 2.32 2rh5B1 GLU 119 HG2 0.04 -0.03 -0.10 -0.04 2.34 2.22 2rh5B1 GLU 119 HG3 0.03 -0.03 0.04 -0.04 2.34 2.35 2rh5B1 ARG 120 H 0.11 0.58 -0.07 -0.55 8.46 8.53 2rh5B1 ARG 120 HA 0.27 -0.02 0.35 -0.75 4.34 4.19 2rh5B1 ARG 120 HB2 0.08 0.07 0.18 -0.04 1.90 2.19 2rh5B1 ARG 120 HB3 0.11 -0.06 0.01 -0.04 1.80 1.82 2rh5B1 ARG 120 HG2 0.15 -0.08 0.04 -0.04 1.67 1.74 2rh5B1 ARG 120 HG3 0.13 0.11 0.11 -0.04 1.67 1.98 2rh5B1 ARG 120 HD2 0.04 0.00 -0.06 -0.04 3.22 3.16 2rh5B1 ARG 120 HD3 0.03 -0.00 0.02 -0.04 3.22 3.22 2rh5B1 LEU 121 H 0.07 0.58 -0.06 -0.55 8.37 8.41 2rh5B1 LEU 121 HA 0.08 0.10 0.74 -0.75 4.35 4.51 2rh5B1 LEU 121 HB2 0.03 0.06 0.02 -0.04 1.64 1.70 2rh5B1 LEU 121 HB3 0.03 -0.04 0.06 -0.04 1.64 1.65 2rh5B1 LEU 121 HG 0.03 0.15 0.01 -0.04 1.64 1.78 2rh5B1 LEU 121 HD13 0.00 -0.04 -0.15 -0.04 0.93 0.71 2rh5B1 LEU 121 HD23 0.03 -0.04 -0.09 -0.04 0.89 0.76 2rh5B1 SER 122 H 0.03 0.43 -0.05 -0.55 8.46 8.33 2rh5B1 SER 122 HA -0.02 0.36 0.61 -0.75 4.49 4.69 2rh5B1 SER 122 HB2 0.00 0.28 0.28 -0.04 3.95 4.47 2rh5B1 SER 122 HB3 -0.03 -0.05 0.07 -0.04 3.93 3.88 2rh5B1 GLY 123 H -0.07 0.32 -0.22 -0.55 8.43 7.92 2rh5B1 GLY 123 HA2 -0.31 0.05 0.44 -0.51 4.01 3.67 2rh5B1 GLY 123 HA3 -0.91 -0.04 0.33 -0.51 4.01 2.87 2rh5B1 ARG 124 H -0.09 0.21 -0.42 -0.55 8.46 7.62 2rh5B1 ARG 124 HA -0.02 0.21 0.73 -0.75 4.34 4.50 2rh5B1 ARG 124 HB2 0.02 0.14 0.15 -0.04 1.90 2.17 2rh5B1 ARG 124 HB3 0.02 -0.08 -0.04 -0.04 1.80 1.65 2rh5B1 ARG 124 HG2 0.07 0.02 0.06 -0.04 1.67 1.78 2rh5B1 ARG 124 HG3 0.17 -0.01 0.08 -0.04 1.67 1.87 2rh5B1 ARG 124 HD2 0.07 -0.06 0.01 -0.04 3.22 3.20 2rh5B1 ARG 124 HD3 0.08 0.05 0.11 -0.04 3.22 3.43 2rh5B1 ARG 125 H 0.06 0.53 0.27 -0.55 8.46 8.77 2rh5B1 ARG 125 HA 0.02 0.29 0.78 -0.75 4.34 4.69 2rh5B1 ARG 125 HB2 0.10 -0.05 -0.03 -0.04 1.90 1.88 2rh5B1 ARG 125 HB3 0.05 -0.04 -0.09 -0.04 1.80 1.68 2rh5B1 ARG 125 HG2 -0.05 0.06 -0.40 -0.04 1.67 1.24 2rh5B1 ARG 125 HG3 -0.03 -0.03 -0.15 -0.04 1.67 1.42 2rh5B1 ARG 125 HD2 -0.01 -0.10 -0.34 -0.04 3.22 2.72 2rh5B1 ARG 125 HD3 -0.02 0.22 -0.08 -0.04 3.22 3.30 2rh5B1 ILE 126 H 0.05 0.59 0.31 -0.55 8.25 8.65 2rh5B1 ILE 126 HA 0.04 0.29 1.00 -0.75 4.18 4.75 2rh5B1 ILE 126 HB 0.02 -0.08 -0.09 -0.04 1.89 1.71 2rh5B1 ILE 126 HG12 0.02 -0.04 -0.08 -0.04 1.49 1.35 2rh5B1 ILE 126 HG13 0.01 -0.03 -0.08 -0.04 1.21 1.06 2rh5B1 ILE 126 HG23 0.00 0.06 -0.23 -0.04 0.93 0.73 2rh5B1 ILE 126 HD13 0.00 0.03 -0.19 -0.04 0.88 0.68 2rh5B1 ASN 127 H 0.08 0.80 0.23 -0.55 8.53 9.09 2rh5B1 ASN 127 HA 0.11 0.31 0.85 -0.75 4.76 5.27 2rh5B1 ASN 127 HB2 0.28 0.16 0.16 -0.04 2.88 3.44 2rh5B1 ASN 127 HB3 0.06 -0.29 0.28 -0.04 2.79 2.81 2rh5B1 ASN 127 HD21 0.07 0.02 0.04 -0.04 7.03 7.12 2rh5B1 ASN 127 HD22 0.16 0.06 0.03 -0.04 7.74 7.96 2rh5B1 PRO 128 HA 0.02 0.08 0.26 -0.51 4.44 4.29 2rh5B1 PRO 128 HB2 0.02 0.04 -0.10 -0.04 2.28 2.19 2rh5B1 PRO 128 HB3 0.01 0.02 0.02 -0.04 2.02 2.03 2rh5B1 PRO 128 HG2 0.02 0.04 -0.06 -0.04 2.03 1.99 2rh5B1 PRO 128 HG3 0.02 0.03 -0.05 -0.04 2.03 1.99 2rh5B1 PRO 128 HD2 0.04 0.13 0.21 -0.04 3.68 4.01 2rh5B1 PRO 128 HD3 0.05 0.31 0.42 -0.04 3.65 4.39 2rh5B1 GLU 129 H 0.03 0.07 -0.25 -0.55 8.60 7.90 2rh5B1 GLU 129 HA 0.01 0.16 0.60 -0.75 4.29 4.31 2rh5B1 GLU 129 HB2 0.02 -0.04 0.07 -0.04 2.09 2.10 2rh5B1 GLU 129 HB3 0.02 0.04 -0.06 -0.04 1.99 1.94 2rh5B1 GLU 129 HG2 0.01 0.03 0.02 -0.04 2.34 2.36 2rh5B1 GLU 129 HG3 0.01 -0.03 -0.02 -0.04 2.34 2.26 2rh5B1 THR 130 H 0.02 -0.02 -0.11 -0.55 8.28 7.63 2rh5B1 THR 130 HA 0.01 0.28 0.89 -0.75 4.39 4.81 2rh5B1 THR 130 HB 0.01 0.05 0.07 -0.04 4.32 4.41 2rh5B1 THR 130 HG23 0.02 0.00 -0.11 -0.04 1.22 1.10 2rh5B1 GLY 131 H 0.01 0.48 0.14 -0.55 8.43 8.51 2rh5B1 GLY 131 HA2 -0.01 0.04 0.29 -0.51 4.01 3.82 2rh5B1 GLY 131 HA3 -0.02 0.13 0.58 -0.51 4.01 4.19 2rh5B1 GLU 132 H -0.03 -0.05 -0.19 -0.55 8.60 7.77 2rh5B1 GLU 132 HA -0.15 0.07 0.49 -0.75 4.29 3.95 2rh5B1 GLU 132 HB2 -0.06 -0.03 0.06 -0.04 2.09 2.03 2rh5B1 GLU 132 HB3 -0.16 -0.05 0.06 -0.04 1.99 1.81 2rh5B1 GLU 132 HG2 -0.43 0.12 -0.03 -0.04 2.34 1.96 2rh5B1 GLU 132 HG3 -0.13 0.00 0.04 -0.04 2.34 2.21 2rh5B1 VAL 133 H -0.25 0.14 0.24 -0.55 8.24 7.82 2rh5B1 VAL 133 HA -0.15 0.20 0.94 -0.75 4.13 4.36 2rh5B1 VAL 133 HB -0.05 -0.02 0.03 -0.04 2.12 2.05 2rh5B1 VAL 133 HG13 -0.08 0.03 0.11 -0.04 0.97 0.99 2rh5B1 VAL 133 HG23 -0.01 0.01 -0.10 -0.04 0.95 0.80 2rh5B1 TYR 134 H 0.06 0.64 0.44 -0.55 8.29 8.89 2rh5B1 TYR 134 HA 0.05 0.19 0.84 -0.75 4.56 4.89 2rh5B1 TYR 134 HB2 0.00 -0.09 -0.04 -0.04 3.06 2.90 2rh5B1 TYR 134 HB3 0.02 0.25 -0.01 -0.04 2.98 3.20 2rh5B1 TYR 134 HD2 0.01 0.11 -0.16 -0.04 7.15 7.07 2rh5B1 TYR 134 HE2 0.01 -0.05 -0.09 -0.04 6.85 6.68 2rh5B1 HIS 135 H 0.24 0.58 0.06 -0.55 8.41 8.75 2rh5B1 HIS 135 HA 0.03 0.29 0.60 -0.75 4.63 4.80 2rh5B1 HIS 135 HB2 0.09 0.10 -0.14 -0.04 3.26 3.27 2rh5B1 HIS 135 HB3 0.10 -0.21 0.03 -0.04 3.20 3.07 2rh5B1 HIS 135 HD2 0.03 0.19 0.00 -0.04 6.97 7.16 2rh5B1 HIS 135 HE1 -0.68 0.02 0.02 -0.04 7.75 7.06 2rh5B1 VAL 136 H -0.39 0.76 0.18 -0.55 8.24 8.23 2rh5B1 VAL 136 HA -0.05 0.06 0.22 -0.75 4.13 3.61 2rh5B1 VAL 136 HB -0.08 -0.01 0.02 -0.04 2.12 2.01 2rh5B1 VAL 136 HG13 -0.10 0.06 0.01 -0.04 0.97 0.89 2rh5B1 VAL 136 HG23 -0.24 -0.00 0.09 -0.04 0.95 0.75 2rh5B1 LYS 137 H -0.02 0.00 -0.16 -0.55 8.42 7.69 2rh5B1 LYS 137 HA 0.01 0.18 0.73 -0.75 4.32 4.48 2rh5B1 LYS 137 HB2 -0.25 -0.07 0.11 -0.04 1.87 1.63 2rh5B1 LYS 137 HB3 -0.10 0.03 -0.02 -0.04 1.79 1.67 2rh5B1 LYS 137 HG2 -0.01 0.05 0.02 -0.04 1.46 1.47 2rh5B1 LYS 137 HG3 -0.06 -0.03 -0.02 -0.04 1.46 1.32 2rh5B1 LYS 137 HD2 -0.06 -0.01 -0.00 -0.04 1.69 1.58 2rh5B1 LYS 137 HD3 0.03 0.01 -0.01 -0.04 1.68 1.67 2rh5B1 LYS 137 HE2 -0.00 0.02 -0.01 -0.04 2.99 2.95 2rh5B1 LYS 137 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2rh5B1 TYR 138 H 0.03 -0.03 -0.09 -0.55 8.29 7.65 2rh5B1 TYR 138 HA 0.01 0.06 0.10 -0.75 4.56 3.98 2rh5B1 TYR 138 HB2 -0.13 -0.00 0.00 -0.04 3.06 2.89 2rh5B1 TYR 138 HB3 -0.08 0.01 0.01 -0.04 2.98 2.88 2rh5B1 TYR 138 HD2 -0.38 0.04 -0.05 -0.04 7.15 6.72 2rh5B1 TYR 138 HE2 -0.19 0.01 -0.03 -0.04 6.85 6.60 2rh5B1 ASN 139 H 0.23 0.21 -0.19 -0.55 8.53 8.24 2rh5B1 ASN 139 HA 0.12 0.18 0.69 -0.75 4.76 5.00 2rh5B1 ASN 139 HB2 0.12 0.03 -0.12 -0.04 2.88 2.87 2rh5B1 ASN 139 HB3 0.18 -0.17 0.11 -0.04 2.79 2.87 2rh5B1 ASN 139 HD21 0.12 0.01 0.05 -0.04 7.03 7.17 2rh5B1 ASN 139 HD22 0.10 -0.04 0.09 -0.04 7.74 7.84 2rh5B1 PRO 140 HA 0.02 0.02 0.09 -0.51 4.44 4.07 2rh5B1 PRO 140 HB2 -0.01 -0.02 -0.07 -0.04 2.28 2.14 2rh5B1 PRO 140 HB3 -0.01 0.02 0.10 -0.04 2.02 2.09 2rh5B1 PRO 140 HG2 0.03 -0.08 0.04 -0.04 2.03 1.98 2rh5B1 PRO 140 HG3 0.04 0.33 0.03 -0.04 2.03 2.38 2rh5B1 PRO 140 HD2 0.06 0.02 0.03 -0.04 3.68 3.75 2rh5B1 PRO 140 HD3 0.09 0.20 -0.31 -0.04 3.65 3.59 2rh5B1 PRO 141 HA -0.76 0.13 0.49 -0.51 4.44 3.79 2rh5B1 PRO 141 HB2 -0.33 0.11 -0.08 -0.04 2.28 1.94 2rh5B1 PRO 141 HB3 -0.87 -0.02 -0.02 -0.04 2.02 1.06 2rh5B1 PRO 141 HG2 -0.13 0.01 -0.02 -0.04 2.03 1.84 2rh5B1 PRO 141 HG3 -0.12 -0.02 -0.06 -0.04 2.03 1.78 2rh5B1 PRO 141 HD2 -0.09 0.08 0.12 -0.04 3.68 3.74 2rh5B1 PRO 141 HD3 -0.05 0.05 0.03 -0.04 3.65 3.64 2rh5B1 PRO 142 HA -0.07 0.10 0.44 -0.51 4.44 4.40 2rh5B1 PRO 142 HB2 -0.07 0.01 -0.07 -0.04 2.28 2.12 2rh5B1 PRO 142 HB3 -0.03 0.01 0.08 -0.04 2.02 2.04 2rh5B1 PRO 142 HG2 0.02 -0.02 0.04 -0.04 2.03 2.03 2rh5B1 PRO 142 HG3 -0.00 0.07 0.06 -0.04 2.03 2.11 2rh5B1 PRO 142 HD2 -0.52 0.03 0.12 -0.04 3.68 3.27 2rh5B1 PRO 142 HD3 -0.56 0.19 0.20 -0.04 3.65 3.43 2rh5B1 PRO 143 HA -0.04 0.02 0.39 -0.51 4.44 4.29 2rh5B1 PRO 143 HB2 -0.02 0.01 0.03 -0.04 2.28 2.26 2rh5B1 PRO 143 HB3 -0.02 0.01 0.08 -0.04 2.02 2.04 2rh5B1 PRO 143 HG2 -0.02 0.02 0.08 -0.04 2.03 2.07 2rh5B1 PRO 143 HG3 -0.02 0.06 0.09 -0.04 2.03 2.11 2rh5B1 PRO 143 HD2 -0.03 0.08 0.17 -0.04 3.68 3.87 2rh5B1 PRO 143 HD3 -0.04 0.17 0.20 -0.04 3.65 3.95 2rh5B1 GLY 144 H -0.04 0.13 0.15 -0.55 8.43 8.12 2rh5B1 GLY 144 HA2 -0.02 -0.02 0.29 -0.51 4.01 3.74 2rh5B1 GLY 144 HA3 -0.02 0.03 0.23 -0.51 4.01 3.74 2rh5B1 VAL 145 H -0.06 0.36 -0.43 -0.55 8.24 7.55 2rh5B1 VAL 145 HA -0.02 0.08 0.85 -0.75 4.13 4.29 2rh5B1 VAL 145 HB -0.14 0.12 -0.02 -0.04 2.12 2.03 2rh5B1 VAL 145 HG13 0.01 -0.00 -0.13 -0.04 0.97 0.80 2rh5B1 VAL 145 HG23 -0.03 0.04 -0.19 -0.04 0.95 0.72 2rh5B1 LYS 146 H -0.01 0.12 0.09 -0.55 8.42 8.07 2rh5B1 LYS 146 HA -0.02 0.07 0.56 -0.75 4.32 4.18 2rh5B1 LYS 146 HB2 -0.01 0.01 0.06 -0.04 1.87 1.90 2rh5B1 LYS 146 HB3 0.00 -0.05 0.15 -0.04 1.79 1.85 2rh5B1 LYS 146 HG2 0.00 0.12 -0.10 -0.04 1.46 1.44 2rh5B1 LYS 146 HG3 -0.00 -0.01 0.01 -0.04 1.46 1.42 2rh5B1 LYS 146 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 2rh5B1 LYS 146 HD3 0.01 -0.04 -0.11 -0.04 1.68 1.49 2rh5B1 LYS 146 HE2 0.00 -0.00 -0.02 -0.04 2.99 2.93 2rh5B1 LYS 146 HE3 0.00 -0.02 -0.04 -0.04 2.99 2.89 2rh5B1 VAL 147 H -0.01 0.21 0.23 -0.55 8.24 8.11 2rh5B1 VAL 147 HA 0.04 0.22 0.93 -0.75 4.13 4.57 2rh5B1 VAL 147 HB 0.07 -0.03 -0.14 -0.04 2.12 1.98 2rh5B1 VAL 147 HG13 -0.04 0.02 -0.40 -0.04 0.97 0.51 2rh5B1 VAL 147 HG23 -0.03 -0.01 -0.13 -0.04 0.95 0.74 2rh5B1 ILE 148 H 0.04 0.63 0.34 -0.55 8.25 8.71 2rh5B1 ILE 148 HA 0.00 0.20 0.90 -0.75 4.18 4.54 2rh5B1 ILE 148 HB 0.00 0.01 0.11 -0.04 1.89 1.98 2rh5B1 ILE 148 HG12 0.01 -0.02 -0.74 -0.04 1.49 0.70 2rh5B1 ILE 148 HG13 0.01 -0.01 -0.15 -0.04 1.21 1.01 2rh5B1 ILE 148 HG23 0.01 0.02 -0.18 -0.04 0.93 0.73 2rh5B1 ILE 148 HD13 0.02 -0.00 -0.06 -0.04 0.88 0.79 2rh5B1 GLN 149 H -0.00 0.16 0.16 -0.55 8.47 8.24 2rh5B1 GLN 149 HA -0.00 0.26 0.92 -0.75 4.36 4.78 2rh5B1 GLN 149 HB2 -0.02 0.02 0.10 -0.04 2.15 2.21 2rh5B1 GLN 149 HB3 -0.01 -0.09 0.14 -0.04 2.02 2.02 2rh5B1 GLN 149 HG2 -0.01 0.08 -0.17 -0.04 2.40 2.25 2rh5B1 GLN 149 HG3 -0.02 0.19 0.08 -0.04 2.39 2.60 2rh5B1 GLN 149 HE21 -0.03 -0.16 0.11 -0.04 6.97 6.84 2rh5B1 GLN 149 HE22 -0.03 0.30 0.15 -0.04 7.69 8.07 2rh5B1 ARG 150 H 0.00 0.21 0.06 -0.55 8.46 8.17 2rh5B1 ARG 150 HA 0.00 0.07 0.50 -0.75 4.34 4.16 2rh5B1 ARG 150 HB2 0.00 0.03 0.01 -0.04 1.90 1.91 2rh5B1 ARG 150 HB3 0.01 -0.10 0.03 -0.04 1.80 1.70 2rh5B1 ARG 150 HG2 0.01 0.02 -0.01 -0.04 1.67 1.65 2rh5B1 ARG 150 HG3 0.01 0.03 -0.00 -0.04 1.67 1.67 2rh5B1 ARG 150 HD2 0.01 0.06 -0.05 -0.04 3.22 3.19 2rh5B1 ARG 150 HD3 0.01 -0.00 -0.04 -0.04 3.22 3.14 2rh5B1 GLU 151 H 0.00 0.16 0.17 -0.55 8.60 8.38 2rh5B1 GLU 151 HA 0.00 0.14 0.44 -0.75 4.29 4.11 2rh5B1 GLU 151 HB2 0.00 0.04 0.18 -0.04 2.09 2.27 2rh5B1 GLU 151 HB3 0.01 -0.00 0.08 -0.04 1.99 2.03 2rh5B1 GLU 151 HG2 0.00 0.03 0.02 -0.04 2.34 2.35 2rh5B1 GLU 151 HG3 0.00 -0.03 0.03 -0.04 2.34 2.30 2rh5B1 ASP 152 H 0.01 0.10 -0.14 -0.55 8.40 7.82 2rh5B1 ASP 152 HA 0.01 0.11 0.50 -0.75 4.63 4.50 2rh5B1 ASP 152 HB2 0.01 0.05 0.12 -0.04 2.71 2.84 2rh5B1 ASP 152 HB3 0.01 0.01 0.05 -0.04 2.70 2.73 2rh5B1 ASP 153 H 0.00 0.31 -0.76 -0.55 8.40 7.41 2rh5B1 ASP 153 HA 0.01 0.14 0.71 -0.75 4.63 4.73 2rh5B1 ASP 153 HB2 -0.00 -0.01 0.04 -0.04 2.71 2.69 2rh5B1 ASP 153 HB3 -0.00 0.24 0.19 -0.04 2.70 3.09 2rh5B1 LYS 154 H 0.00 0.23 -0.19 -0.55 8.42 7.91 2rh5B1 LYS 154 HA -0.01 0.22 0.63 -0.75 4.32 4.41 2rh5B1 LYS 154 HB2 0.00 0.02 0.21 -0.04 1.87 2.07 2rh5B1 LYS 154 HB3 -0.00 -0.14 0.11 -0.04 1.79 1.72 2rh5B1 LYS 154 HG2 -0.01 0.04 0.07 -0.04 1.46 1.52 2rh5B1 LYS 154 HG3 -0.00 0.15 0.13 -0.04 1.46 1.69 2rh5B1 LYS 154 HD2 0.00 0.01 0.12 -0.04 1.69 1.78 2rh5B1 LYS 154 HD3 -0.00 -0.10 0.07 -0.04 1.68 1.62 2rh5B1 LYS 154 HE2 -0.00 0.01 0.04 -0.04 2.99 2.99 2rh5B1 LYS 154 HE3 -0.00 0.04 0.01 -0.04 2.99 3.00 2rh5B1 PRO 155 HA 0.01 0.09 0.42 -0.51 4.44 4.45 2rh5B1 PRO 155 HB2 0.00 -0.02 0.09 -0.04 2.28 2.31 2rh5B1 PRO 155 HB3 0.00 0.04 0.09 -0.04 2.02 2.11 2rh5B1 PRO 155 HG2 -0.01 0.06 0.12 -0.04 2.03 2.16 2rh5B1 PRO 155 HG3 -0.01 0.11 0.13 -0.04 2.03 2.22 2rh5B1 PRO 155 HD2 -0.01 0.07 0.26 -0.04 3.68 3.96 2rh5B1 PRO 155 HD3 -0.01 0.34 0.31 -0.04 3.65 4.25 2rh5B1 GLU 156 H 0.00 0.17 -0.19 -0.55 8.60 8.03 2rh5B1 GLU 156 HA 0.01 0.06 0.41 -0.75 4.29 4.02 2rh5B1 GLU 156 HB2 0.01 0.06 -0.04 -0.04 2.09 2.07 2rh5B1 GLU 156 HB3 0.01 0.04 0.07 -0.04 1.99 2.06 2rh5B1 GLU 156 HG2 0.00 0.05 0.04 -0.04 2.34 2.39 2rh5B1 GLU 156 HG3 0.00 -0.11 0.10 -0.04 2.34 2.28 2rh5B1 VAL 157 H 0.01 0.24 -0.24 -0.55 8.24 7.70 2rh5B1 VAL 157 HA 0.01 0.07 0.53 -0.75 4.13 3.99 2rh5B1 VAL 157 HB 0.01 0.10 0.05 -0.04 2.12 2.24 2rh5B1 VAL 157 HG13 0.01 -0.01 0.04 -0.04 0.97 0.97 2rh5B1 VAL 157 HG23 0.01 -0.01 -0.01 -0.04 0.95 0.90 2rh5B1 ILE 158 H 0.01 0.44 -0.26 -0.55 8.25 7.89 2rh5B1 ILE 158 HA 0.01 0.09 0.55 -0.75 4.18 4.09 2rh5B1 ILE 158 HB 0.01 0.04 0.03 -0.04 1.89 1.94 2rh5B1 ILE 158 HG12 0.01 -0.01 -0.09 -0.04 1.49 1.36 2rh5B1 ILE 158 HG13 0.01 0.08 -0.31 -0.04 1.21 0.95 2rh5B1 ILE 158 HG23 0.01 -0.02 -0.16 -0.04 0.93 0.72 2rh5B1 ILE 158 HD13 0.01 0.00 -0.29 -0.04 0.88 0.56 2rh5B1 LYS 159 H 0.02 0.56 -0.06 -0.55 8.42 8.38 2rh5B1 LYS 159 HA 0.02 0.02 0.41 -0.75 4.32 4.02 2rh5B1 LYS 159 HB2 0.02 0.12 0.18 -0.04 1.87 2.15 2rh5B1 LYS 159 HB3 0.02 -0.02 -0.03 -0.04 1.79 1.73 2rh5B1 LYS 159 HG2 0.02 -0.06 0.04 -0.04 1.46 1.42 2rh5B1 LYS 159 HG3 0.02 0.04 0.04 -0.04 1.46 1.51 2rh5B1 LYS 159 HD2 0.01 0.02 -0.04 -0.04 1.69 1.64 2rh5B1 LYS 159 HD3 0.01 -0.01 -0.00 -0.04 1.68 1.64 2rh5B1 LYS 159 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.91 2rh5B1 LYS 159 HE3 0.01 0.00 -0.03 -0.04 2.99 2.94 2rh5B1 LYS 160 H 0.02 0.40 -0.16 -0.55 8.42 8.13 2rh5B1 LYS 160 HA 0.03 0.02 0.49 -0.75 4.32 4.11 2rh5B1 LYS 160 HB2 0.02 0.07 0.15 -0.04 1.87 2.07 2rh5B1 LYS 160 HB3 0.02 0.08 0.10 -0.04 1.79 1.95 2rh5B1 LYS 160 HG2 0.02 -0.03 -0.05 -0.04 1.46 1.36 2rh5B1 LYS 160 HG3 0.02 -0.02 0.06 -0.04 1.46 1.47 2rh5B1 LYS 160 HD2 0.01 0.01 0.01 -0.04 1.69 1.67 2rh5B1 LYS 160 HD3 0.02 0.02 -0.02 -0.04 1.68 1.66 2rh5B1 LYS 160 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.94 2rh5B1 LYS 160 HE3 0.01 -0.01 0.00 -0.04 2.99 2.96 2rh5B1 ARG 161 H 0.03 0.39 -0.29 -0.55 8.46 8.04 2rh5B1 ARG 161 HA 0.04 0.02 0.48 -0.75 4.34 4.12 2rh5B1 ARG 161 HB2 0.02 0.41 0.27 -0.04 1.90 2.57 2rh5B1 ARG 161 HB3 0.02 0.04 0.09 -0.04 1.80 1.91 2rh5B1 ARG 161 HG2 0.04 -0.06 0.05 -0.04 1.67 1.66 2rh5B1 ARG 161 HG3 0.03 -0.04 0.09 -0.04 1.67 1.72 2rh5B1 ARG 161 HD2 0.02 0.01 0.04 -0.04 3.22 3.25 2rh5B1 ARG 161 HD3 0.01 0.04 0.03 -0.04 3.22 3.26 2rh5B1 LEU 162 H 0.04 0.54 -0.19 -0.55 8.37 8.21 2rh5B1 LEU 162 HA 0.09 0.02 0.56 -0.75 4.35 4.27 2rh5B1 LEU 162 HB2 0.04 0.16 0.23 -0.04 1.64 2.03 2rh5B1 LEU 162 HB3 0.06 -0.07 -0.03 -0.04 1.64 1.57 2rh5B1 LEU 162 HG 0.00 0.05 0.04 -0.04 1.64 1.69 2rh5B1 LEU 162 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.86 2rh5B1 LEU 162 HD23 -0.01 -0.01 0.07 -0.04 0.89 0.90 2rh5B1 GLU 163 H 0.05 0.64 -0.03 -0.55 8.60 8.72 2rh5B1 GLU 163 HA 0.05 -0.02 0.45 -0.75 4.29 4.02 2rh5B1 GLU 163 HB2 0.03 0.16 0.22 -0.04 2.09 2.46 2rh5B1 GLU 163 HB3 0.04 0.08 0.23 -0.04 1.99 2.30 2rh5B1 GLU 163 HG2 0.02 -0.04 -0.07 -0.04 2.34 2.21 2rh5B1 GLU 163 HG3 0.03 -0.03 0.06 -0.04 2.34 2.36 2rh5B1 VAL 164 H 0.05 0.49 -0.11 -0.55 8.24 8.12 2rh5B1 VAL 164 HA 0.02 -0.03 0.38 -0.75 4.13 3.75 2rh5B1 VAL 164 HB 0.06 0.14 0.13 -0.04 2.12 2.41 2rh5B1 VAL 164 HG13 0.03 -0.01 -0.05 -0.04 0.97 0.90 2rh5B1 VAL 164 HG23 0.03 0.01 0.08 -0.04 0.95 1.02 2rh5B1 TYR 165 H 0.17 0.36 -0.30 -0.55 8.29 7.97 2rh5B1 TYR 165 HA 0.02 0.01 0.55 -0.75 4.56 4.38 2rh5B1 TYR 165 HB2 0.03 0.01 0.19 -0.04 3.06 3.25 2rh5B1 TYR 165 HB3 0.02 0.17 0.27 -0.04 2.98 3.40 2rh5B1 TYR 165 HD2 0.03 0.04 -0.04 -0.04 7.15 7.15 2rh5B1 TYR 165 HE2 0.05 -0.00 -0.12 -0.04 6.85 6.74 2rh5B1 ARG 166 H 0.12 0.59 -0.00 -0.55 8.46 8.61 2rh5B1 ARG 166 HA -0.15 -0.01 0.51 -0.75 4.34 3.93 2rh5B1 ARG 166 HB2 0.03 0.12 0.20 -0.04 1.90 2.21 2rh5B1 ARG 166 HB3 0.02 -0.06 0.05 -0.04 1.80 1.76 2rh5B1 ARG 166 HG2 0.19 0.22 0.10 -0.04 1.67 2.13 2rh5B1 ARG 166 HG3 0.08 -0.06 0.04 -0.04 1.67 1.69 2rh5B1 ARG 166 HD2 0.09 -0.03 0.03 -0.04 3.22 3.27 2rh5B1 ARG 166 HD3 0.21 -0.02 0.01 -0.04 3.22 3.39 2rh5B1 GLU 167 H -0.02 0.47 0.02 -0.55 8.60 8.52 2rh5B1 GLU 167 HA -0.04 0.05 0.51 -0.75 4.29 4.06 2rh5B1 GLU 167 HB2 -0.02 -0.02 0.09 -0.04 2.09 2.10 2rh5B1 GLU 167 HB3 -0.01 -0.02 0.08 -0.04 1.99 2.00 2rh5B1 GLU 167 HG2 0.00 0.05 0.02 -0.04 2.34 2.38 2rh5B1 GLU 167 HG3 -0.02 0.08 -0.03 -0.04 2.34 2.34 2rh5B1 GLN 168 H -0.08 0.53 -0.14 -0.55 8.47 8.24 2rh5B1 GLN 168 HA -0.06 0.01 0.64 -0.75 4.36 4.20 2rh5B1 GLN 168 HB2 -0.03 -0.05 0.15 -0.04 2.15 2.18 2rh5B1 GLN 168 HB3 -0.08 0.11 0.24 -0.04 2.02 2.26 2rh5B1 GLN 168 HG2 -0.05 0.01 -0.06 -0.04 2.40 2.25 2rh5B1 GLN 168 HG3 -0.05 -0.01 0.06 -0.04 2.39 2.35 2rh5B1 GLN 168 HE21 0.01 -0.06 -0.01 -0.04 6.97 6.87 2rh5B1 GLN 168 HE22 -0.02 0.06 -0.03 -0.04 7.69 7.66 2rh5B1 THR 169 H -0.29 0.53 -0.06 -0.55 8.28 7.91 2rh5B1 THR 169 HA -0.15 0.06 0.45 -0.75 4.39 4.00 2rh5B1 THR 169 HB -0.58 0.08 0.11 -0.04 4.32 3.89 2rh5B1 THR 169 HG23 -0.09 -0.04 -0.09 -0.04 1.22 0.95 2rh5B1 ALA 170 H -0.13 0.53 -0.08 -0.55 8.40 8.17 2rh5B1 ALA 170 HA -0.05 -0.05 0.37 -0.75 4.34 3.86 2rh5B1 ALA 170 HB3 -0.04 0.04 0.09 -0.04 1.41 1.46 2rh5B1 PRO 171 HA -0.03 0.05 0.55 -0.51 4.44 4.50 2rh5B1 PRO 171 HB2 -0.08 -0.02 0.02 -0.04 2.28 2.17 2rh5B1 PRO 171 HB3 -0.05 -0.02 0.09 -0.04 2.02 2.01 2rh5B1 PRO 171 HG2 -0.05 0.08 0.10 -0.04 2.03 2.12 2rh5B1 PRO 171 HG3 -0.04 0.01 0.08 -0.04 2.03 2.04 2rh5B1 PRO 171 HD2 -0.07 0.34 -0.35 -0.04 3.68 3.55 2rh5B1 PRO 171 HD3 -0.05 0.15 0.03 -0.04 3.65 3.73 2rh5B1 LEU 172 H -0.08 0.43 -0.22 -0.55 8.37 7.96 2rh5B1 LEU 172 HA -0.16 -0.03 0.35 -0.75 4.35 3.76 2rh5B1 LEU 172 HB2 -0.11 0.00 -0.08 -0.04 1.64 1.41 2rh5B1 LEU 172 HB3 -0.04 0.14 -0.01 -0.04 1.64 1.69 2rh5B1 LEU 172 HG 0.04 0.01 -0.17 -0.04 1.64 1.48 2rh5B1 LEU 172 HD13 -0.33 -0.04 -0.23 -0.04 0.93 0.29 2rh5B1 LEU 172 HD23 -0.00 -0.01 -0.31 -0.04 0.89 0.52 2rh5B1 ILE 173 H -0.01 0.49 -0.17 -0.55 8.25 8.01 2rh5B1 ILE 173 HA 0.11 0.05 0.53 -0.75 4.18 4.12 2rh5B1 ILE 173 HB 0.01 0.15 0.09 -0.04 1.89 2.10 2rh5B1 ILE 173 HG12 0.07 -0.02 -0.09 -0.04 1.49 1.41 2rh5B1 ILE 173 HG13 0.02 0.05 -0.12 -0.04 1.21 1.12 2rh5B1 ILE 173 HG23 0.04 -0.01 -0.12 -0.04 0.93 0.80 2rh5B1 ILE 173 HD13 0.01 -0.01 -0.14 -0.04 0.88 0.69 2rh5B1 GLU 174 H 0.00 0.53 -0.08 -0.55 8.60 8.51 2rh5B1 GLU 174 HA 0.01 -0.00 0.40 -0.75 4.29 3.94 2rh5B1 GLU 174 HB2 -0.00 0.11 0.21 -0.04 2.09 2.36 2rh5B1 GLU 174 HB3 0.01 0.07 0.08 -0.04 1.99 2.11 2rh5B1 GLU 174 HG2 -0.00 -0.01 0.02 -0.04 2.34 2.30 2rh5B1 GLU 174 HG3 -0.01 -0.03 0.08 -0.04 2.34 2.34 2rh5B1 TYR 175 H 0.05 0.38 -0.30 -0.55 8.29 7.86 2rh5B1 TYR 175 HA -0.11 0.05 0.37 -0.75 4.56 4.12 2rh5B1 TYR 175 HB2 -0.21 -0.00 0.09 -0.04 3.06 2.90 2rh5B1 TYR 175 HB3 -0.47 0.11 0.08 -0.04 2.98 2.66 2rh5B1 TYR 175 HD2 -0.65 0.01 -0.12 -0.04 7.15 6.35 2rh5B1 TYR 175 HE2 -0.10 0.00 -0.08 -0.04 6.85 6.63 2rh5B1 TYR 176 H 0.07 0.36 -0.22 -0.55 8.29 7.94 2rh5B1 TYR 176 HA -0.02 0.18 0.47 -0.75 4.56 4.44 2rh5B1 TYR 176 HB2 0.06 0.07 0.04 -0.04 3.06 3.20 2rh5B1 TYR 176 HB3 0.05 -0.08 -0.03 -0.04 2.98 2.88 2rh5B1 TYR 176 HD2 0.08 0.05 -0.10 -0.04 7.15 7.14 2rh5B1 TYR 176 HE2 0.10 -0.01 -0.10 -0.04 6.85 6.80 2rh5B1 LYS 177 H 0.06 0.40 -0.31 -0.55 8.42 8.02 2rh5B1 LYS 177 HA 0.04 -0.02 0.77 -0.75 4.32 4.36 2rh5B1 LYS 177 HB2 0.04 0.06 0.08 -0.04 1.87 2.00 2rh5B1 LYS 177 HB3 0.02 0.05 0.10 -0.04 1.79 1.91 2rh5B1 LYS 177 HG2 0.01 -0.00 -0.07 -0.04 1.46 1.35 2rh5B1 LYS 177 HG3 0.02 -0.02 0.12 -0.04 1.46 1.53 2rh5B1 LYS 177 HD2 0.02 -0.01 -0.02 -0.04 1.69 1.63 2rh5B1 LYS 177 HD3 0.01 -0.01 -0.03 -0.04 1.68 1.61 2rh5B1 LYS 177 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 2rh5B1 LYS 177 HE3 0.00 0.01 0.02 -0.04 2.99 2.99 2rh5B1 LYS 178 H -0.03 0.53 -0.08 -0.55 8.42 8.29 2rh5B1 LYS 178 HA -0.04 0.03 0.63 -0.75 4.32 4.19 2rh5B1 LYS 178 HB2 -0.13 0.12 0.25 -0.04 1.87 2.07 2rh5B1 LYS 178 HB3 -0.08 -0.04 0.17 -0.04 1.79 1.80 2rh5B1 LYS 178 HG2 -0.03 -0.06 0.06 -0.04 1.46 1.39 2rh5B1 LYS 178 HG3 -0.03 0.10 0.14 -0.04 1.46 1.63 2rh5B1 LYS 178 HD2 -0.06 0.02 0.01 -0.04 1.69 1.62 2rh5B1 LYS 178 HD3 -0.05 -0.03 0.04 -0.04 1.68 1.60 2rh5B1 LYS 178 HE2 -0.02 -0.02 0.02 -0.04 2.99 2.92 2rh5B1 LYS 178 HE3 -0.02 -0.02 0.01 -0.04 2.99 2.92 2rh5B1 LYS 179 H -0.02 0.20 -0.21 -0.55 8.42 7.85 2rh5B1 LYS 179 HA -0.04 0.02 0.34 -0.75 4.32 3.89 2rh5B1 LYS 179 HB2 0.01 -0.04 -0.46 -0.04 1.87 1.34 2rh5B1 LYS 179 HB3 0.03 -0.01 -0.10 -0.04 1.79 1.66 2rh5B1 LYS 179 HG2 -0.07 -0.09 0.14 -0.04 1.46 1.40 2rh5B1 LYS 179 HG3 -0.19 0.43 0.27 -0.04 1.46 1.92 2rh5B1 LYS 179 HD2 -0.19 0.04 -0.07 -0.04 1.69 1.43 2rh5B1 LYS 179 HD3 0.10 -0.03 -0.04 -0.04 1.68 1.67 2rh5B1 LYS 179 HE2 -0.02 -0.00 0.01 -0.04 2.99 2.94 2rh5B1 LYS 179 HE3 -0.21 -0.01 0.01 -0.04 2.99 2.74 2rh5B1 GLY 180 H 0.01 0.20 0.14 -0.55 8.43 8.24 2rh5B1 GLY 180 HA2 0.02 0.00 0.45 -0.51 4.01 3.97 2rh5B1 GLY 180 HA3 0.01 0.04 0.49 -0.51 4.01 4.04 2rh5B1 ILE 181 H 0.05 0.21 0.10 -0.55 8.25 8.05 2rh5B1 ILE 181 HA 0.06 0.28 0.84 -0.75 4.18 4.60 2rh5B1 ILE 181 HB -0.03 -0.11 0.08 -0.04 1.89 1.78 2rh5B1 ILE 181 HG12 0.08 0.02 -0.09 -0.04 1.49 1.46 2rh5B1 ILE 181 HG13 0.00 -0.11 -0.16 -0.04 1.21 0.91 2rh5B1 ILE 181 HG23 -0.03 0.08 -0.10 -0.04 0.93 0.84 2rh5B1 ILE 181 HD13 0.06 -0.01 -0.11 -0.04 0.88 0.78 2rh5B1 LEU 182 H 0.05 0.05 0.15 -0.55 8.37 8.07 2rh5B1 LEU 182 HA 0.02 0.17 0.56 -0.75 4.35 4.34 2rh5B1 LEU 182 HB2 0.10 -0.01 -0.17 -0.04 1.64 1.51 2rh5B1 LEU 182 HB3 0.04 -0.04 0.12 -0.04 1.64 1.71 2rh5B1 LEU 182 HG 0.02 0.05 -0.23 -0.04 1.64 1.43 2rh5B1 LEU 182 HD13 0.10 0.00 -0.07 -0.04 0.93 0.92 2rh5B1 LEU 182 HD23 0.03 -0.02 -0.08 -0.04 0.89 0.78 2rh5B1 ARG 183 H -0.03 0.84 0.44 -0.55 8.46 9.15 2rh5B1 ARG 183 HA -0.06 0.14 0.92 -0.75 4.34 4.58 2rh5B1 ARG 183 HB2 -0.14 -0.11 0.06 -0.04 1.90 1.66 2rh5B1 ARG 183 HB3 -0.13 0.01 0.01 -0.04 1.80 1.65 2rh5B1 ARG 183 HG2 0.02 0.16 -0.07 -0.04 1.67 1.74 2rh5B1 ARG 183 HG3 -0.14 -0.02 -0.08 -0.04 1.67 1.39 2rh5B1 ARG 183 HD2 -0.10 0.01 -0.05 -0.04 3.22 3.04 2rh5B1 ARG 183 HD3 -0.03 0.00 -0.15 -0.04 3.22 3.00 2rh5B1 ILE 184 H -0.08 0.19 0.12 -0.55 8.25 7.94 2rh5B1 ILE 184 HA -0.11 0.12 0.80 -0.75 4.18 4.23 2rh5B1 ILE 184 HB -0.05 0.01 0.14 -0.04 1.89 1.94 2rh5B1 ILE 184 HG12 -0.02 -0.03 -0.05 -0.04 1.49 1.35 2rh5B1 ILE 184 HG13 -0.03 -0.02 -0.19 -0.04 1.21 0.93 2rh5B1 ILE 184 HG23 -0.04 -0.02 -0.14 -0.04 0.93 0.68 2rh5B1 ILE 184 HD13 -0.01 0.01 -0.01 -0.04 0.88 0.82 2rh5B1 ILE 185 H -0.26 0.94 0.49 -0.55 8.25 8.87 2rh5B1 ILE 185 HA -0.20 0.14 0.91 -0.75 4.18 4.28 2rh5B1 ILE 185 HB -0.89 0.05 0.08 -0.04 1.89 1.09 2rh5B1 ILE 185 HG12 -0.51 0.04 -0.23 -0.04 1.49 0.75 2rh5B1 ILE 185 HG13 -0.67 -0.02 -0.14 -0.04 1.21 0.34 2rh5B1 ILE 185 HG23 -0.30 -0.03 -0.21 -0.04 0.93 0.36 2rh5B1 ILE 185 HD13 -0.23 0.04 -0.20 -0.04 0.88 0.45 2rh5B1 ASP 186 H -0.09 0.20 0.11 -0.55 8.40 8.07 2rh5B1 ASP 186 HA -0.02 0.17 0.86 -0.75 4.63 4.89 2rh5B1 ASP 186 HB2 -0.03 0.06 0.09 -0.04 2.71 2.78 2rh5B1 ASP 186 HB3 -0.03 0.01 0.23 -0.04 2.70 2.87 2rh5B1 ALA 187 H 0.03 0.65 0.19 -0.55 8.40 8.73 2rh5B1 ALA 187 HA 0.11 0.07 0.34 -0.75 4.34 4.11 2rh5B1 ALA 187 HB3 0.18 0.04 -0.06 -0.04 1.41 1.54 2rh5B1 SER 188 H 0.02 0.04 -0.28 -0.55 8.46 7.70 2rh5B1 SER 188 HA 0.02 0.12 0.55 -0.75 4.49 4.43 2rh5B1 SER 188 HB2 0.02 -0.03 0.10 -0.04 3.95 3.99 2rh5B1 SER 188 HB3 0.02 -0.06 0.11 -0.04 3.93 3.96 2rh5B1 LYS 189 H 0.01 0.19 -0.25 -0.55 8.42 7.81 2rh5B1 LYS 189 HA -0.01 0.04 0.44 -0.75 4.32 4.04 2rh5B1 LYS 189 HB2 0.01 0.01 -0.02 -0.04 1.87 1.82 2rh5B1 LYS 189 HB3 -0.00 -0.04 0.09 -0.04 1.79 1.80 2rh5B1 LYS 189 HG2 -0.00 -0.07 0.06 -0.04 1.46 1.41 2rh5B1 LYS 189 HG3 -0.01 0.00 0.04 -0.04 1.46 1.45 2rh5B1 LYS 189 HD2 -0.01 -0.00 0.01 -0.04 1.69 1.65 2rh5B1 LYS 189 HD3 -0.01 0.01 0.03 -0.04 1.68 1.67 2rh5B1 LYS 189 HE2 -0.00 0.04 -0.09 -0.04 2.99 2.90 2rh5B1 LYS 189 HE3 -0.00 -0.06 -0.05 -0.04 2.99 2.83 2rh5B1 PRO 190 HA -0.05 0.14 0.51 -0.51 4.44 4.53 2rh5B1 PRO 190 HB2 -0.03 -0.11 -0.00 -0.04 2.28 2.10 2rh5B1 PRO 190 HB3 -0.06 0.10 0.14 -0.04 2.02 2.17 2rh5B1 PRO 190 HG2 -0.01 -0.07 0.10 -0.04 2.03 2.00 2rh5B1 PRO 190 HG3 -0.02 0.10 0.09 -0.04 2.03 2.16 2rh5B1 PRO 190 HD2 -0.01 0.05 0.25 -0.04 3.68 3.92 2rh5B1 PRO 190 HD3 -0.03 0.20 0.18 -0.04 3.65 3.96 2rh5B1 VAL 191 H -0.04 0.18 0.15 -0.55 8.24 7.97 2rh5B1 VAL 191 HA 0.02 0.15 0.18 -0.75 4.13 3.73 2rh5B1 VAL 191 HB -0.03 -0.02 0.09 -0.04 2.12 2.12 2rh5B1 VAL 191 HG13 -0.01 0.01 -0.08 -0.04 0.97 0.84 2rh5B1 VAL 191 HG23 -0.04 0.02 0.07 -0.04 0.95 0.96 2rh5B1 GLU 192 H -0.00 0.07 -0.27 -0.55 8.60 7.85 2rh5B1 GLU 192 HA 0.06 0.10 0.34 -0.75 4.29 4.03 2rh5B1 GLU 192 HB2 -0.00 -0.02 0.06 -0.04 2.09 2.09 2rh5B1 GLU 192 HB3 0.02 0.03 -0.05 -0.04 1.99 1.95 2rh5B1 GLU 192 HG2 0.01 0.03 -0.01 -0.04 2.34 2.33 2rh5B1 GLU 192 HG3 0.04 0.02 -0.01 -0.04 2.34 2.36 2rh5B1 GLU 193 H 0.02 0.27 -0.18 -0.55 8.60 8.17 2rh5B1 GLU 193 HA 0.02 0.06 0.46 -0.75 4.29 4.09 2rh5B1 GLU 193 HB2 0.01 0.13 0.04 -0.04 2.09 2.22 2rh5B1 GLU 193 HB3 0.00 -0.01 0.02 -0.04 1.99 1.96 2rh5B1 GLU 193 HG2 0.00 -0.09 0.02 -0.04 2.34 2.23 2rh5B1 GLU 193 HG3 -0.00 0.01 0.06 -0.04 2.34 2.37 2rh5B1 VAL 194 H 0.05 0.41 -0.26 -0.55 8.24 7.88 2rh5B1 VAL 194 HA 0.02 0.01 0.32 -0.75 4.13 3.72 2rh5B1 VAL 194 HB 0.13 -0.07 -0.06 -0.04 2.12 2.08 2rh5B1 VAL 194 HG13 0.05 0.10 -0.09 -0.04 0.97 0.99 2rh5B1 VAL 194 HG23 0.12 0.03 -0.09 -0.04 0.95 0.98 2rh5B1 TYR 195 H 0.18 0.40 -0.27 -0.55 8.29 8.04 2rh5B1 TYR 195 HA 0.06 0.03 0.51 -0.75 4.56 4.41 2rh5B1 TYR 195 HB2 0.03 0.02 0.06 -0.04 3.06 3.13 2rh5B1 TYR 195 HB3 0.01 0.11 0.06 -0.04 2.98 3.12 2rh5B1 TYR 195 HD2 0.04 -0.00 -0.06 -0.04 7.15 7.08 2rh5B1 TYR 195 HE2 0.03 0.01 -0.06 -0.04 6.85 6.78 2rh5B1 ARG 196 H 0.07 0.35 -0.26 -0.55 8.46 8.07 2rh5B1 ARG 196 HA -0.09 0.04 0.48 -0.75 4.34 4.01 2rh5B1 ARG 196 HB2 0.03 0.09 0.18 -0.04 1.90 2.16 2rh5B1 ARG 196 HB3 -0.01 0.10 0.15 -0.04 1.80 2.00 2rh5B1 ARG 196 HG2 -0.03 -0.01 -0.08 -0.04 1.67 1.51 2rh5B1 ARG 196 HG3 -0.02 -0.01 0.04 -0.04 1.67 1.64 2rh5B1 ARG 196 HD2 -0.00 -0.02 0.00 -0.04 3.22 3.16 2rh5B1 ARG 196 HD3 -0.00 -0.01 -0.02 -0.04 3.22 3.15 2rh5B1 GLN 197 H -0.04 0.49 -0.09 -0.55 8.47 8.29 2rh5B1 GLN 197 HA -0.08 0.02 0.34 -0.75 4.36 3.88 2rh5B1 GLN 197 HB2 -0.09 0.17 0.12 -0.04 2.15 2.31 2rh5B1 GLN 197 HB3 -0.12 -0.03 0.03 -0.04 2.02 1.85 2rh5B1 GLN 197 HG2 -0.06 -0.02 0.05 -0.04 2.40 2.33 2rh5B1 GLN 197 HG3 -0.04 0.22 0.04 -0.04 2.39 2.57 2rh5B1 GLN 197 HE21 -0.03 0.23 0.10 -0.04 6.97 7.24 2rh5B1 GLN 197 HE22 -0.01 -0.03 -0.25 -0.04 7.69 7.35 2rh5B1 VAL 198 H -0.12 0.33 -0.43 -0.55 8.24 7.47 2rh5B1 VAL 198 HA -0.16 0.01 0.38 -0.75 4.13 3.61 2rh5B1 VAL 198 HB -0.20 0.16 0.12 -0.04 2.12 2.16 2rh5B1 VAL 198 HG13 0.01 -0.01 -0.15 -0.04 0.97 0.78 2rh5B1 VAL 198 HG23 0.01 0.06 0.00 -0.04 0.95 0.99 2rh5B1 LEU 199 H -0.29 0.45 -0.05 -0.55 8.37 7.94 2rh5B1 LEU 199 HA -0.13 0.00 0.32 -0.75 4.35 3.79 2rh5B1 LEU 199 HB2 -0.16 0.10 0.08 -0.04 1.64 1.62 2rh5B1 LEU 199 HB3 -0.11 -0.03 0.07 -0.04 1.64 1.53 2rh5B1 LEU 199 HG -0.69 0.17 0.11 -0.04 1.64 1.18 2rh5B1 LEU 199 HD13 -0.14 -0.03 -0.03 -0.04 0.93 0.68 2rh5B1 LEU 199 HD23 -0.18 -0.02 -0.01 -0.04 0.89 0.64 2rh5B1 GLU 200 H -0.12 0.26 -0.71 -0.55 8.60 7.48 2rh5B1 GLU 200 HA -0.07 0.04 0.47 -0.75 4.29 3.98 2rh5B1 GLU 200 HB2 -0.08 0.04 0.03 -0.04 2.09 2.05 2rh5B1 GLU 200 HB3 -0.09 0.11 0.11 -0.04 1.99 2.08 2rh5B1 GLU 200 HG2 -0.06 -0.00 -0.09 -0.04 2.34 2.15 2rh5B1 GLU 200 HG3 -0.05 -0.01 0.02 -0.04 2.34 2.26 2rh5B1 VAL 201 H -0.13 0.37 0.03 -0.55 8.24 7.96 2rh5B1 VAL 201 HA -0.15 0.04 0.43 -0.75 4.13 3.70 2rh5B1 VAL 201 HB -0.29 -0.01 0.02 -0.04 2.12 1.80 2rh5B1 VAL 201 HG13 -0.15 -0.00 0.01 -0.04 0.97 0.79 2rh5B1 VAL 201 HG23 -0.19 0.02 -0.01 -0.04 0.95 0.73 2rh5B1 ILE 202 H -0.12 0.36 -0.38 -0.55 8.25 7.55 2rh5B1 ILE 202 HA -0.10 0.16 0.53 -0.75 4.18 4.01 2rh5B1 ILE 202 HB -0.04 -0.06 -0.09 -0.04 1.89 1.66 2rh5B1 ILE 202 HG12 0.10 0.01 -0.01 -0.04 1.49 1.55 2rh5B1 ILE 202 HG13 0.12 0.01 -0.02 -0.04 1.21 1.28 2rh5B1 ILE 202 HG23 -0.03 0.05 -0.05 -0.04 0.93 0.86 2rh5B1 ILE 202 HD13 0.14 -0.01 -0.09 -0.04 0.88 0.88