============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 2 0.840 4.993 -8.123 -3.828 -99.200 -91.000 TRP 19 1.040 2.366 -8.158 -21.941 -99.200 -91.000 TRP6 19 1.020 2.950 -9.777 -20.307 -99.200 -91.000 TYR 20 0.840 -4.846 -10.078 -24.616 -99.200 -91.000 TYR 42 0.840 -11.463 -1.136 -21.104 -99.200 -91.000 TRP 61 1.040 -15.224 7.933 -26.918 -99.200 -91.000 TRP6 61 1.020 -16.976 8.856 -25.608 -99.200 -91.000 PHE 82 1.000 9.887 0.715 -17.358 -99.200 -91.000 TYR 99 0.840 10.102 -12.020 -16.810 -99.200 -91.000 TYR 102 0.840 1.491 -13.238 -12.997 -99.200 -91.000 PHE 105 1.000 0.444 -1.373 -15.591 -99.200 -91.000 PHE 136 1.000 -5.350 -6.338 -8.617 -99.200 -91.000 HIS 146 0.900 -10.184 6.649 -1.294 -99.200 -91.000 PHE 151 1.000 -12.194 -5.001 -16.852 -99.200 -91.000 HIS 161 0.900 -13.734 -3.287 -31.055 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dv9A8 ALA 1 HA 0.04 -0.08 0.13 -0.75 4.34 3.68 1dv9A8 ALA 1 HB3 -0.09 -0.02 0.02 -0.04 1.41 1.28 1dv9A8 TYR 2 H -0.33 0.15 0.07 -0.55 8.29 7.63 1dv9A8 TYR 2 HA -0.01 0.26 0.82 -0.75 4.56 4.87 1dv9A8 TYR 2 HB2 -0.02 -0.26 -0.09 -0.04 3.06 2.66 1dv9A8 TYR 2 HB3 -0.02 0.17 -0.18 -0.04 2.98 2.91 1dv9A8 TYR 2 HD2 -0.01 -0.10 -0.41 -0.04 7.15 6.58 1dv9A8 TYR 2 HE2 -0.01 0.04 -0.18 -0.04 6.85 6.66 1dv9A8 VAL 3 H 0.15 0.03 0.09 -0.55 8.24 7.97 1dv9A8 VAL 3 HA -0.03 0.26 0.88 -0.75 4.13 4.49 1dv9A8 VAL 3 HB 0.04 -0.05 0.00 -0.04 2.12 2.07 1dv9A8 VAL 3 HG13 0.00 0.01 0.02 -0.04 0.97 0.96 1dv9A8 VAL 3 HG23 0.00 0.03 -0.18 -0.04 0.95 0.76 1dv9A8 THR 4 H 0.19 -0.17 0.06 -0.55 8.28 7.81 1dv9A8 THR 4 HA 0.11 0.27 0.70 -0.75 4.39 4.72 1dv9A8 THR 4 HB 0.02 -0.02 -0.06 -0.04 4.32 4.23 1dv9A8 THR 4 HG23 0.03 0.03 -0.01 -0.04 1.22 1.23 1dv9A8 GLN 5 H 0.05 -0.05 0.12 -0.55 8.47 8.04 1dv9A8 GLN 5 HA -0.24 0.10 0.35 -0.75 4.36 3.81 1dv9A8 GLN 5 HB2 -0.09 -0.04 -0.11 -0.04 2.15 1.87 1dv9A8 GLN 5 HB3 -0.11 0.32 0.22 -0.04 2.02 2.41 1dv9A8 GLN 5 HG2 -0.02 -0.25 -0.38 -0.04 2.40 1.72 1dv9A8 GLN 5 HG3 -0.03 -0.02 -0.20 -0.04 2.39 2.10 1dv9A8 GLN 5 HE21 -0.02 -0.02 -0.09 -0.04 6.97 6.80 1dv9A8 GLN 5 HE22 -0.03 0.49 -0.18 -0.04 7.69 7.93 1dv9A8 THR 6 H -0.01 0.01 0.10 -0.55 8.28 7.84 1dv9A8 THR 6 HA -0.03 0.10 0.48 -0.75 4.39 4.19 1dv9A8 THR 6 HB -0.00 0.03 0.21 -0.04 4.32 4.52 1dv9A8 THR 6 HG23 -0.03 0.00 0.03 -0.04 1.22 1.18 1dv9A8 MET 7 H -0.03 0.80 0.62 -0.55 8.47 9.31 1dv9A8 MET 7 HA 0.02 0.04 0.37 -0.75 4.52 4.20 1dv9A8 MET 7 HB2 -0.05 0.27 -0.01 -0.04 2.15 2.32 1dv9A8 MET 7 HB3 -0.02 -0.20 0.08 -0.04 2.03 1.84 1dv9A8 MET 7 HG2 -0.05 -0.19 -0.14 -0.04 2.63 2.20 1dv9A8 MET 7 HG3 -0.01 0.28 -0.38 -0.04 2.56 2.41 1dv9A8 MET 7 HE3 -0.07 -0.03 0.03 -0.04 2.10 1.99 1dv9A8 LYS 8 H -0.02 -0.08 -0.23 -0.55 8.42 7.53 1dv9A8 LYS 8 HA -0.03 -0.21 0.34 -0.75 4.32 3.68 1dv9A8 LYS 8 HB2 -0.01 -0.04 -0.06 -0.04 1.87 1.72 1dv9A8 LYS 8 HB3 0.00 0.36 -0.04 -0.04 1.79 2.07 1dv9A8 LYS 8 HG2 -0.00 0.07 -0.12 -0.04 1.46 1.37 1dv9A8 LYS 8 HG3 -0.01 -0.18 0.11 -0.04 1.46 1.34 1dv9A8 LYS 8 HD2 -0.01 -0.06 0.02 -0.04 1.69 1.60 1dv9A8 LYS 8 HD3 -0.00 0.07 0.00 -0.04 1.68 1.71 1dv9A8 LYS 8 HE2 0.00 0.01 -0.02 -0.04 2.99 2.95 1dv9A8 LYS 8 HE3 -0.00 -0.04 0.01 -0.04 2.99 2.91 1dv9A8 GLY 9 H -0.01 0.01 0.14 -0.55 8.43 8.02 1dv9A8 GLY 9 HA2 0.01 -0.05 0.37 -0.51 4.01 3.83 1dv9A8 GLY 9 HA3 0.02 0.12 0.40 -0.51 4.01 4.03 1dv9A8 LEU 10 H 0.02 0.07 -0.06 -0.55 8.37 7.85 1dv9A8 LEU 10 HA 0.12 0.15 0.65 -0.75 4.35 4.51 1dv9A8 LEU 10 HB2 0.02 0.25 -0.30 -0.04 1.64 1.56 1dv9A8 LEU 10 HB3 0.03 -0.10 -0.22 -0.04 1.64 1.31 1dv9A8 LEU 10 HG 0.21 0.02 -0.47 -0.04 1.64 1.35 1dv9A8 LEU 10 HD13 -0.14 0.00 -0.07 -0.04 0.93 0.68 1dv9A8 LEU 10 HD23 0.05 -0.02 -0.27 -0.04 0.89 0.61 1dv9A8 ASP 11 H 0.17 0.22 0.02 -0.55 8.40 8.27 1dv9A8 ASP 11 HA 0.07 0.09 0.54 -0.75 4.63 4.57 1dv9A8 ASP 11 HB2 0.04 0.06 0.17 -0.04 2.71 2.94 1dv9A8 ASP 11 HB3 0.02 -0.09 0.06 -0.04 2.70 2.65 1dv9A8 ILE 12 H 0.11 0.31 0.23 -0.55 8.25 8.35 1dv9A8 ILE 12 HA 0.11 0.07 0.22 -0.75 4.18 3.83 1dv9A8 ILE 12 HB 0.37 0.09 0.08 -0.04 1.89 2.39 1dv9A8 ILE 12 HG12 -0.09 0.07 -0.13 -0.04 1.49 1.29 1dv9A8 ILE 12 HG13 -0.05 -0.02 -0.22 -0.04 1.21 0.87 1dv9A8 ILE 12 HG23 0.13 0.01 -0.06 -0.04 0.93 0.97 1dv9A8 ILE 12 HD13 -0.18 0.00 -0.09 -0.04 0.88 0.58 1dv9A8 GLN 13 H 0.06 0.06 -0.32 -0.55 8.47 7.71 1dv9A8 GLN 13 HA 0.03 0.15 0.27 -0.75 4.36 4.05 1dv9A8 GLN 13 HB2 0.02 -0.10 -0.01 -0.04 2.15 2.02 1dv9A8 GLN 13 HB3 0.01 0.04 -0.12 -0.04 2.02 1.91 1dv9A8 GLN 13 HG2 0.01 0.06 -0.04 -0.04 2.40 2.39 1dv9A8 GLN 13 HG3 0.02 0.06 -0.16 -0.04 2.39 2.27 1dv9A8 GLN 13 HE21 0.01 -0.00 -0.05 -0.04 6.97 6.89 1dv9A8 GLN 13 HE22 0.01 0.00 -0.03 -0.04 7.69 7.63 1dv9A8 LYS 14 H 0.02 0.27 -0.46 -0.55 8.42 7.70 1dv9A8 LYS 14 HA -0.06 0.03 0.34 -0.75 4.32 3.87 1dv9A8 LYS 14 HB2 -0.11 0.24 0.07 -0.04 1.87 2.02 1dv9A8 LYS 14 HB3 -0.68 -0.04 0.03 -0.04 1.79 1.06 1dv9A8 LYS 14 HG2 -0.15 -0.05 0.03 -0.04 1.46 1.25 1dv9A8 LYS 14 HG3 -0.23 -0.08 0.08 -0.04 1.46 1.18 1dv9A8 LYS 14 HD2 -0.26 -0.02 0.02 -0.04 1.69 1.39 1dv9A8 LYS 14 HD3 -0.97 -0.01 0.02 -0.04 1.68 0.69 1dv9A8 LYS 14 HE2 -0.27 0.01 0.05 -0.04 2.99 2.74 1dv9A8 LYS 14 HE3 -0.19 0.03 0.09 -0.04 2.99 2.88 1dv9A8 VAL 15 H 0.09 0.63 -0.64 -0.55 8.24 7.77 1dv9A8 VAL 15 HA 0.53 0.06 0.56 -0.75 4.13 4.53 1dv9A8 VAL 15 HB -0.13 0.07 0.05 -0.04 2.12 2.07 1dv9A8 VAL 15 HG13 -0.98 -0.03 -0.05 -0.04 0.97 -0.13 1dv9A8 VAL 15 HG23 0.04 -0.03 -0.11 -0.04 0.95 0.81 1dv9A8 ALA 16 H 0.18 0.28 -0.67 -0.55 8.40 7.64 1dv9A8 ALA 16 HA 0.17 0.28 0.85 -0.75 4.34 4.88 1dv9A8 ALA 16 HB3 0.06 -0.00 0.21 -0.04 1.41 1.64 1dv9A8 GLY 17 H 0.48 0.49 0.16 -0.55 8.43 9.02 1dv9A8 GLY 17 HA2 -0.05 0.06 0.47 -0.51 4.01 3.98 1dv9A8 GLY 17 HA3 -0.20 0.01 0.28 -0.51 4.01 3.60 1dv9A8 THR 18 H -0.36 0.13 0.13 -0.55 8.28 7.64 1dv9A8 THR 18 HA -0.25 0.08 0.77 -0.75 4.39 4.23 1dv9A8 THR 18 HB -0.50 0.08 0.00 -0.04 4.32 3.86 1dv9A8 THR 18 HG23 -0.08 0.01 0.00 -0.04 1.22 1.11 1dv9A8 TRP 19 H -0.13 0.37 0.30 -0.55 7.97 7.96 1dv9A8 TRP 19 HA -0.24 0.07 0.72 -0.75 4.62 4.42 1dv9A8 TRP 19 HB2 -0.09 -0.00 -0.14 -0.04 3.23 2.96 1dv9A8 TRP 19 HB3 -0.03 -0.09 -0.21 -0.04 3.23 2.86 1dv9A8 TRP 19 HD1 -0.09 0.07 -0.06 -0.04 7.22 7.11 1dv9A8 TRP 19 HE1 -0.03 0.06 -0.33 -0.04 10.20 9.85 1dv9A8 TRP 19 HE3 0.05 -0.05 -0.39 -0.04 7.59 7.15 1dv9A8 TRP 19 HZ2 0.06 0.07 -0.12 -0.04 7.44 7.40 1dv9A8 TRP 19 HZ3 0.10 -0.17 -0.32 -0.04 7.13 6.70 1dv9A8 TRP 19 HH2 0.12 -0.06 -0.13 -0.04 7.19 7.08 1dv9A8 TYR 20 H 0.06 0.30 0.01 -0.55 8.29 8.11 1dv9A8 TYR 20 HA 0.09 0.32 0.87 -0.75 4.56 5.08 1dv9A8 TYR 20 HB2 0.03 0.00 -0.03 -0.04 3.06 3.02 1dv9A8 TYR 20 HB3 0.01 0.02 0.05 -0.04 2.98 3.02 1dv9A8 TYR 20 HD2 0.00 0.08 -0.07 -0.04 7.15 7.12 1dv9A8 TYR 20 HE2 -0.05 0.06 0.02 -0.04 6.85 6.83 1dv9A8 SER 21 H 0.12 0.27 0.14 -0.55 8.46 8.44 1dv9A8 SER 21 HA 0.06 0.17 0.71 -0.75 4.49 4.67 1dv9A8 SER 21 HB2 -0.09 0.03 0.19 -0.04 3.95 4.04 1dv9A8 SER 21 HB3 -0.19 -0.03 -0.06 -0.04 3.93 3.61 1dv9A8 LEU 22 H 0.03 0.39 0.37 -0.55 8.37 8.61 1dv9A8 LEU 22 HA 0.09 0.19 0.91 -0.75 4.35 4.78 1dv9A8 LEU 22 HB2 0.08 0.03 -0.08 -0.04 1.64 1.62 1dv9A8 LEU 22 HB3 0.02 0.01 -0.01 -0.04 1.64 1.62 1dv9A8 LEU 22 HG 0.03 0.03 0.05 -0.04 1.64 1.71 1dv9A8 LEU 22 HD13 0.05 0.00 -0.02 -0.04 0.93 0.92 1dv9A8 LEU 22 HD23 -0.01 -0.02 -0.12 -0.04 0.89 0.69 1dv9A8 ALA 23 H -0.04 0.22 0.30 -0.55 8.40 8.34 1dv9A8 ALA 23 HA 0.03 0.09 0.66 -0.75 4.34 4.36 1dv9A8 ALA 23 HB3 -0.68 0.03 0.06 -0.04 1.41 0.78 1dv9A8 MET 24 H 0.01 0.41 0.19 -0.55 8.47 8.53 1dv9A8 MET 24 HA 0.09 0.17 1.04 -0.75 4.52 5.07 1dv9A8 MET 24 HB2 0.11 -0.04 -0.06 -0.04 2.15 2.12 1dv9A8 MET 24 HB3 0.06 0.02 0.02 -0.04 2.03 2.09 1dv9A8 MET 24 HG2 0.02 0.12 -0.07 -0.04 2.63 2.67 1dv9A8 MET 24 HG3 0.19 -0.08 -0.37 -0.04 2.56 2.26 1dv9A8 MET 24 HE3 -0.23 -0.01 -0.18 -0.04 2.10 1.65 1dv9A8 ALA 25 H 0.09 0.56 0.32 -0.55 8.40 8.82 1dv9A8 ALA 25 HA 0.08 0.06 0.77 -0.75 4.34 4.50 1dv9A8 ALA 25 HB3 0.14 -0.00 0.04 -0.04 1.41 1.54 1dv9A8 ALA 26 H 0.05 0.27 0.18 -0.55 8.40 8.35 1dv9A8 ALA 26 HA 0.02 0.16 1.17 -0.75 4.34 4.94 1dv9A8 ALA 26 HB3 0.03 0.00 0.03 -0.04 1.41 1.43 1dv9A8 SER 27 H 0.01 0.49 0.37 -0.55 8.46 8.78 1dv9A8 SER 27 HA 0.06 -0.15 0.94 -0.75 4.49 4.59 1dv9A8 SER 27 HB2 0.00 0.04 0.05 -0.04 3.95 4.00 1dv9A8 SER 27 HB3 -0.03 0.07 0.19 -0.04 3.93 4.12 1dv9A8 ASP 28 H -0.01 0.08 0.14 -0.55 8.40 8.06 1dv9A8 ASP 28 HA -0.07 0.19 0.97 -0.75 4.63 4.97 1dv9A8 ASP 28 HB2 -0.04 0.35 0.19 -0.04 2.71 3.17 1dv9A8 ASP 28 HB3 -0.01 -0.10 0.16 -0.04 2.70 2.72 1dv9A8 ILE 29 H -0.00 0.26 0.14 -0.55 8.25 8.10 1dv9A8 ILE 29 HA 0.03 0.17 0.29 -0.75 4.18 3.92 1dv9A8 ILE 29 HB 0.02 -0.06 0.11 -0.04 1.89 1.93 1dv9A8 ILE 29 HG12 0.06 0.09 0.00 -0.04 1.49 1.60 1dv9A8 ILE 29 HG13 0.06 0.01 -0.01 -0.04 1.21 1.23 1dv9A8 ILE 29 HG23 0.03 0.01 -0.08 -0.04 0.93 0.85 1dv9A8 ILE 29 HD13 0.05 0.02 0.07 -0.04 0.88 0.98 1dv9A8 SER 30 H 0.01 0.15 -0.03 -0.55 8.46 8.04 1dv9A8 SER 30 HA 0.02 0.03 0.36 -0.75 4.49 4.15 1dv9A8 SER 30 HB2 0.01 0.02 0.11 -0.04 3.95 4.05 1dv9A8 SER 30 HB3 0.01 0.03 -0.00 -0.04 3.93 3.92 1dv9A8 LEU 31 H 0.01 0.09 -0.92 -0.55 8.37 7.00 1dv9A8 LEU 31 HA 0.02 0.09 0.52 -0.75 4.35 4.23 1dv9A8 LEU 31 HB2 0.01 0.20 0.13 -0.04 1.64 1.93 1dv9A8 LEU 31 HB3 0.02 -0.01 -0.06 -0.04 1.64 1.55 1dv9A8 LEU 31 HG 0.01 -0.01 -0.02 -0.04 1.64 1.58 1dv9A8 LEU 31 HD13 0.00 -0.03 -0.13 -0.04 0.93 0.74 1dv9A8 LEU 31 HD23 0.00 0.07 0.07 -0.04 0.89 0.99 1dv9A8 LEU 32 H 0.03 0.38 -0.06 -0.55 8.37 8.17 1dv9A8 LEU 32 HA 0.04 0.09 0.87 -0.75 4.35 4.60 1dv9A8 LEU 32 HB2 0.03 -0.08 -0.06 -0.04 1.64 1.49 1dv9A8 LEU 32 HB3 0.04 0.03 0.09 -0.04 1.64 1.75 1dv9A8 LEU 32 HG 0.03 -0.04 -0.10 -0.04 1.64 1.49 1dv9A8 LEU 32 HD13 0.04 0.03 0.03 -0.04 0.93 0.99 1dv9A8 LEU 32 HD23 0.03 -0.02 -0.19 -0.04 0.89 0.67 1dv9A8 ASP 33 H 0.04 0.03 -0.36 -0.55 8.40 7.57 1dv9A8 ASP 33 HA 0.04 0.11 0.33 -0.75 4.63 4.35 1dv9A8 ASP 33 HB2 0.04 0.16 0.16 -0.04 2.71 3.03 1dv9A8 ASP 33 HB3 0.06 -0.37 0.14 -0.04 2.70 2.48 1dv9A8 ALA 34 H 0.05 -0.01 0.19 -0.55 8.40 8.07 1dv9A8 ALA 34 HA 0.07 0.33 0.85 -0.75 4.34 4.83 1dv9A8 ALA 34 HB3 0.04 0.02 0.04 -0.04 1.41 1.47 1dv9A8 GLN 35 H 0.06 -0.17 0.13 -0.55 8.47 7.95 1dv9A8 GLN 35 HA 0.10 0.28 0.77 -0.75 4.36 4.76 1dv9A8 GLN 35 HB2 0.06 -0.07 0.06 -0.04 2.15 2.16 1dv9A8 GLN 35 HB3 0.09 0.07 0.06 -0.04 2.02 2.19 1dv9A8 GLN 35 HG2 0.06 0.09 -0.03 -0.04 2.40 2.48 1dv9A8 GLN 35 HG3 0.05 -0.12 -0.10 -0.04 2.39 2.18 1dv9A8 GLN 35 HE21 0.05 0.04 -0.00 -0.04 6.97 7.01 1dv9A8 GLN 35 HE22 0.03 -0.00 -0.00 -0.04 7.69 7.68 1dv9A8 SER 36 H 0.08 -0.25 -0.10 -0.55 8.46 7.65 1dv9A8 SER 36 HA 0.12 0.30 0.85 -0.75 4.49 5.01 1dv9A8 SER 36 HB2 0.05 0.09 -0.04 -0.04 3.95 4.00 1dv9A8 SER 36 HB3 0.05 0.05 -0.03 -0.04 3.93 3.96 1dv9A8 ALA 37 H 0.07 -0.15 -0.05 -0.55 8.40 7.72 1dv9A8 ALA 37 HA 0.06 -0.15 0.07 -0.75 4.34 3.56 1dv9A8 ALA 37 HB3 0.09 0.03 -0.18 -0.04 1.41 1.31 1dv9A8 PRO 38 HA 0.05 0.13 0.32 -0.51 4.44 4.43 1dv9A8 PRO 38 HB2 0.02 -0.03 -0.03 -0.04 2.28 2.20 1dv9A8 PRO 38 HB3 0.02 0.03 0.04 -0.04 2.02 2.06 1dv9A8 PRO 38 HG2 0.02 0.01 0.05 -0.04 2.03 2.07 1dv9A8 PRO 38 HG3 0.03 0.01 -0.03 -0.04 2.03 2.00 1dv9A8 PRO 38 HD2 0.04 0.14 0.36 -0.04 3.68 4.17 1dv9A8 PRO 38 HD3 0.05 -0.17 0.01 -0.04 3.65 3.50 1dv9A8 LEU 39 H 0.04 0.77 -0.02 -0.55 8.37 8.61 1dv9A8 LEU 39 HA 0.04 0.05 0.50 -0.75 4.35 4.18 1dv9A8 LEU 39 HB2 0.03 -0.08 -0.00 -0.04 1.64 1.55 1dv9A8 LEU 39 HB3 0.03 -0.01 -0.26 -0.04 1.64 1.36 1dv9A8 LEU 39 HG 0.03 -0.03 -0.10 -0.04 1.64 1.49 1dv9A8 LEU 39 HD13 0.05 0.00 -0.01 -0.04 0.93 0.93 1dv9A8 LEU 39 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.78 1dv9A8 ARG 40 H 0.05 0.17 -0.38 -0.55 8.46 7.76 1dv9A8 ARG 40 HA -0.01 -0.06 0.32 -0.75 4.34 3.83 1dv9A8 ARG 40 HB2 0.05 -0.08 0.10 -0.04 1.90 1.93 1dv9A8 ARG 40 HB3 0.09 0.27 0.21 -0.04 1.80 2.34 1dv9A8 ARG 40 HG2 -0.16 -0.03 -0.24 -0.04 1.67 1.20 1dv9A8 ARG 40 HG3 -0.05 -0.06 -0.07 -0.04 1.67 1.45 1dv9A8 ARG 40 HD2 0.16 0.08 -0.04 -0.04 3.22 3.37 1dv9A8 ARG 40 HD3 0.36 -0.04 -0.05 -0.04 3.22 3.45 1dv9A8 VAL 41 H -0.02 0.21 0.29 -0.55 8.24 8.18 1dv9A8 VAL 41 HA 0.08 0.22 0.86 -0.75 4.13 4.54 1dv9A8 VAL 41 HB 0.06 -0.12 -0.14 -0.04 2.12 1.88 1dv9A8 VAL 41 HG13 0.06 0.01 -0.26 -0.04 0.97 0.74 1dv9A8 VAL 41 HG23 0.06 0.07 0.10 -0.04 0.95 1.14 1dv9A8 TYR 42 H 0.24 0.54 0.14 -0.55 8.29 8.66 1dv9A8 TYR 42 HA -0.01 0.08 0.68 -0.75 4.56 4.56 1dv9A8 TYR 42 HB2 0.04 0.18 0.34 -0.04 3.06 3.58 1dv9A8 TYR 42 HB3 -0.00 0.05 0.21 -0.04 2.98 3.19 1dv9A8 TYR 42 HD2 -0.07 0.11 0.05 -0.04 7.15 7.21 1dv9A8 TYR 42 HE2 -0.07 0.01 -0.04 -0.04 6.85 6.71 1dv9A8 VAL 43 H 0.07 0.35 0.07 -0.55 8.24 8.18 1dv9A8 VAL 43 HA 0.07 -0.07 0.34 -0.75 4.13 3.72 1dv9A8 VAL 43 HB 0.11 -0.02 0.01 -0.04 2.12 2.18 1dv9A8 VAL 43 HG13 0.13 -0.02 -0.13 -0.04 0.97 0.90 1dv9A8 VAL 43 HG23 0.06 0.05 -0.16 -0.04 0.95 0.87 1dv9A8 GLU 44 H 0.05 0.47 0.44 -0.55 8.60 9.01 1dv9A8 GLU 44 HA 0.08 0.15 1.03 -0.75 4.29 4.80 1dv9A8 GLU 44 HB2 0.05 0.12 0.08 -0.04 2.09 2.30 1dv9A8 GLU 44 HB3 0.04 -0.09 0.03 -0.04 1.99 1.93 1dv9A8 GLU 44 HG2 0.09 0.12 -0.15 -0.04 2.34 2.35 1dv9A8 GLU 44 HG3 0.06 -0.08 -0.07 -0.04 2.34 2.21 1dv9A8 GLU 45 H 0.03 0.31 0.41 -0.55 8.60 8.80 1dv9A8 GLU 45 HA 0.04 0.05 1.10 -0.75 4.29 4.73 1dv9A8 GLU 45 HB2 -0.00 -0.04 -0.07 -0.04 2.09 1.94 1dv9A8 GLU 45 HB3 0.02 -0.00 -0.05 -0.04 1.99 1.92 1dv9A8 GLU 45 HG2 0.02 0.22 -0.10 -0.04 2.34 2.43 1dv9A8 GLU 45 HG3 -0.07 -0.04 -0.06 -0.04 2.34 2.13 1dv9A8 LEU 46 H 0.20 0.61 0.34 -0.55 8.37 8.97 1dv9A8 LEU 46 HA -0.00 0.31 0.88 -0.75 4.35 4.79 1dv9A8 LEU 46 HB2 0.13 0.06 0.09 -0.04 1.64 1.87 1dv9A8 LEU 46 HB3 -0.12 -0.01 -0.02 -0.04 1.64 1.45 1dv9A8 LEU 46 HG 0.00 0.07 -0.56 -0.04 1.64 1.11 1dv9A8 LEU 46 HD13 -0.45 -0.01 -0.18 -0.04 0.93 0.26 1dv9A8 LEU 46 HD23 -0.22 -0.04 -0.08 -0.04 0.89 0.51 1dv9A8 LYS 47 H -0.02 0.31 0.08 -0.55 8.42 8.23 1dv9A8 LYS 47 HA 0.04 0.18 0.67 -0.75 4.32 4.46 1dv9A8 LYS 47 HB2 0.03 0.09 -0.16 -0.04 1.87 1.79 1dv9A8 LYS 47 HB3 0.01 -0.06 0.04 -0.04 1.79 1.74 1dv9A8 LYS 47 HG2 0.00 -0.09 -0.18 -0.04 1.46 1.16 1dv9A8 LYS 47 HG3 0.02 0.12 -0.08 -0.04 1.46 1.47 1dv9A8 LYS 47 HD2 0.01 -0.04 -0.07 -0.04 1.69 1.54 1dv9A8 LYS 47 HD3 0.01 -0.03 -0.06 -0.04 1.68 1.55 1dv9A8 LYS 47 HE2 0.03 0.09 -0.03 -0.04 2.99 3.03 1dv9A8 LYS 47 HE3 0.01 -0.03 -0.09 -0.04 2.99 2.84 1dv9A8 PRO 48 HA -0.05 0.01 0.66 -0.51 4.44 4.56 1dv9A8 PRO 48 HB2 0.01 -0.05 -0.20 -0.04 2.28 2.00 1dv9A8 PRO 48 HB3 -0.04 0.11 -0.09 -0.04 2.02 1.96 1dv9A8 PRO 48 HG2 -0.00 0.05 -0.74 -0.04 2.03 1.30 1dv9A8 PRO 48 HG3 -0.10 0.02 -0.21 -0.04 2.03 1.70 1dv9A8 PRO 48 HD2 0.02 0.14 0.07 -0.04 3.68 3.88 1dv9A8 PRO 48 HD3 0.01 0.24 -0.22 -0.04 3.65 3.64 1dv9A8 THR 49 H -0.01 0.33 0.15 -0.55 8.28 8.21 1dv9A8 THR 49 HA 0.00 0.22 0.61 -0.75 4.39 4.46 1dv9A8 THR 49 HB 0.00 0.00 0.11 -0.04 4.32 4.39 1dv9A8 THR 49 HG23 -0.00 0.03 -0.03 -0.04 1.22 1.18 1dv9A8 PRO 50 HA 0.01 0.08 0.30 -0.51 4.44 4.33 1dv9A8 PRO 50 HB2 0.01 0.02 -0.02 -0.04 2.28 2.24 1dv9A8 PRO 50 HB3 0.01 0.04 0.10 -0.04 2.02 2.12 1dv9A8 PRO 50 HG2 0.01 0.04 0.08 -0.04 2.03 2.11 1dv9A8 PRO 50 HG3 0.01 0.07 0.09 -0.04 2.03 2.16 1dv9A8 PRO 50 HD2 0.01 0.07 0.19 -0.04 3.68 3.91 1dv9A8 PRO 50 HD3 0.01 0.23 0.23 -0.04 3.65 4.07 1dv9A8 GLU 51 H 0.01 -0.00 -0.61 -0.55 8.60 7.45 1dv9A8 GLU 51 HA 0.01 0.10 0.43 -0.75 4.29 4.07 1dv9A8 GLU 51 HB2 0.01 -0.08 0.05 -0.04 2.09 2.03 1dv9A8 GLU 51 HB3 0.01 0.03 0.04 -0.04 1.99 2.03 1dv9A8 GLU 51 HG2 0.01 -0.05 -0.00 -0.04 2.34 2.25 1dv9A8 GLU 51 HG3 0.01 0.02 0.01 -0.04 2.34 2.34 1dv9A8 GLY 52 H 0.03 0.40 -0.16 -0.55 8.43 8.15 1dv9A8 GLY 52 HA2 0.07 0.02 0.26 -0.51 4.01 3.84 1dv9A8 GLY 52 HA3 0.05 0.13 0.83 -0.51 4.01 4.51 1dv9A8 ASP 53 H 0.03 -0.00 -0.04 -0.55 8.40 7.84 1dv9A8 ASP 53 HA 0.04 0.10 0.19 -0.75 4.63 4.21 1dv9A8 ASP 53 HB2 -0.01 0.10 0.03 -0.04 2.71 2.79 1dv9A8 ASP 53 HB3 0.01 -0.02 0.14 -0.04 2.70 2.79 1dv9A8 LEU 54 H -0.08 0.27 0.02 -0.55 8.37 8.04 1dv9A8 LEU 54 HA -0.12 0.10 0.86 -0.75 4.35 4.44 1dv9A8 LEU 54 HB2 -0.46 0.11 -0.17 -0.04 1.64 1.08 1dv9A8 LEU 54 HB3 -0.37 -0.08 0.04 -0.04 1.64 1.19 1dv9A8 LEU 54 HG -0.29 -0.05 -0.40 -0.04 1.64 0.86 1dv9A8 LEU 54 HD13 -0.19 0.01 -0.27 -0.04 0.93 0.45 1dv9A8 LEU 54 HD23 -0.63 0.01 -0.15 -0.04 0.89 0.08 1dv9A8 GLU 55 H -0.07 0.34 -0.18 -0.55 8.60 8.15 1dv9A8 GLU 55 HA -0.05 0.14 0.55 -0.75 4.29 4.17 1dv9A8 GLU 55 HB2 -0.03 0.07 0.13 -0.04 2.09 2.23 1dv9A8 GLU 55 HB3 -0.02 -0.10 0.23 -0.04 1.99 2.06 1dv9A8 GLU 55 HG2 -0.01 -0.02 -0.08 -0.04 2.34 2.19 1dv9A8 GLU 55 HG3 -0.02 0.03 -0.19 -0.04 2.34 2.12 1dv9A8 ILE 56 H -0.08 0.69 0.40 -0.55 8.25 8.71 1dv9A8 ILE 56 HA -0.09 0.18 0.82 -0.75 4.18 4.33 1dv9A8 ILE 56 HB -0.10 -0.11 0.23 -0.04 1.89 1.87 1dv9A8 ILE 56 HG12 -0.27 0.02 -0.13 -0.04 1.49 1.07 1dv9A8 ILE 56 HG13 -0.19 0.14 -0.13 -0.04 1.21 0.98 1dv9A8 ILE 56 HG23 -0.13 0.00 -0.12 -0.04 0.93 0.64 1dv9A8 ILE 56 HD13 -0.25 -0.02 -0.06 -0.04 0.88 0.51 1dv9A8 LEU 57 H -0.02 0.67 0.34 -0.55 8.37 8.81 1dv9A8 LEU 57 HA 0.00 0.31 1.09 -0.75 4.35 5.01 1dv9A8 LEU 57 HB2 0.00 0.02 -0.04 -0.04 1.64 1.58 1dv9A8 LEU 57 HB3 0.02 -0.23 0.28 -0.04 1.64 1.66 1dv9A8 LEU 57 HG 0.02 0.03 -0.10 -0.04 1.64 1.54 1dv9A8 LEU 57 HD13 0.01 -0.01 -0.08 -0.04 0.93 0.81 1dv9A8 LEU 57 HD23 0.03 -0.01 -0.20 -0.04 0.89 0.67 1dv9A8 LEU 58 H 0.03 0.80 0.32 -0.55 8.37 8.97 1dv9A8 LEU 58 HA 0.07 0.17 0.86 -0.75 4.35 4.70 1dv9A8 LEU 58 HB2 0.06 -0.00 -0.20 -0.04 1.64 1.46 1dv9A8 LEU 58 HB3 0.08 -0.05 -0.38 -0.04 1.64 1.25 1dv9A8 LEU 58 HG 0.00 -0.12 -0.50 -0.04 1.64 0.99 1dv9A8 LEU 58 HD13 0.00 0.04 -0.15 -0.04 0.93 0.78 1dv9A8 LEU 58 HD23 0.02 0.01 -0.17 -0.04 0.89 0.71 1dv9A8 GLN 59 H 0.15 0.31 -0.10 -0.55 8.47 8.28 1dv9A8 GLN 59 HA 0.10 0.23 1.16 -0.75 4.36 5.09 1dv9A8 GLN 59 HB2 0.15 0.06 0.23 -0.04 2.15 2.55 1dv9A8 GLN 59 HB3 0.09 -0.00 0.00 -0.04 2.02 2.07 1dv9A8 GLN 59 HG2 0.08 0.03 -0.08 -0.04 2.40 2.39 1dv9A8 GLN 59 HG3 0.08 -0.00 -0.18 -0.04 2.39 2.24 1dv9A8 GLN 59 HE21 0.08 0.03 -0.06 -0.04 6.97 6.98 1dv9A8 GLN 59 HE22 0.06 -0.07 -0.00 -0.04 7.69 7.64 1dv9A8 LYS 60 H 0.12 0.31 -0.05 -0.55 8.42 8.24 1dv9A8 LYS 60 HA 0.22 0.24 0.84 -0.75 4.32 4.87 1dv9A8 LYS 60 HB2 0.12 -0.09 -0.29 -0.04 1.87 1.57 1dv9A8 LYS 60 HB3 0.11 -0.04 -0.22 -0.04 1.79 1.60 1dv9A8 LYS 60 HG2 0.15 0.04 0.02 -0.04 1.46 1.63 1dv9A8 LYS 60 HG3 0.17 0.20 0.11 -0.04 1.46 1.90 1dv9A8 LYS 60 HD2 0.09 0.20 -0.14 -0.04 1.69 1.80 1dv9A8 LYS 60 HD3 0.07 -0.16 -0.14 -0.04 1.68 1.41 1dv9A8 LYS 60 HE2 0.05 0.04 -0.06 -0.04 2.99 2.99 1dv9A8 LYS 60 HE3 0.05 0.07 0.01 -0.04 2.99 3.08 1dv9A8 TRP 61 H 0.33 0.27 0.11 -0.55 7.97 8.13 1dv9A8 TRP 61 HA 0.03 -0.10 0.50 -0.75 4.62 4.29 1dv9A8 TRP 61 HB2 0.04 0.11 0.12 -0.04 3.23 3.46 1dv9A8 TRP 61 HB3 0.04 0.05 0.11 -0.04 3.23 3.39 1dv9A8 TRP 61 HD1 0.01 -0.50 -0.18 -0.04 7.22 6.51 1dv9A8 TRP 61 HE1 0.00 0.19 -0.59 -0.04 10.20 9.76 1dv9A8 TRP 61 HE3 0.03 0.06 -0.03 -0.04 7.59 7.61 1dv9A8 TRP 61 HZ2 0.00 0.03 -0.06 -0.04 7.44 7.38 1dv9A8 TRP 61 HZ3 0.02 0.06 0.00 -0.04 7.13 7.17 1dv9A8 TRP 61 HH2 0.01 -0.04 -0.02 -0.04 7.19 7.10 1dv9A8 GLU 62 H 0.37 -0.15 0.13 -0.55 8.60 8.41 1dv9A8 GLU 62 HA -0.11 0.30 0.87 -0.75 4.29 4.60 1dv9A8 GLU 62 HB2 0.05 0.06 -0.09 -0.04 2.09 2.07 1dv9A8 GLU 62 HB3 0.07 -0.16 0.09 -0.04 1.99 1.95 1dv9A8 GLU 62 HG2 -0.02 -0.01 -0.15 -0.04 2.34 2.13 1dv9A8 GLU 62 HG3 -0.03 0.07 0.03 -0.04 2.34 2.37 1dv9A8 ASN 63 H 0.27 -0.22 0.07 -0.55 8.53 8.11 1dv9A8 ASN 63 HA -0.04 0.17 0.38 -0.75 4.76 4.52 1dv9A8 ASN 63 HB2 0.02 -0.10 -0.32 -0.04 2.88 2.44 1dv9A8 ASN 63 HB3 0.07 0.01 -0.08 -0.04 2.79 2.74 1dv9A8 ASN 63 HD21 -0.02 -0.08 -0.06 -0.04 7.03 6.83 1dv9A8 ASN 63 HD22 -0.05 -0.02 0.02 -0.04 7.74 7.66 1dv9A8 ASP 64 H 0.20 -0.04 0.12 -0.55 8.40 8.14 1dv9A8 ASP 64 HA 0.13 0.19 0.53 -0.75 4.63 4.72 1dv9A8 ASP 64 HB2 0.10 -0.16 0.19 -0.04 2.71 2.79 1dv9A8 ASP 64 HB3 0.04 0.08 0.03 -0.04 2.70 2.81 1dv9A8 GLU 65 H 0.12 -0.07 -0.01 -0.55 8.60 8.09 1dv9A8 GLU 65 HA -0.45 0.22 0.52 -0.75 4.29 3.83 1dv9A8 GLU 65 HB2 -0.12 -0.11 -0.13 -0.04 2.09 1.69 1dv9A8 GLU 65 HB3 -0.21 0.07 -0.05 -0.04 1.99 1.76 1dv9A8 GLU 65 HG2 -0.29 0.02 0.06 -0.04 2.34 2.09 1dv9A8 GLU 65 HG3 -0.15 0.31 0.04 -0.04 2.34 2.49 1dv9A8 CYS 66 H -0.04 0.14 -0.01 -0.55 8.50 8.04 1dv9A8 CYS 66 HA 0.08 0.21 0.66 -0.75 4.58 4.77 1dv9A8 CYS 66 HB2 -0.04 -0.05 0.05 -0.04 2.97 2.89 1dv9A8 CYS 66 HB3 0.04 0.08 0.07 -0.04 2.97 3.12 1dv9A8 ALA 67 H 0.17 0.07 0.03 -0.55 8.40 8.12 1dv9A8 ALA 67 HA 0.08 0.06 0.47 -0.75 4.34 4.20 1dv9A8 ALA 67 HB3 0.10 -0.04 0.13 -0.04 1.41 1.55 1dv9A8 GLN 68 H 0.06 0.12 0.20 -0.55 8.47 8.30 1dv9A8 GLN 68 HA 0.07 0.32 1.18 -0.75 4.36 5.17 1dv9A8 GLN 68 HB2 0.04 0.06 -0.02 -0.04 2.15 2.19 1dv9A8 GLN 68 HB3 0.05 0.03 -0.05 -0.04 2.02 2.02 1dv9A8 GLN 68 HG2 0.04 -0.10 0.20 -0.04 2.40 2.50 1dv9A8 GLN 68 HG3 0.03 -0.00 -0.07 -0.04 2.39 2.31 1dv9A8 GLN 68 HE21 0.02 -0.00 -0.04 -0.04 6.97 6.91 1dv9A8 GLN 68 HE22 0.03 0.00 -0.02 -0.04 7.69 7.65 1dv9A8 LYS 69 H 0.05 0.93 0.27 -0.55 8.42 9.12 1dv9A8 LYS 69 HA 0.03 0.15 0.94 -0.75 4.32 4.69 1dv9A8 LYS 69 HB2 0.05 -0.02 -0.14 -0.04 1.87 1.72 1dv9A8 LYS 69 HB3 0.03 -0.04 -0.13 -0.04 1.79 1.60 1dv9A8 LYS 69 HG2 0.02 -0.02 -0.13 -0.04 1.46 1.29 1dv9A8 LYS 69 HG3 0.02 0.04 -0.03 -0.04 1.46 1.45 1dv9A8 LYS 69 HD2 0.05 -0.01 -0.19 -0.04 1.69 1.49 1dv9A8 LYS 69 HD3 0.02 0.03 -0.14 -0.04 1.68 1.55 1dv9A8 LYS 69 HE2 0.05 -0.05 -0.28 -0.04 2.99 2.66 1dv9A8 LYS 69 HE3 0.04 0.07 -0.22 -0.04 2.99 2.84 1dv9A8 LYS 70 H 0.01 0.19 0.10 -0.55 8.42 8.16 1dv9A8 LYS 70 HA -0.01 0.44 1.11 -0.75 4.32 5.12 1dv9A8 LYS 70 HB2 0.00 -0.03 0.10 -0.04 1.87 1.90 1dv9A8 LYS 70 HB3 -0.01 -0.01 -0.05 -0.04 1.79 1.69 1dv9A8 LYS 70 HG2 -0.00 0.00 -0.15 -0.04 1.46 1.27 1dv9A8 LYS 70 HG3 0.01 0.03 -0.18 -0.04 1.46 1.27 1dv9A8 LYS 70 HD2 0.01 -0.01 -0.06 -0.04 1.69 1.58 1dv9A8 LYS 70 HD3 0.01 0.00 -0.10 -0.04 1.68 1.55 1dv9A8 LYS 70 HE2 0.02 0.00 -0.12 -0.04 2.99 2.85 1dv9A8 LYS 70 HE3 0.02 -0.03 -0.32 -0.04 2.99 2.61 1dv9A8 ILE 71 H -0.03 0.73 0.28 -0.55 8.25 8.68 1dv9A8 ILE 71 HA -0.02 0.10 0.75 -0.75 4.18 4.26 1dv9A8 ILE 71 HB -0.07 0.01 0.13 -0.04 1.89 1.91 1dv9A8 ILE 71 HG12 -0.01 0.01 -0.18 -0.04 1.49 1.26 1dv9A8 ILE 71 HG13 -0.02 0.09 -0.12 -0.04 1.21 1.11 1dv9A8 ILE 71 HG23 -0.04 -0.01 -0.16 -0.04 0.93 0.68 1dv9A8 ILE 71 HD13 -0.03 -0.02 -0.09 -0.04 0.88 0.71 1dv9A8 ILE 72 H -0.02 0.17 0.10 -0.55 8.25 7.94 1dv9A8 ILE 72 HA -0.04 0.17 0.75 -0.75 4.18 4.30 1dv9A8 ILE 72 HB -0.01 -0.00 0.22 -0.04 1.89 2.05 1dv9A8 ILE 72 HG12 -0.01 0.02 0.04 -0.04 1.49 1.50 1dv9A8 ILE 72 HG13 -0.01 0.00 0.01 -0.04 1.21 1.17 1dv9A8 ILE 72 HG23 -0.01 0.01 -0.03 -0.04 0.93 0.85 1dv9A8 ILE 72 HD13 -0.02 0.03 -0.26 -0.04 0.88 0.58 1dv9A8 ALA 73 H -0.08 0.58 0.11 -0.55 8.40 8.45 1dv9A8 ALA 73 HA -0.03 0.05 0.36 -0.75 4.34 3.97 1dv9A8 ALA 73 HB3 -0.15 0.05 0.04 -0.04 1.41 1.30 1dv9A8 GLU 74 H 0.06 0.37 0.25 -0.55 8.60 8.74 1dv9A8 GLU 74 HA 0.05 0.06 0.93 -0.75 4.29 4.58 1dv9A8 GLU 74 HB2 0.04 0.01 0.12 -0.04 2.09 2.22 1dv9A8 GLU 74 HB3 0.03 -0.04 0.11 -0.04 1.99 2.05 1dv9A8 GLU 74 HG2 0.02 0.04 0.03 -0.04 2.34 2.39 1dv9A8 GLU 74 HG3 0.01 -0.06 -0.01 -0.04 2.34 2.24 1dv9A8 LYS 75 H 0.06 0.07 0.01 -0.55 8.42 8.01 1dv9A8 LYS 75 HA 0.08 0.17 0.60 -0.75 4.32 4.42 1dv9A8 LYS 75 HB2 0.08 -0.03 0.06 -0.04 1.87 1.95 1dv9A8 LYS 75 HB3 0.02 -0.00 0.10 -0.04 1.79 1.87 1dv9A8 LYS 75 HG2 -0.01 -0.02 -0.01 -0.04 1.46 1.37 1dv9A8 LYS 75 HG3 -0.08 0.02 0.10 -0.04 1.46 1.47 1dv9A8 LYS 75 HD2 -0.03 0.00 0.09 -0.04 1.69 1.71 1dv9A8 LYS 75 HD3 0.08 0.03 0.11 -0.04 1.68 1.86 1dv9A8 LYS 75 HE2 0.01 0.07 0.02 -0.04 2.99 3.05 1dv9A8 LYS 75 HE3 -0.02 -0.03 0.03 -0.04 2.99 2.93 1dv9A8 THR 76 H -0.17 0.31 0.15 -0.55 8.28 8.02 1dv9A8 THR 76 HA -0.05 0.11 0.56 -0.75 4.39 4.26 1dv9A8 THR 76 HB -0.03 0.07 -0.24 -0.04 4.32 4.07 1dv9A8 THR 76 HG23 -0.13 0.08 -0.30 -0.04 1.22 0.83 1dv9A8 LYS 77 H -0.06 0.10 0.09 -0.55 8.42 8.00 1dv9A8 LYS 77 HA -0.06 -0.03 0.42 -0.75 4.32 3.89 1dv9A8 LYS 77 HB2 -0.04 -0.01 0.17 -0.04 1.87 1.95 1dv9A8 LYS 77 HB3 -0.05 0.02 0.09 -0.04 1.79 1.82 1dv9A8 LYS 77 HG2 -0.03 0.01 0.03 -0.04 1.46 1.42 1dv9A8 LYS 77 HG3 -0.04 -0.01 0.01 -0.04 1.46 1.38 1dv9A8 LYS 77 HD2 -0.03 -0.02 0.06 -0.04 1.69 1.65 1dv9A8 LYS 77 HD3 -0.03 0.00 0.04 -0.04 1.68 1.65 1dv9A8 LYS 77 HE2 -0.02 0.01 0.02 -0.04 2.99 2.96 1dv9A8 LYS 77 HE3 -0.02 0.01 0.02 -0.04 2.99 2.95 1dv9A8 ILE 78 H -0.08 0.07 0.23 -0.55 8.25 7.93 1dv9A8 ILE 78 HA -0.08 -0.01 0.52 -0.75 4.18 3.85 1dv9A8 ILE 78 HB -0.09 0.29 0.28 -0.04 1.89 2.32 1dv9A8 ILE 78 HG12 -0.05 -0.05 -0.31 -0.04 1.49 1.03 1dv9A8 ILE 78 HG13 -0.04 0.03 -0.02 -0.04 1.21 1.14 1dv9A8 ILE 78 HG23 -0.07 -0.06 0.07 -0.04 0.93 0.83 1dv9A8 ILE 78 HD13 -0.04 -0.00 0.09 -0.04 0.88 0.89 1dv9A8 PRO 79 HA -0.46 0.15 0.39 -0.51 4.44 4.02 1dv9A8 PRO 79 HB2 -0.05 -0.00 0.08 -0.04 2.28 2.26 1dv9A8 PRO 79 HB3 -0.04 0.01 0.19 -0.04 2.02 2.14 1dv9A8 PRO 79 HG2 -0.03 -0.04 0.14 -0.04 2.03 2.06 1dv9A8 PRO 79 HG3 -0.06 0.09 0.16 -0.04 2.03 2.18 1dv9A8 PRO 79 HD2 -0.07 -0.04 0.30 -0.04 3.68 3.83 1dv9A8 PRO 79 HD3 -0.08 0.13 0.28 -0.04 3.65 3.94 1dv9A8 ALA 80 H -0.14 -0.10 -0.58 -0.55 8.40 7.04 1dv9A8 ALA 80 HA -0.03 0.04 0.36 -0.75 4.34 3.95 1dv9A8 ALA 80 HB3 -0.05 0.00 0.10 -0.04 1.41 1.42 1dv9A8 VAL 81 H -0.29 0.73 -0.19 -0.55 8.24 7.94 1dv9A8 VAL 81 HA -0.04 0.23 1.26 -0.75 4.13 4.83 1dv9A8 VAL 81 HB -0.07 -0.17 0.02 -0.04 2.12 1.86 1dv9A8 VAL 81 HG13 -0.14 -0.04 0.04 -0.04 0.97 0.79 1dv9A8 VAL 81 HG23 -0.02 -0.00 0.02 -0.04 0.95 0.90 1dv9A8 PHE 82 H 0.10 0.82 0.47 -0.55 8.34 9.18 1dv9A8 PHE 82 HA -0.03 0.18 0.88 -0.75 4.62 4.88 1dv9A8 PHE 82 HB2 -0.07 -0.07 -0.04 -0.04 3.15 2.92 1dv9A8 PHE 82 HB3 -0.06 -0.03 0.05 -0.04 3.06 2.98 1dv9A8 PHE 82 HD2 -0.06 0.01 -0.27 -0.04 7.28 6.93 1dv9A8 PHE 82 HE2 -0.06 -0.04 -0.11 -0.04 7.38 7.14 1dv9A8 PHE 82 HZ -0.05 -0.18 -0.04 -0.04 7.32 7.01 1dv9A8 LYS 83 H 0.14 0.64 0.24 -0.55 8.42 8.88 1dv9A8 LYS 83 HA 0.04 0.35 1.19 -0.75 4.32 5.15 1dv9A8 LYS 83 HB2 0.02 -0.02 -0.03 -0.04 1.87 1.80 1dv9A8 LYS 83 HB3 0.02 -0.02 0.03 -0.04 1.79 1.78 1dv9A8 LYS 83 HG2 0.01 -0.02 -0.01 -0.04 1.46 1.40 1dv9A8 LYS 83 HG3 0.00 -0.06 -0.02 -0.04 1.46 1.34 1dv9A8 LYS 83 HD2 0.01 0.21 0.15 -0.04 1.69 2.02 1dv9A8 LYS 83 HD3 0.01 -0.10 0.02 -0.04 1.68 1.56 1dv9A8 LYS 83 HE2 0.00 -0.03 -0.02 -0.04 2.99 2.90 1dv9A8 LYS 83 HE3 0.00 0.03 0.01 -0.04 2.99 2.99 1dv9A8 ILE 84 H 0.02 0.82 0.31 -0.55 8.25 8.85 1dv9A8 ILE 84 HA 0.00 0.21 0.89 -0.75 4.18 4.53 1dv9A8 ILE 84 HB -0.02 -0.19 0.01 -0.04 1.89 1.65 1dv9A8 ILE 84 HG12 0.00 0.07 -0.17 -0.04 1.49 1.36 1dv9A8 ILE 84 HG13 -0.00 -0.12 -0.28 -0.04 1.21 0.76 1dv9A8 ILE 84 HG23 -0.03 -0.01 -0.30 -0.04 0.93 0.55 1dv9A8 ILE 84 HD13 -0.02 -0.07 -0.07 -0.04 0.88 0.67 1dv9A8 ASP 85 H -0.01 0.12 -0.08 -0.55 8.40 7.88 1dv9A8 ASP 85 HA -0.00 0.01 0.30 -0.75 4.63 4.19 1dv9A8 ASP 85 HB2 0.00 0.00 -0.39 -0.04 2.71 2.28 1dv9A8 ASP 85 HB3 -0.00 0.02 0.12 -0.04 2.70 2.80 1dv9A8 ALA 86 H -0.00 -0.06 -0.06 -0.55 8.40 7.73 1dv9A8 ALA 86 HA -0.00 0.23 0.67 -0.75 4.34 4.48 1dv9A8 ALA 86 HB3 -0.01 0.02 -0.06 -0.04 1.41 1.32 1dv9A8 LEU 87 H -0.00 -0.07 0.03 -0.55 8.37 7.78 1dv9A8 LEU 87 HA 0.00 0.26 0.70 -0.75 4.35 4.56 1dv9A8 LEU 87 HB2 0.00 -0.08 0.11 -0.04 1.64 1.64 1dv9A8 LEU 87 HB3 0.01 0.02 -0.01 -0.04 1.64 1.62 1dv9A8 LEU 87 HG 0.01 0.09 -0.03 -0.04 1.64 1.67 1dv9A8 LEU 87 HD13 0.01 -0.01 -0.14 -0.04 0.93 0.74 1dv9A8 LEU 87 HD23 0.03 0.03 -0.06 -0.04 0.89 0.84 1dv9A8 ASN 88 H 0.00 -0.00 -0.01 -0.55 8.53 7.97 1dv9A8 ASN 88 HA 0.00 0.15 0.38 -0.75 4.76 4.54 1dv9A8 ASN 88 HB2 0.01 0.04 -0.45 -0.04 2.88 2.44 1dv9A8 ASN 88 HB3 0.01 -0.02 -0.11 -0.04 2.79 2.63 1dv9A8 ASN 88 HD21 0.00 -0.04 -0.11 -0.04 7.03 6.84 1dv9A8 ASN 88 HD22 0.00 0.00 -0.05 -0.04 7.74 7.65 1dv9A8 GLU 89 H 0.01 0.12 0.06 -0.55 8.60 8.24 1dv9A8 GLU 89 HA 0.01 0.04 0.47 -0.75 4.29 4.06 1dv9A8 GLU 89 HB2 0.02 0.00 0.24 -0.04 2.09 2.31 1dv9A8 GLU 89 HB3 0.02 0.12 0.13 -0.04 1.99 2.22 1dv9A8 GLU 89 HG2 0.03 0.20 -0.09 -0.04 2.34 2.43 1dv9A8 GLU 89 HG3 0.02 -0.09 -0.06 -0.04 2.34 2.17 1dv9A8 ASN 90 H 0.01 0.24 0.37 -0.55 8.53 8.60 1dv9A8 ASN 90 HA 0.01 0.06 0.29 -0.75 4.76 4.36 1dv9A8 ASN 90 HB2 0.00 0.23 0.27 -0.04 2.88 3.34 1dv9A8 ASN 90 HB3 0.00 0.00 0.18 -0.04 2.79 2.94 1dv9A8 ASN 90 HD21 0.00 -0.05 0.02 -0.04 7.03 6.96 1dv9A8 ASN 90 HD22 0.00 0.06 0.05 -0.04 7.74 7.81 1dv9A8 LYS 91 H 0.01 0.23 -0.10 -0.55 8.42 8.00 1dv9A8 LYS 91 HA 0.02 0.32 1.09 -0.75 4.32 5.00 1dv9A8 LYS 91 HB2 0.01 0.01 -0.02 -0.04 1.87 1.83 1dv9A8 LYS 91 HB3 0.02 -0.01 -0.07 -0.04 1.79 1.68 1dv9A8 LYS 91 HG2 0.01 0.12 -0.03 -0.04 1.46 1.51 1dv9A8 LYS 91 HG3 0.00 -0.12 -0.07 -0.04 1.46 1.22 1dv9A8 LYS 91 HD2 0.00 0.07 -0.01 -0.04 1.69 1.71 1dv9A8 LYS 91 HD3 -0.01 0.01 -0.04 -0.04 1.68 1.60 1dv9A8 LYS 91 HE2 0.00 -0.08 -0.16 -0.04 2.99 2.70 1dv9A8 LYS 91 HE3 -0.00 0.02 -0.11 -0.04 2.99 2.85 1dv9A8 VAL 92 H 0.05 0.43 0.34 -0.55 8.24 8.51 1dv9A8 VAL 92 HA 0.06 0.18 0.90 -0.75 4.13 4.52 1dv9A8 VAL 92 HB 0.10 -0.09 0.01 -0.04 2.12 2.10 1dv9A8 VAL 92 HG13 -0.02 0.05 0.02 -0.04 0.97 0.98 1dv9A8 VAL 92 HG23 -0.00 0.00 -0.32 -0.04 0.95 0.60 1dv9A8 LEU 93 H 0.09 0.57 0.35 -0.55 8.37 8.84 1dv9A8 LEU 93 HA 0.07 0.36 1.21 -0.75 4.35 5.24 1dv9A8 LEU 93 HB2 0.02 -0.04 -0.08 -0.04 1.64 1.49 1dv9A8 LEU 93 HB3 0.00 0.01 0.01 -0.04 1.64 1.62 1dv9A8 LEU 93 HG 0.02 -0.04 -0.58 -0.04 1.64 1.00 1dv9A8 LEU 93 HD13 0.01 -0.01 -0.21 -0.04 0.93 0.69 1dv9A8 LEU 93 HD23 -0.01 -0.00 -0.11 -0.04 0.89 0.72 1dv9A8 VAL 94 H 0.04 0.51 0.37 -0.55 8.24 8.61 1dv9A8 VAL 94 HA 0.08 0.10 1.21 -0.75 4.13 4.77 1dv9A8 VAL 94 HB 0.03 -0.10 0.17 -0.04 2.12 2.18 1dv9A8 VAL 94 HG13 -0.03 0.00 -0.08 -0.04 0.97 0.82 1dv9A8 VAL 94 HG23 0.18 -0.01 -0.17 -0.04 0.95 0.92 1dv9A8 LEU 95 H -0.05 0.32 0.02 -0.55 8.37 8.12 1dv9A8 LEU 95 HA -0.19 0.31 0.77 -0.75 4.35 4.49 1dv9A8 LEU 95 HB2 -0.24 -0.03 0.07 -0.04 1.64 1.40 1dv9A8 LEU 95 HB3 -0.37 0.05 0.03 -0.04 1.64 1.30 1dv9A8 LEU 95 HG -0.11 -0.08 -0.40 -0.04 1.64 1.00 1dv9A8 LEU 95 HD13 -0.19 0.03 -0.07 -0.04 0.93 0.67 1dv9A8 LEU 95 HD23 -0.08 0.01 -0.27 -0.04 0.89 0.51 1dv9A8 ASP 96 H -0.16 0.16 0.17 -0.55 8.40 8.03 1dv9A8 ASP 96 HA -0.13 0.06 0.45 -0.75 4.63 4.26 1dv9A8 ASP 96 HB2 -0.11 0.02 -0.50 -0.04 2.71 2.08 1dv9A8 ASP 96 HB3 -0.04 -0.02 -0.17 -0.04 2.70 2.43 1dv9A8 THR 97 H -0.27 0.07 0.18 -0.55 8.28 7.71 1dv9A8 THR 97 HA -0.65 0.20 0.96 -0.75 4.39 4.15 1dv9A8 THR 97 HB -0.33 -0.07 0.18 -0.04 4.32 4.06 1dv9A8 THR 97 HG23 -0.34 -0.01 0.03 -0.04 1.22 0.86 1dv9A8 ASP 98 H -0.38 0.02 0.18 -0.55 8.40 7.67 1dv9A8 ASP 98 HA -0.21 0.10 0.33 -0.75 4.63 4.09 1dv9A8 ASP 98 HB2 0.11 0.12 -0.44 -0.04 2.71 2.46 1dv9A8 ASP 98 HB3 0.16 0.02 0.18 -0.04 2.70 3.02 1dv9A8 TYR 99 H -0.41 -0.03 -0.59 -0.55 8.29 6.71 1dv9A8 TYR 99 HA 0.26 0.03 0.23 -0.75 4.56 4.33 1dv9A8 TYR 99 HB2 0.11 0.11 -0.07 -0.04 3.06 3.18 1dv9A8 TYR 99 HB3 0.15 0.04 0.15 -0.04 2.98 3.28 1dv9A8 TYR 99 HD2 0.11 0.07 -0.12 -0.04 7.15 7.17 1dv9A8 TYR 99 HE2 0.04 0.04 -0.09 -0.04 6.85 6.79 1dv9A8 LYS 100 H 0.35 0.33 -0.71 -0.55 8.42 7.84 1dv9A8 LYS 100 HA 0.22 0.18 0.81 -0.75 4.32 4.78 1dv9A8 LYS 100 HB2 0.35 0.12 0.06 -0.04 1.87 2.36 1dv9A8 LYS 100 HB3 0.27 -0.07 0.13 -0.04 1.79 2.08 1dv9A8 LYS 100 HG2 0.07 -0.05 0.10 -0.04 1.46 1.53 1dv9A8 LYS 100 HG3 0.13 0.05 0.07 -0.04 1.46 1.67 1dv9A8 LYS 100 HD2 0.14 0.03 0.02 -0.04 1.69 1.85 1dv9A8 LYS 100 HD3 0.03 -0.08 0.02 -0.04 1.68 1.62 1dv9A8 LYS 100 HE2 0.08 0.04 0.02 -0.04 2.99 3.09 1dv9A8 LYS 100 HE3 0.05 -0.03 0.01 -0.04 2.99 2.98 1dv9A8 LYS 101 H 0.31 0.21 -0.56 -0.55 8.42 7.82 1dv9A8 LYS 101 HA 0.06 0.05 0.28 -0.75 4.32 3.95 1dv9A8 LYS 101 HB2 0.09 0.23 0.40 -0.04 1.87 2.54 1dv9A8 LYS 101 HB3 0.04 -0.13 0.24 -0.04 1.79 1.91 1dv9A8 LYS 101 HG2 0.02 -0.00 -0.02 -0.04 1.46 1.41 1dv9A8 LYS 101 HG3 0.08 -0.01 -0.28 -0.04 1.46 1.21 1dv9A8 LYS 101 HD2 0.06 0.00 -0.23 -0.04 1.69 1.48 1dv9A8 LYS 101 HD3 0.02 -0.00 -0.02 -0.04 1.68 1.64 1dv9A8 LYS 101 HE2 0.03 0.01 -0.02 -0.04 2.99 2.96 1dv9A8 LYS 101 HE3 0.02 -0.01 -0.00 -0.04 2.99 2.96 1dv9A8 TYR 102 H 0.69 0.14 -0.05 -0.55 8.29 8.52 1dv9A8 TYR 102 HA 0.50 0.07 0.46 -0.75 4.56 4.83 1dv9A8 TYR 102 HB2 0.16 0.15 0.29 -0.04 3.06 3.62 1dv9A8 TYR 102 HB3 0.16 0.13 -0.05 -0.04 2.98 3.19 1dv9A8 TYR 102 HD2 0.13 -0.14 -0.33 -0.04 7.15 6.77 1dv9A8 TYR 102 HE2 0.08 -0.04 -0.09 -0.04 6.85 6.75 1dv9A8 LEU 103 H 0.18 0.67 0.37 -0.55 8.37 9.05 1dv9A8 LEU 103 HA -0.36 0.06 0.79 -0.75 4.35 4.08 1dv9A8 LEU 103 HB2 -0.66 0.04 -0.13 -0.04 1.64 0.86 1dv9A8 LEU 103 HB3 -0.62 -0.02 -0.11 -0.04 1.64 0.85 1dv9A8 LEU 103 HG -0.19 0.01 -0.09 -0.04 1.64 1.34 1dv9A8 LEU 103 HD13 -0.37 -0.00 -0.09 -0.04 0.93 0.42 1dv9A8 LEU 103 HD23 -0.13 -0.00 -0.31 -0.04 0.89 0.40 1dv9A8 LEU 104 H -0.18 0.22 0.13 -0.55 8.37 8.00 1dv9A8 LEU 104 HA -0.13 0.27 1.24 -0.75 4.35 4.98 1dv9A8 LEU 104 HB2 -0.11 0.11 0.27 -0.04 1.64 1.86 1dv9A8 LEU 104 HB3 -0.11 0.01 0.10 -0.04 1.64 1.60 1dv9A8 LEU 104 HG 0.09 0.03 0.12 -0.04 1.64 1.84 1dv9A8 LEU 104 HD13 0.10 -0.01 -0.13 -0.04 0.93 0.85 1dv9A8 LEU 104 HD23 0.08 -0.01 -0.05 -0.04 0.89 0.87 1dv9A8 PHE 105 H -0.43 0.63 0.46 -0.55 8.34 8.45 1dv9A8 PHE 105 HA -0.07 -0.05 0.91 -0.75 4.62 4.66 1dv9A8 PHE 105 HB2 -0.05 0.18 0.22 -0.04 3.15 3.46 1dv9A8 PHE 105 HB3 -0.10 -0.02 -0.15 -0.04 3.06 2.74 1dv9A8 PHE 105 HD2 -0.09 0.02 -0.35 -0.04 7.28 6.82 1dv9A8 PHE 105 HE2 -0.05 -0.01 -0.19 -0.04 7.38 7.09 1dv9A8 PHE 105 HZ -0.03 -0.00 -0.13 -0.04 7.32 7.11 1dv9A8 CYS 106 H 0.22 0.88 0.50 -0.55 8.50 9.55 1dv9A8 CYS 106 HA 0.05 0.24 1.12 -0.75 4.58 5.24 1dv9A8 CYS 106 HB2 -0.01 -0.07 -0.11 -0.04 2.97 2.74 1dv9A8 CYS 106 HB3 0.03 -0.06 -0.04 -0.04 2.97 2.85 1dv9A8 MET 107 H 0.07 0.66 0.48 -0.55 8.47 9.13 1dv9A8 MET 107 HA 0.07 0.19 1.08 -0.75 4.52 5.10 1dv9A8 MET 107 HB2 0.07 -0.03 0.15 -0.04 2.15 2.30 1dv9A8 MET 107 HB3 0.05 0.03 0.21 -0.04 2.03 2.29 1dv9A8 MET 107 HG2 0.22 0.05 -0.66 -0.04 2.63 2.21 1dv9A8 MET 107 HG3 0.21 0.00 -0.11 -0.04 2.56 2.62 1dv9A8 MET 107 HE3 0.07 -0.02 -0.03 -0.04 2.10 2.08 1dv9A8 GLU 108 H 0.03 0.56 0.28 -0.55 8.60 8.92 1dv9A8 GLU 108 HA 0.01 0.48 0.65 -0.75 4.29 4.68 1dv9A8 GLU 108 HB2 0.00 -0.12 0.06 -0.04 2.09 1.99 1dv9A8 GLU 108 HB3 0.01 0.10 -0.26 -0.04 1.99 1.79 1dv9A8 GLU 108 HG2 0.01 -0.03 -0.20 -0.04 2.34 2.08 1dv9A8 GLU 108 HG3 0.01 -0.04 -0.32 -0.04 2.34 1.94 1dv9A8 ASN 109 H 0.00 0.20 0.06 -0.55 8.53 8.25 1dv9A8 ASN 109 HA 0.01 0.11 1.05 -0.75 4.76 5.17 1dv9A8 ASN 109 HB2 0.00 0.07 -0.04 -0.04 2.88 2.87 1dv9A8 ASN 109 HB3 -0.00 -0.16 -0.06 -0.04 2.79 2.53 1dv9A8 ASN 109 HD21 0.00 0.31 0.01 -0.04 7.03 7.31 1dv9A8 ASN 109 HD22 0.00 -0.10 -0.28 -0.04 7.74 7.32 1dv9A8 SER 110 H 0.00 0.20 0.10 -0.55 8.46 8.22 1dv9A8 SER 110 HA -0.00 0.08 0.41 -0.75 4.49 4.22 1dv9A8 SER 110 HB2 -0.00 0.01 0.20 -0.04 3.95 4.11 1dv9A8 SER 110 HB3 -0.00 0.06 0.20 -0.04 3.93 4.15 1dv9A8 ALA 111 H -0.00 0.63 0.26 -0.55 8.40 8.74 1dv9A8 ALA 111 HA -0.00 0.07 0.38 -0.75 4.34 4.03 1dv9A8 ALA 111 HB3 -0.00 0.05 -0.03 -0.04 1.41 1.38 1dv9A8 GLU 112 H -0.00 0.19 -0.02 -0.55 8.60 8.22 1dv9A8 GLU 112 HA -0.01 0.21 0.77 -0.75 4.29 4.52 1dv9A8 GLU 112 HB2 -0.01 0.01 0.01 -0.04 2.09 2.06 1dv9A8 GLU 112 HB3 -0.01 -0.12 0.15 -0.04 1.99 1.97 1dv9A8 GLU 112 HG2 -0.01 -0.01 -0.01 -0.04 2.34 2.27 1dv9A8 GLU 112 HG3 -0.01 0.16 0.10 -0.04 2.34 2.55 1dv9A8 PRO 113 HA -0.00 -0.00 0.45 -0.51 4.44 4.37 1dv9A8 PRO 113 HB2 -0.01 0.12 0.05 -0.04 2.28 2.39 1dv9A8 PRO 113 HB3 -0.00 0.07 0.08 -0.04 2.02 2.13 1dv9A8 PRO 113 HG2 -0.01 -0.05 0.14 -0.04 2.03 2.07 1dv9A8 PRO 113 HG3 -0.00 0.13 0.06 -0.04 2.03 2.17 1dv9A8 PRO 113 HD2 -0.01 0.23 0.02 -0.04 3.68 3.88 1dv9A8 PRO 113 HD3 -0.00 0.12 0.04 -0.04 3.65 3.77 1dv9A8 GLU 114 H -0.01 0.20 0.04 -0.55 8.60 8.29 1dv9A8 GLU 114 HA -0.02 0.12 0.35 -0.75 4.29 3.99 1dv9A8 GLU 114 HB2 -0.02 -0.03 0.06 -0.04 2.09 2.06 1dv9A8 GLU 114 HB3 -0.04 0.06 0.02 -0.04 1.99 1.99 1dv9A8 GLU 114 HG2 -0.01 -0.02 0.07 -0.04 2.34 2.34 1dv9A8 GLU 114 HG3 -0.01 0.02 0.05 -0.04 2.34 2.37 1dv9A8 GLN 115 H -0.02 -0.07 -0.94 -0.55 8.47 6.90 1dv9A8 GLN 115 HA -0.05 0.12 0.62 -0.75 4.36 4.30 1dv9A8 GLN 115 HB2 -0.02 -0.09 0.01 -0.04 2.15 2.00 1dv9A8 GLN 115 HB3 -0.02 0.07 -0.04 -0.04 2.02 1.99 1dv9A8 GLN 115 HG2 -0.03 -0.03 0.03 -0.04 2.40 2.34 1dv9A8 GLN 115 HG3 -0.04 0.01 -0.00 -0.04 2.39 2.32 1dv9A8 GLN 115 HE21 -0.01 0.02 -0.02 -0.04 6.97 6.92 1dv9A8 GLN 115 HE22 -0.01 -0.02 -0.03 -0.04 7.69 7.59 1dv9A8 SER 116 H -0.01 0.50 0.12 -0.55 8.46 8.52 1dv9A8 SER 116 HA -0.00 0.13 0.83 -0.75 4.49 4.70 1dv9A8 SER 116 HB2 -0.00 0.09 0.12 -0.04 3.95 4.11 1dv9A8 SER 116 HB3 0.00 -0.22 0.16 -0.04 3.93 3.83 1dv9A8 LEU 117 H -0.01 0.11 -0.43 -0.55 8.37 7.49 1dv9A8 LEU 117 HA 0.00 0.22 0.86 -0.75 4.35 4.68 1dv9A8 LEU 117 HB2 -0.01 0.01 -0.10 -0.04 1.64 1.50 1dv9A8 LEU 117 HB3 -0.01 -0.04 0.14 -0.04 1.64 1.68 1dv9A8 LEU 117 HG -0.01 0.04 -0.20 -0.04 1.64 1.43 1dv9A8 LEU 117 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.83 1dv9A8 LEU 117 HD23 -0.01 0.02 -0.03 -0.04 0.89 0.83 1dv9A8 VAL 118 H 0.02 0.56 0.43 -0.55 8.24 8.69 1dv9A8 VAL 118 HA 0.01 0.12 1.00 -0.75 4.13 4.51 1dv9A8 VAL 118 HB 0.03 -0.07 -0.15 -0.04 2.12 1.88 1dv9A8 VAL 118 HG13 0.05 0.03 0.04 -0.04 0.97 1.06 1dv9A8 VAL 118 HG23 0.03 0.03 -0.12 -0.04 0.95 0.86 1dv9A8 CYS 119 H -0.00 0.92 0.49 -0.55 8.50 9.36 1dv9A8 CYS 119 HA -0.09 0.18 1.21 -0.75 4.58 5.13 1dv9A8 CYS 119 HB2 -0.07 0.01 0.06 -0.04 2.97 2.93 1dv9A8 CYS 119 HB3 -0.12 -0.00 0.02 -0.04 2.97 2.82 1dv9A8 GLN 120 H -0.33 0.57 0.45 -0.55 8.47 8.61 1dv9A8 GLN 120 HA 0.16 0.08 0.68 -0.75 4.36 4.52 1dv9A8 GLN 120 HB2 -0.13 0.11 0.25 -0.04 2.15 2.33 1dv9A8 GLN 120 HB3 -0.05 -0.04 0.14 -0.04 2.02 2.03 1dv9A8 GLN 120 HG2 -0.63 -0.04 -0.08 -0.04 2.40 1.62 1dv9A8 GLN 120 HG3 -0.70 -0.00 -0.13 -0.04 2.39 1.51 1dv9A8 GLN 120 HE21 0.09 0.01 -0.02 -0.04 6.97 7.01 1dv9A8 GLN 120 HE22 0.10 0.04 0.02 -0.04 7.69 7.80 1dv9A8 CYS 121 H -0.07 0.59 0.43 -0.55 8.50 8.90 1dv9A8 CYS 121 HA -0.09 0.23 1.23 -0.75 4.58 5.20 1dv9A8 CYS 121 HB2 0.28 0.01 0.01 -0.04 2.97 3.24 1dv9A8 CYS 121 HB3 -0.13 -0.08 0.11 -0.04 2.97 2.83 1dv9A8 LEU 122 H 0.08 0.81 0.48 -0.55 8.37 9.19 1dv9A8 LEU 122 HA 0.16 0.27 1.05 -0.75 4.35 5.08 1dv9A8 LEU 122 HB2 0.14 0.03 0.02 -0.04 1.64 1.79 1dv9A8 LEU 122 HB3 0.42 -0.05 -0.16 -0.04 1.64 1.82 1dv9A8 LEU 122 HG 0.21 0.04 -0.57 -0.04 1.64 1.28 1dv9A8 LEU 122 HD13 0.15 -0.01 -0.42 -0.04 0.93 0.61 1dv9A8 LEU 122 HD23 0.19 -0.01 -0.25 -0.04 0.89 0.78 1dv9A8 VAL 123 H 0.28 0.85 0.34 -0.55 8.24 9.15 1dv9A8 VAL 123 HA 0.39 0.16 0.76 -0.75 4.13 4.68 1dv9A8 VAL 123 HB 0.21 0.01 -0.14 -0.04 2.12 2.16 1dv9A8 VAL 123 HG13 0.13 -0.02 -0.10 -0.04 0.97 0.94 1dv9A8 VAL 123 HG23 0.12 -0.03 0.16 -0.04 0.95 1.16 1dv9A8 ARG 124 H 0.11 0.42 0.11 -0.55 8.46 8.54 1dv9A8 ARG 124 HA 0.01 0.19 0.41 -0.75 4.34 4.19 1dv9A8 ARG 124 HB2 -0.04 -0.02 0.18 -0.04 1.90 1.97 1dv9A8 ARG 124 HB3 -0.00 0.01 -0.04 -0.04 1.80 1.72 1dv9A8 ARG 124 HG2 -0.31 0.22 0.14 -0.04 1.67 1.68 1dv9A8 ARG 124 HG3 -0.42 -0.07 0.04 -0.04 1.67 1.18 1dv9A8 ARG 124 HD2 -0.19 -0.02 0.03 -0.04 3.22 3.01 1dv9A8 ARG 124 HD3 -0.08 -0.01 0.01 -0.04 3.22 3.10 1dv9A8 THR 125 H 0.12 -0.03 -0.55 -0.55 8.28 7.28 1dv9A8 THR 125 HA 0.04 -0.09 0.19 -0.75 4.39 3.78 1dv9A8 THR 125 HB -0.13 0.23 0.45 -0.04 4.32 4.82 1dv9A8 THR 125 HG23 -0.10 -0.04 0.06 -0.04 1.22 1.09 1dv9A8 PRO 126 HA -0.01 0.15 0.43 -0.51 4.44 4.51 1dv9A8 PRO 126 HB2 -0.00 0.05 0.21 -0.04 2.28 2.50 1dv9A8 PRO 126 HB3 0.00 0.02 0.05 -0.04 2.02 2.05 1dv9A8 PRO 126 HG2 0.00 0.19 -0.03 -0.04 2.03 2.15 1dv9A8 PRO 126 HG3 0.01 0.05 0.07 -0.04 2.03 2.13 1dv9A8 PRO 126 HD2 0.03 0.02 -0.02 -0.04 3.68 3.67 1dv9A8 PRO 126 HD3 0.05 -0.04 0.05 -0.04 3.65 3.67 1dv9A8 GLU 127 H -0.02 0.41 -0.56 -0.55 8.60 7.89 1dv9A8 GLU 127 HA -0.01 -0.03 0.29 -0.75 4.29 3.79 1dv9A8 GLU 127 HB2 -0.01 0.20 0.41 -0.04 2.09 2.65 1dv9A8 GLU 127 HB3 -0.01 -0.08 0.17 -0.04 1.99 2.03 1dv9A8 GLU 127 HG2 -0.02 0.01 -0.10 -0.04 2.34 2.19 1dv9A8 GLU 127 HG3 -0.01 0.05 -0.61 -0.04 2.34 1.73 1dv9A8 VAL 128 H 0.00 -0.01 -0.15 -0.55 8.24 7.52 1dv9A8 VAL 128 HA 0.01 0.01 0.28 -0.75 4.13 3.66 1dv9A8 VAL 128 HB -0.01 0.18 0.22 -0.04 2.12 2.47 1dv9A8 VAL 128 HG13 -0.00 -0.03 0.04 -0.04 0.97 0.94 1dv9A8 VAL 128 HG23 -0.00 0.01 -0.27 -0.04 0.95 0.65 1dv9A8 ASP 129 H -0.01 0.13 -0.04 -0.55 8.40 7.93 1dv9A8 ASP 129 HA -0.04 0.24 0.60 -0.75 4.63 4.67 1dv9A8 ASP 129 HB2 -0.02 0.06 -0.30 -0.04 2.71 2.41 1dv9A8 ASP 129 HB3 -0.09 -0.14 0.21 -0.04 2.70 2.64 1dv9A8 ASP 130 H -0.02 0.31 0.05 -0.55 8.40 8.19 1dv9A8 ASP 130 HA -0.00 0.05 0.35 -0.75 4.63 4.27 1dv9A8 ASP 130 HB2 -0.00 0.05 0.04 -0.04 2.71 2.75 1dv9A8 ASP 130 HB3 -0.00 0.06 0.13 -0.04 2.70 2.84 1dv9A8 GLU 131 H -0.06 0.02 -0.78 -0.55 8.60 7.24 1dv9A8 GLU 131 HA -0.02 0.09 0.47 -0.75 4.29 4.08 1dv9A8 GLU 131 HB2 -0.09 0.05 -0.00 -0.04 2.09 2.01 1dv9A8 GLU 131 HB3 -0.07 0.02 0.04 -0.04 1.99 1.94 1dv9A8 GLU 131 HG2 -0.18 -0.13 0.03 -0.04 2.34 2.01 1dv9A8 GLU 131 HG3 -0.47 0.07 -0.04 -0.04 2.34 1.85 1dv9A8 ALA 132 H -0.19 0.28 0.05 -0.55 8.40 7.99 1dv9A8 ALA 132 HA 0.08 0.07 0.33 -0.75 4.34 4.07 1dv9A8 ALA 132 HB3 -0.06 0.03 0.04 -0.04 1.41 1.38 1dv9A8 LEU 133 H 0.01 0.26 -0.55 -0.55 8.37 7.54 1dv9A8 LEU 133 HA 0.07 0.09 0.41 -0.75 4.35 4.16 1dv9A8 LEU 133 HB2 0.01 -0.05 0.02 -0.04 1.64 1.59 1dv9A8 LEU 133 HB3 0.04 0.06 -0.03 -0.04 1.64 1.68 1dv9A8 LEU 133 HG 0.00 -0.00 -0.04 -0.04 1.64 1.56 1dv9A8 LEU 133 HD13 -0.02 0.01 -0.03 -0.04 0.93 0.84 1dv9A8 LEU 133 HD23 -0.04 0.00 -0.11 -0.04 0.89 0.69 1dv9A8 GLU 134 H 0.06 0.53 0.03 -0.55 8.60 8.67 1dv9A8 GLU 134 HA 0.08 0.03 0.36 -0.75 4.29 4.01 1dv9A8 GLU 134 HB2 0.05 0.14 0.24 -0.04 2.09 2.48 1dv9A8 GLU 134 HB3 0.06 0.01 -0.02 -0.04 1.99 2.00 1dv9A8 GLU 134 HG2 0.04 -0.03 0.07 -0.04 2.34 2.38 1dv9A8 GLU 134 HG3 0.03 0.02 0.06 -0.04 2.34 2.41 1dv9A8 LYS 135 H 0.12 0.47 -0.19 -0.55 8.42 8.27 1dv9A8 LYS 135 HA 0.14 0.03 0.34 -0.75 4.32 4.09 1dv9A8 LYS 135 HB2 0.22 0.14 0.04 -0.04 1.87 2.23 1dv9A8 LYS 135 HB3 0.22 0.02 -0.15 -0.04 1.79 1.84 1dv9A8 LYS 135 HG2 0.25 -0.00 -0.06 -0.04 1.46 1.61 1dv9A8 LYS 135 HG3 0.14 -0.02 -0.02 -0.04 1.46 1.52 1dv9A8 LYS 135 HD2 0.31 -0.00 -0.13 -0.04 1.69 1.81 1dv9A8 LYS 135 HD3 0.18 0.00 -0.08 -0.04 1.68 1.74 1dv9A8 LYS 135 HE2 0.11 -0.03 -0.02 -0.04 2.99 3.00 1dv9A8 LYS 135 HE3 0.16 0.09 -0.18 -0.04 2.99 3.02 1dv9A8 PHE 136 H 0.27 0.34 -0.45 -0.55 8.34 7.94 1dv9A8 PHE 136 HA 0.02 -0.02 0.35 -0.75 4.62 4.21 1dv9A8 PHE 136 HB2 0.05 0.05 0.14 -0.04 3.15 3.35 1dv9A8 PHE 136 HB3 0.04 0.19 0.22 -0.04 3.06 3.47 1dv9A8 PHE 136 HD2 -0.01 0.02 -0.17 -0.04 7.28 7.08 1dv9A8 PHE 136 HE2 -0.04 -0.03 -0.16 -0.04 7.38 7.11 1dv9A8 PHE 136 HZ -0.02 0.03 -0.27 -0.04 7.32 7.02 1dv9A8 ASP 137 H 0.18 0.49 -0.32 -0.55 8.40 8.20 1dv9A8 ASP 137 HA -0.06 0.07 0.54 -0.75 4.63 4.42 1dv9A8 ASP 137 HB2 0.12 0.11 0.13 -0.04 2.71 3.03 1dv9A8 ASP 137 HB3 0.05 -0.01 -0.05 -0.04 2.70 2.66 1dv9A8 LYS 138 H 0.06 0.46 -0.07 -0.55 8.42 8.32 1dv9A8 LYS 138 HA 0.03 0.06 0.44 -0.75 4.32 4.09 1dv9A8 LYS 138 HB2 0.09 0.04 0.13 -0.04 1.87 2.09 1dv9A8 LYS 138 HB3 0.11 0.00 -0.05 -0.04 1.79 1.81 1dv9A8 LYS 138 HG2 0.02 0.00 0.02 -0.04 1.46 1.47 1dv9A8 LYS 138 HG3 0.04 -0.02 -0.02 -0.04 1.46 1.42 1dv9A8 LYS 138 HD2 0.02 -0.02 -0.04 -0.04 1.69 1.60 1dv9A8 LYS 138 HD3 0.04 -0.02 -0.10 -0.04 1.68 1.56 1dv9A8 LYS 138 HE2 0.05 0.02 -0.06 -0.04 2.99 2.96 1dv9A8 LYS 138 HE3 -0.02 0.02 -0.04 -0.04 2.99 2.91 1dv9A8 ALA 139 H -0.02 0.32 -0.46 -0.55 8.40 7.69 1dv9A8 ALA 139 HA 0.07 0.13 0.56 -0.75 4.34 4.35 1dv9A8 ALA 139 HB3 -0.20 0.00 -0.00 -0.04 1.41 1.17 1dv9A8 LEU 140 H -0.23 0.33 -0.13 -0.55 8.37 7.80 1dv9A8 LEU 140 HA -0.15 0.09 0.63 -0.75 4.35 4.17 1dv9A8 LEU 140 HB2 -0.46 0.16 0.13 -0.04 1.64 1.43 1dv9A8 LEU 140 HB3 -0.19 0.02 -0.05 -0.04 1.64 1.38 1dv9A8 LEU 140 HG -0.19 0.04 -0.03 -0.04 1.64 1.42 1dv9A8 LEU 140 HD13 -0.30 -0.02 -0.16 -0.04 0.93 0.40 1dv9A8 LEU 140 HD23 -0.65 0.00 -0.06 -0.04 0.89 0.13 1dv9A8 LYS 141 H -0.07 0.27 -0.30 -0.55 8.42 7.77 1dv9A8 LYS 141 HA -0.03 0.03 0.36 -0.75 4.32 3.92 1dv9A8 LYS 141 HB2 -0.01 0.06 0.12 -0.04 1.87 2.00 1dv9A8 LYS 141 HB3 -0.00 -0.00 0.07 -0.04 1.79 1.81 1dv9A8 LYS 141 HG2 -0.00 -0.00 -0.14 -0.04 1.46 1.27 1dv9A8 LYS 141 HG3 -0.01 -0.03 0.10 -0.04 1.46 1.49 1dv9A8 LYS 141 HD2 0.01 -0.02 -0.03 -0.04 1.69 1.60 1dv9A8 LYS 141 HD3 0.01 -0.02 -0.04 -0.04 1.68 1.58 1dv9A8 LYS 141 HE2 -0.00 0.00 -0.00 -0.04 2.99 2.95 1dv9A8 LYS 141 HE3 0.00 -0.05 -0.02 -0.04 2.99 2.89 1dv9A8 ALA 142 H -0.02 0.07 -0.82 -0.55 8.40 7.08 1dv9A8 ALA 142 HA -0.00 0.13 0.77 -0.75 4.34 4.48 1dv9A8 ALA 142 HB3 0.02 0.00 -0.03 -0.04 1.41 1.37 1dv9A8 LEU 143 H -0.04 0.12 -0.19 -0.55 8.37 7.72 1dv9A8 LEU 143 HA -0.01 0.13 0.86 -0.75 4.35 4.58 1dv9A8 LEU 143 HB2 -0.03 0.11 0.05 -0.04 1.64 1.72 1dv9A8 LEU 143 HB3 -0.02 -0.09 0.08 -0.04 1.64 1.56 1dv9A8 LEU 143 HG -0.07 -0.00 0.16 -0.04 1.64 1.69 1dv9A8 LEU 143 HD13 -0.07 -0.02 -0.04 -0.04 0.93 0.76 1dv9A8 LEU 143 HD23 -0.03 0.05 -0.13 -0.04 0.89 0.74 1dv9A8 PRO 144 HA 0.02 0.10 0.45 -0.51 4.44 4.49 1dv9A8 PRO 144 HB2 0.09 -0.02 -0.01 -0.04 2.28 2.31 1dv9A8 PRO 144 HB3 0.05 0.02 0.08 -0.04 2.02 2.13 1dv9A8 PRO 144 HG2 0.01 0.01 0.05 -0.04 2.03 2.06 1dv9A8 PRO 144 HG3 0.02 -0.02 0.07 -0.04 2.03 2.06 1dv9A8 PRO 144 HD2 -0.01 0.07 0.19 -0.04 3.68 3.88 1dv9A8 PRO 144 HD3 0.00 0.13 0.18 -0.04 3.65 3.91 1dv9A8 MET 145 H 0.04 0.14 0.01 -0.55 8.47 8.12 1dv9A8 MET 145 HA 0.05 0.10 0.52 -0.75 4.52 4.44 1dv9A8 MET 145 HB2 -0.01 0.03 -0.08 -0.04 2.15 2.06 1dv9A8 MET 145 HB3 0.01 -0.05 -0.07 -0.04 2.03 1.89 1dv9A8 MET 145 HG2 -0.04 0.23 -0.41 -0.04 2.63 2.37 1dv9A8 MET 145 HG3 -0.05 -0.07 -0.12 -0.04 2.56 2.27 1dv9A8 MET 145 HE3 -0.03 -0.03 -0.05 -0.04 2.10 1.94 1dv9A8 HIS 146 H 0.19 0.19 0.23 -0.55 8.41 8.48 1dv9A8 HIS 146 HA 0.00 0.07 0.59 -0.75 4.63 4.54 1dv9A8 HIS 146 HB2 0.00 0.13 0.27 -0.04 3.26 3.62 1dv9A8 HIS 146 HB3 0.01 -0.09 0.02 -0.04 3.20 3.08 1dv9A8 HIS 146 HD2 0.00 -0.07 0.09 -0.04 6.97 6.95 1dv9A8 HIS 146 HE1 -0.00 -0.02 0.02 -0.04 7.75 7.71 1dv9A8 ILE 147 H 0.08 0.42 0.00 -0.55 8.25 8.21 1dv9A8 ILE 147 HA 0.03 0.11 0.67 -0.75 4.18 4.25 1dv9A8 ILE 147 HB 0.06 0.02 -0.23 -0.04 1.89 1.70 1dv9A8 ILE 147 HG12 0.03 -0.03 -0.15 -0.04 1.49 1.30 1dv9A8 ILE 147 HG13 0.02 0.01 0.13 -0.04 1.21 1.33 1dv9A8 ILE 147 HG23 0.05 -0.04 -0.21 -0.04 0.93 0.69 1dv9A8 ILE 147 HD13 0.03 0.01 -0.01 -0.04 0.88 0.87 1dv9A8 ARG 148 H 0.02 0.19 0.18 -0.55 8.46 8.31 1dv9A8 ARG 148 HA 0.07 0.17 1.11 -0.75 4.34 4.94 1dv9A8 ARG 148 HB2 0.05 -0.02 -0.02 -0.04 1.90 1.86 1dv9A8 ARG 148 HB3 0.12 0.05 0.17 -0.04 1.80 2.11 1dv9A8 ARG 148 HG2 0.04 -0.05 -0.68 -0.04 1.67 0.94 1dv9A8 ARG 148 HG3 0.03 -0.00 -0.12 -0.04 1.67 1.54 1dv9A8 ARG 148 HD2 0.08 -0.03 -0.06 -0.04 3.22 3.17 1dv9A8 ARG 148 HD3 0.04 0.04 -0.09 -0.04 3.22 3.17 1dv9A8 LEU 149 H 0.06 0.57 0.46 -0.55 8.37 8.91 1dv9A8 LEU 149 HA -0.10 0.11 0.69 -0.75 4.35 4.29 1dv9A8 LEU 149 HB2 -0.01 -0.02 -0.10 -0.04 1.64 1.47 1dv9A8 LEU 149 HB3 -0.24 -0.04 -0.03 -0.04 1.64 1.29 1dv9A8 LEU 149 HG -0.05 0.30 -0.04 -0.04 1.64 1.81 1dv9A8 LEU 149 HD13 0.01 -0.00 -0.12 -0.04 0.93 0.78 1dv9A8 LEU 149 HD23 -0.21 -0.01 0.06 -0.04 0.89 0.69 1dv9A8 SER 150 H -0.32 0.25 0.17 -0.55 8.46 8.02 1dv9A8 SER 150 HA -0.10 0.14 0.87 -0.75 4.49 4.64 1dv9A8 SER 150 HB2 -0.07 0.04 0.07 -0.04 3.95 3.95 1dv9A8 SER 150 HB3 -0.08 0.05 -0.18 -0.04 3.93 3.68 1dv9A8 PHE 151 H 0.16 0.73 0.34 -0.55 8.34 9.01 1dv9A8 PHE 151 HA 0.01 0.12 0.98 -0.75 4.62 4.98 1dv9A8 PHE 151 HB2 0.01 0.10 0.12 -0.04 3.15 3.34 1dv9A8 PHE 151 HB3 0.03 -0.06 0.08 -0.04 3.06 3.07 1dv9A8 PHE 151 HD2 0.03 0.01 -0.30 -0.04 7.28 6.99 1dv9A8 PHE 151 HE2 0.09 -0.01 -0.19 -0.04 7.38 7.23 1dv9A8 PHE 151 HZ -0.08 0.03 -0.13 -0.04 7.32 7.10 1dv9A8 ASN 152 H 0.13 0.10 0.22 -0.55 8.53 8.43 1dv9A8 ASN 152 HA 0.05 0.29 0.92 -0.75 4.76 5.26 1dv9A8 ASN 152 HB2 0.03 0.05 0.11 -0.04 2.88 3.02 1dv9A8 ASN 152 HB3 0.02 -0.17 0.06 -0.04 2.79 2.67 1dv9A8 ASN 152 HD21 0.00 -0.00 0.00 -0.04 7.03 6.99 1dv9A8 ASN 152 HD22 -0.00 0.03 -0.01 -0.04 7.74 7.72 1dv9A8 PRO 153 HA -0.00 0.13 0.38 -0.51 4.44 4.44 1dv9A8 PRO 153 HB2 -0.00 0.02 0.09 -0.04 2.28 2.34 1dv9A8 PRO 153 HB3 -0.01 0.09 0.08 -0.04 2.02 2.14 1dv9A8 PRO 153 HG2 0.00 0.10 0.07 -0.04 2.03 2.15 1dv9A8 PRO 153 HG3 0.00 0.02 0.04 -0.04 2.03 2.05 1dv9A8 PRO 153 HD2 0.01 0.10 0.22 -0.04 3.68 3.97 1dv9A8 PRO 153 HD3 0.02 0.19 0.24 -0.04 3.65 4.05 1dv9A8 THR 154 H 0.01 0.13 -0.08 -0.55 8.28 7.79 1dv9A8 THR 154 HA -0.00 0.16 0.46 -0.75 4.39 4.25 1dv9A8 THR 154 HB 0.01 -0.01 -0.01 -0.04 4.32 4.27 1dv9A8 THR 154 HG23 -0.00 0.03 0.03 -0.04 1.22 1.23 1dv9A8 GLN 155 H 0.04 -0.06 -0.50 -0.55 8.47 7.41 1dv9A8 GLN 155 HA 0.05 0.13 0.48 -0.75 4.36 4.27 1dv9A8 GLN 155 HB2 0.07 -0.14 0.20 -0.04 2.15 2.25 1dv9A8 GLN 155 HB3 0.19 0.02 0.20 -0.04 2.02 2.40 1dv9A8 GLN 155 HG2 0.07 0.06 0.07 -0.04 2.40 2.56 1dv9A8 GLN 155 HG3 0.04 0.01 0.08 -0.04 2.39 2.47 1dv9A8 GLN 155 HE21 0.14 0.01 -0.03 -0.04 6.97 7.05 1dv9A8 GLN 155 HE22 0.30 0.03 -0.05 -0.04 7.69 7.93 1dv9A8 LEU 156 H 0.10 0.58 0.10 -0.55 8.37 8.60 1dv9A8 LEU 156 HA 0.04 0.02 0.39 -0.75 4.35 4.04 1dv9A8 LEU 156 HB2 -0.06 0.04 0.05 -0.04 1.64 1.63 1dv9A8 LEU 156 HB3 0.04 -0.05 0.08 -0.04 1.64 1.67 1dv9A8 LEU 156 HG -0.01 0.06 0.05 -0.04 1.64 1.70 1dv9A8 LEU 156 HD13 -0.13 0.00 -0.20 -0.04 0.93 0.56 1dv9A8 LEU 156 HD23 0.02 -0.05 -0.18 -0.04 0.89 0.63 1dv9A8 GLU 157 H -0.00 0.16 -0.58 -0.55 8.60 7.62 1dv9A8 GLU 157 HA -0.07 -0.00 0.32 -0.75 4.29 3.78 1dv9A8 GLU 157 HB2 -0.02 -0.02 0.23 -0.04 2.09 2.25 1dv9A8 GLU 157 HB3 -0.03 -0.01 -0.04 -0.04 1.99 1.88 1dv9A8 GLU 157 HG2 -0.06 -0.02 0.06 -0.04 2.34 2.28 1dv9A8 GLU 157 HG3 -0.04 0.05 0.01 -0.04 2.34 2.32 1dv9A8 GLU 158 H -0.01 0.25 -0.27 -0.55 8.60 8.02 1dv9A8 GLU 158 HA -0.02 0.03 0.57 -0.75 4.29 4.12 1dv9A8 GLU 158 HB2 -0.00 -0.07 0.12 -0.04 2.09 2.10 1dv9A8 GLU 158 HB3 0.00 -0.01 0.15 -0.04 1.99 2.10 1dv9A8 GLU 158 HG2 -0.01 -0.02 -0.01 -0.04 2.34 2.26 1dv9A8 GLU 158 HG3 -0.00 0.10 -0.07 -0.04 2.34 2.32 1dv9A8 GLN 159 H 0.00 0.26 0.06 -0.55 8.47 8.25 1dv9A8 GLN 159 HA -0.04 -0.03 0.32 -0.75 4.36 3.87 1dv9A8 GLN 159 HB2 -0.06 0.25 -0.58 -0.04 2.15 1.72 1dv9A8 GLN 159 HB3 -0.06 -0.22 0.19 -0.04 2.02 1.89 1dv9A8 GLN 159 HG2 -0.16 -0.07 0.12 -0.04 2.40 2.25 1dv9A8 GLN 159 HG3 -0.09 0.14 0.04 -0.04 2.39 2.43 1dv9A8 GLN 159 HE21 -0.05 0.04 0.05 -0.04 6.97 6.97 1dv9A8 GLN 159 HE22 -0.09 0.02 0.06 -0.04 7.69 7.63 1dv9A8 CYS 160 H -0.18 0.10 0.14 -0.55 8.50 8.01 1dv9A8 CYS 160 HA -0.09 0.05 0.35 -0.75 4.58 4.15 1dv9A8 CYS 160 HB2 -0.16 0.00 0.03 -0.04 2.97 2.80 1dv9A8 CYS 160 HB3 -0.22 -0.01 0.10 -0.04 2.97 2.81 1dv9A8 HIS 161 H 0.07 -0.02 -0.41 -0.55 8.41 7.51 1dv9A8 HIS 161 HA -0.07 -0.05 0.31 -0.75 4.63 4.07 1dv9A8 HIS 161 HB2 -0.07 0.14 0.08 -0.04 3.26 3.37 1dv9A8 HIS 161 HB3 -0.05 -0.05 0.02 -0.04 3.20 3.08 1dv9A8 HIS 161 HD2 -0.03 -0.04 0.04 -0.04 6.97 6.90 1dv9A8 HIS 161 HE1 -0.02 0.07 0.02 -0.04 7.75 7.77 1dv9A8 ILE 162 H 0.02 0.02 0.05 -0.55 8.25 7.79 1dv9A8 ILE 162 HA -0.01 0.31 0.70 -0.75 4.18 4.42 1dv9A8 ILE 162 HB -0.05 0.04 -0.02 -0.04 1.89 1.81 1dv9A8 ILE 162 HG12 -0.02 -0.04 0.03 -0.04 1.49 1.41 1dv9A8 ILE 162 HG13 -0.01 -0.01 0.05 -0.04 1.21 1.20 1dv9A8 ILE 162 HG23 -0.02 -0.02 0.06 -0.04 0.93 0.92 1dv9A8 ILE 162 HD13 -0.03 0.01 0.02 -0.04 0.88 0.84