============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 19 1.000 2.559 1.747 14.134 -99.200 -91.000 HIS 34 0.900 4.338 10.111 10.589 -99.200 -91.000 PHE 40 1.000 8.008 -11.241 15.884 -99.200 -91.000 TYR 51 0.840 9.750 -17.209 35.646 -99.200 -91.000 TRP 65 1.040 12.618 -16.525 18.376 -99.200 -91.000 TRP6 65 1.020 10.650 -15.632 17.406 -99.200 -91.000 PHE 77 1.000 14.390 3.603 19.918 -99.200 -91.000 HIS 86 0.900 9.374 -2.361 30.691 -99.200 -91.000 PHE 88 1.000 10.899 -11.665 33.751 -99.200 -91.000 PHE 116 1.000 5.646 16.190 40.673 -99.200 -91.000 TYR 133 0.840 4.843 1.075 37.028 -99.200 -91.000 PHE 137 1.000 8.073 5.522 39.365 -99.200 -91.000 TYR 140 0.840 15.864 7.044 37.413 -99.200 -91.000 TYR 160 0.840 -9.145 -6.736 35.108 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dx7B1 MET 1 HA 0.04 0.10 0.25 -0.75 4.52 4.16 2dx7B1 MET 1 HB2 0.03 -0.13 -0.04 -0.04 2.15 1.97 2dx7B1 MET 1 HB3 0.05 0.05 0.04 -0.04 2.03 2.12 2dx7B1 MET 1 HG2 0.02 0.04 0.05 -0.04 2.63 2.71 2dx7B1 MET 1 HG3 0.02 -0.08 0.02 -0.04 2.56 2.48 2dx7B1 MET 1 HE3 0.03 0.00 -0.14 -0.04 2.10 1.95 2dx7B1 LYS 2 H 0.09 0.54 0.35 -0.55 8.42 8.84 2dx7B1 LYS 2 HA 0.06 0.14 0.88 -0.75 4.32 4.65 2dx7B1 LYS 2 HB2 0.23 -0.00 0.09 -0.04 1.87 2.14 2dx7B1 LYS 2 HB3 0.24 -0.08 -0.01 -0.04 1.79 1.90 2dx7B1 LYS 2 HG2 0.09 -0.02 0.02 -0.04 1.46 1.51 2dx7B1 LYS 2 HG3 0.07 0.05 -0.03 -0.04 1.46 1.52 2dx7B1 LYS 2 HD2 0.07 0.14 -0.03 -0.04 1.69 1.83 2dx7B1 LYS 2 HD3 0.17 -0.08 -0.06 -0.04 1.68 1.68 2dx7B1 LYS 2 HE2 0.04 -0.04 0.01 -0.04 2.99 2.96 2dx7B1 LYS 2 HE3 0.02 0.00 0.02 -0.04 2.99 3.00 2dx7B1 THR 3 H 0.02 0.15 0.20 -0.55 8.28 8.10 2dx7B1 THR 3 HA -0.04 0.23 0.69 -0.75 4.39 4.52 2dx7B1 THR 3 HB -0.06 0.03 0.17 -0.04 4.32 4.42 2dx7B1 THR 3 HG23 -0.09 -0.03 -0.43 -0.04 1.22 0.63 2dx7B1 ILE 4 H -0.12 0.71 0.27 -0.55 8.25 8.56 2dx7B1 ILE 4 HA -0.99 0.07 0.62 -0.75 4.18 3.12 2dx7B1 ILE 4 HB -0.11 -0.01 0.16 -0.04 1.89 1.88 2dx7B1 ILE 4 HG12 0.09 -0.01 -0.07 -0.04 1.49 1.45 2dx7B1 ILE 4 HG13 0.00 0.17 0.02 -0.04 1.21 1.36 2dx7B1 ILE 4 HG23 -0.18 -0.04 -0.22 -0.04 0.93 0.45 2dx7B1 ILE 4 HD13 0.12 -0.00 -0.15 -0.04 0.88 0.81 2dx7B1 GLY 5 H -0.57 0.51 0.36 -0.55 8.43 8.18 2dx7B1 GLY 5 HA2 -0.16 0.26 1.03 -0.51 4.01 4.63 2dx7B1 GLY 5 HA3 -0.17 0.03 0.39 -0.51 4.01 3.75 2dx7B1 ILE 6 H -0.10 0.76 0.37 -0.55 8.25 8.73 2dx7B1 ILE 6 HA -0.03 0.26 1.13 -0.75 4.18 4.79 2dx7B1 ILE 6 HB -0.08 -0.08 0.11 -0.04 1.89 1.81 2dx7B1 ILE 6 HG12 -0.02 0.03 -0.24 -0.04 1.49 1.22 2dx7B1 ILE 6 HG13 -0.11 0.07 -0.38 -0.04 1.21 0.75 2dx7B1 ILE 6 HG23 0.02 -0.03 -0.23 -0.04 0.93 0.65 2dx7B1 ILE 6 HD13 -0.02 -0.00 -0.17 -0.04 0.88 0.64 2dx7B1 LEU 7 H 0.00 0.57 0.24 -0.55 8.37 8.63 2dx7B1 LEU 7 HA 0.03 0.14 0.69 -0.75 4.35 4.46 2dx7B1 LEU 7 HB2 -0.02 0.03 0.03 -0.04 1.64 1.64 2dx7B1 LEU 7 HB3 -0.01 -0.08 0.18 -0.04 1.64 1.69 2dx7B1 LEU 7 HG -0.05 0.02 -0.10 -0.04 1.64 1.46 2dx7B1 LEU 7 HD13 -0.04 0.03 -0.04 -0.04 0.93 0.85 2dx7B1 LEU 7 HD23 -0.00 0.00 -0.10 -0.04 0.89 0.75 2dx7B1 GLY 8 H 0.09 0.64 0.16 -0.55 8.43 8.77 2dx7B1 GLY 8 HA2 0.05 0.19 0.90 -0.51 4.01 4.64 2dx7B1 GLY 8 HA3 0.06 -0.06 0.25 -0.51 4.01 3.76 2dx7B1 GLY 9 H 0.06 0.16 -0.01 -0.55 8.43 8.09 2dx7B1 GLY 9 HA2 0.06 -0.01 0.05 -0.51 4.01 3.60 2dx7B1 GLY 9 HA3 0.08 0.13 0.34 -0.51 4.01 4.06 2dx7B1 MET 10 H 0.06 0.08 -0.23 -0.55 8.47 7.84 2dx7B1 MET 10 HA 0.05 0.23 0.90 -0.75 4.52 4.94 2dx7B1 MET 10 HB2 0.06 -0.01 0.07 -0.04 2.15 2.23 2dx7B1 MET 10 HB3 0.06 -0.09 0.07 -0.04 2.03 2.03 2dx7B1 MET 10 HG2 0.04 0.18 -0.32 -0.04 2.63 2.49 2dx7B1 MET 10 HG3 0.05 0.00 -0.61 -0.04 2.56 1.96 2dx7B1 MET 10 HE3 0.02 0.02 -0.19 -0.04 2.10 1.92 2dx7B1 GLY 11 H 0.05 -0.02 0.13 -0.55 8.43 8.05 2dx7B1 GLY 11 HA2 0.05 0.41 -0.19 -0.51 4.01 3.77 2dx7B1 GLY 11 HA3 0.05 0.11 0.23 -0.51 4.01 3.88 2dx7B1 PRO 12 HA 0.05 0.03 0.42 -0.51 4.44 4.43 2dx7B1 PRO 12 HB2 0.03 0.02 0.11 -0.04 2.28 2.40 2dx7B1 PRO 12 HB3 0.04 0.13 0.07 -0.04 2.02 2.21 2dx7B1 PRO 12 HG2 0.03 0.14 0.09 -0.04 2.03 2.25 2dx7B1 PRO 12 HG3 0.04 0.07 0.07 -0.04 2.03 2.18 2dx7B1 PRO 12 HD2 0.04 0.11 0.17 -0.04 3.68 3.96 2dx7B1 PRO 12 HD3 0.04 0.31 0.11 -0.04 3.65 4.07 2dx7B1 LEU 13 H 0.03 0.16 -0.08 -0.55 8.37 7.95 2dx7B1 LEU 13 HA 0.03 0.15 0.40 -0.75 4.35 4.18 2dx7B1 LEU 13 HB2 0.02 0.08 0.10 -0.04 1.64 1.80 2dx7B1 LEU 13 HB3 0.02 -0.09 0.06 -0.04 1.64 1.60 2dx7B1 LEU 13 HG 0.02 -0.03 -0.19 -0.04 1.64 1.40 2dx7B1 LEU 13 HD13 0.02 0.02 0.02 -0.04 0.93 0.95 2dx7B1 LEU 13 HD23 0.01 0.02 -0.02 -0.04 0.89 0.85 2dx7B1 ALA 14 H 0.04 0.05 -0.21 -0.55 8.40 7.73 2dx7B1 ALA 14 HA 0.04 0.05 0.41 -0.75 4.34 4.09 2dx7B1 ALA 14 HB3 0.05 0.03 0.09 -0.04 1.41 1.54 2dx7B1 THR 15 H 0.06 0.30 -0.33 -0.55 8.28 7.75 2dx7B1 THR 15 HA 0.07 0.06 0.43 -0.75 4.39 4.20 2dx7B1 THR 15 HB 0.06 0.22 0.18 -0.04 4.32 4.73 2dx7B1 THR 15 HG23 0.05 0.02 -0.17 -0.04 1.22 1.07 2dx7B1 ALA 16 H 0.06 0.45 -0.04 -0.55 8.40 8.33 2dx7B1 ALA 16 HA 0.15 0.07 0.45 -0.75 4.34 4.25 2dx7B1 ALA 16 HB3 0.06 0.02 0.09 -0.04 1.41 1.54 2dx7B1 GLU 17 H 0.06 0.45 -0.18 -0.55 8.60 8.38 2dx7B1 GLU 17 HA 0.03 0.07 0.43 -0.75 4.29 4.07 2dx7B1 GLU 17 HB2 0.03 0.02 0.07 -0.04 2.09 2.16 2dx7B1 GLU 17 HB3 0.04 0.04 0.12 -0.04 1.99 2.15 2dx7B1 GLU 17 HG2 0.03 -0.07 -0.05 -0.04 2.34 2.20 2dx7B1 GLU 17 HG3 0.03 -0.00 -0.23 -0.04 2.34 2.10 2dx7B1 LEU 18 H 0.08 0.45 -0.17 -0.55 8.37 8.19 2dx7B1 LEU 18 HA 0.08 0.01 0.36 -0.75 4.35 4.04 2dx7B1 LEU 18 HB2 0.08 -0.06 0.10 -0.04 1.64 1.72 2dx7B1 LEU 18 HB3 0.10 0.12 0.12 -0.04 1.64 1.94 2dx7B1 LEU 18 HG 0.11 0.07 -0.31 -0.04 1.64 1.47 2dx7B1 LEU 18 HD13 0.09 -0.02 -0.02 -0.04 0.93 0.93 2dx7B1 LEU 18 HD23 0.08 -0.02 -0.14 -0.04 0.89 0.77 2dx7B1 PHE 19 H 0.22 0.37 -0.26 -0.55 8.34 8.11 2dx7B1 PHE 19 HA 0.01 0.06 0.34 -0.75 4.62 4.29 2dx7B1 PHE 19 HB2 0.01 -0.01 0.07 -0.04 3.15 3.17 2dx7B1 PHE 19 HB3 0.00 0.10 0.12 -0.04 3.06 3.25 2dx7B1 PHE 19 HD2 -0.01 -0.03 0.02 -0.04 7.28 7.22 2dx7B1 PHE 19 HE2 -0.03 0.04 -0.04 -0.04 7.38 7.31 2dx7B1 PHE 19 HZ -0.04 0.04 -0.03 -0.04 7.32 7.25 2dx7B1 ARG 20 H 0.02 0.44 -0.16 -0.55 8.46 8.21 2dx7B1 ARG 20 HA -0.30 0.04 0.39 -0.75 4.34 3.71 2dx7B1 ARG 20 HB2 -0.08 0.04 0.13 -0.04 1.90 1.94 2dx7B1 ARG 20 HB3 -0.03 0.05 0.12 -0.04 1.80 1.90 2dx7B1 ARG 20 HG2 -0.07 -0.01 -0.10 -0.04 1.67 1.45 2dx7B1 ARG 20 HG3 -0.13 -0.00 0.04 -0.04 1.67 1.54 2dx7B1 ARG 20 HD2 -0.05 0.00 -0.02 -0.04 3.22 3.11 2dx7B1 ARG 20 HD3 -0.04 -0.02 -0.01 -0.04 3.22 3.10 2dx7B1 ARG 21 H 0.02 0.57 -0.17 -0.55 8.46 8.33 2dx7B1 ARG 21 HA 0.01 0.00 0.38 -0.75 4.34 3.97 2dx7B1 ARG 21 HB2 0.05 0.09 0.10 -0.04 1.90 2.10 2dx7B1 ARG 21 HB3 0.04 -0.03 -0.02 -0.04 1.80 1.74 2dx7B1 ARG 21 HG2 0.02 -0.02 -0.02 -0.04 1.67 1.61 2dx7B1 ARG 21 HG3 0.03 0.25 0.03 -0.04 1.67 1.93 2dx7B1 ARG 21 HD2 0.04 -0.04 -0.19 -0.04 3.22 2.99 2dx7B1 ARG 21 HD3 0.03 -0.02 -0.11 -0.04 3.22 3.08 2dx7B1 ILE 22 H 0.08 0.46 -0.25 -0.55 8.25 7.99 2dx7B1 ILE 22 HA 0.08 0.03 0.33 -0.75 4.18 3.87 2dx7B1 ILE 22 HB 0.21 0.12 0.15 -0.04 1.89 2.33 2dx7B1 ILE 22 HG12 0.12 0.06 0.05 -0.04 1.49 1.67 2dx7B1 ILE 22 HG13 0.12 0.02 0.05 -0.04 1.21 1.35 2dx7B1 ILE 22 HG23 0.16 0.00 -0.20 -0.04 0.93 0.85 2dx7B1 ILE 22 HD13 0.14 -0.04 -0.13 -0.04 0.88 0.80 2dx7B1 VAL 23 H -0.04 0.40 -0.16 -0.55 8.24 7.89 2dx7B1 VAL 23 HA 0.09 0.08 0.40 -0.75 4.13 3.95 2dx7B1 VAL 23 HB -0.19 0.05 0.17 -0.04 2.12 2.11 2dx7B1 VAL 23 HG13 -0.22 -0.01 -0.11 -0.04 0.97 0.59 2dx7B1 VAL 23 HG23 -0.39 0.04 0.02 -0.04 0.95 0.59 2dx7B1 ILE 24 H -0.02 0.50 -0.04 -0.55 8.25 8.14 2dx7B1 ILE 24 HA 0.02 0.03 0.41 -0.75 4.18 3.89 2dx7B1 ILE 24 HB -0.00 0.05 0.11 -0.04 1.89 2.00 2dx7B1 ILE 24 HG12 -0.02 -0.09 -0.00 -0.04 1.49 1.34 2dx7B1 ILE 24 HG13 -0.01 -0.01 0.03 -0.04 1.21 1.18 2dx7B1 ILE 24 HG23 0.01 -0.02 -0.13 -0.04 0.93 0.75 2dx7B1 ILE 24 HD13 -0.06 0.01 0.01 -0.04 0.88 0.80 2dx7B1 LYS 25 H 0.04 0.41 -0.41 -0.55 8.42 7.90 2dx7B1 LYS 25 HA 0.02 0.06 0.60 -0.75 4.32 4.25 2dx7B1 LYS 25 HB2 0.05 0.09 0.03 -0.04 1.87 1.99 2dx7B1 LYS 25 HB3 0.03 -0.08 0.10 -0.04 1.79 1.80 2dx7B1 LYS 25 HG2 0.03 0.18 0.01 -0.04 1.46 1.64 2dx7B1 LYS 25 HG3 0.03 -0.13 -0.04 -0.04 1.46 1.28 2dx7B1 LYS 25 HD2 0.02 0.04 -0.34 -0.04 1.69 1.36 2dx7B1 LYS 25 HD3 0.02 -0.12 -0.07 -0.04 1.68 1.47 2dx7B1 LYS 25 HE2 0.02 -0.08 -0.00 -0.04 2.99 2.88 2dx7B1 LYS 25 HE3 0.02 0.09 0.08 -0.04 2.99 3.13 2dx7B1 THR 26 H 0.08 0.38 -0.49 -0.55 8.28 7.70 2dx7B1 THR 26 HA 0.02 0.12 0.76 -0.75 4.39 4.54 2dx7B1 THR 26 HB 0.16 0.04 0.17 -0.04 4.32 4.65 2dx7B1 THR 26 HG23 -0.09 -0.03 -0.17 -0.04 1.22 0.90 2dx7B1 PRO 27 HA -0.04 0.04 0.54 -0.51 4.44 4.48 2dx7B1 PRO 27 HB2 -0.03 -0.04 0.06 -0.04 2.28 2.22 2dx7B1 PRO 27 HB3 -0.02 -0.00 0.07 -0.04 2.02 2.03 2dx7B1 PRO 27 HG2 -0.04 0.03 0.20 -0.04 2.03 2.19 2dx7B1 PRO 27 HG3 -0.02 -0.00 0.11 -0.04 2.03 2.08 2dx7B1 PRO 27 HD2 -0.01 0.08 0.25 -0.04 3.68 3.96 2dx7B1 PRO 27 HD3 -0.00 0.23 0.20 -0.04 3.65 4.04 2dx7B1 ALA 28 H -0.08 0.32 0.22 -0.55 8.40 8.30 2dx7B1 ALA 28 HA -0.12 0.10 0.70 -0.75 4.34 4.26 2dx7B1 ALA 28 HB3 -0.50 0.05 -0.18 -0.04 1.41 0.75 2dx7B1 LYS 29 H -0.04 0.16 0.14 -0.55 8.42 8.12 2dx7B1 LYS 29 HA -0.00 0.20 0.79 -0.75 4.32 4.55 2dx7B1 LYS 29 HB2 -0.00 -0.01 0.12 -0.04 1.87 1.93 2dx7B1 LYS 29 HB3 -0.01 0.03 0.03 -0.04 1.79 1.79 2dx7B1 LYS 29 HG2 -0.02 0.01 0.07 -0.04 1.46 1.49 2dx7B1 LYS 29 HG3 -0.00 -0.02 -0.13 -0.04 1.46 1.26 2dx7B1 LYS 29 HD2 -0.00 -0.02 -0.01 -0.04 1.69 1.61 2dx7B1 LYS 29 HD3 -0.01 0.02 -0.01 -0.04 1.68 1.64 2dx7B1 LYS 29 HE2 -0.01 0.05 -0.01 -0.04 2.99 2.98 2dx7B1 LYS 29 HE3 -0.00 -0.03 -0.03 -0.04 2.99 2.89 2dx7B1 ARG 30 H -0.01 0.19 0.01 -0.55 8.46 8.10 2dx7B1 ARG 30 HA 0.04 0.15 0.56 -0.75 4.34 4.34 2dx7B1 ARG 30 HB2 0.03 -0.07 0.08 -0.04 1.90 1.89 2dx7B1 ARG 30 HB3 0.02 0.16 -0.09 -0.04 1.80 1.84 2dx7B1 ARG 30 HG2 0.00 -0.06 -0.10 -0.04 1.67 1.47 2dx7B1 ARG 30 HG3 0.02 -0.09 -0.17 -0.04 1.67 1.39 2dx7B1 ARG 30 HD2 0.01 -0.01 -0.06 -0.04 3.22 3.12 2dx7B1 ARG 30 HD3 0.01 0.04 -0.07 -0.04 3.22 3.16 2dx7B1 ASP 31 H 0.06 0.16 0.11 -0.55 8.40 8.18 2dx7B1 ASP 31 HA 0.19 0.12 0.35 -0.75 4.63 4.53 2dx7B1 ASP 31 HB2 0.04 -0.08 0.15 -0.04 2.71 2.78 2dx7B1 ASP 31 HB3 0.05 0.08 -0.01 -0.04 2.70 2.78 2dx7B1 GLN 32 H 0.05 0.02 -0.13 -0.55 8.47 7.87 2dx7B1 GLN 32 HA 0.05 0.13 0.33 -0.75 4.36 4.12 2dx7B1 GLN 32 HB2 0.02 -0.05 -0.02 -0.04 2.15 2.06 2dx7B1 GLN 32 HB3 0.02 0.08 0.07 -0.04 2.02 2.15 2dx7B1 GLN 32 HG2 0.02 0.02 0.02 -0.04 2.40 2.41 2dx7B1 GLN 32 HG3 0.02 0.05 0.03 -0.04 2.39 2.46 2dx7B1 GLN 32 HE21 0.02 -0.03 0.02 -0.04 6.97 6.94 2dx7B1 GLN 32 HE22 0.02 0.06 -0.00 -0.04 7.69 7.73 2dx7B1 GLU 33 H 0.03 0.32 -0.52 -0.55 8.60 7.89 2dx7B1 GLU 33 HA -0.01 0.14 0.66 -0.75 4.29 4.33 2dx7B1 GLU 33 HB2 -0.09 -0.04 0.14 -0.04 2.09 2.06 2dx7B1 GLU 33 HB3 -0.09 0.13 0.16 -0.04 1.99 2.14 2dx7B1 GLU 33 HG2 -0.02 0.09 0.01 -0.04 2.34 2.39 2dx7B1 GLU 33 HG3 -0.01 -0.11 -0.08 -0.04 2.34 2.10 2dx7B1 HIS 34 H 0.14 0.43 -0.05 -0.55 8.41 8.38 2dx7B1 HIS 34 HA 0.03 0.11 0.53 -0.75 4.63 4.55 2dx7B1 HIS 34 HB2 0.03 0.07 0.13 -0.04 3.26 3.45 2dx7B1 HIS 34 HB3 0.05 0.05 -0.00 -0.04 3.20 3.25 2dx7B1 HIS 34 HD2 0.01 -0.03 -0.01 -0.04 6.97 6.89 2dx7B1 HIS 34 HE1 -0.01 0.25 0.06 -0.04 7.75 8.01 2dx7B1 PRO 35 HA 0.06 0.12 0.53 -0.51 4.44 4.64 2dx7B1 PRO 35 HB2 0.07 0.16 0.07 -0.04 2.28 2.54 2dx7B1 PRO 35 HB3 0.07 0.06 0.01 -0.04 2.02 2.12 2dx7B1 PRO 35 HG2 0.11 -0.05 -0.04 -0.04 2.03 2.01 2dx7B1 PRO 35 HG3 0.10 0.01 0.03 -0.04 2.03 2.13 2dx7B1 PRO 35 HD2 0.18 0.02 0.18 -0.04 3.68 4.01 2dx7B1 PRO 35 HD3 0.06 0.22 0.16 -0.04 3.65 4.06 2dx7B1 LYS 36 H 0.03 0.16 0.07 -0.55 8.42 8.13 2dx7B1 LYS 36 HA 0.02 0.05 0.41 -0.75 4.32 4.05 2dx7B1 LYS 36 HB2 -0.01 -0.00 0.05 -0.04 1.87 1.87 2dx7B1 LYS 36 HB3 -0.03 -0.02 -0.08 -0.04 1.79 1.62 2dx7B1 LYS 36 HG2 0.00 -0.02 0.00 -0.04 1.46 1.40 2dx7B1 LYS 36 HG3 0.01 0.06 0.01 -0.04 1.46 1.50 2dx7B1 LYS 36 HD2 -0.00 0.05 -0.03 -0.04 1.69 1.66 2dx7B1 LYS 36 HD3 -0.02 -0.01 -0.04 -0.04 1.68 1.57 2dx7B1 LYS 36 HE2 -0.00 0.00 -0.01 -0.04 2.99 2.94 2dx7B1 LYS 36 HE3 -0.00 -0.05 -0.01 -0.04 2.99 2.89 2dx7B1 VAL 37 H -0.04 0.21 0.15 -0.55 8.24 8.01 2dx7B1 VAL 37 HA -0.12 0.28 0.94 -0.75 4.13 4.47 2dx7B1 VAL 37 HB -0.21 -0.06 0.07 -0.04 2.12 1.88 2dx7B1 VAL 37 HG13 -0.34 -0.04 -0.22 -0.04 0.97 0.33 2dx7B1 VAL 37 HG23 0.10 0.06 -0.24 -0.04 0.95 0.83 2dx7B1 ILE 38 H -0.16 0.80 0.26 -0.55 8.25 8.61 2dx7B1 ILE 38 HA -0.14 0.15 0.91 -0.75 4.18 4.34 2dx7B1 ILE 38 HB -0.10 -0.05 0.08 -0.04 1.89 1.78 2dx7B1 ILE 38 HG12 -0.08 0.04 -0.15 -0.04 1.49 1.26 2dx7B1 ILE 38 HG13 -0.09 -0.06 -0.35 -0.04 1.21 0.67 2dx7B1 ILE 38 HG23 -0.07 -0.01 -0.16 -0.04 0.93 0.65 2dx7B1 ILE 38 HD13 -0.06 0.02 -0.33 -0.04 0.88 0.46 2dx7B1 ILE 39 H -0.18 0.24 0.12 -0.55 8.25 7.87 2dx7B1 ILE 39 HA -0.09 0.21 1.21 -0.75 4.18 4.76 2dx7B1 ILE 39 HB -0.19 -0.00 0.07 -0.04 1.89 1.73 2dx7B1 ILE 39 HG12 -0.29 0.01 -0.18 -0.04 1.49 1.00 2dx7B1 ILE 39 HG13 -0.43 0.00 -0.38 -0.04 1.21 0.36 2dx7B1 ILE 39 HG23 -0.05 -0.03 -0.20 -0.04 0.93 0.60 2dx7B1 ILE 39 HD13 -0.85 0.01 -0.07 -0.04 0.88 -0.08 2dx7B1 PHE 40 H 0.09 0.75 0.24 -0.55 8.34 8.87 2dx7B1 PHE 40 HA -0.03 0.23 1.00 -0.75 4.62 5.06 2dx7B1 PHE 40 HB2 -0.08 0.04 -0.06 -0.04 3.15 3.01 2dx7B1 PHE 40 HB3 -0.04 -0.06 0.19 -0.04 3.06 3.11 2dx7B1 PHE 40 HD2 -0.04 -0.03 -0.42 -0.04 7.28 6.75 2dx7B1 PHE 40 HE2 0.04 0.00 -0.08 -0.04 7.38 7.30 2dx7B1 PHE 40 HZ 0.37 -0.01 -0.04 -0.04 7.32 7.60 2dx7B1 ASN 41 H -0.01 0.29 -0.07 -0.55 8.53 8.19 2dx7B1 ASN 41 HA 0.12 -0.11 0.25 -0.75 4.76 4.27 2dx7B1 ASN 41 HB2 0.03 0.02 -0.02 -0.04 2.88 2.86 2dx7B1 ASN 41 HB3 0.02 0.08 0.15 -0.04 2.79 3.00 2dx7B1 ASN 41 HD21 0.05 -0.06 -0.02 -0.04 7.03 6.96 2dx7B1 ASN 41 HD22 0.04 0.08 0.00 -0.04 7.74 7.82 2dx7B1 ASN 42 H 0.18 0.63 -0.08 -0.55 8.53 8.71 2dx7B1 ASN 42 HA 0.25 0.22 0.95 -0.75 4.76 5.42 2dx7B1 ASN 42 HB2 0.25 0.04 -0.12 -0.04 2.88 3.01 2dx7B1 ASN 42 HB3 0.11 0.08 0.16 -0.04 2.79 3.10 2dx7B1 ASN 42 HD21 -0.05 0.00 -0.08 -0.04 7.03 6.87 2dx7B1 ASN 42 HD22 0.16 0.05 -0.03 -0.04 7.74 7.88 2dx7B1 PRO 43 HA 0.05 0.32 0.58 -0.51 4.44 4.88 2dx7B1 PRO 43 HB2 0.04 0.05 0.01 -0.04 2.28 2.33 2dx7B1 PRO 43 HB3 0.04 -0.01 0.17 -0.04 2.02 2.17 2dx7B1 PRO 43 HG2 0.05 0.06 0.04 -0.04 2.03 2.14 2dx7B1 PRO 43 HG3 0.06 -0.10 0.01 -0.04 2.03 1.95 2dx7B1 PRO 43 HD2 0.08 0.13 0.14 -0.04 3.68 3.99 2dx7B1 PRO 43 HD3 0.11 0.32 -0.40 -0.04 3.65 3.65 2dx7B1 GLN 44 H 0.04 0.07 -0.43 -0.55 8.47 7.60 2dx7B1 GLN 44 HA -0.01 0.13 0.50 -0.75 4.36 4.23 2dx7B1 GLN 44 HB2 -0.04 0.00 -0.02 -0.04 2.15 2.04 2dx7B1 GLN 44 HB3 -0.07 0.01 0.07 -0.04 2.02 1.98 2dx7B1 GLN 44 HG2 -0.04 0.03 -0.01 -0.04 2.40 2.33 2dx7B1 GLN 44 HG3 -0.02 0.01 -0.02 -0.04 2.39 2.32 2dx7B1 GLN 44 HE21 0.02 -0.00 -0.07 -0.04 6.97 6.88 2dx7B1 GLN 44 HE22 0.00 0.03 -0.11 -0.04 7.69 7.57 2dx7B1 ILE 45 H 0.01 0.27 -0.47 -0.55 8.25 7.50 2dx7B1 ILE 45 HA -0.05 0.02 0.39 -0.75 4.18 3.79 2dx7B1 ILE 45 HB 0.01 -0.02 0.00 -0.04 1.89 1.85 2dx7B1 ILE 45 HG12 -0.01 -0.07 -0.17 -0.04 1.49 1.20 2dx7B1 ILE 45 HG13 0.02 0.02 0.00 -0.04 1.21 1.22 2dx7B1 ILE 45 HG23 -0.04 0.03 -0.13 -0.04 0.93 0.75 2dx7B1 ILE 45 HD13 0.02 -0.01 -0.06 -0.04 0.88 0.79 2dx7B1 PRO 46 HA -0.02 -0.01 0.35 -0.51 4.44 4.25 2dx7B1 PRO 46 HB2 -0.11 0.04 -0.23 -0.04 2.28 1.94 2dx7B1 PRO 46 HB3 -0.05 -0.05 -0.02 -0.04 2.02 1.86 2dx7B1 PRO 46 HG2 -0.12 0.13 -0.10 -0.04 2.03 1.91 2dx7B1 PRO 46 HG3 -0.07 0.06 0.05 -0.04 2.03 2.02 2dx7B1 PRO 46 HD2 -0.11 0.00 0.22 -0.04 3.68 3.74 2dx7B1 PRO 46 HD3 -0.09 0.19 0.28 -0.04 3.65 3.99 2dx7B1 ASP 47 H 0.02 0.07 0.13 -0.55 8.40 8.08 2dx7B1 ASP 47 HA 0.05 0.05 0.41 -0.75 4.63 4.38 2dx7B1 ASP 47 HB2 0.04 0.12 0.16 -0.04 2.71 2.99 2dx7B1 ASP 47 HB3 0.06 -0.05 0.10 -0.04 2.70 2.77 2dx7B1 ARG 48 H 0.09 0.08 0.17 -0.55 8.46 8.25 2dx7B1 ARG 48 HA 0.17 0.25 0.44 -0.75 4.34 4.45 2dx7B1 ARG 48 HB2 0.17 -0.20 0.04 -0.04 1.90 1.88 2dx7B1 ARG 48 HB3 0.38 0.09 -0.21 -0.04 1.80 2.02 2dx7B1 ARG 48 HG2 0.20 -0.12 -0.10 -0.04 1.67 1.60 2dx7B1 ARG 48 HG3 0.14 0.09 -0.06 -0.04 1.67 1.80 2dx7B1 ARG 48 HD2 0.03 0.07 -0.08 -0.04 3.22 3.20 2dx7B1 ARG 48 HD3 0.04 0.32 -0.00 -0.04 3.22 3.54 2dx7B1 THR 49 H 0.12 0.03 -0.00 -0.55 8.28 7.88 2dx7B1 THR 49 HA 0.12 0.15 0.35 -0.75 4.39 4.25 2dx7B1 THR 49 HB 0.08 -0.01 0.03 -0.04 4.32 4.37 2dx7B1 THR 49 HG23 0.05 0.03 -0.08 -0.04 1.22 1.18 2dx7B1 ALA 50 H 0.09 -0.00 -0.36 -0.55 8.40 7.58 2dx7B1 ALA 50 HA 0.05 0.03 0.24 -0.75 4.34 3.90 2dx7B1 ALA 50 HB3 0.06 0.02 -0.03 -0.04 1.41 1.42 2dx7B1 TYR 51 H 0.22 0.23 -0.47 -0.55 8.29 7.72 2dx7B1 TYR 51 HA 0.04 0.40 0.27 -0.75 4.56 4.51 2dx7B1 TYR 51 HB2 0.01 0.14 -0.13 -0.04 3.06 3.03 2dx7B1 TYR 51 HB3 0.08 -0.01 0.07 -0.04 2.98 3.07 2dx7B1 TYR 51 HD2 0.16 0.19 -0.18 -0.04 7.15 7.28 2dx7B1 TYR 51 HE2 0.14 -0.03 -0.01 -0.04 6.85 6.91 2dx7B1 ILE 52 H 0.19 0.27 -0.19 -0.55 8.25 7.96 2dx7B1 ILE 52 HA -0.06 0.09 0.46 -0.75 4.18 3.91 2dx7B1 ILE 52 HB 0.08 -0.07 0.15 -0.04 1.89 2.02 2dx7B1 ILE 52 HG12 0.19 0.03 0.01 -0.04 1.49 1.68 2dx7B1 ILE 52 HG13 0.42 0.21 0.03 -0.04 1.21 1.84 2dx7B1 ILE 52 HG23 0.00 -0.01 -0.08 -0.04 0.93 0.80 2dx7B1 ILE 52 HD13 -0.00 -0.05 -0.04 -0.04 0.88 0.74 2dx7B1 LEU 53 H 0.02 0.41 -0.11 -0.55 8.37 8.15 2dx7B1 LEU 53 HA -0.02 0.21 0.80 -0.75 4.35 4.58 2dx7B1 LEU 53 HB2 0.01 -0.05 -0.01 -0.04 1.64 1.55 2dx7B1 LEU 53 HB3 -0.00 -0.04 0.01 -0.04 1.64 1.56 2dx7B1 LEU 53 HG 0.02 -0.02 -0.05 -0.04 1.64 1.55 2dx7B1 LEU 53 HD13 0.01 -0.04 -0.06 -0.04 0.93 0.80 2dx7B1 LEU 53 HD23 -0.00 0.04 -0.18 -0.04 0.89 0.71 2dx7B1 GLY 54 H -0.03 0.45 -0.24 -0.55 8.43 8.06 2dx7B1 GLY 54 HA2 -0.03 0.13 0.55 -0.51 4.01 4.15 2dx7B1 GLY 54 HA3 -0.01 -0.20 0.36 -0.51 4.01 3.65 2dx7B1 LYS 55 H 0.00 -0.03 0.08 -0.55 8.42 7.92 2dx7B1 LYS 55 HA 0.01 0.09 0.38 -0.75 4.32 4.05 2dx7B1 LYS 55 HB2 0.02 -0.24 0.22 -0.04 1.87 1.83 2dx7B1 LYS 55 HB3 0.02 0.03 0.12 -0.04 1.79 1.92 2dx7B1 LYS 55 HG2 0.01 0.06 0.06 -0.04 1.46 1.54 2dx7B1 LYS 55 HG3 0.01 -0.03 0.13 -0.04 1.46 1.52 2dx7B1 LYS 55 HD2 0.01 -0.05 0.05 -0.04 1.69 1.66 2dx7B1 LYS 55 HD3 0.01 0.02 0.04 -0.04 1.68 1.70 2dx7B1 LYS 55 HE2 0.00 0.04 0.02 -0.04 2.99 3.01 2dx7B1 LYS 55 HE3 0.00 -0.00 0.03 -0.04 2.99 2.97 2dx7B1 GLY 56 H 0.04 -0.04 0.01 -0.55 8.43 7.90 2dx7B1 GLY 56 HA2 0.06 -0.14 0.34 -0.51 4.01 3.76 2dx7B1 GLY 56 HA3 0.12 -0.01 -0.07 -0.51 4.01 3.54 2dx7B1 GLU 57 H 0.04 -0.02 0.09 -0.55 8.60 8.16 2dx7B1 GLU 57 HA 0.04 0.11 0.46 -0.75 4.29 4.15 2dx7B1 GLU 57 HB2 -0.01 0.00 0.08 -0.04 2.09 2.13 2dx7B1 GLU 57 HB3 -0.03 -0.08 0.10 -0.04 1.99 1.94 2dx7B1 GLU 57 HG2 -0.11 0.18 -0.31 -0.04 2.34 2.06 2dx7B1 GLU 57 HG3 -0.06 -0.04 0.07 -0.04 2.34 2.27 2dx7B1 ASP 58 H -0.11 0.10 0.16 -0.55 8.40 8.00 2dx7B1 ASP 58 HA -1.38 0.17 0.46 -0.75 4.63 3.12 2dx7B1 ASP 58 HB2 -0.24 0.09 0.17 -0.04 2.71 2.68 2dx7B1 ASP 58 HB3 -0.24 -0.04 0.17 -0.04 2.70 2.54 2dx7B1 PRO 59 HA -0.23 0.12 0.60 -0.51 4.44 4.43 2dx7B1 PRO 59 HB2 -0.23 -0.06 -0.04 -0.04 2.28 1.91 2dx7B1 PRO 59 HB3 -0.17 0.20 -0.17 -0.04 2.02 1.84 2dx7B1 PRO 59 HG2 -1.02 -0.02 -0.02 -0.04 2.03 0.93 2dx7B1 PRO 59 HG3 -0.30 -0.03 -0.02 -0.04 2.03 1.63 2dx7B1 PRO 59 HD2 -1.31 0.07 0.20 -0.04 3.68 2.61 2dx7B1 PRO 59 HD3 -0.45 0.37 0.17 -0.04 3.65 3.70 2dx7B1 ARG 60 H -0.54 0.15 -0.16 -0.55 8.46 7.35 2dx7B1 ARG 60 HA -0.25 0.01 0.34 -0.75 4.34 3.68 2dx7B1 ARG 60 HB2 -0.23 0.05 0.04 -0.04 1.90 1.73 2dx7B1 ARG 60 HB3 -0.12 0.05 -0.05 -0.04 1.80 1.64 2dx7B1 ARG 60 HG2 -0.33 -0.03 0.02 -0.04 1.67 1.29 2dx7B1 ARG 60 HG3 -0.64 -0.01 0.04 -0.04 1.67 1.02 2dx7B1 ARG 60 HD2 0.01 0.02 -0.01 -0.04 3.22 3.20 2dx7B1 ARG 60 HD3 0.20 -0.01 0.02 -0.04 3.22 3.38 2dx7B1 PRO 61 HA -0.04 0.09 0.39 -0.51 4.44 4.38 2dx7B1 PRO 61 HB2 -0.10 0.02 0.03 -0.04 2.28 2.19 2dx7B1 PRO 61 HB3 -0.06 0.06 0.04 -0.04 2.02 2.02 2dx7B1 PRO 61 HG2 -0.10 0.08 0.03 -0.04 2.03 1.99 2dx7B1 PRO 61 HG3 -0.08 0.05 0.02 -0.04 2.03 1.98 2dx7B1 PRO 61 HD2 -0.20 0.34 -0.26 -0.04 3.68 3.52 2dx7B1 PRO 61 HD3 -0.19 0.02 -0.03 -0.04 3.65 3.41 2dx7B1 GLN 62 H -0.11 0.23 -0.23 -0.55 8.47 7.81 2dx7B1 GLN 62 HA -0.01 0.06 0.44 -0.75 4.36 4.10 2dx7B1 GLN 62 HB2 -0.09 0.10 0.15 -0.04 2.15 2.26 2dx7B1 GLN 62 HB3 -0.05 -0.03 -0.06 -0.04 2.02 1.84 2dx7B1 GLN 62 HG2 -0.14 -0.02 -0.00 -0.04 2.40 2.19 2dx7B1 GLN 62 HG3 -0.12 0.13 -0.02 -0.04 2.39 2.34 2dx7B1 GLN 62 HE21 -0.35 -0.01 -0.09 -0.04 6.97 6.47 2dx7B1 GLN 62 HE22 -0.14 0.02 -0.31 -0.04 7.69 7.22 2dx7B1 LEU 63 H -0.08 0.54 -0.06 -0.55 8.37 8.21 2dx7B1 LEU 63 HA -0.02 0.01 0.38 -0.75 4.35 3.97 2dx7B1 LEU 63 HB2 -0.09 0.07 0.11 -0.04 1.64 1.68 2dx7B1 LEU 63 HB3 -0.03 -0.02 -0.07 -0.04 1.64 1.48 2dx7B1 LEU 63 HG -0.09 0.10 -0.04 -0.04 1.64 1.56 2dx7B1 LEU 63 HD13 -0.12 -0.03 -0.16 -0.04 0.93 0.58 2dx7B1 LEU 63 HD23 -0.01 -0.02 -0.06 -0.04 0.89 0.76 2dx7B1 ILE 64 H -0.02 0.70 -0.11 -0.55 8.25 8.27 2dx7B1 ILE 64 HA -0.02 0.02 0.41 -0.75 4.18 3.83 2dx7B1 ILE 64 HB 0.01 0.09 0.11 -0.04 1.89 2.05 2dx7B1 ILE 64 HG12 -0.01 0.00 -0.02 -0.04 1.49 1.42 2dx7B1 ILE 64 HG13 -0.03 -0.03 -0.01 -0.04 1.21 1.11 2dx7B1 ILE 64 HG23 -0.00 0.01 -0.12 -0.04 0.93 0.77 2dx7B1 ILE 64 HD13 -0.01 -0.01 -0.12 -0.04 0.88 0.70 2dx7B1 TRP 65 H 0.16 0.52 -0.16 -0.55 7.97 7.94 2dx7B1 TRP 65 HA -0.09 0.03 0.36 -0.75 4.62 4.17 2dx7B1 TRP 65 HB2 -0.10 0.07 0.13 -0.04 3.23 3.30 2dx7B1 TRP 65 HB3 -0.14 0.07 0.17 -0.04 3.23 3.30 2dx7B1 TRP 65 HD1 -0.06 0.01 0.00 -0.04 7.22 7.13 2dx7B1 TRP 65 HE1 -0.04 0.00 -0.03 -0.04 10.20 10.10 2dx7B1 TRP 65 HE3 -0.31 0.07 -0.14 -0.04 7.59 7.16 2dx7B1 TRP 65 HZ2 0.01 0.01 -0.04 -0.04 7.44 7.38 2dx7B1 TRP 65 HZ3 -0.58 -0.03 -0.07 -0.04 7.13 6.40 2dx7B1 TRP 65 HH2 0.16 -0.00 -0.04 -0.04 7.19 7.27 2dx7B1 THR 66 H 0.11 0.58 -0.20 -0.55 8.28 8.22 2dx7B1 THR 66 HA -0.74 -0.00 0.40 -0.75 4.39 3.30 2dx7B1 THR 66 HB -0.09 0.11 0.13 -0.04 4.32 4.43 2dx7B1 THR 66 HG23 -0.32 -0.03 -0.01 -0.04 1.22 0.82 2dx7B1 ALA 67 H -0.11 0.56 -0.11 -0.55 8.40 8.19 2dx7B1 ALA 67 HA -0.10 -0.04 0.35 -0.75 4.34 3.80 2dx7B1 ALA 67 HB3 -0.06 0.03 0.04 -0.04 1.41 1.38 2dx7B1 LYS 68 H -0.18 0.71 -0.14 -0.55 8.42 8.25 2dx7B1 LYS 68 HA -0.12 0.01 0.40 -0.75 4.32 3.85 2dx7B1 LYS 68 HB2 -0.25 0.10 0.13 -0.04 1.87 1.81 2dx7B1 LYS 68 HB3 -0.17 -0.06 0.02 -0.04 1.79 1.54 2dx7B1 LYS 68 HG2 -0.07 0.02 0.03 -0.04 1.46 1.39 2dx7B1 LYS 68 HG3 -0.08 0.12 0.01 -0.04 1.46 1.47 2dx7B1 LYS 68 HD2 -0.04 -0.07 -0.06 -0.04 1.69 1.48 2dx7B1 LYS 68 HD3 -0.06 -0.05 0.01 -0.04 1.68 1.54 2dx7B1 LYS 68 HE2 -0.03 0.22 0.09 -0.04 2.99 3.23 2dx7B1 LYS 68 HE3 -0.02 -0.05 -0.00 -0.04 2.99 2.87 2dx7B1 ARG 69 H -0.50 0.44 -0.30 -0.55 8.46 7.55 2dx7B1 ARG 69 HA -0.31 0.03 0.45 -0.75 4.34 3.75 2dx7B1 ARG 69 HB2 -0.78 0.14 0.20 -0.04 1.90 1.42 2dx7B1 ARG 69 HB3 -0.20 -0.05 -0.05 -0.04 1.80 1.45 2dx7B1 ARG 69 HG2 -1.51 0.10 0.02 -0.04 1.67 0.24 2dx7B1 ARG 69 HG3 -1.04 -0.06 -0.01 -0.04 1.67 0.51 2dx7B1 ARG 69 HD2 -0.16 -0.02 0.00 -0.04 3.22 3.00 2dx7B1 ARG 69 HD3 -0.31 0.01 0.03 -0.04 3.22 2.91 2dx7B1 LEU 70 H -0.19 0.55 -0.08 -0.55 8.37 8.10 2dx7B1 LEU 70 HA -0.03 -0.02 0.29 -0.75 4.35 3.83 2dx7B1 LEU 70 HB2 -0.09 0.19 0.11 -0.04 1.64 1.82 2dx7B1 LEU 70 HB3 -0.07 -0.05 -0.08 -0.04 1.64 1.40 2dx7B1 LEU 70 HG -0.02 0.10 -0.01 -0.04 1.64 1.67 2dx7B1 LEU 70 HD13 -0.03 -0.03 -0.32 -0.04 0.93 0.51 2dx7B1 LEU 70 HD23 0.01 -0.03 -0.13 -0.04 0.89 0.70 2dx7B1 GLU 71 H -0.10 0.49 -0.30 -0.55 8.60 8.14 2dx7B1 GLU 71 HA -0.05 0.12 0.38 -0.75 4.29 3.98 2dx7B1 GLU 71 HB2 -0.06 -0.03 0.07 -0.04 2.09 2.03 2dx7B1 GLU 71 HB3 -0.08 0.12 0.17 -0.04 1.99 2.17 2dx7B1 GLU 71 HG2 -0.04 0.04 -0.18 -0.04 2.34 2.12 2dx7B1 GLU 71 HG3 -0.03 0.06 0.03 -0.04 2.34 2.36 2dx7B1 GLU 72 H -0.10 0.59 -0.06 -0.55 8.60 8.47 2dx7B1 GLU 72 HA -0.05 0.00 0.39 -0.75 4.29 3.87 2dx7B1 GLU 72 HB2 -0.09 -0.01 0.15 -0.04 2.09 2.09 2dx7B1 GLU 72 HB3 -0.11 0.06 0.19 -0.04 1.99 2.10 2dx7B1 GLU 72 HG2 -0.05 0.02 -0.16 -0.04 2.34 2.11 2dx7B1 GLU 72 HG3 -0.05 -0.04 0.05 -0.04 2.34 2.26 2dx7B1 CYS 73 H -0.07 0.59 -0.21 -0.55 8.50 8.27 2dx7B1 CYS 73 HA -0.04 0.02 0.49 -0.75 4.58 4.30 2dx7B1 CYS 73 HB2 -0.04 -0.01 0.01 -0.04 2.97 2.89 2dx7B1 CYS 73 HB3 -0.04 -0.08 0.07 -0.04 2.97 2.88 2dx7B1 GLY 74 H -0.05 0.39 -0.39 -0.55 8.43 7.83 2dx7B1 GLY 74 HA2 -0.03 0.03 0.24 -0.51 4.01 3.73 2dx7B1 GLY 74 HA3 -0.04 0.13 0.94 -0.51 4.01 4.53 2dx7B1 ALA 75 H -0.06 0.47 0.10 -0.55 8.40 8.35 2dx7B1 ALA 75 HA -0.10 0.00 0.29 -0.75 4.34 3.78 2dx7B1 ALA 75 HB3 -0.11 -0.01 -0.11 -0.04 1.41 1.14 2dx7B1 ASP 76 H -0.11 0.58 0.37 -0.55 8.40 8.69 2dx7B1 ASP 76 HA 0.03 0.13 0.73 -0.75 4.63 4.78 2dx7B1 ASP 76 HB2 0.09 0.07 0.22 -0.04 2.71 3.05 2dx7B1 ASP 76 HB3 0.16 -0.01 0.10 -0.04 2.70 2.90 2dx7B1 PHE 77 H -0.22 0.27 0.24 -0.55 8.34 8.08 2dx7B1 PHE 77 HA -0.00 0.26 0.53 -0.75 4.62 4.65 2dx7B1 PHE 77 HB2 0.01 -0.04 0.06 -0.04 3.15 3.14 2dx7B1 PHE 77 HB3 0.00 0.13 -0.17 -0.04 3.06 2.98 2dx7B1 PHE 77 HD2 0.01 0.01 -0.28 -0.04 7.28 6.98 2dx7B1 PHE 77 HE2 0.02 0.00 -0.21 -0.04 7.38 7.15 2dx7B1 PHE 77 HZ 0.02 0.12 -0.01 -0.04 7.32 7.41 2dx7B1 ILE 78 H 0.21 0.52 0.35 -0.55 8.25 8.77 2dx7B1 ILE 78 HA -0.08 0.39 1.23 -0.75 4.18 4.96 2dx7B1 ILE 78 HB 0.04 -0.02 0.02 -0.04 1.89 1.89 2dx7B1 ILE 78 HG12 -0.06 -0.02 -0.16 -0.04 1.49 1.21 2dx7B1 ILE 78 HG13 -0.02 -0.01 -0.55 -0.04 1.21 0.58 2dx7B1 ILE 78 HG23 -0.00 -0.04 -0.20 -0.04 0.93 0.64 2dx7B1 ILE 78 HD13 -0.04 0.01 -0.13 -0.04 0.88 0.68 2dx7B1 ILE 79 H 0.01 0.68 0.46 -0.55 8.25 8.85 2dx7B1 ILE 79 HA 0.15 0.27 0.91 -0.75 4.18 4.75 2dx7B1 ILE 79 HB 0.13 -0.10 0.01 -0.04 1.89 1.89 2dx7B1 ILE 79 HG12 0.02 0.21 0.03 -0.04 1.49 1.71 2dx7B1 ILE 79 HG13 0.06 -0.12 -0.16 -0.04 1.21 0.94 2dx7B1 ILE 79 HG23 0.30 0.04 -0.14 -0.04 0.93 1.09 2dx7B1 ILE 79 HD13 0.10 0.00 -0.16 -0.04 0.88 0.78 2dx7B1 MET 80 H 0.15 0.16 0.13 -0.55 8.47 8.36 2dx7B1 MET 80 HA 0.04 0.36 0.93 -0.75 4.52 5.10 2dx7B1 MET 80 HB2 -0.06 0.06 -0.19 -0.04 2.15 1.92 2dx7B1 MET 80 HB3 -0.21 -0.11 0.15 -0.04 2.03 1.82 2dx7B1 MET 80 HG2 -0.06 -0.17 -0.14 -0.04 2.63 2.22 2dx7B1 MET 80 HG3 -0.01 0.34 0.03 -0.04 2.56 2.87 2dx7B1 MET 80 HE3 -0.51 0.00 -0.23 -0.04 2.10 1.32 2dx7B1 PRO 81 HA 0.12 0.06 0.50 -0.51 4.44 4.61 2dx7B1 PRO 81 HB2 0.08 -0.04 0.01 -0.04 2.28 2.29 2dx7B1 PRO 81 HB3 0.08 0.07 0.02 -0.04 2.02 2.15 2dx7B1 PRO 81 HG2 0.07 -0.10 -0.02 -0.04 2.03 1.94 2dx7B1 PRO 81 HG3 0.06 0.06 -0.03 -0.04 2.03 2.08 2dx7B1 PRO 81 HD2 0.05 0.44 0.06 -0.04 3.68 4.19 2dx7B1 PRO 81 HD3 0.07 0.15 -0.12 -0.04 3.65 3.71 2dx7B1 ALA 82 H 0.20 0.68 0.02 -0.55 8.40 8.76 2dx7B1 ALA 82 HA 0.11 0.07 0.64 -0.75 4.34 4.41 2dx7B1 ALA 82 HB3 0.08 0.02 -0.05 -0.04 1.41 1.42 2dx7B1 ASN 83 H 0.14 0.13 0.17 -0.55 8.53 8.42 2dx7B1 ASN 83 HA 0.14 0.19 0.63 -0.75 4.76 4.96 2dx7B1 ASN 83 HB2 0.15 -0.13 0.26 -0.04 2.88 3.12 2dx7B1 ASN 83 HB3 0.21 0.04 0.05 -0.04 2.79 3.05 2dx7B1 ASN 83 HD21 0.13 0.28 0.17 -0.04 7.03 7.56 2dx7B1 ASN 83 HD22 0.13 -0.15 0.18 -0.04 7.74 7.86 2dx7B1 THR 84 H 0.12 0.09 0.12 -0.55 8.28 8.06 2dx7B1 THR 84 HA 0.07 0.15 0.39 -0.75 4.39 4.24 2dx7B1 THR 84 HB 0.10 0.15 0.01 -0.04 4.32 4.54 2dx7B1 THR 84 HG23 0.09 0.00 0.02 -0.04 1.22 1.29 2dx7B1 ALA 85 H 0.13 0.05 -0.57 -0.55 8.40 7.46 2dx7B1 ALA 85 HA 0.29 0.10 0.32 -0.75 4.34 4.30 2dx7B1 ALA 85 HB3 0.04 0.05 -0.07 -0.04 1.41 1.40 2dx7B1 HIS 86 H 0.17 0.47 -0.35 -0.55 8.41 8.15 2dx7B1 HIS 86 HA 0.03 0.08 0.44 -0.75 4.63 4.42 2dx7B1 HIS 86 HB2 -0.05 0.22 0.16 -0.04 3.26 3.55 2dx7B1 HIS 86 HB3 -0.04 -0.03 0.14 -0.04 3.20 3.22 2dx7B1 HIS 86 HD2 0.00 0.03 0.11 -0.04 6.97 7.08 2dx7B1 HIS 86 HE1 0.03 0.39 0.31 -0.04 7.75 8.43 2dx7B1 ALA 87 H -0.11 0.50 -0.56 -0.55 8.40 7.68 2dx7B1 ALA 87 HA -0.18 0.07 0.44 -0.75 4.34 3.92 2dx7B1 ALA 87 HB3 -0.61 0.00 0.10 -0.04 1.41 0.86 2dx7B1 PHE 88 H -0.05 0.41 -0.41 -0.55 8.34 7.75 2dx7B1 PHE 88 HA 0.03 0.22 0.91 -0.75 4.62 5.02 2dx7B1 PHE 88 HB2 -0.01 0.07 0.05 -0.04 3.15 3.22 2dx7B1 PHE 88 HB3 0.00 -0.05 0.14 -0.04 3.06 3.11 2dx7B1 PHE 88 HD2 0.04 0.07 -0.00 -0.04 7.28 7.34 2dx7B1 PHE 88 HE2 0.19 -0.02 -0.07 -0.04 7.38 7.44 2dx7B1 PHE 88 HZ 0.31 0.08 -0.05 -0.04 7.32 7.61 2dx7B1 VAL 89 H 0.04 0.45 -0.27 -0.55 8.24 7.91 2dx7B1 VAL 89 HA 0.04 0.07 0.37 -0.75 4.13 3.85 2dx7B1 VAL 89 HB 0.07 -0.04 0.16 -0.04 2.12 2.27 2dx7B1 VAL 89 HG13 0.06 0.04 0.01 -0.04 0.97 1.04 2dx7B1 VAL 89 HG23 0.07 -0.00 -0.03 -0.04 0.95 0.95 2dx7B1 GLU 90 H 0.05 0.16 -0.22 -0.55 8.60 8.05 2dx7B1 GLU 90 HA 0.04 0.13 0.45 -0.75 4.29 4.15 2dx7B1 GLU 90 HB2 0.04 -0.01 0.06 -0.04 2.09 2.14 2dx7B1 GLU 90 HB3 0.04 0.07 -0.06 -0.04 1.99 1.99 2dx7B1 GLU 90 HG2 0.03 -0.04 0.01 -0.04 2.34 2.31 2dx7B1 GLU 90 HG3 0.03 0.05 0.01 -0.04 2.34 2.39 2dx7B1 ASP 91 H 0.09 0.10 -0.26 -0.55 8.40 7.79 2dx7B1 ASP 91 HA 0.05 0.10 0.39 -0.75 4.63 4.41 2dx7B1 ASP 91 HB2 0.12 0.10 0.08 -0.04 2.71 2.96 2dx7B1 ASP 91 HB3 0.05 0.00 0.02 -0.04 2.70 2.73 2dx7B1 ILE 92 H 0.06 0.33 -0.28 -0.55 8.25 7.81 2dx7B1 ILE 92 HA 0.01 0.05 0.41 -0.75 4.18 3.89 2dx7B1 ILE 92 HB 0.02 0.08 0.06 -0.04 1.89 2.01 2dx7B1 ILE 92 HG12 0.01 -0.07 -0.14 -0.04 1.49 1.25 2dx7B1 ILE 92 HG13 0.06 0.26 0.02 -0.04 1.21 1.52 2dx7B1 ILE 92 HG23 -0.01 -0.00 -0.17 -0.04 0.93 0.71 2dx7B1 ILE 92 HD13 0.01 -0.03 -0.15 -0.04 0.88 0.67 2dx7B1 ARG 93 H 0.03 0.47 -0.07 -0.55 8.46 8.33 2dx7B1 ARG 93 HA 0.02 0.06 0.32 -0.75 4.34 3.99 2dx7B1 ARG 93 HB2 0.03 0.03 0.18 -0.04 1.90 2.10 2dx7B1 ARG 93 HB3 0.02 0.03 -0.01 -0.04 1.80 1.80 2dx7B1 ARG 93 HG2 0.03 -0.05 0.08 -0.04 1.67 1.69 2dx7B1 ARG 93 HG3 0.03 0.02 0.11 -0.04 1.67 1.79 2dx7B1 ARG 93 HD2 0.04 -0.07 -0.11 -0.04 3.22 3.03 2dx7B1 ARG 93 HD3 0.03 0.02 0.01 -0.04 3.22 3.24 2dx7B1 LYS 94 H 0.02 0.37 -0.33 -0.55 8.42 7.93 2dx7B1 LYS 94 HA 0.01 0.06 0.41 -0.75 4.32 4.05 2dx7B1 LYS 94 HB2 0.02 0.07 0.09 -0.04 1.87 2.01 2dx7B1 LYS 94 HB3 0.01 -0.05 0.01 -0.04 1.79 1.72 2dx7B1 LYS 94 HG2 0.02 -0.02 0.03 -0.04 1.46 1.44 2dx7B1 LYS 94 HG3 0.02 0.15 0.07 -0.04 1.46 1.66 2dx7B1 LYS 94 HD2 0.03 -0.06 -0.07 -0.04 1.69 1.55 2dx7B1 LYS 94 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 2dx7B1 LYS 94 HE2 0.02 -0.04 -0.04 -0.04 2.99 2.89 2dx7B1 LYS 94 HE3 0.02 0.01 -0.02 -0.04 2.99 2.96 2dx7B1 ALA 95 H 0.01 0.29 -0.39 -0.55 8.40 7.75 2dx7B1 ALA 95 HA -0.00 0.09 0.68 -0.75 4.34 4.36 2dx7B1 ALA 95 HB3 -0.00 -0.03 0.09 -0.04 1.41 1.43 2dx7B1 ILE 96 H -0.00 0.39 -0.27 -0.55 8.25 7.81 2dx7B1 ILE 96 HA -0.02 0.17 0.99 -0.75 4.18 4.56 2dx7B1 ILE 96 HB -0.02 -0.19 0.07 -0.04 1.89 1.71 2dx7B1 ILE 96 HG12 -0.00 0.13 -0.04 -0.04 1.49 1.54 2dx7B1 ILE 96 HG13 0.00 0.20 -0.28 -0.04 1.21 1.10 2dx7B1 ILE 96 HG23 -0.04 -0.02 -0.28 -0.04 0.93 0.56 2dx7B1 ILE 96 HD13 -0.00 -0.08 -0.21 -0.04 0.88 0.54 2dx7B1 LYS 97 H -0.01 0.03 0.14 -0.55 8.42 8.02 2dx7B1 LYS 97 HA 0.00 0.22 0.84 -0.75 4.32 4.63 2dx7B1 LYS 97 HB2 -0.01 -0.02 0.08 -0.04 1.87 1.88 2dx7B1 LYS 97 HB3 0.00 0.00 0.02 -0.04 1.79 1.77 2dx7B1 LYS 97 HG2 -0.00 0.03 -0.04 -0.04 1.46 1.40 2dx7B1 LYS 97 HG3 -0.01 -0.02 -0.14 -0.04 1.46 1.25 2dx7B1 LYS 97 HD2 -0.01 -0.00 -0.01 -0.04 1.69 1.62 2dx7B1 LYS 97 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.63 2dx7B1 LYS 97 HE2 -0.01 0.01 -0.04 -0.04 2.99 2.91 2dx7B1 LYS 97 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.90 2dx7B1 ILE 98 H 0.00 -0.07 0.05 -0.55 8.25 7.68 2dx7B1 ILE 98 HA 0.03 0.18 0.64 -0.75 4.18 4.28 2dx7B1 ILE 98 HB 0.05 0.24 -0.13 -0.04 1.89 2.01 2dx7B1 ILE 98 HG12 -0.01 -0.16 -0.01 -0.04 1.49 1.27 2dx7B1 ILE 98 HG13 0.02 -0.03 -0.31 -0.04 1.21 0.84 2dx7B1 ILE 98 HG23 0.01 0.04 0.01 -0.04 0.93 0.95 2dx7B1 ILE 98 HD13 -0.02 0.02 -0.34 -0.04 0.88 0.50 2dx7B1 PRO 99 HA 0.04 0.12 0.56 -0.51 4.44 4.65 2dx7B1 PRO 99 HB2 0.03 -0.04 -0.04 -0.04 2.28 2.19 2dx7B1 PRO 99 HB3 0.03 0.05 0.08 -0.04 2.02 2.14 2dx7B1 PRO 99 HG2 0.12 -0.07 0.12 -0.04 2.03 2.15 2dx7B1 PRO 99 HG3 0.04 0.05 0.09 -0.04 2.03 2.16 2dx7B1 PRO 99 HD2 0.09 0.42 0.37 -0.04 3.68 4.51 2dx7B1 PRO 99 HD3 0.04 0.15 0.24 -0.04 3.65 4.05 2dx7B1 ILE 100 H 0.05 0.22 0.14 -0.55 8.25 8.11 2dx7B1 ILE 100 HA 0.11 0.17 0.99 -0.75 4.18 4.69 2dx7B1 ILE 100 HB 0.05 -0.05 0.13 -0.04 1.89 1.98 2dx7B1 ILE 100 HG12 0.03 0.03 -0.19 -0.04 1.49 1.33 2dx7B1 ILE 100 HG13 0.03 0.11 -0.24 -0.04 1.21 1.07 2dx7B1 ILE 100 HG23 0.05 -0.03 -0.23 -0.04 0.93 0.68 2dx7B1 ILE 100 HD13 0.01 -0.00 -0.17 -0.04 0.88 0.68 2dx7B1 ILE 101 H 0.17 0.62 0.22 -0.55 8.25 8.71 2dx7B1 ILE 101 HA 0.04 0.09 0.73 -0.75 4.18 4.29 2dx7B1 ILE 101 HB 0.12 0.01 0.09 -0.04 1.89 2.07 2dx7B1 ILE 101 HG12 -0.07 0.02 -0.10 -0.04 1.49 1.30 2dx7B1 ILE 101 HG13 0.01 -0.00 -0.14 -0.04 1.21 1.03 2dx7B1 ILE 101 HG23 -0.01 -0.01 -0.17 -0.04 0.93 0.69 2dx7B1 ILE 101 HD13 -0.49 0.02 -0.11 -0.04 0.88 0.26 2dx7B1 SER 102 H 0.06 0.22 0.17 -0.55 8.46 8.37 2dx7B1 SER 102 HA 0.27 0.09 0.65 -0.75 4.49 4.75 2dx7B1 SER 102 HB2 0.16 0.16 0.12 -0.04 3.95 4.35 2dx7B1 SER 102 HB3 0.04 0.07 0.20 -0.04 3.93 4.19 2dx7B1 MET 103 H 0.00 0.22 0.26 -0.55 8.47 8.41 2dx7B1 MET 103 HA -0.03 0.15 0.42 -0.75 4.52 4.31 2dx7B1 MET 103 HB2 0.06 0.08 0.11 -0.04 2.15 2.36 2dx7B1 MET 103 HB3 -0.23 0.01 0.16 -0.04 2.03 1.93 2dx7B1 MET 103 HG2 -0.04 -0.05 -0.28 -0.04 2.63 2.22 2dx7B1 MET 103 HG3 0.02 0.14 -0.02 -0.04 2.56 2.65 2dx7B1 MET 103 HE3 0.08 0.01 -0.16 -0.04 2.10 1.99 2dx7B1 ILE 104 H -0.56 0.08 -0.06 -0.55 8.25 7.16 2dx7B1 ILE 104 HA -0.22 0.09 0.42 -0.75 4.18 3.72 2dx7B1 ILE 104 HB -0.24 0.04 0.03 -0.04 1.89 1.68 2dx7B1 ILE 104 HG12 -0.94 -0.07 0.12 -0.04 1.49 0.56 2dx7B1 ILE 104 HG13 -0.40 0.07 -0.01 -0.04 1.21 0.83 2dx7B1 ILE 104 HG23 -0.36 0.05 -0.13 -0.04 0.93 0.45 2dx7B1 ILE 104 HD13 -0.71 -0.02 -0.07 -0.04 0.88 0.04 2dx7B1 GLU 105 H -0.13 0.01 -0.25 -0.55 8.60 7.69 2dx7B1 GLU 105 HA -0.18 0.14 0.37 -0.75 4.29 3.87 2dx7B1 GLU 105 HB2 0.01 0.01 0.08 -0.04 2.09 2.15 2dx7B1 GLU 105 HB3 -0.03 -0.01 0.12 -0.04 1.99 2.03 2dx7B1 GLU 105 HG2 -0.04 0.04 -0.22 -0.04 2.34 2.09 2dx7B1 GLU 105 HG3 -0.06 0.02 -0.03 -0.04 2.34 2.23 2dx7B1 GLU 106 H -0.10 0.53 -0.17 -0.55 8.60 8.32 2dx7B1 GLU 106 HA -0.14 0.10 0.35 -0.75 4.29 3.84 2dx7B1 GLU 106 HB2 -0.05 -0.01 0.02 -0.04 2.09 2.01 2dx7B1 GLU 106 HB3 -0.05 0.01 -0.11 -0.04 1.99 1.79 2dx7B1 GLU 106 HG2 -0.04 0.09 -0.03 -0.04 2.34 2.33 2dx7B1 GLU 106 HG3 -0.02 -0.01 -0.11 -0.04 2.34 2.16 2dx7B1 THR 107 H -0.10 0.29 -0.48 -0.55 8.28 7.44 2dx7B1 THR 107 HA -0.05 0.05 0.41 -0.75 4.39 4.05 2dx7B1 THR 107 HB 0.15 0.10 0.07 -0.04 4.32 4.61 2dx7B1 THR 107 HG23 0.23 -0.02 -0.16 -0.04 1.22 1.23 2dx7B1 ALA 108 H -0.36 0.45 -0.17 -0.55 8.40 7.78 2dx7B1 ALA 108 HA -1.36 0.00 0.31 -0.75 4.34 2.54 2dx7B1 ALA 108 HB3 -0.70 0.03 0.00 -0.04 1.41 0.70 2dx7B1 LYS 109 H -0.59 0.53 -0.23 -0.55 8.42 7.58 2dx7B1 LYS 109 HA -0.39 0.07 0.38 -0.75 4.32 3.63 2dx7B1 LYS 109 HB2 -0.42 0.03 0.06 -0.04 1.87 1.50 2dx7B1 LYS 109 HB3 -0.23 0.07 0.09 -0.04 1.79 1.69 2dx7B1 LYS 109 HG2 -0.08 -0.00 -0.17 -0.04 1.46 1.17 2dx7B1 LYS 109 HG3 0.02 0.01 0.01 -0.04 1.46 1.45 2dx7B1 LYS 109 HD2 -0.07 -0.01 -0.05 -0.04 1.69 1.52 2dx7B1 LYS 109 HD3 -0.01 0.01 -0.05 -0.04 1.68 1.59 2dx7B1 LYS 109 HE2 0.08 0.02 -0.04 -0.04 2.99 3.00 2dx7B1 LYS 109 HE3 -0.08 -0.01 -0.09 -0.04 2.99 2.76 2dx7B1 LYS 110 H -0.20 0.42 -0.28 -0.55 8.42 7.80 2dx7B1 LYS 110 HA -0.10 0.04 0.36 -0.75 4.32 3.87 2dx7B1 LYS 110 HB2 -0.07 0.04 0.10 -0.04 1.87 1.90 2dx7B1 LYS 110 HB3 -0.07 0.04 0.14 -0.04 1.79 1.86 2dx7B1 LYS 110 HG2 -0.03 0.02 -0.28 -0.04 1.46 1.12 2dx7B1 LYS 110 HG3 -0.05 0.01 -0.03 -0.04 1.46 1.36 2dx7B1 LYS 110 HD2 -0.01 -0.02 -0.06 -0.04 1.69 1.56 2dx7B1 LYS 110 HD3 0.01 -0.07 -0.09 -0.04 1.68 1.49 2dx7B1 LYS 110 HE2 0.02 -0.09 -0.08 -0.04 2.99 2.81 2dx7B1 LYS 110 HE3 0.02 0.03 -0.11 -0.04 2.99 2.89 2dx7B1 VAL 111 H -0.17 0.59 -0.17 -0.55 8.24 7.94 2dx7B1 VAL 111 HA 0.01 -0.02 0.29 -0.75 4.13 3.66 2dx7B1 VAL 111 HB -0.25 0.13 0.04 -0.04 2.12 2.01 2dx7B1 VAL 111 HG13 0.21 0.01 -0.32 -0.04 0.97 0.84 2dx7B1 VAL 111 HG23 0.14 0.01 -0.10 -0.04 0.95 0.96 2dx7B1 LYS 112 H -0.16 0.51 -0.24 -0.55 8.42 7.98 2dx7B1 LYS 112 HA -0.02 0.20 0.42 -0.75 4.32 4.17 2dx7B1 LYS 112 HB2 0.03 0.06 0.12 -0.04 1.87 2.04 2dx7B1 LYS 112 HB3 -0.01 0.01 0.19 -0.04 1.79 1.94 2dx7B1 LYS 112 HG2 0.01 -0.06 -0.26 -0.04 1.46 1.11 2dx7B1 LYS 112 HG3 0.04 0.08 0.03 -0.04 1.46 1.56 2dx7B1 LYS 112 HD2 0.18 0.10 0.06 -0.04 1.69 1.98 2dx7B1 LYS 112 HD3 0.24 -0.08 0.01 -0.04 1.68 1.81 2dx7B1 LYS 112 HE2 0.01 -0.06 -0.02 -0.04 2.99 2.89 2dx7B1 LYS 112 HE3 0.03 -0.04 -0.05 -0.04 2.99 2.89 2dx7B1 GLU 113 H -0.09 0.61 -0.05 -0.55 8.60 8.51 2dx7B1 GLU 113 HA -0.07 0.03 0.43 -0.75 4.29 3.93 2dx7B1 GLU 113 HB2 -0.09 0.04 0.08 -0.04 2.09 2.08 2dx7B1 GLU 113 HB3 -0.07 -0.07 0.08 -0.04 1.99 1.90 2dx7B1 GLU 113 HG2 -0.03 -0.06 0.04 -0.04 2.34 2.25 2dx7B1 GLU 113 HG3 -0.06 0.41 0.08 -0.04 2.34 2.73 2dx7B1 LEU 114 H -0.23 0.40 -0.42 -0.55 8.37 7.58 2dx7B1 LEU 114 HA -0.28 0.02 0.49 -0.75 4.35 3.83 2dx7B1 LEU 114 HB2 -0.69 0.11 0.10 -0.04 1.64 1.12 2dx7B1 LEU 114 HB3 -1.07 -0.06 0.11 -0.04 1.64 0.59 2dx7B1 LEU 114 HG -0.17 0.14 -0.01 -0.04 1.64 1.57 2dx7B1 LEU 114 HD13 -0.01 -0.04 -0.08 -0.04 0.93 0.75 2dx7B1 LEU 114 HD23 -0.13 -0.01 0.00 -0.04 0.89 0.71 2dx7B1 GLY 115 H -0.21 0.47 -0.63 -0.55 8.43 7.51 2dx7B1 GLY 115 HA2 -0.07 0.05 0.30 -0.51 4.01 3.78 2dx7B1 GLY 115 HA3 -0.12 0.02 0.55 -0.51 4.01 3.96 2dx7B1 PHE 116 H -0.27 0.30 -0.11 -0.55 8.34 7.71 2dx7B1 PHE 116 HA 0.02 0.09 0.66 -0.75 4.62 4.63 2dx7B1 PHE 116 HB2 0.02 0.02 -0.08 -0.04 3.15 3.07 2dx7B1 PHE 116 HB3 0.03 -0.13 0.00 -0.04 3.06 2.93 2dx7B1 PHE 116 HD2 0.02 -0.05 -0.15 -0.04 7.28 7.05 2dx7B1 PHE 116 HE2 0.01 -0.07 0.01 -0.04 7.38 7.28 2dx7B1 PHE 116 HZ 0.01 -0.06 0.07 -0.04 7.32 7.29 2dx7B1 LYS 117 H 0.17 0.04 0.23 -0.55 8.42 8.30 2dx7B1 LYS 117 HA 0.11 0.33 0.95 -0.75 4.32 4.95 2dx7B1 LYS 117 HB2 0.07 -0.05 0.07 -0.04 1.87 1.92 2dx7B1 LYS 117 HB3 0.07 0.02 0.19 -0.04 1.79 2.03 2dx7B1 LYS 117 HG2 0.09 0.05 -0.20 -0.04 1.46 1.36 2dx7B1 LYS 117 HG3 0.06 -0.06 -0.00 -0.04 1.46 1.41 2dx7B1 LYS 117 HD2 0.07 0.19 -0.03 -0.04 1.69 1.88 2dx7B1 LYS 117 HD3 0.05 0.02 -0.16 -0.04 1.68 1.54 2dx7B1 LYS 117 HE2 0.03 0.00 0.04 -0.04 2.99 3.03 2dx7B1 LYS 117 HE3 0.03 -0.10 0.02 -0.04 2.99 2.91 2dx7B1 LYS 118 H 0.10 0.10 0.16 -0.55 8.42 8.22 2dx7B1 LYS 118 HA 0.08 0.29 0.89 -0.75 4.32 4.83 2dx7B1 LYS 118 HB2 0.01 0.05 0.11 -0.04 1.87 2.00 2dx7B1 LYS 118 HB3 0.02 0.01 -0.07 -0.04 1.79 1.71 2dx7B1 LYS 118 HG2 0.04 0.09 -0.04 -0.04 1.46 1.51 2dx7B1 LYS 118 HG3 0.04 -0.09 -0.35 -0.04 1.46 1.01 2dx7B1 LYS 118 HD2 0.01 0.08 -0.04 -0.04 1.69 1.70 2dx7B1 LYS 118 HD3 0.02 -0.01 -0.06 -0.04 1.68 1.58 2dx7B1 LYS 118 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.94 2dx7B1 LYS 118 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.94 2dx7B1 ALA 119 H 0.09 0.74 0.21 -0.55 8.40 8.89 2dx7B1 ALA 119 HA 0.02 0.13 1.00 -0.75 4.34 4.74 2dx7B1 ALA 119 HB3 0.21 -0.00 -0.19 -0.04 1.41 1.38 2dx7B1 GLY 120 H -0.03 0.62 0.32 -0.55 8.43 8.80 2dx7B1 GLY 120 HA2 -0.05 0.23 0.84 -0.51 4.01 4.52 2dx7B1 GLY 120 HA3 -0.05 0.02 0.36 -0.51 4.01 3.83 2dx7B1 LEU 121 H -0.10 0.80 0.40 -0.55 8.37 8.93 2dx7B1 LEU 121 HA -0.18 0.15 1.10 -0.75 4.35 4.68 2dx7B1 LEU 121 HB2 -0.30 0.02 -0.08 -0.04 1.64 1.24 2dx7B1 LEU 121 HB3 -0.18 0.06 0.09 -0.04 1.64 1.56 2dx7B1 LEU 121 HG -0.26 -0.08 -0.39 -0.04 1.64 0.86 2dx7B1 LEU 121 HD13 -0.71 0.01 -0.09 -0.04 0.93 0.09 2dx7B1 LEU 121 HD23 -0.31 -0.01 -0.13 -0.04 0.89 0.39 2dx7B1 LEU 122 H -0.14 0.63 0.30 -0.55 8.37 8.62 2dx7B1 LEU 122 HA -0.07 0.15 0.84 -0.75 4.35 4.52 2dx7B1 LEU 122 HB2 -0.06 0.02 0.23 -0.04 1.64 1.79 2dx7B1 LEU 122 HB3 -0.04 -0.06 0.05 -0.04 1.64 1.54 2dx7B1 LEU 122 HG -0.05 0.03 -0.22 -0.04 1.64 1.36 2dx7B1 LEU 122 HD13 -0.03 -0.00 -0.07 -0.04 0.93 0.79 2dx7B1 LEU 122 HD23 -0.04 0.02 -0.11 -0.04 0.89 0.73 2dx7B1 ALA 123 H -0.07 0.40 0.11 -0.55 8.40 8.29 2dx7B1 ALA 123 HA -0.05 0.04 0.39 -0.75 4.34 3.96 2dx7B1 ALA 123 HB3 -0.14 0.00 -0.10 -0.04 1.41 1.13 2dx7B1 THR 124 H 0.02 0.10 0.11 -0.55 8.28 7.96 2dx7B1 THR 124 HA 0.07 0.18 0.47 -0.75 4.39 4.36 2dx7B1 THR 124 HB 0.11 -0.00 0.17 -0.04 4.32 4.56 2dx7B1 THR 124 HG23 0.13 0.04 0.08 -0.04 1.22 1.43 2dx7B1 THR 125 H 0.04 0.20 0.20 -0.55 8.28 8.17 2dx7B1 THR 125 HA 0.01 0.17 0.42 -0.75 4.39 4.23 2dx7B1 THR 125 HB 0.00 -0.03 0.11 -0.04 4.32 4.37 2dx7B1 THR 125 HG23 -0.00 0.04 -0.04 -0.04 1.22 1.17 2dx7B1 GLY 126 H 0.04 0.03 -0.15 -0.55 8.43 7.81 2dx7B1 GLY 126 HA2 0.03 0.20 0.36 -0.51 4.01 4.09 2dx7B1 GLY 126 HA3 0.05 0.02 0.25 -0.51 4.01 3.81 2dx7B1 THR 127 H 0.06 0.02 -0.25 -0.55 8.28 7.56 2dx7B1 THR 127 HA 0.09 0.01 0.39 -0.75 4.39 4.12 2dx7B1 THR 127 HB 0.04 0.09 0.09 -0.04 4.32 4.51 2dx7B1 THR 127 HG23 0.17 0.02 -0.12 -0.04 1.22 1.25 2dx7B1 ILE 128 H 0.02 0.42 -0.27 -0.55 8.25 7.87 2dx7B1 ILE 128 HA 0.00 -0.03 0.35 -0.75 4.18 3.75 2dx7B1 ILE 128 HB -0.01 0.07 0.13 -0.04 1.89 2.04 2dx7B1 ILE 128 HG12 -0.07 -0.03 -0.07 -0.04 1.49 1.28 2dx7B1 ILE 128 HG13 -0.04 0.04 -0.10 -0.04 1.21 1.07 2dx7B1 ILE 128 HG23 -0.02 0.02 -0.16 -0.04 0.93 0.73 2dx7B1 ILE 128 HD13 -0.04 -0.00 -0.06 -0.04 0.88 0.74 2dx7B1 VAL 129 H 0.01 0.57 -0.03 -0.55 8.24 8.24 2dx7B1 VAL 129 HA 0.01 0.08 0.38 -0.75 4.13 3.83 2dx7B1 VAL 129 HB 0.01 -0.01 0.07 -0.04 2.12 2.16 2dx7B1 VAL 129 HG13 0.00 0.01 -0.03 -0.04 0.97 0.92 2dx7B1 VAL 129 HG23 0.00 0.04 0.06 -0.04 0.95 1.01 2dx7B1 SER 130 H 0.03 0.26 -0.45 -0.55 8.46 7.75 2dx7B1 SER 130 HA 0.01 0.14 0.43 -0.75 4.49 4.30 2dx7B1 SER 130 HB2 0.01 0.01 0.11 -0.04 3.95 4.03 2dx7B1 SER 130 HB3 0.04 0.03 0.13 -0.04 3.93 4.09 2dx7B1 GLY 131 H 0.03 0.41 -0.37 -0.55 8.43 7.94 2dx7B1 GLY 131 HA2 0.02 0.02 0.34 -0.51 4.01 3.88 2dx7B1 GLY 131 HA3 0.01 0.18 0.39 -0.51 4.01 4.08 2dx7B1 VAL 132 H 0.04 0.12 -0.33 -0.55 8.24 7.52 2dx7B1 VAL 132 HA -0.02 0.17 0.29 -0.75 4.13 3.81 2dx7B1 VAL 132 HB -0.11 -0.00 -0.11 -0.04 2.12 1.86 2dx7B1 VAL 132 HG13 -0.03 0.03 -0.08 -0.04 0.97 0.85 2dx7B1 VAL 132 HG23 0.07 -0.02 -0.10 -0.04 0.95 0.86 2dx7B1 TYR 133 H 0.18 0.09 -0.21 -0.55 8.29 7.80 2dx7B1 TYR 133 HA -0.03 0.09 0.44 -0.75 4.56 4.30 2dx7B1 TYR 133 HB2 -0.17 -0.02 -0.01 -0.04 3.06 2.82 2dx7B1 TYR 133 HB3 -0.49 0.10 -0.12 -0.04 2.98 2.42 2dx7B1 TYR 133 HD2 -0.29 0.03 -0.08 -0.04 7.15 6.77 2dx7B1 TYR 133 HE2 0.01 -0.02 -0.05 -0.04 6.85 6.74 2dx7B1 GLU 134 H 0.05 0.02 -0.24 -0.55 8.60 7.89 2dx7B1 GLU 134 HA 0.03 0.06 0.36 -0.75 4.29 3.98 2dx7B1 GLU 134 HB2 0.03 0.06 0.17 -0.04 2.09 2.31 2dx7B1 GLU 134 HB3 0.03 0.08 0.01 -0.04 1.99 2.07 2dx7B1 GLU 134 HG2 0.01 0.08 0.03 -0.04 2.34 2.41 2dx7B1 GLU 134 HG3 -0.00 -0.00 0.02 -0.04 2.34 2.32 2dx7B1 LYS 135 H 0.04 0.58 -0.05 -0.55 8.42 8.43 2dx7B1 LYS 135 HA 0.05 0.05 0.36 -0.75 4.32 4.04 2dx7B1 LYS 135 HB2 0.02 0.05 0.12 -0.04 1.87 2.01 2dx7B1 LYS 135 HB3 0.02 0.00 0.10 -0.04 1.79 1.88 2dx7B1 LYS 135 HG2 0.04 -0.01 -0.23 -0.04 1.46 1.22 2dx7B1 LYS 135 HG3 0.02 0.00 0.02 -0.04 1.46 1.47 2dx7B1 LYS 135 HD2 -0.00 0.03 0.01 -0.04 1.69 1.68 2dx7B1 LYS 135 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.59 2dx7B1 LYS 135 HE2 0.02 -0.01 -0.05 -0.04 2.99 2.92 2dx7B1 LYS 135 HE3 0.01 0.02 -0.00 -0.04 2.99 2.97 2dx7B1 GLU 136 H 0.08 0.34 -0.18 -0.55 8.60 8.30 2dx7B1 GLU 136 HA 0.13 0.09 0.50 -0.75 4.29 4.26 2dx7B1 GLU 136 HB2 0.04 0.01 0.07 -0.04 2.09 2.16 2dx7B1 GLU 136 HB3 0.14 0.02 -0.00 -0.04 1.99 2.11 2dx7B1 GLU 136 HG2 -0.01 -0.21 -0.35 -0.04 2.34 1.73 2dx7B1 GLU 136 HG3 0.07 0.07 -0.18 -0.04 2.34 2.27 2dx7B1 PHE 137 H 0.40 0.57 -0.10 -0.55 8.34 8.66 2dx7B1 PHE 137 HA 0.09 -0.00 0.43 -0.75 4.62 4.39 2dx7B1 PHE 137 HB2 0.08 0.15 0.11 -0.04 3.15 3.45 2dx7B1 PHE 137 HB3 0.08 0.19 -0.11 -0.04 3.06 3.18 2dx7B1 PHE 137 HD2 0.05 0.00 -0.16 -0.04 7.28 7.14 2dx7B1 PHE 137 HE2 0.07 -0.02 -0.14 -0.04 7.38 7.24 2dx7B1 PHE 137 HZ 0.12 -0.06 -0.23 -0.04 7.32 7.12 2dx7B1 SER 138 H 0.20 0.47 -0.18 -0.55 8.46 8.40 2dx7B1 SER 138 HA 0.12 0.08 0.37 -0.75 4.49 4.31 2dx7B1 SER 138 HB2 0.08 0.15 0.15 -0.04 3.95 4.29 2dx7B1 SER 138 HB3 0.06 -0.05 -0.01 -0.04 3.93 3.89 2dx7B1 LYS 139 H 0.13 0.29 -0.30 -0.55 8.42 7.98 2dx7B1 LYS 139 HA -0.03 0.02 0.39 -0.75 4.32 3.95 2dx7B1 LYS 139 HB2 0.13 0.18 0.10 -0.04 1.87 2.23 2dx7B1 LYS 139 HB3 -0.13 -0.04 0.06 -0.04 1.79 1.63 2dx7B1 LYS 139 HG2 0.00 -0.04 0.06 -0.04 1.46 1.44 2dx7B1 LYS 139 HG3 0.06 0.25 0.15 -0.04 1.46 1.88 2dx7B1 LYS 139 HD2 0.09 -0.05 0.04 -0.04 1.69 1.72 2dx7B1 LYS 139 HD3 0.01 -0.01 0.02 -0.04 1.68 1.65 2dx7B1 LYS 139 HE2 0.02 0.00 -0.00 -0.04 2.99 2.96 2dx7B1 LYS 139 HE3 0.04 0.01 -0.07 -0.04 2.99 2.93 2dx7B1 TYR 140 H 0.23 0.29 -0.57 -0.55 8.29 7.69 2dx7B1 TYR 140 HA -0.03 0.15 0.78 -0.75 4.56 4.70 2dx7B1 TYR 140 HB2 -0.13 0.02 0.04 -0.04 3.06 2.96 2dx7B1 TYR 140 HB3 -0.09 0.02 0.10 -0.04 2.98 2.96 2dx7B1 TYR 140 HD2 -0.07 0.16 -0.03 -0.04 7.15 7.18 2dx7B1 TYR 140 HE2 -0.05 -0.04 -0.03 -0.04 6.85 6.69 2dx7B1 GLY 141 H 0.05 0.53 -0.38 -0.55 8.43 8.08 2dx7B1 GLY 141 HA2 0.05 -0.01 0.30 -0.51 4.01 3.84 2dx7B1 GLY 141 HA3 0.04 0.02 0.40 -0.51 4.01 3.96 2dx7B1 VAL 142 H 0.14 0.52 -0.17 -0.55 8.24 8.17 2dx7B1 VAL 142 HA 0.12 0.28 0.89 -0.75 4.13 4.68 2dx7B1 VAL 142 HB 0.19 -0.12 -0.07 -0.04 2.12 2.08 2dx7B1 VAL 142 HG13 0.30 -0.05 -0.49 -0.04 0.97 0.68 2dx7B1 VAL 142 HG23 0.02 0.08 -0.27 -0.04 0.95 0.75 2dx7B1 GLU 143 H 0.11 0.83 0.21 -0.55 8.60 9.21 2dx7B1 GLU 143 HA 0.09 0.03 0.63 -0.75 4.29 4.29 2dx7B1 GLU 143 HB2 0.06 0.06 0.10 -0.04 2.09 2.26 2dx7B1 GLU 143 HB3 0.06 -0.01 0.23 -0.04 1.99 2.23 2dx7B1 GLU 143 HG2 0.03 0.03 -0.20 -0.04 2.34 2.16 2dx7B1 GLU 143 HG3 0.04 -0.04 0.03 -0.04 2.34 2.33 2dx7B1 ILE 144 H 0.05 0.13 0.16 -0.55 8.25 8.05 2dx7B1 ILE 144 HA -0.02 0.21 0.68 -0.75 4.18 4.30 2dx7B1 ILE 144 HB -0.02 -0.02 0.07 -0.04 1.89 1.87 2dx7B1 ILE 144 HG12 -0.02 0.13 -0.17 -0.04 1.49 1.39 2dx7B1 ILE 144 HG13 -0.17 -0.14 -0.35 -0.04 1.21 0.50 2dx7B1 ILE 144 HG23 -0.11 -0.04 -0.25 -0.04 0.93 0.49 2dx7B1 ILE 144 HD13 -0.72 0.00 -0.18 -0.04 0.88 -0.06 2dx7B1 MET 145 H -0.05 0.58 0.38 -0.55 8.47 8.83 2dx7B1 MET 145 HA -0.02 0.14 0.85 -0.75 4.52 4.73 2dx7B1 MET 145 HB2 -0.01 0.07 -0.21 -0.04 2.15 1.96 2dx7B1 MET 145 HB3 -0.03 -0.09 0.01 -0.04 2.03 1.88 2dx7B1 MET 145 HG2 -0.02 -0.05 -0.19 -0.04 2.63 2.33 2dx7B1 MET 145 HG3 -0.01 0.03 -0.02 -0.04 2.56 2.52 2dx7B1 MET 145 HE3 -0.01 -0.00 -0.35 -0.04 2.10 1.69 2dx7B1 THR 146 H -0.03 0.24 0.17 -0.55 8.28 8.11 2dx7B1 THR 146 HA -0.05 0.23 1.07 -0.75 4.39 4.88 2dx7B1 THR 146 HB -0.04 0.02 0.13 -0.04 4.32 4.39 2dx7B1 THR 146 HG23 -0.07 -0.02 -0.15 -0.04 1.22 0.93 2dx7B1 PRO 147 HA -0.02 0.11 0.47 -0.51 4.44 4.49 2dx7B1 PRO 147 HB2 -0.02 0.00 -0.08 -0.04 2.28 2.14 2dx7B1 PRO 147 HB3 -0.02 -0.02 0.05 -0.04 2.02 1.99 2dx7B1 PRO 147 HG2 -0.03 -0.03 0.04 -0.04 2.03 1.98 2dx7B1 PRO 147 HG3 -0.03 0.11 0.01 -0.04 2.03 2.08 2dx7B1 PRO 147 HD2 -0.03 0.02 0.21 -0.04 3.68 3.84 2dx7B1 PRO 147 HD3 -0.05 0.32 0.32 -0.04 3.65 4.20 2dx7B1 THR 148 H -0.01 0.06 0.18 -0.55 8.28 7.96 2dx7B1 THR 148 HA -0.01 0.23 0.49 -0.75 4.39 4.34 2dx7B1 THR 148 HB -0.01 -0.01 0.19 -0.04 4.32 4.45 2dx7B1 THR 148 HG23 -0.01 0.06 0.09 -0.04 1.22 1.32 2dx7B1 GLU 149 H -0.01 0.23 0.17 -0.55 8.60 8.45 2dx7B1 GLU 149 HA -0.01 0.12 0.38 -0.75 4.29 4.03 2dx7B1 GLU 149 HB2 -0.01 -0.02 0.15 -0.04 2.09 2.18 2dx7B1 GLU 149 HB3 -0.01 0.04 0.01 -0.04 1.99 2.00 2dx7B1 GLU 149 HG2 -0.01 0.02 0.06 -0.04 2.34 2.37 2dx7B1 GLU 149 HG3 -0.01 0.01 0.11 -0.04 2.34 2.41 2dx7B1 ASP 150 H -0.01 0.12 -0.09 -0.55 8.40 7.89 2dx7B1 ASP 150 HA -0.00 0.14 0.50 -0.75 4.63 4.51 2dx7B1 ASP 150 HB2 -0.01 -0.02 0.07 -0.04 2.71 2.72 2dx7B1 ASP 150 HB3 -0.00 0.07 0.01 -0.04 2.70 2.73 2dx7B1 GLU 151 H -0.01 0.07 -0.27 -0.55 8.60 7.84 2dx7B1 GLU 151 HA -0.00 0.14 0.49 -0.75 4.29 4.17 2dx7B1 GLU 151 HB2 -0.01 -0.05 0.14 -0.04 2.09 2.12 2dx7B1 GLU 151 HB3 -0.01 0.07 0.08 -0.04 1.99 2.09 2dx7B1 GLU 151 HG2 -0.01 0.10 0.03 -0.04 2.34 2.42 2dx7B1 GLU 151 HG3 -0.01 -0.09 0.03 -0.04 2.34 2.24 2dx7B1 GLN 152 H -0.01 0.58 -0.29 -0.55 8.47 8.20 2dx7B1 GLN 152 HA -0.01 0.01 0.41 -0.75 4.36 4.02 2dx7B1 GLN 152 HB2 -0.01 0.15 -0.02 -0.04 2.15 2.23 2dx7B1 GLN 152 HB3 -0.01 0.19 0.12 -0.04 2.02 2.27 2dx7B1 GLN 152 HG2 -0.01 0.02 -0.00 -0.04 2.40 2.36 2dx7B1 GLN 152 HG3 0.00 -0.10 -0.08 -0.04 2.39 2.17 2dx7B1 GLN 152 HE21 0.00 0.53 0.08 -0.04 6.97 7.54 2dx7B1 GLN 152 HE22 0.01 -0.23 0.02 -0.04 7.69 7.46 2dx7B1 LYS 153 H -0.00 0.31 -0.56 -0.55 8.42 7.61 2dx7B1 LYS 153 HA 0.00 -0.03 0.43 -0.75 4.32 3.97 2dx7B1 LYS 153 HB2 -0.00 0.30 0.14 -0.04 1.87 2.27 2dx7B1 LYS 153 HB3 -0.00 -0.04 0.06 -0.04 1.79 1.76 2dx7B1 LYS 153 HG2 -0.01 -0.07 0.05 -0.04 1.46 1.38 2dx7B1 LYS 153 HG3 -0.01 0.29 0.16 -0.04 1.46 1.87 2dx7B1 LYS 153 HD2 -0.00 -0.00 0.07 -0.04 1.69 1.71 2dx7B1 LYS 153 HD3 -0.01 -0.01 0.02 -0.04 1.68 1.65 2dx7B1 LYS 153 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.90 2dx7B1 LYS 153 HE3 -0.01 -0.03 -0.13 -0.04 2.99 2.78 2dx7B1 ASP 154 H 0.00 0.38 -0.40 -0.55 8.40 7.83 2dx7B1 ASP 154 HA 0.01 0.03 0.39 -0.75 4.63 4.31 2dx7B1 ASP 154 HB2 -0.00 0.25 0.19 -0.04 2.71 3.11 2dx7B1 ASP 154 HB3 0.00 -0.02 0.04 -0.04 2.70 2.68 2dx7B1 VAL 155 H 0.01 0.32 -0.18 -0.55 8.24 7.83 2dx7B1 VAL 155 HA 0.01 0.06 0.33 -0.75 4.13 3.78 2dx7B1 VAL 155 HB 0.01 0.14 0.22 -0.04 2.12 2.45 2dx7B1 VAL 155 HG13 0.00 -0.02 -0.12 -0.04 0.97 0.79 2dx7B1 VAL 155 HG23 -0.01 0.06 0.07 -0.04 0.95 1.02 2dx7B1 MET 156 H 0.04 0.68 0.01 -0.55 8.47 8.65 2dx7B1 MET 156 HA 0.18 -0.08 0.41 -0.75 4.52 4.28 2dx7B1 MET 156 HB2 0.02 0.16 0.17 -0.04 2.15 2.46 2dx7B1 MET 156 HB3 0.01 -0.03 0.04 -0.04 2.03 2.01 2dx7B1 MET 156 HG2 0.03 0.21 0.13 -0.04 2.63 2.96 2dx7B1 MET 156 HG3 -0.00 0.03 0.07 -0.04 2.56 2.61 2dx7B1 MET 156 HE3 -0.08 0.04 0.07 -0.04 2.10 2.10 2dx7B1 ARG 157 H 0.04 0.64 -0.24 -0.55 8.46 8.35 2dx7B1 ARG 157 HA 0.07 -0.07 0.45 -0.75 4.34 4.04 2dx7B1 ARG 157 HB2 0.02 0.07 0.13 -0.04 1.90 2.09 2dx7B1 ARG 157 HB3 0.03 0.14 0.12 -0.04 1.80 2.04 2dx7B1 ARG 157 HG2 0.03 -0.05 -0.15 -0.04 1.67 1.46 2dx7B1 ARG 157 HG3 0.03 -0.05 0.05 -0.04 1.67 1.66 2dx7B1 ARG 157 HD2 0.01 0.01 -0.02 -0.04 3.22 3.18 2dx7B1 ARG 157 HD3 0.01 0.03 -0.04 -0.04 3.22 3.18 2dx7B1 GLY 158 H 0.04 0.55 -0.32 -0.55 8.43 8.16 2dx7B1 GLY 158 HA2 0.02 0.01 0.36 -0.51 4.01 3.89 2dx7B1 GLY 158 HA3 0.01 0.11 0.32 -0.51 4.01 3.95 2dx7B1 ILE 159 H 0.06 0.55 -0.14 -0.55 8.25 8.17 2dx7B1 ILE 159 HA -0.07 0.02 0.47 -0.75 4.18 3.84 2dx7B1 ILE 159 HB 0.07 0.08 0.14 -0.04 1.89 2.14 2dx7B1 ILE 159 HG12 -0.05 -0.09 -0.09 -0.04 1.49 1.23 2dx7B1 ILE 159 HG13 0.01 0.29 -0.03 -0.04 1.21 1.43 2dx7B1 ILE 159 HG23 -0.43 -0.04 -0.13 -0.04 0.93 0.29 2dx7B1 ILE 159 HD13 0.02 -0.04 -0.20 -0.04 0.88 0.62 2dx7B1 TYR 160 H 0.26 0.63 0.00 -0.55 8.29 8.63 2dx7B1 TYR 160 HA 0.01 0.10 0.76 -0.75 4.56 4.67 2dx7B1 TYR 160 HB2 0.00 0.04 0.17 -0.04 3.06 3.23 2dx7B1 TYR 160 HB3 0.01 0.05 -0.03 -0.04 2.98 2.97 2dx7B1 TYR 160 HD2 0.01 0.22 0.08 -0.04 7.15 7.42 2dx7B1 TYR 160 HE2 0.01 -0.05 0.02 -0.04 6.85 6.79 2dx7B1 GLU 161 H 0.14 0.17 0.15 -0.55 8.60 8.51 2dx7B1 GLU 161 HA 0.06 0.06 0.40 -0.75 4.29 4.06 2dx7B1 GLU 161 HB2 0.05 0.15 0.18 -0.04 2.09 2.42 2dx7B1 GLU 161 HB3 0.03 -0.00 0.03 -0.04 1.99 2.01 2dx7B1 GLU 161 HG2 0.04 0.03 0.06 -0.04 2.34 2.42 2dx7B1 GLU 161 HG3 0.05 -0.08 0.08 -0.04 2.34 2.36 2dx7B1 GLY 162 H 0.04 0.21 -0.55 -0.55 8.43 7.58 2dx7B1 GLY 162 HA2 0.01 0.10 0.61 -0.51 4.01 4.22 2dx7B1 GLY 162 HA3 0.01 0.04 0.32 -0.51 4.01 3.87 2dx7B1 VAL 163 H -0.02 0.65 0.15 -0.55 8.24 8.46 2dx7B1 VAL 163 HA -0.02 0.02 0.24 -0.75 4.13 3.61 2dx7B1 VAL 163 HB -0.07 0.03 0.20 -0.04 2.12 2.24 2dx7B1 VAL 163 HG13 -0.04 0.01 -0.09 -0.04 0.97 0.81 2dx7B1 VAL 163 HG23 -0.02 0.05 -0.01 -0.04 0.95 0.93 2dx7B1 LYS 164 H -0.08 0.70 0.09 -0.55 8.42 8.57 2dx7B1 LYS 164 HA -0.05 0.01 0.46 -0.75 4.32 3.99 2dx7B1 LYS 164 HB2 -0.22 -0.01 0.19 -0.04 1.87 1.79 2dx7B1 LYS 164 HB3 -0.07 0.09 0.19 -0.04 1.79 1.96 2dx7B1 LYS 164 HG2 -0.01 0.06 -0.01 -0.04 1.46 1.46 2dx7B1 LYS 164 HG3 -0.06 -0.04 0.10 -0.04 1.46 1.42 2dx7B1 LYS 164 HD2 -0.30 -0.09 -0.00 -0.04 1.69 1.26 2dx7B1 LYS 164 HD3 -0.03 -0.01 -0.01 -0.04 1.68 1.59 2dx7B1 LYS 164 HE2 0.05 0.06 0.00 -0.04 2.99 3.06 2dx7B1 LYS 164 HE3 -0.02 -0.02 0.02 -0.04 2.99 2.93 2dx7B1 ALA 165 H 0.00 0.20 -0.63 -0.55 8.40 7.42 2dx7B1 ALA 165 HA 0.02 0.09 0.66 -0.75 4.34 4.35 2dx7B1 ALA 165 HB3 0.03 0.06 0.06 -0.04 1.41 1.52 2dx7B1 GLY 166 H -0.00 0.34 -0.40 -0.55 8.43 7.83 2dx7B1 GLY 166 HA2 -0.00 0.02 0.32 -0.51 4.01 3.83 2dx7B1 GLY 166 HA3 0.00 0.15 0.71 -0.51 4.01 4.36 2dx7B1 ASN 167 H 0.00 0.35 -0.22 -0.55 8.53 8.11 2dx7B1 ASN 167 HA 0.00 0.08 0.59 -0.75 4.76 4.68 2dx7B1 ASN 167 HB2 0.01 0.12 0.13 -0.04 2.88 3.10 2dx7B1 ASN 167 HB3 0.01 0.09 0.35 -0.04 2.79 3.20 2dx7B1 ASN 167 HD21 0.01 -0.01 0.03 -0.04 7.03 7.01 2dx7B1 ASN 167 HD22 0.01 0.13 0.05 -0.04 7.74 7.88 2dx7B1 LEU 168 H -0.00 0.56 0.04 -0.55 8.37 8.42 2dx7B1 LEU 168 HA -0.00 -0.00 0.21 -0.75 4.35 3.80 2dx7B1 LEU 168 HB2 -0.00 0.02 0.05 -0.04 1.64 1.67 2dx7B1 LEU 168 HB3 -0.00 0.02 0.03 -0.04 1.64 1.64 2dx7B1 LEU 168 HG -0.00 0.20 0.06 -0.04 1.64 1.86 2dx7B1 LEU 168 HD13 -0.00 0.02 0.01 -0.04 0.93 0.91 2dx7B1 LEU 168 HD23 -0.01 -0.02 -0.10 -0.04 0.89 0.72 2dx7B1 LYS 169 H 0.00 0.12 -0.28 -0.55 8.42 7.70 2dx7B1 LYS 169 HA -0.00 0.12 0.42 -0.75 4.32 4.10 2dx7B1 LYS 169 HB2 0.00 0.04 0.08 -0.04 1.87 1.95 2dx7B1 LYS 169 HB3 0.00 -0.04 0.06 -0.04 1.79 1.77 2dx7B1 LYS 169 HG2 0.00 -0.01 -0.19 -0.04 1.46 1.22 2dx7B1 LYS 169 HG3 -0.00 0.03 0.02 -0.04 1.46 1.47 2dx7B1 LYS 169 HD2 0.00 0.02 -0.00 -0.04 1.69 1.67 2dx7B1 LYS 169 HD3 0.00 -0.00 -0.03 -0.04 1.68 1.60 2dx7B1 LYS 169 HE2 0.00 0.02 -0.01 -0.04 2.99 2.95 2dx7B1 LYS 169 HE3 0.00 0.02 -0.01 -0.04 2.99 2.96 2dx7B1 LEU 170 H 0.00 0.15 -0.14 -0.55 8.37 7.84 2dx7B1 LEU 170 HA 0.00 0.06 0.38 -0.75 4.35 4.04 2dx7B1 LEU 170 HB2 0.01 0.00 0.07 -0.04 1.64 1.68 2dx7B1 LEU 170 HB3 0.01 0.13 0.11 -0.04 1.64 1.84 2dx7B1 LEU 170 HG 0.01 -0.04 -0.32 -0.04 1.64 1.26 2dx7B1 LEU 170 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 2dx7B1 LEU 170 HD23 0.02 0.02 -0.18 -0.04 0.89 0.70 2dx7B1 GLY 171 H 0.00 0.52 -0.13 -0.55 8.43 8.27 2dx7B1 GLY 171 HA2 0.00 -0.03 0.44 -0.51 4.01 3.91 2dx7B1 GLY 171 HA3 -0.00 0.04 0.27 -0.51 4.01 3.81 2dx7B1 ARG 172 H -0.00 0.66 -0.14 -0.55 8.46 8.42 2dx7B1 ARG 172 HA -0.01 -0.02 0.38 -0.75 4.34 3.94 2dx7B1 ARG 172 HB2 -0.00 0.04 0.17 -0.04 1.90 2.07 2dx7B1 ARG 172 HB3 -0.00 0.07 0.19 -0.04 1.80 2.01 2dx7B1 ARG 172 HG2 -0.00 -0.05 -0.19 -0.04 1.67 1.38 2dx7B1 ARG 172 HG3 -0.00 0.08 0.07 -0.04 1.67 1.77 2dx7B1 ARG 172 HD2 -0.00 0.05 0.05 -0.04 3.22 3.28 2dx7B1 ARG 172 HD3 -0.00 -0.03 0.02 -0.04 3.22 3.16 2dx7B1 GLU 173 H -0.00 0.51 -0.10 -0.55 8.60 8.47 2dx7B1 GLU 173 HA -0.00 0.02 0.40 -0.75 4.29 3.95 2dx7B1 GLU 173 HB2 0.00 0.08 0.16 -0.04 2.09 2.29 2dx7B1 GLU 173 HB3 -0.00 -0.05 0.03 -0.04 1.99 1.92 2dx7B1 GLU 173 HG2 -0.00 -0.04 0.05 -0.04 2.34 2.31 2dx7B1 GLU 173 HG3 -0.00 0.19 0.15 -0.04 2.34 2.64 2dx7B1 LEU 174 H 0.00 0.55 -0.13 -0.55 8.37 8.24 2dx7B1 LEU 174 HA -0.00 0.04 0.48 -0.75 4.35 4.11 2dx7B1 LEU 174 HB2 0.01 0.03 0.12 -0.04 1.64 1.76 2dx7B1 LEU 174 HB3 0.01 -0.00 -0.03 -0.04 1.64 1.57 2dx7B1 LEU 174 HG 0.00 0.13 0.05 -0.04 1.64 1.79 2dx7B1 LEU 174 HD13 0.01 -0.01 -0.13 -0.04 0.93 0.76 2dx7B1 LEU 174 HD23 0.00 -0.02 -0.01 -0.04 0.89 0.82 2dx7B1 LEU 175 H -0.00 0.63 -0.02 -0.55 8.37 8.43 2dx7B1 LEU 175 HA -0.01 -0.01 0.50 -0.75 4.35 4.08 2dx7B1 LEU 175 HB2 -0.01 0.15 0.07 -0.04 1.64 1.81 2dx7B1 LEU 175 HB3 -0.01 -0.06 -0.01 -0.04 1.64 1.51 2dx7B1 LEU 175 HG -0.00 0.08 0.04 -0.04 1.64 1.71 2dx7B1 LEU 175 HD13 -0.02 -0.03 -0.16 -0.04 0.93 0.69 2dx7B1 LEU 175 HD23 -0.01 -0.03 -0.04 -0.04 0.89 0.77 2dx7B1 LEU 176 H -0.01 0.78 -0.03 -0.55 8.37 8.56 2dx7B1 LEU 176 HA -0.01 0.02 0.42 -0.75 4.35 4.02 2dx7B1 LEU 176 HB2 -0.01 0.04 0.12 -0.04 1.64 1.74 2dx7B1 LEU 176 HB3 -0.01 0.07 0.13 -0.04 1.64 1.79 2dx7B1 LEU 176 HG -0.01 -0.03 -0.19 -0.04 1.64 1.37 2dx7B1 LEU 176 HD13 -0.01 0.00 0.03 -0.04 0.93 0.91 2dx7B1 LEU 176 HD23 -0.01 0.00 -0.02 -0.04 0.89 0.83 2dx7B1 LYS 177 H -0.01 0.52 -0.12 -0.55 8.42 8.26 2dx7B1 LYS 177 HA -0.01 0.05 0.43 -0.75 4.32 4.04 2dx7B1 LYS 177 HB2 -0.01 -0.05 0.09 -0.04 1.87 1.87 2dx7B1 LYS 177 HB3 -0.01 0.11 0.16 -0.04 1.79 2.02 2dx7B1 LYS 177 HG2 -0.01 0.16 0.16 -0.04 1.46 1.74 2dx7B1 LYS 177 HG3 -0.01 -0.07 -0.22 -0.04 1.46 1.12 2dx7B1 LYS 177 HD2 -0.00 -0.04 -0.01 -0.04 1.69 1.59 2dx7B1 LYS 177 HD3 -0.00 0.04 -0.01 -0.04 1.68 1.67 2dx7B1 LYS 177 HE2 -0.00 -0.01 0.03 -0.04 2.99 2.97 2dx7B1 LYS 177 HE3 -0.00 -0.06 -0.00 -0.04 2.99 2.89 2dx7B1 THR 178 H -0.01 0.33 -0.44 -0.55 8.28 7.61 2dx7B1 THR 178 HA -0.01 0.01 0.46 -0.75 4.39 4.09 2dx7B1 THR 178 HB -0.02 0.10 0.13 -0.04 4.32 4.49 2dx7B1 THR 178 HG23 -0.02 -0.04 -0.07 -0.04 1.22 1.05 2dx7B1 ALA 179 H -0.02 0.60 -0.12 -0.55 8.40 8.32 2dx7B1 ALA 179 HA -0.03 -0.03 0.36 -0.75 4.34 3.89 2dx7B1 ALA 179 HB3 -0.02 0.03 0.05 -0.04 1.41 1.43 2dx7B1 LYS 180 H -0.02 0.56 -0.20 -0.55 8.42 8.21 2dx7B1 LYS 180 HA -0.02 0.05 0.46 -0.75 4.32 4.06 2dx7B1 LYS 180 HB2 -0.01 0.06 0.15 -0.04 1.87 2.03 2dx7B1 LYS 180 HB3 -0.01 -0.03 0.03 -0.04 1.79 1.73 2dx7B1 LYS 180 HG2 -0.01 -0.03 0.04 -0.04 1.46 1.42 2dx7B1 LYS 180 HG3 -0.01 0.19 0.05 -0.04 1.46 1.65 2dx7B1 LYS 180 HD2 -0.01 -0.05 -0.04 -0.04 1.69 1.56 2dx7B1 LYS 180 HD3 -0.01 -0.03 0.01 -0.04 1.68 1.61 2dx7B1 LYS 180 HE2 -0.01 0.11 0.05 -0.04 2.99 3.10 2dx7B1 LYS 180 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2dx7B1 ILE 181 H -0.02 0.48 -0.16 -0.55 8.25 8.00 2dx7B1 ILE 181 HA -0.01 0.05 0.45 -0.75 4.18 3.91 2dx7B1 ILE 181 HB -0.01 0.09 0.14 -0.04 1.89 2.07 2dx7B1 ILE 181 HG12 -0.01 -0.01 0.01 -0.04 1.49 1.43 2dx7B1 ILE 181 HG13 -0.01 0.01 0.07 -0.04 1.21 1.25 2dx7B1 ILE 181 HG23 -0.02 0.04 -0.03 -0.04 0.93 0.89 2dx7B1 ILE 181 HD13 -0.01 -0.02 0.01 -0.04 0.88 0.82 2dx7B1 LEU 182 H -0.02 0.43 -0.34 -0.55 8.37 7.89 2dx7B1 LEU 182 HA -0.02 0.02 0.34 -0.75 4.35 3.94 2dx7B1 LEU 182 HB2 -0.03 0.20 0.11 -0.04 1.64 1.87 2dx7B1 LEU 182 HB3 -0.04 -0.08 -0.03 -0.04 1.64 1.46 2dx7B1 LEU 182 HG -0.03 0.14 -0.03 -0.04 1.64 1.69 2dx7B1 LEU 182 HD13 -0.04 -0.04 -0.15 -0.04 0.93 0.65 2dx7B1 LEU 182 HD23 -0.03 -0.03 -0.26 -0.04 0.89 0.53 2dx7B1 GLU 183 H -0.03 0.35 -0.33 -0.55 8.60 8.04 2dx7B1 GLU 183 HA -0.04 0.11 0.42 -0.75 4.29 4.03 2dx7B1 GLU 183 HB2 -0.03 0.19 0.23 -0.04 2.09 2.45 2dx7B1 GLU 183 HB3 -0.03 -0.02 -0.01 -0.04 1.99 1.89 2dx7B1 GLU 183 HG2 -0.05 0.06 -0.03 -0.04 2.34 2.28 2dx7B1 GLU 183 HG3 -0.04 0.11 0.01 -0.04 2.34 2.38 2dx7B1 GLU 184 H -0.02 0.45 -0.09 -0.55 8.60 8.40 2dx7B1 GLU 184 HA -0.02 0.04 0.39 -0.75 4.29 3.95 2dx7B1 GLU 184 HB2 -0.01 -0.02 0.11 -0.04 2.09 2.13 2dx7B1 GLU 184 HB3 -0.01 0.08 0.17 -0.04 1.99 2.18 2dx7B1 GLU 184 HG2 -0.01 0.02 0.03 -0.04 2.34 2.34 2dx7B1 GLU 184 HG3 -0.01 -0.05 0.02 -0.04 2.34 2.26 2dx7B1 ARG 185 H -0.02 0.35 -0.45 -0.55 8.46 7.79 2dx7B1 ARG 185 HA -0.01 0.07 0.54 -0.75 4.34 4.18 2dx7B1 ARG 185 HB2 -0.02 0.05 0.08 -0.04 1.90 1.98 2dx7B1 ARG 185 HB3 -0.01 -0.06 0.12 -0.04 1.80 1.81 2dx7B1 ARG 185 HG2 -0.01 -0.04 -0.00 -0.04 1.67 1.58 2dx7B1 ARG 185 HG3 -0.01 0.14 0.02 -0.04 1.67 1.78 2dx7B1 ARG 185 HD2 -0.02 -0.03 -0.09 -0.04 3.22 3.04 2dx7B1 ARG 185 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.13 2dx7B1 GLY 186 H -0.02 0.47 -0.64 -0.55 8.43 7.69 2dx7B1 GLY 186 HA2 -0.02 0.02 0.22 -0.51 4.01 3.72 2dx7B1 GLY 186 HA3 -0.02 0.13 0.85 -0.51 4.01 4.47 2dx7B1 ALA 187 H -0.04 0.45 0.04 -0.55 8.40 8.31 2dx7B1 ALA 187 HA -0.04 -0.01 0.26 -0.75 4.34 3.79 2dx7B1 ALA 187 HB3 -0.05 -0.03 -0.11 -0.04 1.41 1.18 2dx7B1 GLU 188 H -0.12 0.51 0.34 -0.55 8.60 8.78 2dx7B1 GLU 188 HA -0.27 0.15 0.67 -0.75 4.29 4.07 2dx7B1 GLU 188 HB2 -0.42 -0.01 0.17 -0.04 2.09 1.79 2dx7B1 GLU 188 HB3 -0.80 0.01 0.20 -0.04 1.99 1.36 2dx7B1 GLU 188 HG2 -0.10 0.04 0.06 -0.04 2.34 2.30 2dx7B1 GLU 188 HG3 -0.08 0.13 0.21 -0.04 2.34 2.56 2dx7B1 CYS 189 H -0.16 0.16 -0.05 -0.55 8.50 7.91 2dx7B1 CYS 189 HA -0.14 0.16 0.36 -0.75 4.58 4.21 2dx7B1 CYS 189 HB2 0.07 0.05 0.03 -0.04 2.97 3.08 2dx7B1 CYS 189 HB3 -0.25 0.19 -0.09 -0.04 2.97 2.79 2dx7B1 ILE 190 H -0.01 0.74 0.23 -0.55 8.25 8.65 2dx7B1 ILE 190 HA -0.03 0.21 1.05 -0.75 4.18 4.66 2dx7B1 ILE 190 HB -0.02 -0.01 0.07 -0.04 1.89 1.89 2dx7B1 ILE 190 HG12 -0.04 0.02 -0.31 -0.04 1.49 1.11 2dx7B1 ILE 190 HG13 -0.03 -0.01 -0.12 -0.04 1.21 1.01 2dx7B1 ILE 190 HG23 -0.03 -0.03 -0.22 -0.04 0.93 0.61 2dx7B1 ILE 190 HD13 -0.04 0.04 -0.10 -0.04 0.88 0.73 2dx7B1 ILE 191 H -0.04 0.83 0.31 -0.55 8.25 8.80 2dx7B1 ILE 191 HA 0.03 0.28 0.85 -0.75 4.18 4.58 2dx7B1 ILE 191 HB -0.18 -0.12 0.15 -0.04 1.89 1.70 2dx7B1 ILE 191 HG12 0.03 0.09 -0.19 -0.04 1.49 1.37 2dx7B1 ILE 191 HG13 0.01 -0.02 -0.18 -0.04 1.21 0.98 2dx7B1 ILE 191 HG23 -0.01 -0.02 -0.20 -0.04 0.93 0.65 2dx7B1 ILE 191 HD13 0.23 0.02 -0.24 -0.04 0.88 0.85 2dx7B1 ALA 192 H 0.01 0.78 0.23 -0.55 8.40 8.87 2dx7B1 ALA 192 HA -0.04 0.09 0.62 -0.75 4.34 4.26 2dx7B1 ALA 192 HB3 -0.00 -0.01 0.08 -0.04 1.41 1.44 2dx7B1 GLY 193 H -0.14 0.63 0.17 -0.55 8.43 8.54 2dx7B1 GLY 193 HA2 -0.06 0.03 0.36 -0.51 4.01 3.83 2dx7B1 GLY 193 HA3 -0.28 -0.03 0.29 -0.51 4.01 3.49 2dx7B1 CYS 194 H -0.03 0.26 -0.59 -0.55 8.50 7.60 2dx7B1 CYS 194 HA 0.01 0.09 0.83 -0.75 4.58 4.76 2dx7B1 CYS 194 HB2 -0.01 -0.07 -0.07 -0.04 2.97 2.77 2dx7B1 CYS 194 HB3 -0.03 0.06 0.00 -0.04 2.97 2.97 2dx7B1 THR 195 H 0.01 0.16 0.12 -0.55 8.28 8.02 2dx7B1 THR 195 HA 0.01 0.11 0.35 -0.75 4.39 4.10 2dx7B1 THR 195 HB 0.02 0.08 0.08 -0.04 4.32 4.45 2dx7B1 THR 195 HG23 0.02 -0.02 0.11 -0.04 1.22 1.29 2dx7B1 GLU 196 H -0.04 0.00 -0.25 -0.55 8.60 7.76 2dx7B1 GLU 196 HA -0.04 0.13 0.33 -0.75 4.29 3.96 2dx7B1 GLU 196 HB2 -0.09 -0.11 0.02 -0.04 2.09 1.87 2dx7B1 GLU 196 HB3 -0.08 0.07 -0.02 -0.04 1.99 1.92 2dx7B1 GLU 196 HG2 -0.20 0.09 0.03 -0.04 2.34 2.22 2dx7B1 GLU 196 HG3 -0.09 0.10 -0.01 -0.04 2.34 2.30 2dx7B1 VAL 197 H -0.03 0.17 -0.30 -0.55 8.24 7.54 2dx7B1 VAL 197 HA -0.02 0.02 0.31 -0.75 4.13 3.68 2dx7B1 VAL 197 HB -0.02 0.12 0.13 -0.04 2.12 2.31 2dx7B1 VAL 197 HG13 -0.02 0.03 -0.16 -0.04 0.97 0.78 2dx7B1 VAL 197 HG23 -0.03 -0.02 -0.02 -0.04 0.95 0.84 2dx7B1 SER 198 H -0.01 0.21 -0.15 -0.55 8.46 7.96 2dx7B1 SER 198 HA -0.00 0.23 0.42 -0.75 4.49 4.39 2dx7B1 SER 198 HB2 0.00 0.06 0.05 -0.04 3.95 4.03 2dx7B1 SER 198 HB3 0.00 0.04 0.06 -0.04 3.93 4.00 2dx7B1 VAL 199 H -0.01 0.33 -0.48 -0.55 8.24 7.53 2dx7B1 VAL 199 HA -0.01 0.04 0.38 -0.75 4.13 3.80 2dx7B1 VAL 199 HB -0.02 0.12 0.16 -0.04 2.12 2.34 2dx7B1 VAL 199 HG13 -0.01 -0.01 -0.11 -0.04 0.97 0.79 2dx7B1 VAL 199 HG23 -0.01 -0.01 0.02 -0.04 0.95 0.91 2dx7B1 VAL 200 H -0.01 0.23 -0.07 -0.55 8.24 7.84 2dx7B1 VAL 200 HA -0.01 0.24 0.92 -0.75 4.13 4.53 2dx7B1 VAL 200 HB -0.01 -0.03 0.09 -0.04 2.12 2.13 2dx7B1 VAL 200 HG13 -0.01 -0.02 -0.08 -0.04 0.97 0.82 2dx7B1 VAL 200 HG23 -0.01 -0.01 -0.21 -0.04 0.95 0.68 2dx7B1 LEU 201 H -0.01 0.41 -0.05 -0.55 8.37 8.18 2dx7B1 LEU 201 HA -0.01 0.12 0.87 -0.75 4.35 4.58 2dx7B1 LEU 201 HB2 -0.01 0.17 0.02 -0.04 1.64 1.77 2dx7B1 LEU 201 HB3 -0.01 -0.01 -0.14 -0.04 1.64 1.43 2dx7B1 LEU 201 HG -0.01 -0.05 -0.21 -0.04 1.64 1.33 2dx7B1 LEU 201 HD13 -0.02 -0.02 -0.15 -0.04 0.93 0.70 2dx7B1 LEU 201 HD23 -0.01 0.01 -0.11 -0.04 0.89 0.74 2dx7B1 LYS 202 H -0.00 0.18 0.10 -0.55 8.42 8.14 2dx7B1 LYS 202 HA 0.00 0.25 0.90 -0.75 4.32 4.72 2dx7B1 LYS 202 HB2 0.00 -0.06 0.01 -0.04 1.87 1.78 2dx7B1 LYS 202 HB3 0.00 -0.03 0.09 -0.04 1.79 1.81 2dx7B1 LYS 202 HG2 -0.00 0.03 -0.29 -0.04 1.46 1.16 2dx7B1 LYS 202 HG3 -0.00 0.01 -0.07 -0.04 1.46 1.36 2dx7B1 LYS 202 HD2 0.00 -0.06 -0.05 -0.04 1.69 1.54 2dx7B1 LYS 202 HD3 0.00 0.19 -0.44 -0.04 1.68 1.39 2dx7B1 LYS 202 HE2 -0.00 0.05 -0.30 -0.04 2.99 2.69 2dx7B1 LYS 202 HE3 -0.00 -0.09 -0.06 -0.04 2.99 2.79 2dx7B1 GLN 203 H 0.01 0.20 0.15 -0.55 8.47 8.28 2dx7B1 GLN 203 HA 0.01 0.09 0.38 -0.75 4.36 4.08 2dx7B1 GLN 203 HB2 0.01 0.01 0.17 -0.04 2.15 2.30 2dx7B1 GLN 203 HB3 0.01 -0.02 0.11 -0.04 2.02 2.09 2dx7B1 GLN 203 HG2 0.02 0.02 -0.01 -0.04 2.40 2.39 2dx7B1 GLN 203 HG3 0.01 0.09 -0.19 -0.04 2.39 2.26 2dx7B1 GLN 203 HE21 0.01 0.40 -0.15 -0.04 6.97 7.18 2dx7B1 GLN 203 HE22 0.01 0.11 0.05 -0.04 7.69 7.81 2dx7B1 ASP 204 H 0.00 0.02 -0.23 -0.55 8.40 7.65 2dx7B1 ASP 204 HA 0.00 0.17 0.40 -0.75 4.63 4.45 2dx7B1 ASP 204 HB2 0.00 -0.06 0.00 -0.04 2.71 2.61 2dx7B1 ASP 204 HB3 0.00 0.04 0.02 -0.04 2.70 2.72 2dx7B1 ASP 205 H -0.00 0.31 -0.41 -0.55 8.40 7.75 2dx7B1 ASP 205 HA -0.00 0.10 0.56 -0.75 4.63 4.54 2dx7B1 ASP 205 HB2 -0.00 0.08 0.05 -0.04 2.71 2.80 2dx7B1 ASP 205 HB3 -0.01 -0.04 0.10 -0.04 2.70 2.71 2dx7B1 LEU 206 H -0.00 0.39 -0.27 -0.55 8.37 7.95 2dx7B1 LEU 206 HA -0.01 0.15 1.00 -0.75 4.35 4.74 2dx7B1 LEU 206 HB2 -0.01 0.14 -0.02 -0.04 1.64 1.71 2dx7B1 LEU 206 HB3 -0.02 -0.13 0.01 -0.04 1.64 1.46 2dx7B1 LEU 206 HG -0.01 -0.04 -0.30 -0.04 1.64 1.25 2dx7B1 LEU 206 HD13 -0.01 -0.03 -0.16 -0.04 0.93 0.69 2dx7B1 LEU 206 HD23 -0.02 0.04 -0.16 -0.04 0.89 0.71 2dx7B1 LYS 207 H -0.02 0.06 0.12 -0.55 8.42 8.03 2dx7B1 LYS 207 HA -0.01 0.16 0.60 -0.75 4.32 4.32 2dx7B1 LYS 207 HB2 -0.02 0.01 0.02 -0.04 1.87 1.83 2dx7B1 LYS 207 HB3 -0.01 0.02 0.06 -0.04 1.79 1.81 2dx7B1 LYS 207 HG2 -0.01 0.04 -0.08 -0.04 1.46 1.37 2dx7B1 LYS 207 HG3 -0.01 -0.04 0.03 -0.04 1.46 1.39 2dx7B1 LYS 207 HD2 -0.02 0.01 -0.02 -0.04 1.69 1.63 2dx7B1 LYS 207 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.62 2dx7B1 LYS 207 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2dx7B1 LYS 207 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.91 2dx7B1 VAL 208 H -0.03 -0.06 -0.06 -0.55 8.24 7.53 2dx7B1 VAL 208 HA -0.05 0.27 0.81 -0.75 4.13 4.40 2dx7B1 VAL 208 HB -0.19 0.31 -0.30 -0.04 2.12 1.90 2dx7B1 VAL 208 HG13 -0.10 0.05 -0.10 -0.04 0.97 0.77 2dx7B1 VAL 208 HG23 -0.07 -0.05 -0.30 -0.04 0.95 0.49 2dx7B1 PRO 209 HA 0.04 0.03 0.41 -0.51 4.44 4.41 2dx7B1 PRO 209 HB2 0.19 -0.05 0.04 -0.04 2.28 2.41 2dx7B1 PRO 209 HB3 0.13 0.02 0.02 -0.04 2.02 2.15 2dx7B1 PRO 209 HG2 0.44 0.09 0.10 -0.04 2.03 2.62 2dx7B1 PRO 209 HG3 0.15 0.05 0.08 -0.04 2.03 2.26 2dx7B1 PRO 209 HD2 -0.18 0.37 0.34 -0.04 3.68 4.17 2dx7B1 PRO 209 HD3 -0.00 0.17 0.26 -0.04 3.65 4.04 2dx7B1 LEU 210 H 0.03 0.17 0.17 -0.55 8.37 8.20 2dx7B1 LEU 210 HA 0.01 0.14 0.78 -0.75 4.35 4.54 2dx7B1 LEU 210 HB2 0.01 0.08 -0.04 -0.04 1.64 1.64 2dx7B1 LEU 210 HB3 0.02 -0.06 0.15 -0.04 1.64 1.70 2dx7B1 LEU 210 HG 0.01 -0.08 -0.29 -0.04 1.64 1.24 2dx7B1 LEU 210 HD13 -0.00 0.03 -0.13 -0.04 0.93 0.79 2dx7B1 LEU 210 HD23 0.00 0.01 -0.27 -0.04 0.89 0.59 2dx7B1 ILE 211 H 0.04 0.79 0.28 -0.55 8.25 8.81 2dx7B1 ILE 211 HA 0.05 0.20 1.04 -0.75 4.18 4.71 2dx7B1 ILE 211 HB 0.10 -0.01 -0.03 -0.04 1.89 1.91 2dx7B1 ILE 211 HG12 0.07 0.05 -0.19 -0.04 1.49 1.38 2dx7B1 ILE 211 HG13 0.10 -0.04 -0.58 -0.04 1.21 0.64 2dx7B1 ILE 211 HG23 0.08 -0.02 -0.28 -0.04 0.93 0.67 2dx7B1 ILE 211 HD13 0.15 0.02 -0.18 -0.04 0.88 0.83 2dx7B1 ASP 212 H 0.04 0.28 0.11 -0.55 8.40 8.28 2dx7B1 ASP 212 HA 0.04 0.23 0.89 -0.75 4.63 5.04 2dx7B1 ASP 212 HB2 0.03 0.12 0.04 -0.04 2.71 2.85 2dx7B1 ASP 212 HB3 0.03 -0.02 0.20 -0.04 2.70 2.88 2dx7B1 PRO 213 HA 0.08 0.11 0.34 -0.51 4.44 4.45 2dx7B1 PRO 213 HB2 0.12 -0.03 -0.05 -0.04 2.28 2.28 2dx7B1 PRO 213 HB3 0.11 0.09 -0.03 -0.04 2.02 2.14 2dx7B1 PRO 213 HG2 0.28 -0.01 -0.08 -0.04 2.03 2.19 2dx7B1 PRO 213 HG3 0.24 0.10 -0.07 -0.04 2.03 2.26 2dx7B1 PRO 213 HD2 0.08 0.24 0.13 -0.04 3.68 4.10 2dx7B1 PRO 213 HD3 0.08 0.29 0.12 -0.04 3.65 4.10 2dx7B1 MET 214 H 0.06 0.13 -0.33 -0.55 8.47 7.78 2dx7B1 MET 214 HA 0.06 0.06 0.37 -0.75 4.52 4.26 2dx7B1 MET 214 HB2 0.06 -0.06 0.02 -0.04 2.15 2.13 2dx7B1 MET 214 HB3 0.05 0.02 -0.01 -0.04 2.03 2.04 2dx7B1 MET 214 HG2 0.05 0.10 -0.26 -0.04 2.63 2.48 2dx7B1 MET 214 HG3 0.06 -0.01 0.00 -0.04 2.56 2.58 2dx7B1 MET 214 HE3 0.06 -0.02 0.04 -0.04 2.10 2.14 2dx7B1 ASP 215 H 0.04 0.21 -0.19 -0.55 8.40 7.91 2dx7B1 ASP 215 HA 0.04 0.11 0.41 -0.75 4.63 4.44 2dx7B1 ASP 215 HB2 0.03 0.09 0.17 -0.04 2.71 2.96 2dx7B1 ASP 215 HB3 0.03 0.08 -0.01 -0.04 2.70 2.76 2dx7B1 VAL 216 H 0.04 0.28 -0.19 -0.55 8.24 7.82 2dx7B1 VAL 216 HA 0.02 0.11 0.34 -0.75 4.13 3.85 2dx7B1 VAL 216 HB 0.03 0.04 0.09 -0.04 2.12 2.24 2dx7B1 VAL 216 HG13 -0.02 0.01 -0.31 -0.04 0.97 0.61 2dx7B1 VAL 216 HG23 0.03 0.04 -0.11 -0.04 0.95 0.87 2dx7B1 ILE 217 H 0.04 0.59 -0.02 -0.55 8.25 8.31 2dx7B1 ILE 217 HA 0.04 0.04 0.34 -0.75 4.18 3.84 2dx7B1 ILE 217 HB 0.04 -0.08 0.09 -0.04 1.89 1.91 2dx7B1 ILE 217 HG12 0.11 -0.11 -0.05 -0.04 1.49 1.40 2dx7B1 ILE 217 HG13 0.11 0.05 -0.11 -0.04 1.21 1.22 2dx7B1 ILE 217 HG23 0.08 0.02 -0.04 -0.04 0.93 0.95 2dx7B1 ILE 217 HD13 0.07 0.01 -0.17 -0.04 0.88 0.75 2dx7B1 ALA 218 H 0.06 0.37 -0.45 -0.55 8.40 7.82 2dx7B1 ALA 218 HA 0.09 0.00 0.34 -0.75 4.34 4.01 2dx7B1 ALA 218 HB3 0.06 0.04 0.01 -0.04 1.41 1.48 2dx7B1 GLU 219 H 0.04 0.52 -0.15 -0.55 8.60 8.47 2dx7B1 GLU 219 HA 0.04 0.09 0.41 -0.75 4.29 4.07 2dx7B1 GLU 219 HB2 0.02 0.06 0.17 -0.04 2.09 2.30 2dx7B1 GLU 219 HB3 0.01 -0.02 -0.01 -0.04 1.99 1.93 2dx7B1 GLU 219 HG2 0.02 0.02 0.03 -0.04 2.34 2.37 2dx7B1 GLU 219 HG3 0.03 0.16 0.09 -0.04 2.34 2.57 2dx7B1 VAL 220 H 0.02 0.53 -0.11 -0.55 8.24 8.13 2dx7B1 VAL 220 HA -0.01 0.05 0.38 -0.75 4.13 3.79 2dx7B1 VAL 220 HB 0.01 0.01 0.06 -0.04 2.12 2.16 2dx7B1 VAL 220 HG13 -0.07 -0.01 -0.17 -0.04 0.97 0.68 2dx7B1 VAL 220 HG23 -0.02 0.03 -0.03 -0.04 0.95 0.88 2dx7B1 ALA 221 H 0.08 0.59 -0.21 -0.55 8.40 8.31 2dx7B1 ALA 221 HA 0.20 -0.04 0.32 -0.75 4.34 4.07 2dx7B1 ALA 221 HB3 0.22 0.02 0.04 -0.04 1.41 1.65 2dx7B1 VAL 222 H 0.09 0.47 -0.23 -0.55 8.24 8.02 2dx7B1 VAL 222 HA 0.11 0.03 0.38 -0.75 4.13 3.89 2dx7B1 VAL 222 HB 0.05 0.08 0.13 -0.04 2.12 2.34 2dx7B1 VAL 222 HG13 0.04 0.04 -0.11 -0.04 0.97 0.90 2dx7B1 VAL 222 HG23 0.08 0.04 -0.02 -0.04 0.95 1.02 2dx7B1 LYS 223 H 0.03 0.46 -0.15 -0.55 8.42 8.20 2dx7B1 LYS 223 HA 0.01 0.07 0.31 -0.75 4.32 3.95 2dx7B1 LYS 223 HB2 -0.00 0.02 0.09 -0.04 1.87 1.94 2dx7B1 LYS 223 HB3 -0.02 0.02 0.11 -0.04 1.79 1.86 2dx7B1 LYS 223 HG2 -0.03 -0.02 -0.30 -0.04 1.46 1.07 2dx7B1 LYS 223 HG3 -0.01 0.03 -0.04 -0.04 1.46 1.41 2dx7B1 LYS 223 HD2 -0.02 -0.01 -0.04 -0.04 1.69 1.59 2dx7B1 LYS 223 HD3 -0.03 -0.05 -0.06 -0.04 1.68 1.50 2dx7B1 LYS 223 HE2 -0.02 -0.04 -0.04 -0.04 2.99 2.84 2dx7B1 LYS 223 HE3 -0.03 -0.03 -0.06 -0.04 2.99 2.83 2dx7B1 VAL 224 H -0.04 0.62 -0.16 -0.55 8.24 8.12 2dx7B1 VAL 224 HA -0.08 -0.06 0.35 -0.75 4.13 3.59 2dx7B1 VAL 224 HB -0.42 0.05 0.04 -0.04 2.12 1.76 2dx7B1 VAL 224 HG13 -0.43 0.02 -0.11 -0.04 0.97 0.41 2dx7B1 VAL 224 HG23 -0.24 0.01 -0.03 -0.04 0.95 0.65 2dx7B1 ALA 225 H 0.13 0.63 -0.17 -0.55 8.40 8.43 2dx7B1 ALA 225 HA 0.22 -0.06 0.46 -0.75 4.34 4.21 2dx7B1 ALA 225 HB3 0.17 0.03 0.13 -0.04 1.41 1.70 2dx7B1 LEU 226 H 0.05 0.72 -0.07 -0.55 8.37 8.53 2dx7B1 LEU 226 HA 0.03 0.04 0.51 -0.75 4.35 4.17 2dx7B1 LEU 226 HB2 0.02 0.05 0.08 -0.04 1.64 1.74 2dx7B1 LEU 226 HB3 0.01 -0.07 0.20 -0.04 1.64 1.73 2dx7B1 LEU 226 HG 0.04 0.15 0.11 -0.04 1.64 1.89 2dx7B1 LEU 226 HD13 -0.00 -0.03 0.06 -0.04 0.93 0.91 2dx7B1 LEU 226 HD23 0.02 -0.02 -0.00 -0.04 0.89 0.85 2dx7B1 GLU 227 H 0.04 -0.07 -1.81 -0.55 8.60 6.21 2dx7B1 GLU 227 HA 0.01 0.19 0.42 -0.75 4.29 4.15 2dx7B1 GLU 227 HB2 0.01 0.20 0.27 -0.04 2.09 2.53 2dx7B1 GLU 227 HB3 0.01 -0.13 0.01 -0.04 1.99 1.83 2dx7B1 GLU 227 HG2 0.03 0.05 -0.03 -0.04 2.34 2.35 2dx7B1 GLU 227 HG3 0.02 0.05 -0.28 -0.04 2.34 2.09 2dx7B1 LYS 228 H -0.03 0.52 0.13 -0.55 8.42 8.49 2dx7B1 LYS 228 HA -0.03 0.09 0.28 -0.75 4.32 3.90 2dx7B1 LYS 228 HB2 -0.03 0.22 -0.19 -0.04 1.87 1.84 2dx7B1 LYS 228 HB3 -0.06 -0.07 -0.33 -0.04 1.79 1.29 2dx7B1 LYS 228 HG2 -0.05 -0.05 -0.00 -0.04 1.46 1.32 2dx7B1 LYS 228 HG3 -0.03 0.01 -0.01 -0.04 1.46 1.38 2dx7B1 LYS 228 HD2 -0.04 0.02 -0.11 -0.04 1.69 1.52 2dx7B1 LYS 228 HD3 -0.07 -0.03 -0.13 -0.04 1.68 1.41 2dx7B1 LYS 228 HE2 -0.06 -0.02 -0.04 -0.04 2.99 2.84 2dx7B1 LYS 228 HE3 -0.04 0.01 -0.04 -0.04 2.99 2.88