============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 5 1.000 25.004 41.252 23.109 -99.200 -91.000 PHE 17 1.000 20.639 45.064 26.899 -99.200 -91.000 TYR 25 0.840 27.430 57.655 25.924 -99.200 -91.000 TYR 39 0.840 18.578 43.667 17.398 -99.200 -91.000 HIS 57 0.900 33.264 41.706 40.388 -99.200 -91.000 PHE 62 1.000 33.553 31.807 34.964 -99.200 -91.000 PHE 68 1.000 19.793 34.535 32.471 -99.200 -91.000 PHE 77 1.000 34.829 36.401 25.855 -99.200 -91.000 PHE 84 1.000 43.605 40.660 22.758 -99.200 -91.000 PHE 94 1.000 33.863 35.286 30.796 -99.200 -91.000 TYR 96 0.840 40.158 26.118 28.710 -99.200 -91.000 PHE 156 1.000 41.843 26.645 20.111 -99.200 -91.000 PHE 158 1.000 39.249 31.217 18.779 -99.200 -91.000 PHE 167 1.000 37.982 35.849 16.736 -99.200 -91.000 TRP 183 1.040 27.312 36.460 14.081 -99.200 -91.000 TRP6 183 1.020 26.459 36.272 16.287 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fh5B1 ARG 63 HA 0.03 -0.05 0.23 -0.75 4.34 3.80 2fh5B1 ARG 63 HB2 0.01 -0.02 0.04 -0.04 1.90 1.89 2fh5B1 ARG 63 HB3 0.03 0.06 0.19 -0.04 1.80 2.04 2fh5B1 ARG 63 HG2 0.02 -0.04 0.08 -0.04 1.67 1.69 2fh5B1 ARG 63 HG3 0.01 -0.03 0.07 -0.04 1.67 1.67 2fh5B1 ARG 63 HD2 0.01 -0.04 0.01 -0.04 3.22 3.17 2fh5B1 ARG 63 HD3 0.01 0.04 -0.03 -0.04 3.22 3.20 2fh5B1 ALA 64 H 0.05 0.41 0.28 -0.55 8.40 8.59 2fh5B1 ALA 64 HA 0.06 0.13 0.78 -0.75 4.34 4.56 2fh5B1 ALA 64 HB3 0.05 0.03 0.01 -0.04 1.41 1.45 2fh5B1 VAL 65 H 0.09 0.54 0.28 -0.55 8.24 8.60 2fh5B1 VAL 65 HA 0.04 0.33 0.98 -0.75 4.13 4.73 2fh5B1 VAL 65 HB 0.19 -0.11 0.07 -0.04 2.12 2.23 2fh5B1 VAL 65 HG13 -0.07 -0.02 -0.30 -0.04 0.97 0.54 2fh5B1 VAL 65 HG23 0.07 0.02 -0.18 -0.04 0.95 0.83 2fh5B1 LEU 66 H 0.01 0.61 0.34 -0.55 8.37 8.78 2fh5B1 LEU 66 HA 0.06 0.25 0.97 -0.75 4.35 4.87 2fh5B1 LEU 66 HB2 0.02 -0.06 0.13 -0.04 1.64 1.69 2fh5B1 LEU 66 HB3 0.04 -0.01 -0.02 -0.04 1.64 1.60 2fh5B1 LEU 66 HG 0.05 0.09 -0.04 -0.04 1.64 1.70 2fh5B1 LEU 66 HD13 0.12 0.03 -0.19 -0.04 0.93 0.84 2fh5B1 LEU 66 HD23 0.01 0.01 -0.23 -0.04 0.89 0.63 2fh5B1 PHE 67 H 0.24 0.65 0.42 -0.55 8.34 9.10 2fh5B1 PHE 67 HA -0.06 0.29 1.01 -0.75 4.62 5.10 2fh5B1 PHE 67 HB2 -0.09 -0.05 0.25 -0.04 3.15 3.21 2fh5B1 PHE 67 HB3 -0.08 -0.12 0.06 -0.04 3.06 2.88 2fh5B1 PHE 67 HD2 -0.01 0.04 -0.09 -0.04 7.28 7.17 2fh5B1 PHE 67 HE2 0.01 -0.01 -0.14 -0.04 7.38 7.20 2fh5B1 PHE 67 HZ -0.03 0.03 -0.16 -0.04 7.32 7.11 2fh5B1 VAL 68 H -0.12 0.68 0.43 -0.55 8.24 8.67 2fh5B1 VAL 68 HA -0.01 0.24 0.90 -0.75 4.13 4.50 2fh5B1 VAL 68 HB 0.06 -0.04 0.02 -0.04 2.12 2.12 2fh5B1 VAL 68 HG13 0.05 0.01 -0.28 -0.04 0.97 0.72 2fh5B1 VAL 68 HG23 -0.22 0.02 -0.17 -0.04 0.95 0.54 2fh5B1 GLY 69 H 0.14 0.31 0.16 -0.55 8.43 8.49 2fh5B1 GLY 69 HA2 -0.77 0.04 0.37 -0.51 4.01 3.14 2fh5B1 GLY 69 HA3 -0.37 0.16 0.66 -0.51 4.01 3.95 2fh5B1 LEU 70 H 0.02 0.14 0.15 -0.55 8.37 8.14 2fh5B1 LEU 70 HA -0.05 0.16 0.39 -0.75 4.35 4.09 2fh5B1 LEU 70 HB2 0.05 -0.01 0.02 -0.04 1.64 1.66 2fh5B1 LEU 70 HB3 0.01 -0.01 0.13 -0.04 1.64 1.74 2fh5B1 LEU 70 HG 0.22 -0.02 0.06 -0.04 1.64 1.86 2fh5B1 LEU 70 HD13 0.11 -0.01 -0.07 -0.04 0.93 0.91 2fh5B1 LEU 70 HD23 0.10 0.05 -0.07 -0.04 0.89 0.94 2fh5B1 CYS 71 H -0.05 0.16 0.12 -0.55 8.50 8.18 2fh5B1 CYS 71 HA -0.02 -0.05 0.49 -0.75 4.58 4.25 2fh5B1 CYS 71 HB2 -0.01 0.05 0.09 -0.04 2.97 3.07 2fh5B1 CYS 71 HB3 0.01 0.03 0.01 -0.04 2.97 2.98 2fh5B1 ASP 72 H -0.01 0.06 0.17 -0.55 8.40 8.08 2fh5B1 ASP 72 HA 0.00 -0.03 0.31 -0.75 4.63 4.16 2fh5B1 ASP 72 HB2 0.02 0.32 -0.10 -0.04 2.71 2.91 2fh5B1 ASP 72 HB3 0.02 0.00 0.14 -0.04 2.70 2.82 2fh5B1 SER 73 H -0.00 0.38 -0.36 -0.55 8.46 7.92 2fh5B1 SER 73 HA 0.03 0.07 0.44 -0.75 4.49 4.28 2fh5B1 SER 73 HB2 0.00 -0.07 -0.43 -0.04 3.95 3.41 2fh5B1 SER 73 HB3 0.02 -0.00 -0.07 -0.04 3.93 3.83 2fh5B1 GLY 74 H -0.00 -0.08 -0.21 -0.55 8.43 7.59 2fh5B1 GLY 74 HA2 0.01 0.01 0.13 -0.51 4.01 3.65 2fh5B1 GLY 74 HA3 0.02 0.23 0.73 -0.51 4.01 4.48 2fh5B1 LYS 75 H -0.02 0.04 -0.02 -0.55 8.42 7.87 2fh5B1 LYS 75 HA 0.03 0.14 0.23 -0.75 4.32 3.96 2fh5B1 LYS 75 HB2 -0.06 -0.07 0.01 -0.04 1.87 1.72 2fh5B1 LYS 75 HB3 -0.03 0.12 -0.09 -0.04 1.79 1.75 2fh5B1 LYS 75 HG2 0.03 0.06 -0.22 -0.04 1.46 1.30 2fh5B1 LYS 75 HG3 -0.03 -0.17 -0.16 -0.04 1.46 1.07 2fh5B1 LYS 75 HD2 -0.01 0.27 -0.34 -0.04 1.69 1.57 2fh5B1 LYS 75 HD3 -0.07 -0.10 -0.60 -0.04 1.68 0.87 2fh5B1 LYS 75 HE2 -0.05 -0.12 -0.06 -0.04 2.99 2.72 2fh5B1 LYS 75 HE3 -0.04 0.25 -0.05 -0.04 2.99 3.11 2fh5B1 THR 76 H -0.06 0.01 -0.13 -0.55 8.28 7.55 2fh5B1 THR 76 HA -0.13 0.18 0.36 -0.75 4.39 4.05 2fh5B1 THR 76 HB -0.06 -0.06 -0.01 -0.04 4.32 4.15 2fh5B1 THR 76 HG23 -0.04 0.04 -0.11 -0.04 1.22 1.07 2fh5B1 LEU 77 H -0.03 -0.02 -0.33 -0.55 8.37 7.44 2fh5B1 LEU 77 HA -0.05 0.16 0.40 -0.75 4.35 4.11 2fh5B1 LEU 77 HB2 -0.02 -0.02 0.03 -0.04 1.64 1.59 2fh5B1 LEU 77 HB3 0.01 -0.02 0.02 -0.04 1.64 1.61 2fh5B1 LEU 77 HG 0.03 0.04 -0.11 -0.04 1.64 1.56 2fh5B1 LEU 77 HD13 -0.13 0.04 0.11 -0.04 0.93 0.90 2fh5B1 LEU 77 HD23 0.16 -0.01 -0.11 -0.04 0.89 0.89 2fh5B1 LEU 78 H -0.02 0.50 -0.19 -0.55 8.37 8.11 2fh5B1 LEU 78 HA -0.01 -0.00 0.33 -0.75 4.35 3.91 2fh5B1 LEU 78 HB2 -0.04 0.12 0.06 -0.04 1.64 1.74 2fh5B1 LEU 78 HB3 0.00 0.03 -0.14 -0.04 1.64 1.49 2fh5B1 LEU 78 HG 0.03 0.03 -0.04 -0.04 1.64 1.61 2fh5B1 LEU 78 HD13 0.11 -0.01 -0.17 -0.04 0.93 0.81 2fh5B1 LEU 78 HD23 0.03 -0.03 -0.15 -0.04 0.89 0.70 2fh5B1 PHE 79 H -0.07 0.45 -0.23 -0.55 8.34 7.94 2fh5B1 PHE 79 HA -0.48 0.03 0.31 -0.75 4.62 3.72 2fh5B1 PHE 79 HB2 -0.48 0.02 0.06 -0.04 3.15 2.70 2fh5B1 PHE 79 HB3 -0.23 0.14 0.15 -0.04 3.06 3.08 2fh5B1 PHE 79 HD2 -0.29 0.00 -0.14 -0.04 7.28 6.81 2fh5B1 PHE 79 HE2 -0.10 0.07 -0.22 -0.04 7.38 7.09 2fh5B1 PHE 79 HZ -0.07 -0.01 -0.47 -0.04 7.32 6.73 2fh5B1 VAL 80 H 0.02 0.43 -0.27 -0.55 8.24 7.88 2fh5B1 VAL 80 HA -0.17 0.04 0.35 -0.75 4.13 3.59 2fh5B1 VAL 80 HB -0.06 0.07 0.15 -0.04 2.12 2.23 2fh5B1 VAL 80 HG13 -0.08 0.02 -0.27 -0.04 0.97 0.60 2fh5B1 VAL 80 HG23 0.01 0.04 -0.05 -0.04 0.95 0.92 2fh5B1 ARG 81 H -0.05 0.62 -0.00 -0.55 8.46 8.47 2fh5B1 ARG 81 HA -0.02 0.06 0.40 -0.75 4.34 4.03 2fh5B1 ARG 81 HB2 -0.00 0.11 0.16 -0.04 1.90 2.12 2fh5B1 ARG 81 HB3 -0.01 0.00 0.02 -0.04 1.80 1.77 2fh5B1 ARG 81 HG2 0.02 -0.15 -0.05 -0.04 1.67 1.46 2fh5B1 ARG 81 HG3 0.02 -0.03 -0.00 -0.04 1.67 1.61 2fh5B1 ARG 81 HD2 0.04 0.13 -0.02 -0.04 3.22 3.32 2fh5B1 ARG 81 HD3 0.05 0.23 0.05 -0.04 3.22 3.51 2fh5B1 LEU 82 H -0.12 0.53 -0.32 -0.55 8.37 7.91 2fh5B1 LEU 82 HA 0.01 0.01 0.45 -0.75 4.35 4.07 2fh5B1 LEU 82 HB2 -0.26 0.13 0.06 -0.04 1.64 1.52 2fh5B1 LEU 82 HB3 -0.40 -0.00 -0.08 -0.04 1.64 1.12 2fh5B1 LEU 82 HG -0.07 -0.00 -0.07 -0.04 1.64 1.45 2fh5B1 LEU 82 HD13 -0.11 -0.03 -0.18 -0.04 0.93 0.57 2fh5B1 LEU 82 HD23 -0.10 -0.02 -0.09 -0.04 0.89 0.64 2fh5B1 LEU 83 H -0.18 0.32 -0.19 -0.55 8.37 7.77 2fh5B1 LEU 83 HA 0.02 0.15 0.69 -0.75 4.35 4.46 2fh5B1 LEU 83 HB2 -0.29 0.03 0.11 -0.04 1.64 1.45 2fh5B1 LEU 83 HB3 -0.18 -0.04 0.04 -0.04 1.64 1.43 2fh5B1 LEU 83 HG -0.48 0.02 -0.04 -0.04 1.64 1.10 2fh5B1 LEU 83 HD13 -1.10 -0.03 -0.15 -0.04 0.93 -0.39 2fh5B1 LEU 83 HD23 -0.09 -0.01 -0.15 -0.04 0.89 0.60 2fh5B1 THR 84 H -0.05 0.22 -0.01 -0.55 8.28 7.89 2fh5B1 THR 84 HA -0.02 0.26 1.02 -0.75 4.39 4.89 2fh5B1 THR 84 HB -0.03 -0.01 0.06 -0.04 4.32 4.31 2fh5B1 THR 84 HG23 -0.07 0.02 -0.17 -0.04 1.22 0.97 2fh5B1 GLY 85 H -0.01 0.23 0.09 -0.55 8.43 8.20 2fh5B1 GLY 85 HA2 0.02 0.10 0.42 -0.51 4.01 4.04 2fh5B1 GLY 85 HA3 0.01 0.07 0.47 -0.51 4.01 4.05 2fh5B1 GLN 86 H -0.01 0.00 -0.49 -0.55 8.47 7.43 2fh5B1 GLN 86 HA 0.05 0.24 1.00 -0.75 4.36 4.89 2fh5B1 GLN 86 HB2 0.00 -0.03 -0.10 -0.04 2.15 1.98 2fh5B1 GLN 86 HB3 0.04 0.02 0.11 -0.04 2.02 2.14 2fh5B1 GLN 86 HG2 0.03 -0.03 -0.03 -0.04 2.40 2.33 2fh5B1 GLN 86 HG3 0.01 0.10 -0.33 -0.04 2.39 2.13 2fh5B1 GLN 86 HE21 -0.00 -0.06 0.01 -0.04 6.97 6.88 2fh5B1 GLN 86 HE22 0.00 0.19 0.02 -0.04 7.69 7.86 2fh5B1 TYR 87 H 0.14 0.16 0.15 -0.55 8.29 8.20 2fh5B1 TYR 87 HA -0.00 0.13 0.73 -0.75 4.56 4.67 2fh5B1 TYR 87 HB2 -0.00 0.04 0.02 -0.04 3.06 3.09 2fh5B1 TYR 87 HB3 -0.00 0.01 0.06 -0.04 2.98 3.01 2fh5B1 TYR 87 HD2 -0.00 0.02 -0.16 -0.04 7.15 6.97 2fh5B1 TYR 87 HE2 0.00 -0.05 -0.12 -0.04 6.85 6.64 2fh5B1 ARG 88 H -1.07 0.26 0.12 -0.55 8.46 7.22 2fh5B1 ARG 88 HA -0.26 0.09 0.50 -0.75 4.34 3.92 2fh5B1 ARG 88 HB2 -0.21 -0.07 -0.11 -0.04 1.90 1.47 2fh5B1 ARG 88 HB3 -0.15 0.09 -0.02 -0.04 1.80 1.68 2fh5B1 ARG 88 HG2 -0.10 0.15 -0.63 -0.04 1.67 1.05 2fh5B1 ARG 88 HG3 -0.08 -0.02 -0.18 -0.04 1.67 1.34 2fh5B1 ARG 88 HD2 -0.06 -0.03 0.02 -0.04 3.22 3.11 2fh5B1 ARG 88 HD3 -0.04 0.04 0.10 -0.04 3.22 3.28 2fh5B1 ASP 89 H -0.15 0.14 0.10 -0.55 8.40 7.94 2fh5B1 ASP 89 HA -0.12 0.03 0.55 -0.75 4.63 4.33 2fh5B1 ASP 89 HB2 -0.02 0.01 0.08 -0.04 2.71 2.75 2fh5B1 ASP 89 HB3 0.00 0.05 -0.01 -0.04 2.70 2.69 2fh5B1 THR 90 H -0.04 0.19 0.20 -0.55 8.28 8.09 2fh5B1 THR 90 HA -0.05 0.22 0.79 -0.75 4.39 4.59 2fh5B1 THR 90 HB -0.05 0.02 0.00 -0.04 4.32 4.26 2fh5B1 THR 90 HG23 -0.10 0.04 -0.35 -0.04 1.22 0.77 2fh5B1 GLN 91 H -0.03 0.28 0.14 -0.55 8.47 8.31 2fh5B1 GLN 91 HA -0.01 0.15 0.78 -0.75 4.36 4.52 2fh5B1 GLN 91 HB2 -0.02 0.06 -0.04 -0.04 2.15 2.10 2fh5B1 GLN 91 HB3 -0.02 -0.01 0.09 -0.04 2.02 2.05 2fh5B1 GLN 91 HG2 -0.02 -0.07 -0.39 -0.04 2.40 1.88 2fh5B1 GLN 91 HG3 -0.02 0.05 -0.08 -0.04 2.39 2.30 2fh5B1 GLN 91 HE21 0.00 -0.00 -0.03 -0.04 6.97 6.90 2fh5B1 GLN 91 HE22 -0.00 -0.00 -0.11 -0.04 7.69 7.53 2fh5B1 THR 92 H -0.02 0.14 0.11 -0.55 8.28 7.97 2fh5B1 THR 92 HA -0.02 -0.11 0.46 -0.75 4.39 3.96 2fh5B1 THR 92 HB -0.04 0.06 0.10 -0.04 4.32 4.40 2fh5B1 THR 92 HG23 -0.02 0.02 -0.05 -0.04 1.22 1.13 2fh5B1 SER 93 H -0.04 -0.06 0.24 -0.55 8.46 8.06 2fh5B1 SER 93 HA -0.05 0.14 0.57 -0.75 4.49 4.40 2fh5B1 SER 93 HB2 -0.06 -0.19 0.13 -0.04 3.95 3.79 2fh5B1 SER 93 HB3 -0.07 0.25 0.03 -0.04 3.93 4.09 2fh5B1 ILE 94 H -0.04 0.14 0.21 -0.55 8.25 8.01 2fh5B1 ILE 94 HA -0.04 0.17 1.05 -0.75 4.18 4.60 2fh5B1 ILE 94 HB -0.05 0.01 0.12 -0.04 1.89 1.93 2fh5B1 ILE 94 HG12 -0.03 -0.03 0.05 -0.04 1.49 1.43 2fh5B1 ILE 94 HG13 -0.03 0.05 -0.20 -0.04 1.21 0.99 2fh5B1 ILE 94 HG23 -0.06 0.02 -0.15 -0.04 0.93 0.70 2fh5B1 ILE 94 HD13 -0.03 0.01 -0.02 -0.04 0.88 0.79 2fh5B1 THR 95 H -0.04 0.11 0.17 -0.55 8.28 7.97 2fh5B1 THR 95 HA 0.00 0.19 0.66 -0.75 4.39 4.48 2fh5B1 THR 95 HB 0.02 0.01 0.18 -0.04 4.32 4.49 2fh5B1 THR 95 HG23 0.00 -0.00 -0.04 -0.04 1.22 1.14 2fh5B1 ASP 96 H 0.03 0.12 0.15 -0.55 8.40 8.15 2fh5B1 ASP 96 HA -0.10 0.26 0.70 -0.75 4.63 4.74 2fh5B1 ASP 96 HB2 -0.18 0.07 0.01 -0.04 2.71 2.57 2fh5B1 ASP 96 HB3 0.04 -0.03 0.08 -0.04 2.70 2.75 2fh5B1 SER 97 H -0.26 0.44 0.35 -0.55 8.46 8.44 2fh5B1 SER 97 HA -0.06 0.15 0.69 -0.75 4.49 4.52 2fh5B1 SER 97 HB2 -0.02 0.05 0.06 -0.04 3.95 4.00 2fh5B1 SER 97 HB3 -0.09 0.05 -0.02 -0.04 3.93 3.83 2fh5B1 SER 98 H 0.05 0.27 0.21 -0.55 8.46 8.44 2fh5B1 SER 98 HA 0.17 0.33 1.00 -0.75 4.49 5.23 2fh5B1 SER 98 HB2 0.02 0.09 0.03 -0.04 3.95 4.05 2fh5B1 SER 98 HB3 -0.09 -0.04 -0.18 -0.04 3.93 3.57 2fh5B1 ALA 99 H 0.16 0.63 0.31 -0.55 8.40 8.96 2fh5B1 ALA 99 HA 0.05 0.04 0.51 -0.75 4.34 4.19 2fh5B1 ALA 99 HB3 -0.07 0.04 -0.04 -0.04 1.41 1.30 2fh5B1 ILE 100 H 0.01 0.12 0.17 -0.55 8.25 8.01 2fh5B1 ILE 100 HA 0.06 0.24 0.79 -0.75 4.18 4.51 2fh5B1 ILE 100 HB 0.01 -0.04 0.15 -0.04 1.89 1.97 2fh5B1 ILE 100 HG12 0.03 0.09 -0.06 -0.04 1.49 1.50 2fh5B1 ILE 100 HG13 0.03 -0.11 -0.03 -0.04 1.21 1.06 2fh5B1 ILE 100 HG23 0.01 0.01 -0.20 -0.04 0.93 0.71 2fh5B1 ILE 100 HD13 0.01 0.00 -0.02 -0.04 0.88 0.84 2fh5B1 TYR 101 H 0.14 0.77 0.41 -0.55 8.29 9.05 2fh5B1 TYR 101 HA -0.04 0.19 0.96 -0.75 4.56 4.91 2fh5B1 TYR 101 HB2 -0.02 -0.02 -0.09 -0.04 3.06 2.88 2fh5B1 TYR 101 HB3 0.03 -0.05 0.11 -0.04 2.98 3.03 2fh5B1 TYR 101 HD2 -0.01 0.01 -0.15 -0.04 7.15 6.96 2fh5B1 TYR 101 HE2 0.02 0.08 -0.06 -0.04 6.85 6.85 2fh5B1 LYS 102 H -0.27 0.19 0.11 -0.55 8.42 7.90 2fh5B1 LYS 102 HA -0.16 0.22 0.76 -0.75 4.32 4.39 2fh5B1 LYS 102 HB2 -0.19 -0.05 0.17 -0.04 1.87 1.75 2fh5B1 LYS 102 HB3 -0.14 0.13 0.03 -0.04 1.79 1.77 2fh5B1 LYS 102 HG2 -0.08 -0.07 -0.02 -0.04 1.46 1.24 2fh5B1 LYS 102 HG3 -0.07 -0.02 0.02 -0.04 1.46 1.34 2fh5B1 LYS 102 HD2 -0.06 0.18 -0.01 -0.04 1.69 1.76 2fh5B1 LYS 102 HD3 -0.06 -0.02 -0.12 -0.04 1.68 1.44 2fh5B1 LYS 102 HE2 -0.03 -0.06 -0.07 -0.04 2.99 2.79 2fh5B1 LYS 102 HE3 -0.03 -0.02 -0.02 -0.04 2.99 2.88 2fh5B1 VAL 103 H -0.16 0.76 0.19 -0.55 8.24 8.47 2fh5B1 VAL 103 HA -0.30 -0.00 0.35 -0.75 4.13 3.42 2fh5B1 VAL 103 HB -0.06 -0.00 0.07 -0.04 2.12 2.09 2fh5B1 VAL 103 HG13 -0.00 -0.15 0.01 -0.04 0.97 0.79 2fh5B1 VAL 103 HG23 0.07 0.04 -0.11 -0.04 0.95 0.90 2fh5B1 ASN 104 H -0.02 0.09 0.14 -0.55 8.53 8.20 2fh5B1 ASN 104 HA -0.06 0.20 0.46 -0.75 4.76 4.60 2fh5B1 ASN 104 HB2 0.04 -0.01 0.09 -0.04 2.88 2.95 2fh5B1 ASN 104 HB3 0.01 -0.03 0.03 -0.04 2.79 2.76 2fh5B1 ASN 104 HD21 0.03 -0.00 -0.00 -0.04 7.03 7.01 2fh5B1 ASN 104 HD22 0.02 -0.03 0.01 -0.04 7.74 7.69 2fh5B1 ASN 105 H -0.03 -0.01 -0.29 -0.55 8.53 7.66 2fh5B1 ASN 105 HA -0.01 0.16 0.59 -0.75 4.76 4.74 2fh5B1 ASN 105 HB2 -0.02 -0.07 0.11 -0.04 2.88 2.87 2fh5B1 ASN 105 HB3 -0.01 0.04 0.03 -0.04 2.79 2.80 2fh5B1 ASN 105 HD21 -0.03 0.07 0.01 -0.04 7.03 7.04 2fh5B1 ASN 105 HD22 -0.03 0.06 -0.06 -0.04 7.74 7.68 2fh5B1 ASN 106 H -0.02 0.11 0.13 -0.55 8.53 8.21 2fh5B1 ASN 106 HA -0.02 0.12 0.36 -0.75 4.76 4.47 2fh5B1 ASN 106 HB2 -0.01 -0.08 0.13 -0.04 2.88 2.88 2fh5B1 ASN 106 HB3 -0.01 0.05 0.02 -0.04 2.79 2.81 2fh5B1 ASN 106 HD21 -0.01 0.02 0.06 -0.04 7.03 7.06 2fh5B1 ASN 106 HD22 -0.01 -0.01 0.08 -0.04 7.74 7.76 2fh5B1 ARG 107 H -0.02 0.04 -0.09 -0.55 8.46 7.83 2fh5B1 ARG 107 HA -0.02 0.08 0.38 -0.75 4.34 4.03 2fh5B1 ARG 107 HB2 -0.02 -0.06 -0.01 -0.04 1.90 1.77 2fh5B1 ARG 107 HB3 -0.02 0.05 -0.00 -0.04 1.80 1.78 2fh5B1 ARG 107 HG2 -0.02 0.03 0.02 -0.04 1.67 1.66 2fh5B1 ARG 107 HG3 -0.02 -0.08 0.03 -0.04 1.67 1.57 2fh5B1 ARG 107 HD2 -0.02 0.02 -0.00 -0.04 3.22 3.17 2fh5B1 ARG 107 HD3 -0.02 0.03 -0.00 -0.04 3.22 3.19 2fh5B1 GLY 108 H -0.03 0.11 -0.68 -0.55 8.43 7.28 2fh5B1 GLY 108 HA2 -0.06 0.20 0.24 -0.51 4.01 3.87 2fh5B1 GLY 108 HA3 -0.05 0.04 0.31 -0.51 4.01 3.81 2fh5B1 ASN 109 H -0.04 -0.08 -0.14 -0.55 8.53 7.73 2fh5B1 ASN 109 HA -0.02 0.10 0.33 -0.75 4.76 4.42 2fh5B1 ASN 109 HB2 -0.02 -0.05 -0.02 -0.04 2.88 2.75 2fh5B1 ASN 109 HB3 -0.02 0.08 0.09 -0.04 2.79 2.90 2fh5B1 ASN 109 HD21 -0.02 -0.02 -0.02 -0.04 7.03 6.93 2fh5B1 ASN 109 HD22 -0.02 0.05 0.02 -0.04 7.74 7.75 2fh5B1 SER 110 H -0.01 0.17 0.21 -0.55 8.46 8.28 2fh5B1 SER 110 HA -0.02 0.33 1.16 -0.75 4.49 5.21 2fh5B1 SER 110 HB2 0.00 -0.03 -0.01 -0.04 3.95 3.87 2fh5B1 SER 110 HB3 -0.02 0.02 -0.01 -0.04 3.93 3.89 2fh5B1 LEU 111 H 0.09 0.56 0.36 -0.55 8.37 8.84 2fh5B1 LEU 111 HA 0.06 0.41 0.91 -0.75 4.35 4.97 2fh5B1 LEU 111 HB2 0.22 -0.10 0.05 -0.04 1.64 1.77 2fh5B1 LEU 111 HB3 0.11 0.02 0.01 -0.04 1.64 1.74 2fh5B1 LEU 111 HG 0.07 -0.09 -0.29 -0.04 1.64 1.29 2fh5B1 LEU 111 HD13 0.11 0.00 -0.14 -0.04 0.93 0.87 2fh5B1 LEU 111 HD23 0.01 0.04 -0.07 -0.04 0.89 0.83 2fh5B1 THR 112 H 0.07 0.62 0.08 -0.55 8.28 8.51 2fh5B1 THR 112 HA 0.08 0.17 1.00 -0.75 4.39 4.89 2fh5B1 THR 112 HB 0.05 -0.02 0.01 -0.04 4.32 4.33 2fh5B1 THR 112 HG23 0.04 -0.02 -0.23 -0.04 1.22 0.97 2fh5B1 LEU 113 H 0.13 0.45 0.20 -0.55 8.37 8.60 2fh5B1 LEU 113 HA 0.25 0.12 0.67 -0.75 4.35 4.64 2fh5B1 LEU 113 HB2 0.19 -0.03 0.08 -0.04 1.64 1.84 2fh5B1 LEU 113 HB3 0.25 -0.06 0.00 -0.04 1.64 1.80 2fh5B1 LEU 113 HG 0.08 0.09 -0.03 -0.04 1.64 1.73 2fh5B1 LEU 113 HD13 -0.34 -0.01 -0.11 -0.04 0.93 0.43 2fh5B1 LEU 113 HD23 0.14 -0.01 -0.14 -0.04 0.89 0.83 2fh5B1 ILE 114 H 0.21 0.66 0.37 -0.55 8.25 8.94 2fh5B1 ILE 114 HA -0.09 0.25 1.02 -0.75 4.18 4.61 2fh5B1 ILE 114 HB -0.11 -0.01 0.11 -0.04 1.89 1.83 2fh5B1 ILE 114 HG12 -0.17 -0.01 -0.13 -0.04 1.49 1.13 2fh5B1 ILE 114 HG13 -0.04 0.11 -0.40 -0.04 1.21 0.84 2fh5B1 ILE 114 HG23 -0.57 -0.02 -0.22 -0.04 0.93 0.08 2fh5B1 ILE 114 HD13 -0.39 -0.00 -0.10 -0.04 0.88 0.34 2fh5B1 ASP 115 H -0.47 0.72 0.29 -0.55 8.40 8.40 2fh5B1 ASP 115 HA -0.17 0.04 0.74 -0.75 4.63 4.49 2fh5B1 ASP 115 HB2 -1.22 0.01 -0.01 -0.04 2.71 1.45 2fh5B1 ASP 115 HB3 -0.96 0.03 0.19 -0.04 2.70 1.92 2fh5B1 LEU 116 H -0.04 0.58 0.31 -0.55 8.37 8.68 2fh5B1 LEU 116 HA -0.06 0.16 0.89 -0.75 4.35 4.58 2fh5B1 LEU 116 HB2 0.02 0.05 0.12 -0.04 1.64 1.79 2fh5B1 LEU 116 HB3 0.03 0.04 -0.06 -0.04 1.64 1.61 2fh5B1 LEU 116 HG -0.02 0.03 -0.15 -0.04 1.64 1.46 2fh5B1 LEU 116 HD13 0.13 -0.01 -0.20 -0.04 0.93 0.81 2fh5B1 LEU 116 HD23 -0.04 0.00 -0.20 -0.04 0.89 0.61 2fh5B1 PRO 117 HA -0.05 -0.11 0.36 -0.51 4.44 4.13 2fh5B1 PRO 117 HB2 -0.02 -0.01 -0.16 -0.04 2.28 2.05 2fh5B1 PRO 117 HB3 -0.02 0.19 -0.10 -0.04 2.02 2.04 2fh5B1 PRO 117 HG2 -0.01 0.07 -0.39 -0.04 2.03 1.66 2fh5B1 PRO 117 HG3 -0.04 0.17 -0.40 -0.04 2.03 1.72 2fh5B1 PRO 117 HD2 0.01 0.13 -0.01 -0.04 3.68 3.76 2fh5B1 PRO 117 HD3 -0.03 0.19 -0.00 -0.04 3.65 3.76 2fh5B1 GLY 118 H -0.04 -0.03 0.18 -0.55 8.43 7.99 2fh5B1 GLY 118 HA2 -0.14 0.24 0.63 -0.51 4.01 4.23 2fh5B1 GLY 118 HA3 -0.08 0.02 0.25 -0.51 4.01 3.68 2fh5B1 HIS 119 H 0.03 0.08 -0.13 -0.55 8.41 7.84 2fh5B1 HIS 119 HA -0.10 0.01 0.43 -0.75 4.63 4.21 2fh5B1 HIS 119 HB2 -0.07 0.06 0.13 -0.04 3.26 3.35 2fh5B1 HIS 119 HB3 -0.07 0.02 0.02 -0.04 3.20 3.12 2fh5B1 HIS 119 HD2 -0.04 -0.02 0.06 -0.04 6.97 6.93 2fh5B1 HIS 119 HE1 -0.03 0.09 0.03 -0.04 7.75 7.80 2fh5B1 GLU 120 H -0.66 0.14 0.24 -0.55 8.60 7.77 2fh5B1 GLU 120 HA -0.34 0.11 0.46 -0.75 4.29 3.77 2fh5B1 GLU 120 HB2 -0.15 0.08 -0.01 -0.04 2.09 1.97 2fh5B1 GLU 120 HB3 -0.19 0.06 0.16 -0.04 1.99 1.97 2fh5B1 GLU 120 HG2 -0.81 -0.14 0.17 -0.04 2.34 1.52 2fh5B1 GLU 120 HG3 -0.24 0.09 0.08 -0.04 2.34 2.22 2fh5B1 SER 121 H -0.08 0.05 -0.20 -0.55 8.46 7.69 2fh5B1 SER 121 HA 0.03 0.14 0.40 -0.75 4.49 4.30 2fh5B1 SER 121 HB2 0.08 0.07 0.12 -0.04 3.95 4.17 2fh5B1 SER 121 HB3 0.17 -0.03 0.08 -0.04 3.93 4.10 2fh5B1 LEU 122 H -0.04 0.36 -0.54 -0.55 8.37 7.61 2fh5B1 LEU 122 HA 0.01 0.22 0.97 -0.75 4.35 4.79 2fh5B1 LEU 122 HB2 -0.00 0.01 -0.13 -0.04 1.64 1.48 2fh5B1 LEU 122 HB3 0.00 -0.00 -0.02 -0.04 1.64 1.58 2fh5B1 LEU 122 HG 0.05 -0.13 -0.30 -0.04 1.64 1.21 2fh5B1 LEU 122 HD13 -0.00 -0.01 -0.05 -0.04 0.93 0.83 2fh5B1 LEU 122 HD23 0.01 0.04 -0.01 -0.04 0.89 0.89 2fh5B1 ARG 123 H -0.24 0.38 0.03 -0.55 8.46 8.08 2fh5B1 ARG 123 HA -0.17 0.19 0.29 -0.75 4.34 3.90 2fh5B1 ARG 123 HB2 -0.77 -0.03 -0.01 -0.04 1.90 1.05 2fh5B1 ARG 123 HB3 -0.55 0.11 -0.10 -0.04 1.80 1.21 2fh5B1 ARG 123 HG2 -0.74 0.08 0.13 -0.04 1.67 1.11 2fh5B1 ARG 123 HG3 -2.07 -0.03 -0.02 -0.04 1.67 -0.48 2fh5B1 ARG 123 HD2 -1.13 -0.00 0.01 -0.04 3.22 2.06 2fh5B1 ARG 123 HD3 -2.47 -0.02 -0.05 -0.04 3.22 0.64 2fh5B1 PHE 124 H -0.30 0.17 -0.12 -0.55 8.34 7.54 2fh5B1 PHE 124 HA 0.10 0.12 0.52 -0.75 4.62 4.61 2fh5B1 PHE 124 HB2 0.02 0.02 0.02 -0.04 3.15 3.17 2fh5B1 PHE 124 HB3 0.06 0.06 -0.01 -0.04 3.06 3.13 2fh5B1 PHE 124 HD2 0.08 0.04 -0.02 -0.04 7.28 7.35 2fh5B1 PHE 124 HE2 0.21 0.02 -0.01 -0.04 7.38 7.56 2fh5B1 PHE 124 HZ 0.13 0.01 -0.00 -0.04 7.32 7.41 2fh5B1 GLN 125 H 0.11 0.10 -0.22 -0.55 8.47 7.91 2fh5B1 GLN 125 HA 0.08 0.08 0.38 -0.75 4.36 4.14 2fh5B1 GLN 125 HB2 0.06 0.01 0.09 -0.04 2.15 2.27 2fh5B1 GLN 125 HB3 0.04 0.06 0.09 -0.04 2.02 2.17 2fh5B1 GLN 125 HG2 0.02 -0.00 -0.03 -0.04 2.40 2.35 2fh5B1 GLN 125 HG3 0.03 0.00 0.03 -0.04 2.39 2.41 2fh5B1 GLN 125 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 2fh5B1 GLN 125 HE22 -0.01 -0.00 -0.08 -0.04 7.69 7.56 2fh5B1 LEU 126 H 0.05 0.48 -0.27 -0.55 8.37 8.08 2fh5B1 LEU 126 HA 0.05 0.08 0.55 -0.75 4.35 4.27 2fh5B1 LEU 126 HB2 0.08 0.18 0.05 -0.04 1.64 1.90 2fh5B1 LEU 126 HB3 0.22 -0.04 -0.05 -0.04 1.64 1.74 2fh5B1 LEU 126 HG 0.06 -0.02 -0.03 -0.04 1.64 1.60 2fh5B1 LEU 126 HD13 0.06 -0.00 -0.04 -0.04 0.93 0.90 2fh5B1 LEU 126 HD23 0.19 -0.00 0.01 -0.04 0.89 1.05 2fh5B1 LEU 127 H 0.12 0.40 -0.10 -0.55 8.37 8.25 2fh5B1 LEU 127 HA 0.19 0.03 0.46 -0.75 4.35 4.28 2fh5B1 LEU 127 HB2 0.20 0.03 0.09 -0.04 1.64 1.91 2fh5B1 LEU 127 HB3 0.25 -0.00 0.14 -0.04 1.64 1.98 2fh5B1 LEU 127 HG 0.17 0.03 -0.22 -0.04 1.64 1.58 2fh5B1 LEU 127 HD13 0.13 -0.01 -0.04 -0.04 0.93 0.97 2fh5B1 LEU 127 HD23 0.28 -0.01 -0.10 -0.04 0.89 1.02 2fh5B1 ASP 128 H 0.13 0.66 -0.13 -0.55 8.40 8.52 2fh5B1 ASP 128 HA 0.08 0.02 0.35 -0.75 4.63 4.32 2fh5B1 ASP 128 HB2 0.05 0.16 0.13 -0.04 2.71 3.01 2fh5B1 ASP 128 HB3 0.03 -0.04 -0.03 -0.04 2.70 2.63 2fh5B1 ARG 129 H -0.01 0.29 -0.28 -0.55 8.46 7.90 2fh5B1 ARG 129 HA -0.13 0.04 0.40 -0.75 4.34 3.89 2fh5B1 ARG 129 HB2 -0.17 0.03 0.12 -0.04 1.90 1.84 2fh5B1 ARG 129 HB3 -0.37 0.05 0.12 -0.04 1.80 1.56 2fh5B1 ARG 129 HG2 -0.76 0.02 -0.14 -0.04 1.67 0.75 2fh5B1 ARG 129 HG3 -0.29 -0.03 0.05 -0.04 1.67 1.36 2fh5B1 ARG 129 HD2 -0.79 -0.01 -0.04 -0.04 3.22 2.33 2fh5B1 ARG 129 HD3 -0.46 -0.02 -0.04 -0.04 3.22 2.65 2fh5B1 PHE 130 H 0.09 0.37 -0.27 -0.55 8.34 7.98 2fh5B1 PHE 130 HA 0.03 0.20 0.95 -0.75 4.62 5.05 2fh5B1 PHE 130 HB2 0.04 0.07 0.01 -0.04 3.15 3.24 2fh5B1 PHE 130 HB3 0.04 -0.05 0.01 -0.04 3.06 3.02 2fh5B1 PHE 130 HD2 0.03 0.10 -0.03 -0.04 7.28 7.34 2fh5B1 PHE 130 HE2 0.02 -0.05 -0.06 -0.04 7.38 7.25 2fh5B1 PHE 130 HZ 0.01 -0.04 -0.07 -0.04 7.32 7.18 2fh5B1 LYS 131 H 0.11 0.52 -0.07 -0.55 8.42 8.43 2fh5B1 LYS 131 HA 0.11 -0.00 0.33 -0.75 4.32 4.01 2fh5B1 LYS 131 HB2 0.07 0.03 -0.05 -0.04 1.87 1.88 2fh5B1 LYS 131 HB3 0.10 0.02 0.04 -0.04 1.79 1.91 2fh5B1 LYS 131 HG2 0.06 0.22 0.15 -0.04 1.46 1.85 2fh5B1 LYS 131 HG3 0.05 -0.05 -0.02 -0.04 1.46 1.40 2fh5B1 LYS 131 HD2 0.05 0.08 -0.11 -0.04 1.69 1.67 2fh5B1 LYS 131 HD3 0.08 -0.09 -0.12 -0.04 1.68 1.51 2fh5B1 LYS 131 HE2 0.04 0.02 0.07 -0.04 2.99 3.08 2fh5B1 LYS 131 HE3 0.03 0.01 -0.02 -0.04 2.99 2.97 2fh5B1 SER 132 H 0.05 0.18 -0.19 -0.55 8.46 7.96 2fh5B1 SER 132 HA 0.04 0.12 0.36 -0.75 4.49 4.26 2fh5B1 SER 132 HB2 0.03 -0.02 0.10 -0.04 3.95 4.03 2fh5B1 SER 132 HB3 0.03 -0.00 0.08 -0.04 3.93 3.99 2fh5B1 SER 133 H 0.10 0.32 -0.54 -0.55 8.46 7.80 2fh5B1 SER 133 HA 0.06 0.12 0.69 -0.75 4.49 4.61 2fh5B1 SER 133 HB2 0.17 0.09 0.03 -0.04 3.95 4.20 2fh5B1 SER 133 HB3 0.10 -0.09 0.15 -0.04 3.93 4.05 2fh5B1 ALA 134 H 0.07 0.52 -0.19 -0.55 8.40 8.26 2fh5B1 ALA 134 HA 0.06 0.06 0.80 -0.75 4.34 4.51 2fh5B1 ALA 134 HB3 0.06 0.01 0.03 -0.04 1.41 1.47 2fh5B1 ARG 135 H 0.03 0.73 0.44 -0.55 8.46 9.11 2fh5B1 ARG 135 HA 0.01 0.14 0.69 -0.75 4.34 4.41 2fh5B1 ARG 135 HB2 0.00 -0.03 0.07 -0.04 1.90 1.90 2fh5B1 ARG 135 HB3 -0.00 0.05 -0.01 -0.04 1.80 1.80 2fh5B1 ARG 135 HG2 -0.07 -0.05 -0.14 -0.04 1.67 1.37 2fh5B1 ARG 135 HG3 -0.04 -0.02 0.11 -0.04 1.67 1.68 2fh5B1 ARG 135 HD2 -0.02 0.05 -0.01 -0.04 3.22 3.20 2fh5B1 ARG 135 HD3 -0.06 -0.06 -0.10 -0.04 3.22 2.95 2fh5B1 ALA 136 H 0.03 0.34 0.31 -0.55 8.40 8.54 2fh5B1 ALA 136 HA 0.08 0.28 0.67 -0.75 4.34 4.62 2fh5B1 ALA 136 HB3 0.10 -0.01 -0.10 -0.04 1.41 1.36 2fh5B1 VAL 137 H 0.15 0.71 0.33 -0.55 8.24 8.87 2fh5B1 VAL 137 HA -0.03 0.13 1.04 -0.75 4.13 4.51 2fh5B1 VAL 137 HB 0.01 0.02 0.07 -0.04 2.12 2.18 2fh5B1 VAL 137 HG13 -0.01 -0.03 -0.21 -0.04 0.97 0.67 2fh5B1 VAL 137 HG23 0.04 0.01 -0.19 -0.04 0.95 0.77 2fh5B1 VAL 138 H -0.29 0.92 0.33 -0.55 8.24 8.65 2fh5B1 VAL 138 HA -0.38 0.14 0.94 -0.75 4.13 4.07 2fh5B1 VAL 138 HB -1.00 -0.04 0.13 -0.04 2.12 1.17 2fh5B1 VAL 138 HG13 -0.32 -0.04 -0.25 -0.04 0.97 0.32 2fh5B1 VAL 138 HG23 -0.52 0.01 -0.22 -0.04 0.95 0.18 2fh5B1 PHE 139 H -0.13 0.91 0.32 -0.55 8.34 8.88 2fh5B1 PHE 139 HA -0.16 0.20 0.84 -0.75 4.62 4.74 2fh5B1 PHE 139 HB2 -0.23 0.06 -0.01 -0.04 3.15 2.92 2fh5B1 PHE 139 HB3 -0.26 -0.04 0.19 -0.04 3.06 2.90 2fh5B1 PHE 139 HD2 -0.25 -0.01 -0.27 -0.04 7.28 6.71 2fh5B1 PHE 139 HE2 -0.61 -0.03 -0.22 -0.04 7.38 6.48 2fh5B1 PHE 139 HZ 0.01 -0.01 0.00 -0.04 7.32 7.28 2fh5B1 VAL 140 H -0.29 0.73 0.34 -0.55 8.24 8.47 2fh5B1 VAL 140 HA -0.04 0.18 0.76 -0.75 4.13 4.28 2fh5B1 VAL 140 HB -0.07 -0.08 -0.08 -0.04 2.12 1.85 2fh5B1 VAL 140 HG13 0.01 -0.04 -0.37 -0.04 0.97 0.54 2fh5B1 VAL 140 HG23 0.06 0.03 -0.14 -0.04 0.95 0.86 2fh5B1 VAL 141 H 0.02 0.60 0.34 -0.55 8.24 8.65 2fh5B1 VAL 141 HA 0.13 0.12 0.96 -0.75 4.13 4.58 2fh5B1 VAL 141 HB 0.05 -0.04 0.01 -0.04 2.12 2.09 2fh5B1 VAL 141 HG13 0.19 -0.01 -0.29 -0.04 0.97 0.82 2fh5B1 VAL 141 HG23 0.26 0.04 -0.30 -0.04 0.95 0.90 2fh5B1 ASP 142 H 0.12 0.17 0.08 -0.55 8.40 8.21 2fh5B1 ASP 142 HA 0.06 0.16 0.57 -0.75 4.63 4.67 2fh5B1 ASP 142 HB2 0.06 0.13 0.09 -0.04 2.71 2.95 2fh5B1 ASP 142 HB3 0.10 -0.04 0.15 -0.04 2.70 2.87 2fh5B1 SER 143 H 0.05 0.79 0.28 -0.55 8.46 9.04 2fh5B1 SER 143 HA 0.08 0.01 0.39 -0.75 4.49 4.21 2fh5B1 SER 143 HB2 0.02 0.08 -0.03 -0.04 3.95 3.98 2fh5B1 SER 143 HB3 0.00 0.18 0.06 -0.04 3.93 4.13 2fh5B1 ALA 144 H 0.07 0.09 -0.20 -0.55 8.40 7.81 2fh5B1 ALA 144 HA 0.07 0.23 0.42 -0.75 4.34 4.31 2fh5B1 ALA 144 HB3 0.04 0.03 -0.01 -0.04 1.41 1.43 2fh5B1 ALA 145 H 0.10 0.13 -0.21 -0.55 8.40 7.87 2fh5B1 ALA 145 HA 0.06 0.22 0.79 -0.75 4.34 4.65 2fh5B1 ALA 145 HB3 0.05 0.01 0.04 -0.04 1.41 1.48 2fh5B1 PHE 146 H 0.24 0.20 -0.45 -0.55 8.34 7.77 2fh5B1 PHE 146 HA 0.06 -0.01 0.27 -0.75 4.62 4.18 2fh5B1 PHE 146 HB2 0.06 0.09 0.09 -0.04 3.15 3.33 2fh5B1 PHE 146 HB3 0.04 0.07 0.07 -0.04 3.06 3.19 2fh5B1 PHE 146 HD2 0.07 -0.00 -0.11 -0.04 7.28 7.19 2fh5B1 PHE 146 HE2 0.08 0.02 -0.07 -0.04 7.38 7.37 2fh5B1 PHE 146 HZ 0.09 0.05 -0.07 -0.04 7.32 7.35 2fh5B1 GLN 147 H 0.11 0.20 -0.23 -0.55 8.47 8.00 2fh5B1 GLN 147 HA -0.13 0.05 0.32 -0.75 4.36 3.85 2fh5B1 GLN 147 HB2 0.02 0.01 0.03 -0.04 2.15 2.17 2fh5B1 GLN 147 HB3 -0.00 0.04 0.01 -0.04 2.02 2.03 2fh5B1 GLN 147 HG2 0.12 -0.04 0.06 -0.04 2.40 2.50 2fh5B1 GLN 147 HG3 0.06 0.07 0.04 -0.04 2.39 2.52 2fh5B1 GLN 147 HE21 0.07 -0.00 0.01 -0.04 6.97 7.00 2fh5B1 GLN 147 HE22 0.06 0.04 0.02 -0.04 7.69 7.77 2fh5B1 ARG 148 H -0.03 0.21 -0.21 -0.55 8.46 7.88 2fh5B1 ARG 148 HA -0.05 0.18 0.76 -0.75 4.34 4.48 2fh5B1 ARG 148 HB2 -0.02 -0.01 0.08 -0.04 1.90 1.92 2fh5B1 ARG 148 HB3 -0.01 0.01 0.07 -0.04 1.80 1.83 2fh5B1 ARG 148 HG2 0.00 -0.04 0.09 -0.04 1.67 1.68 2fh5B1 ARG 148 HG3 -0.00 0.10 0.08 -0.04 1.67 1.81 2fh5B1 ARG 148 HD2 0.00 0.01 0.02 -0.04 3.22 3.21 2fh5B1 ARG 148 HD3 0.01 -0.01 0.03 -0.04 3.22 3.20 2fh5B1 GLU 149 H -0.09 0.41 -0.09 -0.55 8.60 8.29 2fh5B1 GLU 149 HA -0.04 0.16 0.73 -0.75 4.29 4.39 2fh5B1 GLU 149 HB2 0.01 0.07 -0.02 -0.04 2.09 2.11 2fh5B1 GLU 149 HB3 0.03 -0.13 0.10 -0.04 1.99 1.95 2fh5B1 GLU 149 HG2 0.01 -0.01 -0.03 -0.04 2.34 2.27 2fh5B1 GLU 149 HG3 0.00 0.02 -0.07 -0.04 2.34 2.24 2fh5B1 VAL 150 H -0.33 0.45 -0.20 -0.55 8.24 7.61 2fh5B1 VAL 150 HA -0.48 -0.02 0.27 -0.75 4.13 3.14 2fh5B1 VAL 150 HB -0.17 -0.01 -0.03 -0.04 2.12 1.88 2fh5B1 VAL 150 HG13 -0.23 -0.01 -0.09 -0.04 0.97 0.59 2fh5B1 VAL 150 HG23 -0.46 0.06 0.01 -0.04 0.95 0.52 2fh5B1 LYS 151 H -0.08 0.21 -0.20 -0.55 8.42 7.80 2fh5B1 LYS 151 HA -0.01 0.08 0.49 -0.75 4.32 4.12 2fh5B1 LYS 151 HB2 -0.02 0.02 0.07 -0.04 1.87 1.90 2fh5B1 LYS 151 HB3 -0.01 0.03 0.02 -0.04 1.79 1.79 2fh5B1 LYS 151 HG2 -0.03 0.00 0.01 -0.04 1.46 1.40 2fh5B1 LYS 151 HG3 -0.05 0.01 0.03 -0.04 1.46 1.42 2fh5B1 LYS 151 HD2 -0.03 0.03 0.02 -0.04 1.69 1.66 2fh5B1 LYS 151 HD3 -0.02 0.01 0.01 -0.04 1.68 1.63 2fh5B1 LYS 151 HE2 -0.02 0.03 0.00 -0.04 2.99 2.95 2fh5B1 LYS 151 HE3 -0.03 0.01 -0.00 -0.04 2.99 2.93 2fh5B1 ASP 152 H 0.01 0.26 -0.08 -0.55 8.40 8.03 2fh5B1 ASP 152 HA 0.06 0.07 0.43 -0.75 4.63 4.44 2fh5B1 ASP 152 HB2 0.04 0.10 0.18 -0.04 2.71 2.99 2fh5B1 ASP 152 HB3 0.06 -0.05 0.04 -0.04 2.70 2.71 2fh5B1 VAL 153 H 0.09 0.51 -0.16 -0.55 8.24 8.13 2fh5B1 VAL 153 HA 0.36 -0.02 0.42 -0.75 4.13 4.13 2fh5B1 VAL 153 HB 0.20 0.15 0.10 -0.04 2.12 2.52 2fh5B1 VAL 153 HG13 0.39 -0.01 -0.18 -0.04 0.97 1.14 2fh5B1 VAL 153 HG23 0.25 0.01 -0.06 -0.04 0.95 1.11 2fh5B1 ALA 154 H 0.11 0.72 0.03 -0.55 8.40 8.72 2fh5B1 ALA 154 HA 0.07 -0.01 0.35 -0.75 4.34 4.00 2fh5B1 ALA 154 HB3 0.05 0.02 0.05 -0.04 1.41 1.49 2fh5B1 GLU 155 H 0.10 0.53 -0.25 -0.55 8.60 8.43 2fh5B1 GLU 155 HA 0.07 0.03 0.41 -0.75 4.29 4.04 2fh5B1 GLU 155 HB2 0.03 0.02 0.11 -0.04 2.09 2.22 2fh5B1 GLU 155 HB3 0.12 0.08 0.15 -0.04 1.99 2.30 2fh5B1 GLU 155 HG2 0.18 -0.01 -0.24 -0.04 2.34 2.22 2fh5B1 GLU 155 HG3 0.06 -0.02 0.03 -0.04 2.34 2.37 2fh5B1 PHE 156 H 0.36 0.44 -0.20 -0.55 8.34 8.39 2fh5B1 PHE 156 HA 0.35 0.06 0.55 -0.75 4.62 4.82 2fh5B1 PHE 156 HB2 0.19 0.01 0.11 -0.04 3.15 3.42 2fh5B1 PHE 156 HB3 0.38 0.07 0.17 -0.04 3.06 3.63 2fh5B1 PHE 156 HD2 0.21 -0.05 -0.01 -0.04 7.28 7.40 2fh5B1 PHE 156 HE2 -0.15 -0.11 -0.09 -0.04 7.38 7.00 2fh5B1 PHE 156 HZ -0.13 0.06 -0.07 -0.04 7.32 7.14 2fh5B1 LEU 157 H 0.10 0.69 0.01 -0.55 8.37 8.63 2fh5B1 LEU 157 HA -0.51 -0.00 0.34 -0.75 4.35 3.42 2fh5B1 LEU 157 HB2 -0.96 -0.03 0.02 -0.04 1.64 0.63 2fh5B1 LEU 157 HB3 -0.16 0.08 0.09 -0.04 1.64 1.61 2fh5B1 LEU 157 HG -0.12 0.03 -0.23 -0.04 1.64 1.28 2fh5B1 LEU 157 HD13 -0.73 -0.01 -0.06 -0.04 0.93 0.09 2fh5B1 LEU 157 HD23 -0.06 -0.01 -0.11 -0.04 0.89 0.67 2fh5B1 TYR 158 H 0.16 0.64 -0.25 -0.55 8.29 8.29 2fh5B1 TYR 158 HA -0.08 -0.00 0.33 -0.75 4.56 4.05 2fh5B1 TYR 158 HB2 -0.04 0.08 0.10 -0.04 3.06 3.16 2fh5B1 TYR 158 HB3 0.02 0.15 0.11 -0.04 2.98 3.22 2fh5B1 TYR 158 HD2 -0.10 -0.01 -0.10 -0.04 7.15 6.89 2fh5B1 TYR 158 HE2 -0.09 0.01 -0.07 -0.04 6.85 6.66 2fh5B1 GLN 159 H 0.29 0.37 -0.19 -0.55 8.47 8.39 2fh5B1 GLN 159 HA 0.03 0.03 0.45 -0.75 4.36 4.12 2fh5B1 GLN 159 HB2 0.43 0.11 0.17 -0.04 2.15 2.82 2fh5B1 GLN 159 HB3 0.35 -0.03 -0.07 -0.04 2.02 2.23 2fh5B1 GLN 159 HG2 -0.26 -0.03 0.02 -0.04 2.40 2.09 2fh5B1 GLN 159 HG3 0.03 0.01 0.04 -0.04 2.39 2.42 2fh5B1 GLN 159 HE21 -0.20 -0.03 -0.00 -0.04 6.97 6.69 2fh5B1 GLN 159 HE22 -0.32 0.01 -0.01 -0.04 7.69 7.32 2fh5B1 VAL 160 H 0.07 0.38 -0.35 -0.55 8.24 7.79 2fh5B1 VAL 160 HA 0.08 0.02 0.41 -0.75 4.13 3.89 2fh5B1 VAL 160 HB -0.13 0.07 0.11 -0.04 2.12 2.14 2fh5B1 VAL 160 HG13 0.01 -0.01 -0.18 -0.04 0.97 0.75 2fh5B1 VAL 160 HG23 -0.16 0.01 -0.10 -0.04 0.95 0.66 2fh5B1 LEU 161 H -0.08 0.62 -0.10 -0.55 8.37 8.27 2fh5B1 LEU 161 HA -0.02 0.05 0.35 -0.75 4.35 3.97 2fh5B1 LEU 161 HB2 -0.18 0.11 0.12 -0.04 1.64 1.65 2fh5B1 LEU 161 HB3 -0.06 -0.02 -0.08 -0.04 1.64 1.43 2fh5B1 LEU 161 HG -0.05 0.08 -0.07 -0.04 1.64 1.56 2fh5B1 LEU 161 HD13 0.07 -0.04 -0.14 -0.04 0.93 0.78 2fh5B1 LEU 161 HD23 0.10 -0.00 -0.10 -0.04 0.89 0.85 2fh5B1 ILE 162 H -0.19 0.56 -0.09 -0.55 8.25 7.97 2fh5B1 ILE 162 HA -0.12 0.04 0.35 -0.75 4.18 3.70 2fh5B1 ILE 162 HB -0.16 0.03 0.15 -0.04 1.89 1.86 2fh5B1 ILE 162 HG12 -0.22 0.01 -0.11 -0.04 1.49 1.13 2fh5B1 ILE 162 HG13 -0.55 0.00 -0.03 -0.04 1.21 0.59 2fh5B1 ILE 162 HG23 -0.06 -0.01 -0.17 -0.04 0.93 0.66 2fh5B1 ILE 162 HD13 -0.29 -0.01 -0.06 -0.04 0.88 0.48 2fh5B1 ASP 163 H -0.01 0.60 -0.12 -0.55 8.40 8.33 2fh5B1 ASP 163 HA 0.01 -0.03 0.27 -0.75 4.63 4.13 2fh5B1 ASP 163 HB2 0.07 0.07 0.10 -0.04 2.71 2.90 2fh5B1 ASP 163 HB3 0.07 -0.03 -0.10 -0.04 2.70 2.60 2fh5B1 SER 164 H 0.01 0.45 -0.41 -0.55 8.46 7.95 2fh5B1 SER 164 HA 0.03 0.01 0.36 -0.75 4.49 4.14 2fh5B1 SER 164 HB2 0.01 0.05 0.10 -0.04 3.95 4.06 2fh5B1 SER 164 HB3 0.02 0.03 -0.01 -0.04 3.93 3.94 2fh5B1 MET 165 H -0.01 0.48 -0.11 -0.55 8.47 8.28 2fh5B1 MET 165 HA 0.01 0.11 0.53 -0.75 4.52 4.42 2fh5B1 MET 165 HB2 -0.02 0.03 0.13 -0.04 2.15 2.25 2fh5B1 MET 165 HB3 0.00 -0.05 0.04 -0.04 2.03 1.98 2fh5B1 MET 165 HG2 0.02 0.04 -0.05 -0.04 2.63 2.60 2fh5B1 MET 165 HG3 0.01 0.14 0.03 -0.04 2.56 2.69 2fh5B1 MET 165 HE3 -0.05 0.00 -0.22 -0.04 2.10 1.79 2fh5B1 ALA 166 H -0.00 0.47 -0.14 -0.55 8.40 8.17 2fh5B1 ALA 166 HA 0.00 0.01 0.38 -0.75 4.34 3.97 2fh5B1 ALA 166 HB3 0.00 -0.02 0.06 -0.04 1.41 1.41 2fh5B1 LEU 167 H 0.01 0.29 -0.99 -0.55 8.37 7.13 2fh5B1 LEU 167 HA 0.02 0.01 0.69 -0.75 4.35 4.31 2fh5B1 LEU 167 HB2 0.02 0.33 -0.01 -0.04 1.64 1.94 2fh5B1 LEU 167 HB3 0.02 -0.09 -0.24 -0.04 1.64 1.29 2fh5B1 LEU 167 HG 0.03 0.17 -0.12 -0.04 1.64 1.68 2fh5B1 LEU 167 HD13 0.04 -0.01 -0.11 -0.04 0.93 0.81 2fh5B1 LEU 167 HD23 0.03 -0.04 -0.10 -0.04 0.89 0.73 2fh5B1 LYS 168 H 0.01 0.06 0.11 -0.55 8.42 8.05 2fh5B1 LYS 168 HA 0.01 0.04 0.37 -0.75 4.32 3.98 2fh5B1 LYS 168 HB2 0.01 -0.06 0.19 -0.04 1.87 1.97 2fh5B1 LYS 168 HB3 0.01 0.00 0.05 -0.04 1.79 1.81 2fh5B1 LYS 168 HG2 0.01 0.01 0.13 -0.04 1.46 1.57 2fh5B1 LYS 168 HG3 0.01 -0.02 0.07 -0.04 1.46 1.48 2fh5B1 LYS 168 HD2 0.01 -0.02 0.04 -0.04 1.69 1.67 2fh5B1 LYS 168 HD3 0.01 0.05 0.05 -0.04 1.68 1.75 2fh5B1 LYS 168 HE2 0.01 -0.03 0.03 -0.04 2.99 2.96 2fh5B1 LYS 168 HE3 0.01 -0.03 0.02 -0.04 2.99 2.95 2fh5B1 ASN 169 H 0.02 0.09 -0.10 -0.55 8.53 7.99 2fh5B1 ASN 169 HA 0.01 0.15 0.89 -0.75 4.76 5.06 2fh5B1 ASN 169 HB2 0.01 -0.02 0.16 -0.04 2.88 2.99 2fh5B1 ASN 169 HB3 0.01 0.08 0.06 -0.04 2.79 2.89 2fh5B1 ASN 169 HD21 0.00 -0.07 -0.00 -0.04 7.03 6.92 2fh5B1 ASN 169 HD22 0.00 0.05 0.02 -0.04 7.74 7.77 2fh5B1 SER 170 H 0.02 0.25 -0.03 -0.55 8.46 8.15 2fh5B1 SER 170 HA 0.02 0.14 0.34 -0.75 4.49 4.23 2fh5B1 SER 170 HB2 0.02 -0.12 0.17 -0.04 3.95 3.98 2fh5B1 SER 170 HB3 0.03 -0.03 -0.01 -0.04 3.93 3.87 2fh5B1 PRO 171 HA 0.02 0.19 0.53 -0.51 4.44 4.67 2fh5B1 PRO 171 HB2 0.05 -0.13 -0.31 -0.04 2.28 1.85 2fh5B1 PRO 171 HB3 0.04 0.30 -0.17 -0.04 2.02 2.15 2fh5B1 PRO 171 HG2 0.04 -0.08 -0.06 -0.04 2.03 1.89 2fh5B1 PRO 171 HG3 0.04 -0.05 -0.04 -0.04 2.03 1.94 2fh5B1 PRO 171 HD2 0.03 0.14 0.23 -0.04 3.68 4.04 2fh5B1 PRO 171 HD3 0.03 0.17 0.13 -0.04 3.65 3.95 2fh5B1 SER 172 H 0.03 0.47 0.33 -0.55 8.46 8.75 2fh5B1 SER 172 HA 0.09 0.02 0.61 -0.75 4.49 4.46 2fh5B1 SER 172 HB2 -0.01 0.07 0.18 -0.04 3.95 4.15 2fh5B1 SER 172 HB3 -0.00 0.01 0.20 -0.04 3.93 4.10 2fh5B1 LEU 173 H 0.14 0.63 0.29 -0.55 8.37 8.89 2fh5B1 LEU 173 HA 0.08 0.24 1.17 -0.75 4.35 5.09 2fh5B1 LEU 173 HB2 0.01 0.08 -0.13 -0.04 1.64 1.56 2fh5B1 LEU 173 HB3 0.01 0.13 0.12 -0.04 1.64 1.85 2fh5B1 LEU 173 HG -0.20 -0.13 -0.37 -0.04 1.64 0.90 2fh5B1 LEU 173 HD13 -0.11 0.00 -0.10 -0.04 0.93 0.68 2fh5B1 LEU 173 HD23 -0.06 -0.00 -0.15 -0.04 0.89 0.64 2fh5B1 LEU 174 H -0.26 0.75 0.43 -0.55 8.37 8.74 2fh5B1 LEU 174 HA -0.52 0.22 1.13 -0.75 4.35 4.42 2fh5B1 LEU 174 HB2 -2.25 0.05 -0.15 -0.04 1.64 -0.75 2fh5B1 LEU 174 HB3 -1.25 -0.03 0.04 -0.04 1.64 0.37 2fh5B1 LEU 174 HG -0.66 -0.07 -0.52 -0.04 1.64 0.35 2fh5B1 LEU 174 HD13 -0.83 0.04 -0.33 -0.04 0.93 -0.24 2fh5B1 LEU 174 HD23 -1.02 -0.02 -0.21 -0.04 0.89 -0.40 2fh5B1 ILE 175 H -0.65 0.79 0.36 -0.55 8.25 8.20 2fh5B1 ILE 175 HA -0.34 0.25 0.97 -0.75 4.18 4.30 2fh5B1 ILE 175 HB -1.75 -0.09 0.25 -0.04 1.89 0.26 2fh5B1 ILE 175 HG12 -1.03 0.11 -0.13 -0.04 1.49 0.39 2fh5B1 ILE 175 HG13 -1.86 -0.05 -0.09 -0.04 1.21 -0.84 2fh5B1 ILE 175 HG23 -0.36 -0.02 -0.13 -0.04 0.93 0.38 2fh5B1 ILE 175 HD13 -0.51 0.02 -0.17 -0.04 0.88 0.18 2fh5B1 ALA 176 H -0.20 0.53 0.03 -0.55 8.40 8.21 2fh5B1 ALA 176 HA -0.17 0.13 0.71 -0.75 4.34 4.25 2fh5B1 ALA 176 HB3 -0.13 -0.01 -0.11 -0.04 1.41 1.12 2fh5B1 CYS 177 H -0.06 0.72 0.34 -0.55 8.50 8.95 2fh5B1 CYS 177 HA -0.02 0.06 0.64 -0.75 4.58 4.51 2fh5B1 CYS 177 HB2 -0.01 -0.02 0.33 -0.04 2.97 3.23 2fh5B1 CYS 177 HB3 -0.04 0.05 0.08 -0.04 2.97 3.03 2fh5B1 ASN 178 H 0.01 0.49 0.42 -0.55 8.53 8.89 2fh5B1 ASN 178 HA 0.01 0.18 0.62 -0.75 4.76 4.81 2fh5B1 ASN 178 HB2 0.01 0.01 -0.04 -0.04 2.88 2.82 2fh5B1 ASN 178 HB3 0.02 0.19 0.07 -0.04 2.79 3.03 2fh5B1 ASN 178 HD21 0.03 -0.14 0.07 -0.04 7.03 6.95 2fh5B1 ASN 178 HD22 0.03 0.53 0.13 -0.04 7.74 8.38 2fh5B1 LYS 179 H 0.02 0.01 0.28 -0.55 8.42 8.18 2fh5B1 LYS 179 HA 0.03 -0.07 0.47 -0.75 4.32 4.00 2fh5B1 LYS 179 HB2 0.04 0.05 0.27 -0.04 1.87 2.19 2fh5B1 LYS 179 HB3 0.03 0.01 0.27 -0.04 1.79 2.06 2fh5B1 LYS 179 HG2 0.03 -0.06 0.06 -0.04 1.46 1.45 2fh5B1 LYS 179 HG3 0.04 0.10 -0.16 -0.04 1.46 1.39 2fh5B1 LYS 179 HD2 0.04 -0.09 0.02 -0.04 1.69 1.63 2fh5B1 LYS 179 HD3 0.03 0.02 0.02 -0.04 1.68 1.71 2fh5B1 LYS 179 HE2 0.03 -0.08 -0.10 -0.04 2.99 2.81 2fh5B1 LYS 179 HE3 0.03 0.13 -0.15 -0.04 2.99 2.96 2fh5B1 GLN 180 H 0.01 0.45 0.13 -0.55 8.47 8.52 2fh5B1 GLN 180 HA 0.01 0.14 0.39 -0.75 4.36 4.15 2fh5B1 GLN 180 HB2 0.01 -0.06 -0.03 -0.04 2.15 2.02 2fh5B1 GLN 180 HB3 0.01 0.05 -0.01 -0.04 2.02 2.02 2fh5B1 GLN 180 HG2 0.00 0.19 0.21 -0.04 2.40 2.76 2fh5B1 GLN 180 HG3 0.00 -0.13 0.09 -0.04 2.39 2.31 2fh5B1 GLN 180 HE21 -0.01 0.35 -0.03 -0.04 6.97 7.24 2fh5B1 GLN 180 HE22 -0.01 0.12 -0.07 -0.04 7.69 7.69 2fh5B1 ASP 181 H 0.02 -0.11 -0.22 -0.55 8.40 7.54 2fh5B1 ASP 181 HA 0.01 0.11 0.33 -0.75 4.63 4.33 2fh5B1 ASP 181 HB2 0.01 0.10 0.06 -0.04 2.71 2.84 2fh5B1 ASP 181 HB3 0.01 -0.03 0.08 -0.04 2.70 2.72 2fh5B1 ILE 182 H 0.02 0.29 -0.49 -0.55 8.25 7.52 2fh5B1 ILE 182 HA 0.01 0.08 0.66 -0.75 4.18 4.17 2fh5B1 ILE 182 HB 0.02 0.12 0.11 -0.04 1.89 2.11 2fh5B1 ILE 182 HG12 0.02 0.05 -0.00 -0.04 1.49 1.51 2fh5B1 ILE 182 HG13 0.02 -0.10 -0.04 -0.04 1.21 1.04 2fh5B1 ILE 182 HG23 0.02 -0.04 -0.08 -0.04 0.93 0.79 2fh5B1 ILE 182 HD13 0.03 -0.01 0.03 -0.04 0.88 0.88 2fh5B1 ALA 183 H 0.01 0.11 0.16 -0.55 8.40 8.14 2fh5B1 ALA 183 HA 0.01 0.15 0.36 -0.75 4.34 4.11 2fh5B1 ALA 183 HB3 0.01 0.00 0.12 -0.04 1.41 1.50 2fh5B1 MET 184 H 0.02 0.03 -0.09 -0.55 8.47 7.89 2fh5B1 MET 184 HA 0.02 0.13 0.39 -0.75 4.52 4.31 2fh5B1 MET 184 HB2 0.03 0.02 0.18 -0.04 2.15 2.34 2fh5B1 MET 184 HB3 0.02 -0.02 0.11 -0.04 2.03 2.09 2fh5B1 MET 184 HG2 0.03 -0.10 -0.06 -0.04 2.63 2.46 2fh5B1 MET 184 HG3 0.04 0.08 -0.05 -0.04 2.56 2.59 2fh5B1 MET 184 HE3 0.03 -0.00 0.05 -0.04 2.10 2.14 2fh5B1 ALA 185 H 0.02 0.44 -0.79 -0.55 8.40 7.52 2fh5B1 ALA 185 HA 0.05 -0.01 0.23 -0.75 4.34 3.85 2fh5B1 ALA 185 HB3 0.02 0.02 -0.02 -0.04 1.41 1.40 2fh5B1 LYS 186 H 0.06 0.45 0.25 -0.55 8.42 8.63 2fh5B1 LYS 186 HA 0.03 0.05 0.53 -0.75 4.32 4.17 2fh5B1 LYS 186 HB2 0.00 -0.03 0.13 -0.04 1.87 1.93 2fh5B1 LYS 186 HB3 0.03 -0.08 0.06 -0.04 1.79 1.76 2fh5B1 LYS 186 HG2 0.13 0.16 0.19 -0.04 1.46 1.90 2fh5B1 LYS 186 HG3 0.29 -0.11 0.04 -0.04 1.46 1.64 2fh5B1 LYS 186 HD2 0.12 -0.03 0.02 -0.04 1.69 1.76 2fh5B1 LYS 186 HD3 0.07 -0.05 0.05 -0.04 1.68 1.71 2fh5B1 LYS 186 HE2 0.05 -0.03 -0.01 -0.04 2.99 2.96 2fh5B1 LYS 186 HE3 0.05 0.09 -0.16 -0.04 2.99 2.93 2fh5B1 SER 187 H -0.01 0.08 0.20 -0.55 8.46 8.18 2fh5B1 SER 187 HA -0.02 0.20 0.49 -0.75 4.49 4.40 2fh5B1 SER 187 HB2 -0.03 -0.02 0.19 -0.04 3.95 4.05 2fh5B1 SER 187 HB3 -0.02 0.19 0.18 -0.04 3.93 4.24 2fh5B1 ALA 188 H -0.03 0.21 0.17 -0.55 8.40 8.20 2fh5B1 ALA 188 HA -0.04 0.12 0.43 -0.75 4.34 4.10 2fh5B1 ALA 188 HB3 0.02 0.04 -0.01 -0.04 1.41 1.42 2fh5B1 LYS 189 H -0.07 0.06 -0.16 -0.55 8.42 7.70 2fh5B1 LYS 189 HA -0.18 0.15 0.44 -0.75 4.32 3.97 2fh5B1 LYS 189 HB2 -0.07 0.04 0.10 -0.04 1.87 1.90 2fh5B1 LYS 189 HB3 -0.06 -0.06 0.10 -0.04 1.79 1.73 2fh5B1 LYS 189 HG2 -0.05 0.01 -0.15 -0.04 1.46 1.23 2fh5B1 LYS 189 HG3 -0.08 0.03 0.03 -0.04 1.46 1.40 2fh5B1 LYS 189 HD2 -0.04 0.02 0.02 -0.04 1.69 1.65 2fh5B1 LYS 189 HD3 -0.03 -0.01 0.01 -0.04 1.68 1.61 2fh5B1 LYS 189 HE2 -0.04 0.02 -0.01 -0.04 2.99 2.93 2fh5B1 LYS 189 HE3 -0.02 0.04 0.00 -0.04 2.99 2.96 2fh5B1 LEU 190 H -0.07 0.04 -0.19 -0.55 8.37 7.61 2fh5B1 LEU 190 HA -0.03 0.10 0.41 -0.75 4.35 4.07 2fh5B1 LEU 190 HB2 -0.01 0.02 0.11 -0.04 1.64 1.71 2fh5B1 LEU 190 HB3 -0.03 0.02 0.09 -0.04 1.64 1.69 2fh5B1 LEU 190 HG 0.08 0.00 -0.20 -0.04 1.64 1.48 2fh5B1 LEU 190 HD13 0.04 0.00 0.06 -0.04 0.93 1.00 2fh5B1 LEU 190 HD23 0.05 0.01 0.03 -0.04 0.89 0.93 2fh5B1 ILE 191 H -0.16 0.42 -0.33 -0.55 8.25 7.63 2fh5B1 ILE 191 HA -0.42 0.03 0.41 -0.75 4.18 3.45 2fh5B1 ILE 191 HB -0.21 0.04 0.09 -0.04 1.89 1.77 2fh5B1 ILE 191 HG12 -1.93 -0.06 -0.05 -0.04 1.49 -0.59 2fh5B1 ILE 191 HG13 -0.43 0.00 -0.11 -0.04 1.21 0.63 2fh5B1 ILE 191 HG23 -0.30 -0.01 -0.18 -0.04 0.93 0.41 2fh5B1 ILE 191 HD13 -0.26 -0.01 -0.13 -0.04 0.88 0.44 2fh5B1 GLN 192 H -0.30 0.51 -0.21 -0.55 8.47 7.92 2fh5B1 GLN 192 HA -0.20 0.02 0.36 -0.75 4.36 3.80 2fh5B1 GLN 192 HB2 -1.41 0.07 0.15 -0.04 2.15 0.92 2fh5B1 GLN 192 HB3 -0.42 0.10 0.15 -0.04 2.02 1.81 2fh5B1 GLN 192 HG2 -0.03 -0.05 -0.10 -0.04 2.40 2.17 2fh5B1 GLN 192 HG3 -1.03 -0.01 0.03 -0.04 2.39 1.34 2fh5B1 GLN 192 HE21 -0.03 0.03 0.01 -0.04 6.97 6.95 2fh5B1 GLN 192 HE22 0.11 -0.09 -0.00 -0.04 7.69 7.67 2fh5B1 GLN 193 H -0.09 0.45 -0.16 -0.55 8.47 8.13 2fh5B1 GLN 193 HA 0.01 0.04 0.42 -0.75 4.36 4.08 2fh5B1 GLN 193 HB2 -0.02 0.01 0.10 -0.04 2.15 2.19 2fh5B1 GLN 193 HB3 -0.01 0.04 0.18 -0.04 2.02 2.20 2fh5B1 GLN 193 HG2 0.04 0.02 -0.28 -0.04 2.40 2.13 2fh5B1 GLN 193 HG3 0.02 -0.01 -0.02 -0.04 2.39 2.33 2fh5B1 GLN 193 HE21 0.01 0.00 -0.01 -0.04 6.97 6.93 2fh5B1 GLN 193 HE22 0.01 0.01 -0.02 -0.04 7.69 7.65 2fh5B1 GLN 194 H 0.10 0.59 -0.07 -0.55 8.47 8.55 2fh5B1 GLN 194 HA 0.11 0.04 0.44 -0.75 4.36 4.20 2fh5B1 GLN 194 HB2 0.44 0.06 0.11 -0.04 2.15 2.71 2fh5B1 GLN 194 HB3 0.22 -0.05 0.03 -0.04 2.02 2.19 2fh5B1 GLN 194 HG2 0.14 0.13 0.10 -0.04 2.40 2.73 2fh5B1 GLN 194 HG3 0.22 -0.04 0.01 -0.04 2.39 2.54 2fh5B1 GLN 194 HE21 0.05 0.02 -0.00 -0.04 6.97 7.00 2fh5B1 GLN 194 HE22 0.07 -0.01 0.02 -0.04 7.69 7.72 2fh5B1 LEU 195 H 0.24 0.60 -0.24 -0.55 8.37 8.41 2fh5B1 LEU 195 HA 0.23 0.00 0.50 -0.75 4.35 4.32 2fh5B1 LEU 195 HB2 0.45 0.14 0.13 -0.04 1.64 2.31 2fh5B1 LEU 195 HB3 0.45 -0.04 -0.05 -0.04 1.64 1.95 2fh5B1 LEU 195 HG 0.47 0.01 -0.00 -0.04 1.64 2.07 2fh5B1 LEU 195 HD13 0.27 -0.01 -0.14 -0.04 0.93 1.00 2fh5B1 LEU 195 HD23 0.26 -0.02 -0.04 -0.04 0.89 1.04 2fh5B1 GLU 196 H 0.19 0.58 -0.13 -0.55 8.60 8.70 2fh5B1 GLU 196 HA 0.13 -0.01 0.38 -0.75 4.29 4.03 2fh5B1 GLU 196 HB2 0.06 0.09 0.20 -0.04 2.09 2.40 2fh5B1 GLU 196 HB3 0.03 0.22 0.03 -0.04 1.99 2.23 2fh5B1 GLU 196 HG2 -0.22 -0.13 0.02 -0.04 2.34 1.96 2fh5B1 GLU 196 HG3 0.25 0.41 0.14 -0.04 2.34 3.10 2fh5B1 LYS 197 H 0.08 0.52 -0.06 -0.55 8.42 8.41 2fh5B1 LYS 197 HA 0.05 0.05 0.37 -0.75 4.32 4.03 2fh5B1 LYS 197 HB2 0.04 0.00 0.11 -0.04 1.87 1.99 2fh5B1 LYS 197 HB3 0.06 0.07 0.17 -0.04 1.79 2.04 2fh5B1 LYS 197 HG2 0.03 -0.00 -0.25 -0.04 1.46 1.19 2fh5B1 LYS 197 HG3 0.02 -0.01 0.02 -0.04 1.46 1.45 2fh5B1 LYS 197 HD2 0.03 -0.01 -0.01 -0.04 1.69 1.66 2fh5B1 LYS 197 HD3 0.04 -0.02 -0.01 -0.04 1.68 1.65 2fh5B1 LYS 197 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.91 2fh5B1 LYS 197 HE3 0.01 0.01 -0.02 -0.04 2.99 2.95 2fh5B1 GLU 198 H 0.07 0.42 -0.38 -0.55 8.60 8.16 2fh5B1 GLU 198 HA 0.00 0.04 0.50 -0.75 4.29 4.07 2fh5B1 GLU 198 HB2 0.05 0.11 0.11 -0.04 2.09 2.31 2fh5B1 GLU 198 HB3 0.05 0.06 0.13 -0.04 1.99 2.19 2fh5B1 GLU 198 HG2 0.01 -0.03 -0.07 -0.04 2.34 2.21 2fh5B1 GLU 198 HG3 -0.01 -0.03 -0.08 -0.04 2.34 2.17 2fh5B1 LEU 199 H -0.03 0.74 0.01 -0.55 8.37 8.54 2fh5B1 LEU 199 HA -0.12 -0.01 0.49 -0.75 4.35 3.95 2fh5B1 LEU 199 HB2 -0.52 0.08 0.08 -0.04 1.64 1.25 2fh5B1 LEU 199 HB3 -0.64 -0.03 0.01 -0.04 1.64 0.94 2fh5B1 LEU 199 HG -0.04 0.11 0.09 -0.04 1.64 1.75 2fh5B1 LEU 199 HD13 -0.26 -0.02 -0.14 -0.04 0.93 0.46 2fh5B1 LEU 199 HD23 -0.01 -0.02 -0.01 -0.04 0.89 0.80 2fh5B1 ASN 200 H -0.01 0.51 -0.38 -0.55 8.53 8.11 2fh5B1 ASN 200 HA 0.03 0.02 0.37 -0.75 4.76 4.42 2fh5B1 ASN 200 HB2 0.12 0.08 0.12 -0.04 2.88 3.16 2fh5B1 ASN 200 HB3 0.04 0.23 0.12 -0.04 2.79 3.13 2fh5B1 ASN 200 HD21 0.02 -0.01 -0.04 -0.04 7.03 6.96 2fh5B1 ASN 200 HD22 0.02 0.05 -0.06 -0.04 7.74 7.71 2fh5B1 THR 201 H -0.03 0.27 -0.30 -0.55 8.28 7.68 2fh5B1 THR 201 HA -0.02 0.14 0.69 -0.75 4.39 4.44 2fh5B1 THR 201 HB -0.04 0.06 0.14 -0.04 4.32 4.44 2fh5B1 THR 201 HG23 -0.03 -0.02 -0.04 -0.04 1.22 1.08 2fh5B1 LEU 202 H -0.10 0.47 -0.05 -0.55 8.37 8.15 2fh5B1 LEU 202 HA -0.16 -0.04 0.40 -0.75 4.35 3.80 2fh5B1 LEU 202 HB2 -0.20 0.08 0.21 -0.04 1.64 1.69 2fh5B1 LEU 202 HB3 -0.56 0.00 -0.05 -0.04 1.64 0.99 2fh5B1 LEU 202 HG -0.12 0.03 0.02 -0.04 1.64 1.54 2fh5B1 LEU 202 HD13 -0.14 -0.02 -0.17 -0.04 0.93 0.56 2fh5B1 LEU 202 HD23 -0.20 -0.02 0.01 -0.04 0.89 0.64 2fh5B1 ARG 203 H -0.08 0.55 -0.19 -0.55 8.46 8.18 2fh5B1 ARG 203 HA 0.01 0.04 0.44 -0.75 4.34 4.07 2fh5B1 ARG 203 HB2 0.06 -0.02 0.10 -0.04 1.90 2.01 2fh5B1 ARG 203 HB3 0.10 -0.07 0.10 -0.04 1.80 1.89 2fh5B1 ARG 203 HG2 -0.03 0.15 0.06 -0.04 1.67 1.80 2fh5B1 ARG 203 HG3 0.01 0.05 -0.15 -0.04 1.67 1.54 2fh5B1 ARG 203 HD2 0.06 0.03 -0.03 -0.04 3.22 3.24 2fh5B1 ARG 203 HD3 0.01 -0.10 -0.05 -0.04 3.22 3.04 2fh5B1 VAL 204 H -0.05 0.24 -0.60 -0.55 8.24 7.27 2fh5B1 VAL 204 HA -0.01 0.17 0.81 -0.75 4.13 4.34 2fh5B1 VAL 204 HB -0.03 0.06 0.17 -0.04 2.12 2.28 2fh5B1 VAL 204 HG13 -0.01 -0.02 -0.07 -0.04 0.97 0.82 2fh5B1 VAL 204 HG23 -0.00 0.01 -0.02 -0.04 0.95 0.90 2fh5B1 THR 205 H -0.06 0.45 0.17 -0.55 8.28 8.29 2fh5B1 THR 205 HA -0.04 0.09 0.44 -0.75 4.39 4.12 2fh5B1 THR 205 HB -0.05 -0.06 0.05 -0.04 4.32 4.22 2fh5B1 THR 205 HG23 -0.04 0.04 0.03 -0.04 1.22 1.21 2fh5B1 ARG 206 H -0.14 0.63 -0.09 -0.55 8.46 8.31 2fh5B1 ARG 206 HA -0.14 -0.17 0.34 -0.75 4.34 3.61 2fh5B1 ARG 206 HB2 -0.41 0.10 0.11 -0.04 1.90 1.66 2fh5B1 ARG 206 HB3 -0.12 0.08 0.07 -0.04 1.80 1.79 2fh5B1 ARG 206 HG2 -0.01 0.02 -0.06 -0.04 1.67 1.57 2fh5B1 ARG 206 HG3 -0.05 -0.07 -0.34 -0.04 1.67 1.17 2fh5B1 ARG 206 HD2 -0.15 -0.08 -0.02 -0.04 3.22 2.93 2fh5B1 ARG 206 HD3 -0.54 -0.02 -0.02 -0.04 3.22 2.60 2fh5B1 SER 207 H -0.06 0.03 0.13 -0.55 8.46 8.02 2fh5B1 SER 207 HA -0.03 0.19 0.31 -0.75 4.49 4.21 2fh5B1 SER 207 HB2 -0.03 -0.06 0.11 -0.04 3.95 3.93 2fh5B1 SER 207 HB3 -0.02 -0.01 0.09 -0.04 3.93 3.94 2fh5B1 PRO 220 HA 0.00 -0.11 0.28 -0.51 4.44 4.09 2fh5B1 PRO 220 HB2 0.01 -0.02 0.06 -0.04 2.28 2.28 2fh5B1 PRO 220 HB3 0.01 0.02 0.10 -0.04 2.02 2.11 2fh5B1 PRO 220 HG2 0.00 -0.02 0.03 -0.04 2.03 2.01 2fh5B1 PRO 220 HG3 0.00 -0.01 0.12 -0.04 2.03 2.10 2fh5B1 PRO 220 HD2 0.00 -0.02 0.04 -0.04 3.68 3.67 2fh5B1 PRO 220 HD3 0.00 -0.02 0.04 -0.04 3.65 3.63 2fh5B1 ALA 221 H -0.01 0.07 0.09 -0.55 8.40 8.01 2fh5B1 ALA 221 HA -0.00 0.10 0.59 -0.75 4.34 4.27 2fh5B1 ALA 221 HB3 -0.02 0.01 0.06 -0.04 1.41 1.41 2fh5B1 GLN 222 H -0.00 0.21 0.21 -0.55 8.47 8.34 2fh5B1 GLN 222 HA -0.02 0.16 0.84 -0.75 4.36 4.59 2fh5B1 GLN 222 HB2 0.03 -0.04 0.05 -0.04 2.15 2.16 2fh5B1 GLN 222 HB3 0.02 0.06 -0.22 -0.04 2.02 1.84 2fh5B1 GLN 222 HG2 0.02 -0.01 -0.01 -0.04 2.40 2.35 2fh5B1 GLN 222 HG3 0.03 0.09 -0.44 -0.04 2.39 2.03 2fh5B1 GLN 222 HE21 0.03 -0.22 -0.04 -0.04 6.97 6.70 2fh5B1 GLN 222 HE22 0.04 0.28 -0.32 -0.04 7.69 7.65 2fh5B1 LEU 223 H 0.02 0.15 0.07 -0.55 8.37 8.06 2fh5B1 LEU 223 HA 0.06 0.13 0.70 -0.75 4.35 4.49 2fh5B1 LEU 223 HB2 -0.02 0.01 0.09 -0.04 1.64 1.68 2fh5B1 LEU 223 HB3 0.01 -0.03 -0.10 -0.04 1.64 1.48 2fh5B1 LEU 223 HG -0.20 0.01 -0.04 -0.04 1.64 1.37 2fh5B1 LEU 223 HD13 -0.50 -0.01 -0.06 -0.04 0.93 0.32 2fh5B1 LEU 223 HD23 -0.18 0.02 -0.17 -0.04 0.89 0.52 2fh5B1 GLY 224 H 0.12 0.17 0.11 -0.55 8.43 8.28 2fh5B1 GLY 224 HA2 0.05 0.16 0.28 -0.51 4.01 3.99 2fh5B1 GLY 224 HA3 0.09 -0.05 0.34 -0.51 4.01 3.87 2fh5B1 LYS 225 H 0.03 0.14 0.15 -0.55 8.42 8.19 2fh5B1 LYS 225 HA 0.03 0.19 0.94 -0.75 4.32 4.72 2fh5B1 LYS 225 HB2 0.00 -0.00 0.12 -0.04 1.87 1.95 2fh5B1 LYS 225 HB3 0.01 -0.12 0.00 -0.04 1.79 1.64 2fh5B1 LYS 225 HG2 0.01 0.03 -0.18 -0.04 1.46 1.27 2fh5B1 LYS 225 HG3 0.00 -0.01 -0.02 -0.04 1.46 1.39 2fh5B1 LYS 225 HD2 0.01 -0.06 0.01 -0.04 1.69 1.61 2fh5B1 LYS 225 HD3 0.01 0.06 0.06 -0.04 1.68 1.78 2fh5B1 LYS 225 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2fh5B1 LYS 225 HE3 0.01 0.08 -0.05 -0.04 2.99 2.99 2fh5B1 LYS 226 H 0.02 0.17 0.11 -0.55 8.42 8.17 2fh5B1 LYS 226 HA 0.03 0.14 0.31 -0.75 4.32 4.05 2fh5B1 LYS 226 HB2 0.02 0.03 0.02 -0.04 1.87 1.89 2fh5B1 LYS 226 HB3 0.02 0.06 0.09 -0.04 1.79 1.92 2fh5B1 LYS 226 HG2 0.01 -0.02 0.10 -0.04 1.46 1.52 2fh5B1 LYS 226 HG3 0.01 -0.06 -0.01 -0.04 1.46 1.37 2fh5B1 LYS 226 HD2 0.01 0.05 0.00 -0.04 1.69 1.71 2fh5B1 LYS 226 HD3 0.01 -0.02 -0.00 -0.04 1.68 1.63 2fh5B1 LYS 226 HE2 0.01 -0.03 -0.06 -0.04 2.99 2.86 2fh5B1 LYS 226 HE3 0.01 0.03 -0.11 -0.04 2.99 2.88 2fh5B1 GLY 227 H 0.01 0.01 -0.23 -0.55 8.43 7.67 2fh5B1 GLY 227 HA2 0.01 0.11 0.43 -0.51 4.01 4.04 2fh5B1 GLY 227 HA3 0.01 -0.03 0.25 -0.51 4.01 3.72 2fh5B1 LYS 228 H 0.01 0.42 -0.34 -0.55 8.42 7.96 2fh5B1 LYS 228 HA 0.00 0.16 1.01 -0.75 4.32 4.74 2fh5B1 LYS 228 HB2 -0.01 -0.06 -0.11 -0.04 1.87 1.65 2fh5B1 LYS 228 HB3 -0.01 -0.01 -0.01 -0.04 1.79 1.72 2fh5B1 LYS 228 HG2 -0.02 0.08 -0.03 -0.04 1.46 1.45 2fh5B1 LYS 228 HG3 -0.01 -0.02 0.05 -0.04 1.46 1.44 2fh5B1 LYS 228 HD2 -0.02 -0.03 -0.03 -0.04 1.69 1.56 2fh5B1 LYS 228 HD3 -0.04 -0.01 -0.07 -0.04 1.68 1.53 2fh5B1 LYS 228 HE2 -0.02 -0.03 -0.01 -0.04 2.99 2.88 2fh5B1 LYS 228 HE3 -0.04 -0.04 -0.03 -0.04 2.99 2.84 2fh5B1 GLU 229 H -0.00 0.07 0.08 -0.55 8.60 8.21 2fh5B1 GLU 229 HA 0.03 0.03 0.36 -0.75 4.29 3.96 2fh5B1 GLU 229 HB2 -0.01 -0.04 0.09 -0.04 2.09 2.08 2fh5B1 GLU 229 HB3 0.01 0.03 0.01 -0.04 1.99 2.01 2fh5B1 GLU 229 HG2 0.00 -0.01 0.11 -0.04 2.34 2.40 2fh5B1 GLU 229 HG3 0.00 -0.02 0.05 -0.04 2.34 2.32 2fh5B1 PHE 230 H 0.14 0.08 0.17 -0.55 8.34 8.18 2fh5B1 PHE 230 HA -0.05 0.08 0.32 -0.75 4.62 4.22 2fh5B1 PHE 230 HB2 -0.05 0.11 0.03 -0.04 3.15 3.20 2fh5B1 PHE 230 HB3 -0.08 -0.01 0.02 -0.04 3.06 2.95 2fh5B1 PHE 230 HD2 -0.17 0.06 -0.24 -0.04 7.28 6.89 2fh5B1 PHE 230 HE2 -0.71 -0.05 -0.21 -0.04 7.38 6.37 2fh5B1 PHE 230 HZ -0.37 0.01 -0.21 -0.04 7.32 6.72 2fh5B1 GLU 231 H -1.32 0.32 0.18 -0.55 8.60 7.24 2fh5B1 GLU 231 HA -0.52 0.08 0.62 -0.75 4.29 3.72 2fh5B1 GLU 231 HB2 -0.28 0.05 -0.01 -0.04 2.09 1.82 2fh5B1 GLU 231 HB3 -0.20 -0.16 0.04 -0.04 1.99 1.63 2fh5B1 GLU 231 HG2 -0.12 -0.07 0.09 -0.04 2.34 2.20 2fh5B1 GLU 231 HG3 -0.16 0.31 -0.31 -0.04 2.34 2.14 2fh5B1 PHE 232 H -0.13 0.16 0.12 -0.55 8.34 7.94 2fh5B1 PHE 232 HA -0.04 0.12 0.42 -0.75 4.62 4.37 2fh5B1 PHE 232 HB2 0.06 -0.04 0.10 -0.04 3.15 3.23 2fh5B1 PHE 232 HB3 0.11 0.11 -0.00 -0.04 3.06 3.24 2fh5B1 PHE 232 HD2 0.15 0.03 -0.01 -0.04 7.28 7.41 2fh5B1 PHE 232 HE2 0.17 0.04 -0.07 -0.04 7.38 7.48 2fh5B1 PHE 232 HZ 0.18 -0.03 -0.14 -0.04 7.32 7.29 2fh5B1 SER 233 H -0.01 0.01 -0.16 -0.55 8.46 7.75 2fh5B1 SER 233 HA 0.04 0.16 0.45 -0.75 4.49 4.39 2fh5B1 SER 233 HB2 -0.00 0.06 0.08 -0.04 3.95 4.05 2fh5B1 SER 233 HB3 0.01 -0.04 0.10 -0.04 3.93 3.95 2fh5B1 GLN 234 H -0.17 0.20 -0.40 -0.55 8.47 7.55 2fh5B1 GLN 234 HA -0.04 0.08 0.43 -0.75 4.36 4.08 2fh5B1 GLN 234 HB2 -0.15 0.03 0.04 -0.04 2.15 2.03 2fh5B1 GLN 234 HB3 -0.06 -0.05 0.15 -0.04 2.02 2.02 2fh5B1 GLN 234 HG2 -0.10 0.00 -0.01 -0.04 2.40 2.25 2fh5B1 GLN 234 HG3 -0.22 -0.10 0.03 -0.04 2.39 2.06 2fh5B1 GLN 234 HE21 -0.11 0.44 -0.22 -0.04 6.97 7.04 2fh5B1 GLN 234 HE22 -0.14 -0.09 -0.06 -0.04 7.69 7.36 2fh5B1 LEU 235 H 0.02 0.37 -0.53 -0.55 8.37 7.68 2fh5B1 LEU 235 HA 0.06 0.12 0.70 -0.75 4.35 4.47 2fh5B1 LEU 235 HB2 0.13 0.20 0.17 -0.04 1.64 2.10 2fh5B1 LEU 235 HB3 0.10 0.02 -0.06 -0.04 1.64 1.67 2fh5B1 LEU 235 HG 0.19 -0.05 0.03 -0.04 1.64 1.76 2fh5B1 LEU 235 HD13 0.30 -0.01 -0.05 -0.04 0.93 1.12 2fh5B1 LEU 235 HD23 0.20 -0.01 -0.05 -0.04 0.89 0.98 2fh5B1 PRO 236 HA 0.03 0.09 0.53 -0.51 4.44 4.57 2fh5B1 PRO 236 HB2 0.02 0.05 0.25 -0.04 2.28 2.56 2fh5B1 PRO 236 HB3 0.02 -0.01 0.14 -0.04 2.02 2.13 2fh5B1 PRO 236 HG2 0.03 0.06 0.06 -0.04 2.03 2.13 2fh5B1 PRO 236 HG3 0.02 0.03 0.12 -0.04 2.03 2.15 2fh5B1 PRO 236 HD2 0.05 0.01 0.21 -0.04 3.68 3.91 2fh5B1 PRO 236 HD3 0.03 0.17 0.23 -0.04 3.65 4.05 2fh5B1 LEU 237 H 0.05 0.64 -0.54 -0.55 8.37 7.98 2fh5B1 LEU 237 HA 0.04 0.16 0.57 -0.75 4.35 4.36 2fh5B1 LEU 237 HB2 0.07 -0.12 -0.21 -0.04 1.64 1.35 2fh5B1 LEU 237 HB3 0.05 0.10 -0.13 -0.04 1.64 1.63 2fh5B1 LEU 237 HG 0.04 0.02 -0.44 -0.04 1.64 1.22 2fh5B1 LEU 237 HD13 0.05 -0.02 -0.12 -0.04 0.93 0.80 2fh5B1 LEU 237 HD23 0.03 0.04 -0.14 -0.04 0.89 0.78 2fh5B1 LYS 238 H 0.05 0.24 0.09 -0.55 8.42 8.25 2fh5B1 LYS 238 HA 0.06 0.06 0.58 -0.75 4.32 4.27 2fh5B1 LYS 238 HB2 0.08 -0.04 0.22 -0.04 1.87 2.09 2fh5B1 LYS 238 HB3 0.10 -0.03 0.03 -0.04 1.79 1.85 2fh5B1 LYS 238 HG2 0.03 0.03 0.02 -0.04 1.46 1.51 2fh5B1 LYS 238 HG3 0.03 0.04 0.03 -0.04 1.46 1.52 2fh5B1 LYS 238 HD2 0.05 -0.04 0.01 -0.04 1.69 1.66 2fh5B1 LYS 238 HD3 0.04 0.03 -0.02 -0.04 1.68 1.68 2fh5B1 LYS 238 HE2 0.02 0.03 -0.03 -0.04 2.99 2.97 2fh5B1 LYS 238 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 2fh5B1 VAL 239 H 0.07 0.23 0.18 -0.55 8.24 8.17 2fh5B1 VAL 239 HA -0.02 0.41 1.03 -0.75 4.13 4.80 2fh5B1 VAL 239 HB 0.07 -0.04 0.05 -0.04 2.12 2.16 2fh5B1 VAL 239 HG13 -0.28 -0.04 -0.18 -0.04 0.97 0.43 2fh5B1 VAL 239 HG23 0.09 0.04 -0.33 -0.04 0.95 0.71 2fh5B1 GLU 240 H -0.15 0.61 0.37 -0.55 8.60 8.88 2fh5B1 GLU 240 HA 0.04 0.20 1.03 -0.75 4.29 4.81 2fh5B1 GLU 240 HB2 -0.12 -0.00 -0.01 -0.04 2.09 1.91 2fh5B1 GLU 240 HB3 -0.05 -0.00 -0.01 -0.04 1.99 1.89 2fh5B1 GLU 240 HG2 0.10 0.02 0.00 -0.04 2.34 2.42 2fh5B1 GLU 240 HG3 0.15 -0.00 -0.36 -0.04 2.34 2.09 2fh5B1 PHE 241 H 0.12 0.24 0.22 -0.55 8.34 8.38 2fh5B1 PHE 241 HA -0.23 0.28 1.09 -0.75 4.62 5.00 2fh5B1 PHE 241 HB2 -0.13 -0.02 0.11 -0.04 3.15 3.07 2fh5B1 PHE 241 HB3 -0.14 -0.05 0.03 -0.04 3.06 2.86 2fh5B1 PHE 241 HD2 -0.21 -0.03 -0.10 -0.04 7.28 6.90 2fh5B1 PHE 241 HE2 -0.62 -0.01 -0.14 -0.04 7.38 6.57 2fh5B1 PHE 241 HZ -0.59 0.02 -0.07 -0.04 7.32 6.63 2fh5B1 LEU 242 H -0.10 0.56 0.38 -0.55 8.37 8.67 2fh5B1 LEU 242 HA -0.01 0.11 0.55 -0.75 4.35 4.25 2fh5B1 LEU 242 HB2 -0.03 -0.05 0.14 -0.04 1.64 1.66 2fh5B1 LEU 242 HB3 -0.08 0.14 -0.16 -0.04 1.64 1.50 2fh5B1 LEU 242 HG -0.27 -0.00 -0.24 -0.04 1.64 1.08 2fh5B1 LEU 242 HD13 -0.07 -0.01 -0.38 -0.04 0.93 0.43 2fh5B1 LEU 242 HD23 -0.07 -0.02 -0.32 -0.04 0.89 0.44 2fh5B1 GLU 243 H -0.01 0.18 0.21 -0.55 8.60 8.43 2fh5B1 GLU 243 HA -0.02 0.30 1.08 -0.75 4.29 4.89 2fh5B1 GLU 243 HB2 -0.00 -0.01 0.12 -0.04 2.09 2.16 2fh5B1 GLU 243 HB3 -0.00 0.08 0.17 -0.04 1.99 2.20 2fh5B1 GLU 243 HG2 -0.01 0.05 0.07 -0.04 2.34 2.40 2fh5B1 GLU 243 HG3 -0.01 -0.08 -0.08 -0.04 2.34 2.13 2fh5B1 CYS 244 H -0.00 0.60 0.34 -0.55 8.50 8.89 2fh5B1 CYS 244 HA 0.01 0.20 0.50 -0.75 4.58 4.54 2fh5B1 CYS 244 HB2 0.02 0.03 0.17 -0.04 2.97 3.15 2fh5B1 CYS 244 HB3 -0.00 0.09 -0.08 -0.04 2.97 2.95 2fh5B1 SER 245 H 0.02 0.67 0.23 -0.55 8.46 8.84 2fh5B1 SER 245 HA 0.02 -0.15 0.84 -0.75 4.49 4.45 2fh5B1 SER 245 HB2 0.02 0.01 -0.02 -0.04 3.95 3.91 2fh5B1 SER 245 HB3 0.02 0.05 0.14 -0.04 3.93 4.10 2fh5B1 ALA 246 H 0.03 0.09 0.15 -0.55 8.40 8.13 2fh5B1 ALA 246 HA 0.04 0.20 0.59 -0.75 4.34 4.41 2fh5B1 ALA 246 HB3 0.04 0.03 -0.05 -0.04 1.41 1.39 2fh5B1 LYS 247 H 0.04 -0.07 -0.18 -0.55 8.42 7.66 2fh5B1 LYS 247 HA 0.07 0.35 0.69 -0.75 4.32 4.68 2fh5B1 LYS 247 HB2 0.03 -0.14 0.03 -0.04 1.87 1.76 2fh5B1 LYS 247 HB3 -0.01 0.12 0.02 -0.04 1.79 1.88 2fh5B1 LYS 247 HG2 0.08 0.12 -0.08 -0.04 1.46 1.54 2fh5B1 LYS 247 HG3 0.12 -0.11 -0.20 -0.04 1.46 1.23 2fh5B1 LYS 247 HD2 0.02 -0.06 -0.04 -0.04 1.69 1.57 2fh5B1 LYS 247 HD3 -0.07 0.07 -0.04 -0.04 1.68 1.61 2fh5B1 LYS 247 HE2 0.01 0.05 -0.06 -0.04 2.99 2.95 2fh5B1 LYS 247 HE3 0.18 -0.06 -0.06 -0.04 2.99 3.01 2fh5B1 SER 255 HA 0.03 0.02 0.26 -0.75 4.49 4.05 2fh5B1 SER 255 HB2 0.02 -0.04 0.11 -0.04 3.95 4.00 2fh5B1 SER 255 HB3 0.02 0.02 0.10 -0.04 3.93 4.02 2fh5B1 ALA 256 H 0.03 0.15 0.04 -0.55 8.40 8.07 2fh5B1 ALA 256 HA 0.02 0.10 0.54 -0.75 4.34 4.25 2fh5B1 ALA 256 HB3 0.04 0.14 -0.11 -0.04 1.41 1.43 2fh5B1 ASP 257 H 0.02 0.31 0.08 -0.55 8.40 8.26 2fh5B1 ASP 257 HA 0.02 0.21 0.88 -0.75 4.63 4.99 2fh5B1 ASP 257 HB2 0.02 0.15 -0.03 -0.04 2.71 2.81 2fh5B1 ASP 257 HB3 0.02 -0.11 0.19 -0.04 2.70 2.75 2fh5B1 ILE 258 H 0.03 0.34 -0.09 -0.55 8.25 7.99 2fh5B1 ILE 258 HA 0.03 0.13 0.93 -0.75 4.18 4.52 2fh5B1 ILE 258 HB 0.04 -0.03 0.09 -0.04 1.89 1.96 2fh5B1 ILE 258 HG12 0.03 0.01 -0.15 -0.04 1.49 1.34 2fh5B1 ILE 258 HG13 0.05 0.03 -0.20 -0.04 1.21 1.05 2fh5B1 ILE 258 HG23 0.03 0.00 -0.22 -0.04 0.93 0.70 2fh5B1 ILE 258 HD13 0.03 0.04 -0.17 -0.04 0.88 0.74 2fh5B1 GLN 259 H 0.04 0.14 -0.06 -0.55 8.47 8.05 2fh5B1 GLN 259 HA 0.05 0.16 0.39 -0.75 4.36 4.21 2fh5B1 GLN 259 HB2 0.03 -0.06 0.12 -0.04 2.15 2.20 2fh5B1 GLN 259 HB3 0.04 0.08 -0.02 -0.04 2.02 2.08 2fh5B1 GLN 259 HG2 0.03 -0.07 0.08 -0.04 2.40 2.40 2fh5B1 GLN 259 HG3 0.03 0.06 0.04 -0.04 2.39 2.48 2fh5B1 GLN 259 HE21 0.03 0.08 -0.01 -0.04 6.97 7.04 2fh5B1 GLN 259 HE22 0.04 -0.05 -0.02 -0.04 7.69 7.62 2fh5B1 ASP 260 H 0.04 0.13 -0.07 -0.55 8.40 7.96 2fh5B1 ASP 260 HA 0.07 0.12 0.42 -0.75 4.63 4.49 2fh5B1 ASP 260 HB2 0.02 0.07 0.10 -0.04 2.71 2.86 2fh5B1 ASP 260 HB3 0.04 0.04 0.00 -0.04 2.70 2.74 2fh5B1 LEU 261 H 0.05 0.06 -0.37 -0.55 8.37 7.57 2fh5B1 LEU 261 HA 0.09 0.05 0.31 -0.75 4.35 4.05 2fh5B1 LEU 261 HB2 0.02 -0.06 -0.04 -0.04 1.64 1.52 2fh5B1 LEU 261 HB3 0.06 0.13 0.04 -0.04 1.64 1.83 2fh5B1 LEU 261 HG 0.12 0.08 -0.32 -0.04 1.64 1.48 2fh5B1 LEU 261 HD13 0.01 -0.01 -0.12 -0.04 0.93 0.77 2fh5B1 LEU 261 HD23 0.11 -0.01 -0.14 -0.04 0.89 0.82 2fh5B1 GLU 262 H 0.11 0.53 -0.11 -0.55 8.60 8.57 2fh5B1 GLU 262 HA 0.19 0.06 0.43 -0.75 4.29 4.21 2fh5B1 GLU 262 HB2 0.11 0.07 0.08 -0.04 2.09 2.31 2fh5B1 GLU 262 HB3 0.19 -0.01 0.05 -0.04 1.99 2.18 2fh5B1 GLU 262 HG2 0.14 -0.02 -0.02 -0.04 2.34 2.40 2fh5B1 GLU 262 HG3 0.09 0.21 0.04 -0.04 2.34 2.64 2fh5B1 LYS 263 H 0.12 0.41 -0.29 -0.55 8.42 8.11 2fh5B1 LYS 263 HA 0.08 0.03 0.44 -0.75 4.32 4.11 2fh5B1 LYS 263 HB2 0.10 0.05 0.22 -0.04 1.87 2.19 2fh5B1 LYS 263 HB3 0.11 0.01 0.02 -0.04 1.79 1.89 2fh5B1 LYS 263 HG2 0.05 -0.01 0.03 -0.04 1.46 1.49 2fh5B1 LYS 263 HG3 0.06 0.00 0.01 -0.04 1.46 1.49 2fh5B1 LYS 263 HD2 0.05 -0.06 -0.04 -0.04 1.69 1.60 2fh5B1 LYS 263 HD3 0.06 0.01 -0.02 -0.04 1.68 1.68 2fh5B1 LYS 263 HE2 0.03 0.02 -0.02 -0.04 2.99 2.98 2fh5B1 LYS 263 HE3 0.03 -0.00 -0.03 -0.04 2.99 2.95 2fh5B1 TRP 264 H 0.29 0.64 -0.02 -0.55 7.97 8.33 2fh5B1 TRP 264 HA 0.01 0.02 0.30 -0.75 4.62 4.20 2fh5B1 TRP 264 HB2 -0.01 -0.03 0.02 -0.04 3.23 3.18 2fh5B1 TRP 264 HB3 -0.01 0.04 0.05 -0.04 3.23 3.27 2fh5B1 TRP 264 HD1 -0.02 -0.02 -0.10 -0.04 7.22 7.05 2fh5B1 TRP 264 HE1 -0.04 0.03 -0.20 -0.04 10.20 9.95 2fh5B1 TRP 264 HE3 -0.04 0.05 -0.29 -0.04 7.59 7.26 2fh5B1 TRP 264 HZ2 -0.07 0.02 -0.44 -0.04 7.44 6.91 2fh5B1 TRP 264 HZ3 -0.14 -0.02 -0.25 -0.04 7.13 6.68 2fh5B1 TRP 264 HH2 -0.12 0.04 -0.27 -0.04 7.19 6.80 2fh5B1 LEU 265 H 0.34 0.60 -0.21 -0.55 8.37 8.56 2fh5B1 LEU 265 HA -0.11 0.04 0.29 -0.75 4.35 3.81 2fh5B1 LEU 265 HB2 0.22 0.03 0.10 -0.04 1.64 1.95 2fh5B1 LEU 265 HB3 0.21 -0.00 -0.11 -0.04 1.64 1.69 2fh5B1 LEU 265 HG 0.45 -0.01 -0.07 -0.04 1.64 1.97 2fh5B1 LEU 265 HD13 -0.02 -0.03 -0.17 -0.04 0.93 0.68 2fh5B1 LEU 265 HD23 0.18 -0.00 -0.13 -0.04 0.89 0.90 2fh5B1 ALA 266 H 0.09 0.51 -0.33 -0.55 8.40 8.13 2fh5B1 ALA 266 HA 0.02 -0.06 0.43 -0.75 4.34 3.97 2fh5B1 ALA 266 HB3 0.03 0.01 0.15 -0.04 1.41 1.56 2fh5B1 LYS 267 H -0.06 0.59 -0.04 -0.55 8.42 8.36 2fh5B1 LYS 267 HA -0.09 -0.03 0.34 -0.75 4.32 3.79 2fh5B1 LYS 267 HB2 -0.05 -0.09 0.06 -0.04 1.87 1.75 2fh5B1 LYS 267 HB3 -0.15 0.06 0.14 -0.04 1.79 1.80 2fh5B1 LYS 267 HG2 -0.23 0.09 -0.33 -0.04 1.46 0.94 2fh5B1 LYS 267 HG3 -0.08 -0.04 0.00 -0.04 1.46 1.30 2fh5B1 LYS 267 HD2 0.01 -0.06 -0.04 -0.04 1.69 1.56 2fh5B1 LYS 267 HD3 -0.00 -0.05 -0.06 -0.04 1.68 1.54 2fh5B1 LYS 267 HE2 -0.04 0.03 -0.09 -0.04 2.99 2.85 2fh5B1 LYS 267 HE3 -0.02 0.01 -0.05 -0.04 2.99 2.90 2fh5B1 ILE 268 H -0.41 0.35 -0.45 -0.55 8.25 7.18 2fh5B1 ILE 268 HA -0.27 0.17 0.83 -0.75 4.18 4.16 2fh5B1 ILE 268 HB -0.44 0.01 0.08 -0.04 1.89 1.49 2fh5B1 ILE 268 HG12 -1.56 -0.16 -0.16 -0.04 1.49 -0.43 2fh5B1 ILE 268 HG13 -0.63 0.19 0.00 -0.04 1.21 0.73 2fh5B1 ILE 268 HG23 -1.13 0.01 -0.13 -0.04 0.93 -0.36 2fh5B1 ILE 268 HD13 -0.24 -0.02 -0.40 -0.04 0.88 0.19 2fh5B1 ALA 269 H -0.14 0.37 -0.33 -0.55 8.40 7.75 2fh5B1 ALA 269 HA -0.07 0.11 0.15 -0.75 4.34 3.78 2fh5B1 ALA 269 HB3 -0.03 0.01 0.03 -0.04 1.41 1.38