============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 5 0.840 89.892 98.278 15.218 -99.200 -91.000 TYR 6 0.840 88.346 90.335 10.792 -99.200 -91.000 HIS 18 0.900 83.816 112.777 4.475 -99.200 -91.000 HIS 21 0.900 80.652 100.128 -0.912 -99.200 -91.000 PHE 24 1.000 79.019 107.408 14.109 -99.200 -91.000 TYR 31 0.840 82.053 107.256 9.605 -99.200 -91.000 PHE 36 1.000 81.236 92.523 1.024 -99.200 -91.000 TYR 38 0.840 91.899 94.796 3.337 -99.200 -91.000 TYR 44 0.840 87.862 106.687 0.255 -99.200 -91.000 PHE 45 1.000 91.561 104.775 4.021 -99.200 -91.000 PHE 52 1.000 95.616 103.283 3.262 -99.200 -91.000 TYR 64 0.840 108.328 84.217 -6.820 -99.200 -91.000 PHE 65 1.000 103.214 79.184 -2.589 -99.200 -91.000 TYR 74 0.840 89.735 73.265 -21.341 -99.200 -91.000 TRP 82 1.040 89.672 84.973 -10.850 -99.200 -91.000 TRP6 82 1.020 91.732 84.812 -9.698 -99.200 -91.000 HIS 100 0.900 96.002 70.643 -13.776 -99.200 -91.000 TRP 126 1.040 90.313 70.743 -3.341 -99.200 -91.000 TRP6 126 1.020 90.841 72.500 -4.838 -99.200 -91.000 PHE 133 1.000 101.453 75.620 -5.083 -99.200 -91.000 TYR 137 0.840 106.221 76.678 2.317 -99.200 -91.000 PHE 141 1.000 90.565 76.805 11.351 -99.200 -91.000 TYR 156 0.840 81.423 75.788 0.463 -99.200 -91.000 TYR 160 0.840 77.849 79.663 9.300 -99.200 -91.000 PHE 170 1.000 93.813 81.866 5.246 -99.200 -91.000 PHE 175 1.000 84.045 81.165 -1.261 -99.200 -91.000 HIS 179 0.900 77.801 68.244 -7.821 -99.200 -91.000 HIS 180 0.900 77.256 77.578 -7.877 -99.200 -91.000 TYR 186 0.840 79.296 82.236 -2.814 -99.200 -91.000 PHE 197 1.000 94.429 89.650 -4.675 -99.200 -91.000 PHE 205 1.000 80.040 67.532 -19.166 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fz4A1 ILE 24 HA -0.01 -0.08 0.21 -0.75 4.18 3.55 2fz4A1 ILE 24 HB -0.01 -0.03 0.01 -0.04 1.89 1.82 2fz4A1 ILE 24 HG12 -0.03 -0.03 -0.14 -0.04 1.49 1.26 2fz4A1 ILE 24 HG13 -0.03 0.16 -0.31 -0.04 1.21 0.99 2fz4A1 ILE 24 HG23 0.00 -0.01 -0.07 -0.04 0.93 0.81 2fz4A1 ILE 24 HD13 -0.05 -0.03 -0.10 -0.04 0.88 0.66 2fz4A1 ALA 25 H -0.05 0.22 0.16 -0.55 8.40 8.18 2fz4A1 ALA 25 HA -0.00 0.19 0.78 -0.75 4.34 4.55 2fz4A1 ALA 25 HB3 -0.32 0.09 0.24 -0.04 1.41 1.38 2fz4A1 GLU 26 H 0.07 0.66 0.46 -0.55 8.60 9.25 2fz4A1 GLU 26 HA 0.11 0.07 0.99 -0.75 4.29 4.71 2fz4A1 GLU 26 HB2 0.09 -0.02 0.13 -0.04 2.09 2.25 2fz4A1 GLU 26 HB3 0.06 0.06 -0.17 -0.04 1.99 1.90 2fz4A1 GLU 26 HG2 0.14 -0.06 -0.01 -0.04 2.34 2.37 2fz4A1 GLU 26 HG3 0.22 0.04 -0.57 -0.04 2.34 1.98 2fz4A1 ILE 27 H 0.20 0.61 0.48 -0.55 8.25 8.99 2fz4A1 ILE 27 HA 0.14 0.46 1.21 -0.75 4.18 5.23 2fz4A1 ILE 27 HB 0.13 0.03 0.05 -0.04 1.89 2.06 2fz4A1 ILE 27 HG12 0.28 0.09 0.12 -0.04 1.49 1.94 2fz4A1 ILE 27 HG13 0.25 -0.20 -0.09 -0.04 1.21 1.13 2fz4A1 ILE 27 HG23 0.23 -0.01 -0.22 -0.04 0.93 0.89 2fz4A1 ILE 27 HD13 0.24 0.01 -0.09 -0.04 0.88 1.01 2fz4A1 TYR 28 H -0.07 0.52 0.37 -0.55 8.29 8.56 2fz4A1 TYR 28 HA 0.11 0.04 -0.10 -0.75 4.56 3.85 2fz4A1 TYR 28 HB2 0.06 0.16 0.10 -0.04 3.06 3.34 2fz4A1 TYR 28 HB3 0.06 0.01 -0.14 -0.04 2.98 2.87 2fz4A1 TYR 28 HD2 0.04 0.09 -0.21 -0.04 7.15 7.02 2fz4A1 TYR 28 HE2 0.00 -0.01 -0.13 -0.04 6.85 6.67 2fz4A1 TYR 29 H 0.34 0.37 0.22 -0.55 8.29 8.67 2fz4A1 TYR 29 HA -0.05 0.33 1.16 -0.75 4.56 5.24 2fz4A1 TYR 29 HB2 -0.02 -0.06 -0.03 -0.04 3.06 2.91 2fz4A1 TYR 29 HB3 0.02 0.17 0.19 -0.04 2.98 3.32 2fz4A1 TYR 29 HD2 -0.02 0.02 -0.21 -0.04 7.15 6.90 2fz4A1 TYR 29 HE2 -0.02 0.18 -0.03 -0.04 6.85 6.94 2fz4A1 GLU 30 H -0.77 0.58 0.31 -0.55 8.60 8.18 2fz4A1 GLU 30 HA -0.35 0.02 0.45 -0.75 4.29 3.65 2fz4A1 GLU 30 HB2 -0.07 -0.06 0.03 -0.04 2.09 1.95 2fz4A1 GLU 30 HB3 0.04 0.26 0.11 -0.04 1.99 2.36 2fz4A1 GLU 30 HG2 -0.19 0.01 -0.35 -0.04 2.34 1.77 2fz4A1 GLU 30 HG3 -0.18 -0.03 -0.12 -0.04 2.34 1.97 2fz4A1 ARG 31 H -0.21 0.19 0.16 -0.55 8.46 8.05 2fz4A1 ARG 31 HA -0.11 -0.00 0.35 -0.75 4.34 3.83 2fz4A1 ARG 31 HB2 -0.13 0.17 -0.09 -0.04 1.90 1.80 2fz4A1 ARG 31 HB3 -0.09 -0.00 0.17 -0.04 1.80 1.85 2fz4A1 ARG 31 HG2 -0.08 -0.05 -0.15 -0.04 1.67 1.35 2fz4A1 ARG 31 HG3 -0.06 0.02 -0.07 -0.04 1.67 1.52 2fz4A1 ARG 31 HD2 -0.04 0.00 0.03 -0.04 3.22 3.18 2fz4A1 ARG 31 HD3 -0.05 -0.03 0.09 -0.04 3.22 3.19 2fz4A1 GLY 32 H -0.65 0.03 -0.34 -0.55 8.43 6.93 2fz4A1 GLY 32 HA2 0.10 0.20 0.33 -0.51 4.01 4.13 2fz4A1 GLY 32 HA3 -0.02 0.04 0.49 -0.51 4.01 4.01 2fz4A1 THR 33 H -0.45 0.43 -0.13 -0.55 8.28 7.58 2fz4A1 THR 33 HA -0.06 0.11 1.02 -0.75 4.39 4.70 2fz4A1 THR 33 HB -0.11 0.02 -0.00 -0.04 4.32 4.19 2fz4A1 THR 33 HG23 -0.07 -0.01 -0.23 -0.04 1.22 0.87 2fz4A1 ILE 34 H -0.07 0.83 0.24 -0.55 8.25 8.70 2fz4A1 ILE 34 HA -0.06 0.25 0.92 -0.75 4.18 4.55 2fz4A1 ILE 34 HB -0.04 -0.04 0.00 -0.04 1.89 1.77 2fz4A1 ILE 34 HG12 0.05 0.00 -0.25 -0.04 1.49 1.26 2fz4A1 ILE 34 HG13 0.12 -0.02 -0.13 -0.04 1.21 1.14 2fz4A1 ILE 34 HG23 0.01 -0.02 -0.27 -0.04 0.93 0.61 2fz4A1 ILE 34 HD13 0.17 0.01 -0.20 -0.04 0.88 0.82 2fz4A1 VAL 35 H -0.35 0.71 0.35 -0.55 8.24 8.40 2fz4A1 VAL 35 HA -0.19 0.26 1.05 -0.75 4.13 4.49 2fz4A1 VAL 35 HB -1.32 -0.06 0.07 -0.04 2.12 0.76 2fz4A1 VAL 35 HG13 -0.15 0.02 -0.18 -0.04 0.97 0.61 2fz4A1 VAL 35 HG23 -0.35 -0.00 -0.16 -0.04 0.95 0.40 2fz4A1 VAL 36 H -0.03 0.52 0.15 -0.55 8.24 8.32 2fz4A1 VAL 36 HA 0.06 0.30 1.16 -0.75 4.13 4.89 2fz4A1 VAL 36 HB 0.00 -0.02 -0.14 -0.04 2.12 1.92 2fz4A1 VAL 36 HG13 -0.00 -0.02 -0.15 -0.04 0.97 0.75 2fz4A1 VAL 36 HG23 0.04 0.01 -0.25 -0.04 0.95 0.71 2fz4A1 LYS 37 H 0.12 0.71 0.36 -0.55 8.42 9.05 2fz4A1 LYS 37 HA 0.12 0.11 0.86 -0.75 4.32 4.65 2fz4A1 LYS 37 HB2 0.12 0.02 0.14 -0.04 1.87 2.11 2fz4A1 LYS 37 HB3 0.09 0.02 0.04 -0.04 1.79 1.90 2fz4A1 LYS 37 HG2 0.11 0.04 -0.04 -0.04 1.46 1.52 2fz4A1 LYS 37 HG3 0.16 -0.04 -0.27 -0.04 1.46 1.27 2fz4A1 LYS 37 HD2 0.17 -0.01 -0.08 -0.04 1.69 1.74 2fz4A1 LYS 37 HD3 0.10 0.01 -0.03 -0.04 1.68 1.71 2fz4A1 LYS 37 HE2 0.36 -0.02 -0.11 -0.04 2.99 3.18 2fz4A1 LYS 37 HE3 0.13 -0.02 -0.06 -0.04 2.99 2.99 2fz4A1 GLY 38 H 0.09 0.17 0.11 -0.55 8.43 8.26 2fz4A1 GLY 38 HA2 0.05 0.04 0.26 -0.51 4.01 3.84 2fz4A1 GLY 38 HA3 0.05 0.15 0.82 -0.51 4.01 4.52 2fz4A1 ASP 39 H 0.08 0.14 0.05 -0.55 8.40 8.11 2fz4A1 ASP 39 HA -0.01 -0.04 0.31 -0.75 4.63 4.14 2fz4A1 ASP 39 HB2 0.30 0.06 0.09 -0.04 2.71 3.12 2fz4A1 ASP 39 HB3 0.22 0.03 -0.02 -0.04 2.70 2.89 2fz4A1 ALA 40 H -0.40 0.09 0.12 -0.55 8.40 7.66 2fz4A1 ALA 40 HA -0.98 0.24 0.83 -0.75 4.34 3.68 2fz4A1 ALA 40 HB3 -0.19 0.01 0.10 -0.04 1.41 1.28 2fz4A1 HIS 41 H -0.36 0.04 -0.29 -0.55 8.41 7.26 2fz4A1 HIS 41 HA -0.17 0.26 0.83 -0.75 4.63 4.80 2fz4A1 HIS 41 HB2 0.01 0.01 0.08 -0.04 3.26 3.32 2fz4A1 HIS 41 HB3 -0.05 0.02 0.12 -0.04 3.20 3.25 2fz4A1 HIS 41 HD2 -0.01 0.09 -0.12 -0.04 6.97 6.88 2fz4A1 HIS 41 HE1 0.02 0.02 -0.03 -0.04 7.75 7.70 2fz4A1 VAL 42 H -0.44 0.17 -0.32 -0.55 8.24 7.10 2fz4A1 VAL 42 HA -1.08 0.15 0.54 -0.75 4.13 2.99 2fz4A1 VAL 42 HB -0.50 -0.01 -0.07 -0.04 2.12 1.49 2fz4A1 VAL 42 HG13 -0.35 -0.01 -0.12 -0.04 0.97 0.45 2fz4A1 VAL 42 HG23 -0.54 0.02 -0.20 -0.04 0.95 0.19 2fz4A1 PRO 43 HA -0.37 -0.02 0.42 -0.51 4.44 3.96 2fz4A1 PRO 43 HB2 -0.31 0.02 -0.02 -0.04 2.28 1.93 2fz4A1 PRO 43 HB3 -0.46 0.00 0.03 -0.04 2.02 1.55 2fz4A1 PRO 43 HG2 -0.25 0.07 0.05 -0.04 2.03 1.86 2fz4A1 PRO 43 HG3 -0.30 0.06 0.07 -0.04 2.03 1.82 2fz4A1 PRO 43 HD2 -1.00 0.10 0.14 -0.04 3.68 2.87 2fz4A1 PRO 43 HD3 -1.56 0.23 0.30 -0.04 3.65 2.58 2fz4A1 HIS 44 H -0.36 0.13 0.13 -0.55 8.41 7.77 2fz4A1 HIS 44 HA -0.07 -0.02 0.31 -0.75 4.63 4.09 2fz4A1 HIS 44 HB2 -0.18 0.23 0.07 -0.04 3.26 3.35 2fz4A1 HIS 44 HB3 -0.13 -0.07 0.18 -0.04 3.20 3.14 2fz4A1 HIS 44 HD2 -0.04 -0.01 0.02 -0.04 6.97 6.90 2fz4A1 HIS 44 HE1 -0.05 0.02 -0.06 -0.04 7.75 7.62 2fz4A1 ALA 45 H -0.11 0.30 -0.57 -0.55 8.40 7.47 2fz4A1 ALA 45 HA -0.02 0.22 0.63 -0.75 4.34 4.42 2fz4A1 ALA 45 HB3 -0.08 0.03 -0.19 -0.04 1.41 1.12 2fz4A1 LYS 46 H 0.03 0.67 0.34 -0.55 8.42 8.91 2fz4A1 LYS 46 HA 0.14 0.18 0.93 -0.75 4.32 4.81 2fz4A1 LYS 46 HB2 0.04 -0.02 0.08 -0.04 1.87 1.93 2fz4A1 LYS 46 HB3 0.04 -0.01 -0.04 -0.04 1.79 1.74 2fz4A1 LYS 46 HG2 -0.00 0.18 0.14 -0.04 1.46 1.73 2fz4A1 LYS 46 HG3 -0.02 -0.03 -0.20 -0.04 1.46 1.16 2fz4A1 LYS 46 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.64 2fz4A1 LYS 46 HD3 -0.01 -0.03 -0.03 -0.04 1.68 1.57 2fz4A1 LYS 46 HE2 -0.01 0.03 -0.06 -0.04 2.99 2.91 2fz4A1 LYS 46 HE3 0.02 0.00 -0.01 -0.04 2.99 2.96 2fz4A1 PHE 47 H 0.11 0.12 0.16 -0.55 8.34 8.18 2fz4A1 PHE 47 HA -0.47 0.16 0.55 -0.75 4.62 4.11 2fz4A1 PHE 47 HB2 -0.49 0.05 0.06 -0.04 3.15 2.72 2fz4A1 PHE 47 HB3 -0.19 -0.05 0.09 -0.04 3.06 2.87 2fz4A1 PHE 47 HD2 -0.69 -0.03 -0.26 -0.04 7.28 6.25 2fz4A1 PHE 47 HE2 -0.15 0.03 -0.20 -0.04 7.38 7.02 2fz4A1 PHE 47 HZ -0.10 0.05 -0.12 -0.04 7.32 7.12 2fz4A1 ASP 48 H -0.90 1.03 0.38 -0.55 8.40 8.37 2fz4A1 ASP 48 HA -0.17 0.11 0.88 -0.75 4.63 4.69 2fz4A1 ASP 48 HB2 -0.21 0.12 0.02 -0.04 2.71 2.60 2fz4A1 ASP 48 HB3 -0.34 0.05 0.24 -0.04 2.70 2.61 2fz4A1 SER 49 H -0.02 0.27 0.10 -0.55 8.46 8.26 2fz4A1 SER 49 HA 0.15 0.10 0.38 -0.75 4.49 4.36 2fz4A1 SER 49 HB2 0.07 0.05 0.04 -0.04 3.95 4.07 2fz4A1 SER 49 HB3 0.17 0.04 0.07 -0.04 3.93 4.16 2fz4A1 ARG 50 H -0.08 0.03 -0.26 -0.55 8.46 7.61 2fz4A1 ARG 50 HA -0.02 0.13 0.49 -0.75 4.34 4.17 2fz4A1 ARG 50 HB2 -0.03 0.04 0.04 -0.04 1.90 1.90 2fz4A1 ARG 50 HB3 -0.04 -0.04 0.07 -0.04 1.80 1.75 2fz4A1 ARG 50 HG2 -0.09 -0.17 -0.01 -0.04 1.67 1.35 2fz4A1 ARG 50 HG3 -0.06 0.09 -0.29 -0.04 1.67 1.37 2fz4A1 ARG 50 HD2 -0.04 0.01 -0.04 -0.04 3.22 3.11 2fz4A1 ARG 50 HD3 -0.05 -0.02 -0.02 -0.04 3.22 3.08 2fz4A1 SER 51 H -0.14 0.04 -0.16 -0.55 8.46 7.65 2fz4A1 SER 51 HA -0.05 0.20 0.76 -0.75 4.49 4.65 2fz4A1 SER 51 HB2 -0.07 0.05 -0.04 -0.04 3.95 3.85 2fz4A1 SER 51 HB3 -0.07 -0.02 -0.04 -0.04 3.93 3.76 2fz4A1 GLY 52 H -0.26 0.43 0.07 -0.55 8.43 8.13 2fz4A1 GLY 52 HA2 -0.07 -0.05 0.26 -0.51 4.01 3.64 2fz4A1 GLY 52 HA3 0.00 0.10 0.53 -0.51 4.01 4.13 2fz4A1 THR 53 H -0.64 0.25 0.14 -0.55 8.28 7.48 2fz4A1 THR 53 HA -0.19 0.20 0.80 -0.75 4.39 4.46 2fz4A1 THR 53 HB -0.08 0.15 0.05 -0.04 4.32 4.40 2fz4A1 THR 53 HG23 -0.02 0.03 -0.27 -0.04 1.22 0.92 2fz4A1 TYR 54 H 0.11 0.37 0.24 -0.55 8.29 8.46 2fz4A1 TYR 54 HA -0.13 0.17 0.63 -0.75 4.56 4.48 2fz4A1 TYR 54 HB2 -0.05 0.13 0.11 -0.04 3.06 3.21 2fz4A1 TYR 54 HB3 -0.06 -0.02 -0.15 -0.04 2.98 2.70 2fz4A1 TYR 54 HD2 0.04 0.07 -0.19 -0.04 7.15 7.02 2fz4A1 TYR 54 HE2 0.08 -0.01 0.00 -0.04 6.85 6.89 2fz4A1 ARG 55 H 0.00 0.54 0.36 -0.55 8.46 8.81 2fz4A1 ARG 55 HA -0.08 0.36 0.96 -0.75 4.34 4.82 2fz4A1 ARG 55 HB2 -0.13 -0.01 -0.33 -0.04 1.90 1.38 2fz4A1 ARG 55 HB3 -0.10 -0.05 0.00 -0.04 1.80 1.62 2fz4A1 ARG 55 HG2 -0.08 -0.02 -0.18 -0.04 1.67 1.35 2fz4A1 ARG 55 HG3 -0.13 0.08 -0.08 -0.04 1.67 1.50 2fz4A1 ARG 55 HD2 -0.09 -0.06 -0.11 -0.04 3.22 2.92 2fz4A1 ARG 55 HD3 -0.10 0.02 -0.12 -0.04 3.22 2.98 2fz4A1 ALA 56 H -0.08 0.56 0.34 -0.55 8.40 8.67 2fz4A1 ALA 56 HA -0.05 0.13 0.83 -0.75 4.34 4.49 2fz4A1 ALA 56 HB3 -0.10 -0.00 -0.06 -0.04 1.41 1.20 2fz4A1 LEU 57 H -0.08 0.13 0.20 -0.55 8.37 8.08 2fz4A1 LEU 57 HA 0.01 0.15 0.60 -0.75 4.35 4.36 2fz4A1 LEU 57 HB2 0.02 -0.07 0.19 -0.04 1.64 1.74 2fz4A1 LEU 57 HB3 0.34 0.18 0.15 -0.04 1.64 2.27 2fz4A1 LEU 57 HG 0.21 0.01 0.07 -0.04 1.64 1.88 2fz4A1 LEU 57 HD13 0.03 0.01 0.03 -0.04 0.93 0.97 2fz4A1 LEU 57 HD23 0.13 -0.02 0.07 -0.04 0.89 1.03 2fz4A1 ALA 58 H 0.08 0.60 0.33 -0.55 8.40 8.87 2fz4A1 ALA 58 HA 0.08 -0.04 0.16 -0.75 4.34 3.79 2fz4A1 ALA 58 HB3 0.21 -0.06 -0.46 -0.04 1.41 1.06 2fz4A1 PHE 59 H 0.38 0.33 -0.18 -0.55 8.34 8.32 2fz4A1 PHE 59 HA 0.04 0.30 0.40 -0.75 4.62 4.61 2fz4A1 PHE 59 HB2 0.02 -0.02 0.02 -0.04 3.15 3.14 2fz4A1 PHE 59 HB3 0.02 0.12 0.07 -0.04 3.06 3.23 2fz4A1 PHE 59 HD2 -0.02 0.17 -0.02 -0.04 7.28 7.37 2fz4A1 PHE 59 HE2 -0.07 -0.04 -0.02 -0.04 7.38 7.21 2fz4A1 PHE 59 HZ -0.09 -0.04 -0.02 -0.04 7.32 7.13 2fz4A1 ARG 60 H -0.50 0.43 -0.57 -0.55 8.46 7.26 2fz4A1 ARG 60 HA -0.44 0.02 0.42 -0.75 4.34 3.59 2fz4A1 ARG 60 HB2 -0.63 -0.00 0.05 -0.04 1.90 1.28 2fz4A1 ARG 60 HB3 -0.25 0.05 -0.11 -0.04 1.80 1.45 2fz4A1 ARG 60 HG2 -0.15 0.07 -0.01 -0.04 1.67 1.53 2fz4A1 ARG 60 HG3 -0.16 -0.08 0.03 -0.04 1.67 1.42 2fz4A1 ARG 60 HD2 -0.70 -0.03 -0.04 -0.04 3.22 2.40 2fz4A1 ARG 60 HD3 -0.64 0.02 -0.04 -0.04 3.22 2.52 2fz4A1 TYR 61 H 0.05 0.63 -0.46 -0.55 8.29 7.95 2fz4A1 TYR 61 HA -0.09 -0.06 0.27 -0.75 4.56 3.92 2fz4A1 TYR 61 HB2 -0.02 0.05 0.12 -0.04 3.06 3.17 2fz4A1 TYR 61 HB3 -0.04 0.24 0.15 -0.04 2.98 3.29 2fz4A1 TYR 61 HD2 -0.03 0.08 -0.07 -0.04 7.15 7.09 2fz4A1 TYR 61 HE2 0.00 -0.06 -0.05 -0.04 6.85 6.71 2fz4A1 ARG 62 H 0.07 0.37 -0.18 -0.55 8.46 8.16 2fz4A1 ARG 62 HA -0.24 0.01 0.42 -0.75 4.34 3.77 2fz4A1 ARG 62 HB2 0.00 0.10 0.17 -0.04 1.90 2.13 2fz4A1 ARG 62 HB3 -0.01 0.03 0.11 -0.04 1.80 1.90 2fz4A1 ARG 62 HG2 -0.03 -0.07 -0.16 -0.04 1.67 1.38 2fz4A1 ARG 62 HG3 -0.06 -0.08 0.09 -0.04 1.67 1.58 2fz4A1 ARG 62 HD2 -0.08 0.06 0.16 -0.04 3.22 3.32 2fz4A1 ARG 62 HD3 0.02 0.04 0.11 -0.04 3.22 3.34 2fz4A1 ASP 63 H -0.10 0.23 -0.23 -0.55 8.40 7.74 2fz4A1 ASP 63 HA -0.06 0.02 0.39 -0.75 4.63 4.23 2fz4A1 ASP 63 HB2 -0.08 0.16 0.10 -0.04 2.71 2.85 2fz4A1 ASP 63 HB3 -0.00 -0.04 -0.05 -0.04 2.70 2.56 2fz4A1 ILE 64 H -0.22 0.58 -0.16 -0.55 8.25 7.90 2fz4A1 ILE 64 HA -0.39 0.02 0.40 -0.75 4.18 3.45 2fz4A1 ILE 64 HB -0.30 0.12 0.03 -0.04 1.89 1.70 2fz4A1 ILE 64 HG12 -0.30 0.01 -0.11 -0.04 1.49 1.05 2fz4A1 ILE 64 HG13 -0.21 0.24 -0.06 -0.04 1.21 1.14 2fz4A1 ILE 64 HG23 -0.57 -0.03 -0.14 -0.04 0.93 0.14 2fz4A1 ILE 64 HD13 -0.14 -0.03 -0.24 -0.04 0.88 0.43 2fz4A1 ILE 65 H -0.36 0.58 -0.16 -0.55 8.25 7.76 2fz4A1 ILE 65 HA -0.30 0.00 0.44 -0.75 4.18 3.58 2fz4A1 ILE 65 HB -0.27 0.15 0.21 -0.04 1.89 1.94 2fz4A1 ILE 65 HG12 -0.97 0.34 0.04 -0.04 1.49 0.86 2fz4A1 ILE 65 HG13 -0.79 -0.01 -0.03 -0.04 1.21 0.34 2fz4A1 ILE 65 HG23 0.04 -0.02 -0.12 -0.04 0.93 0.79 2fz4A1 ILE 65 HD13 -0.12 -0.04 -0.06 -0.04 0.88 0.63 2fz4A1 GLU 66 H -0.12 0.67 0.04 -0.55 8.60 8.64 2fz4A1 GLU 66 HA -0.01 -0.03 0.36 -0.75 4.29 3.86 2fz4A1 GLU 66 HB2 -0.03 0.08 0.06 -0.04 2.09 2.16 2fz4A1 GLU 66 HB3 -0.01 -0.06 0.10 -0.04 1.99 1.98 2fz4A1 GLU 66 HG2 -0.01 -0.06 0.06 -0.04 2.34 2.29 2fz4A1 GLU 66 HG3 -0.06 0.39 0.16 -0.04 2.34 2.79 2fz4A1 TYR 67 H -0.08 0.24 -0.86 -0.55 8.29 7.05 2fz4A1 TYR 67 HA -0.11 0.02 0.55 -0.75 4.56 4.27 2fz4A1 TYR 67 HB2 -0.21 -0.01 0.09 -0.04 3.06 2.88 2fz4A1 TYR 67 HB3 -0.42 0.15 0.20 -0.04 2.98 2.86 2fz4A1 TYR 67 HD2 -0.55 0.04 -0.07 -0.04 7.15 6.52 2fz4A1 TYR 67 HE2 -0.08 -0.04 -0.05 -0.04 6.85 6.63 2fz4A1 PHE 68 H -0.21 0.50 0.01 -0.55 8.34 8.10 2fz4A1 PHE 68 HA -0.25 -0.02 0.43 -0.75 4.62 4.03 2fz4A1 PHE 68 HB2 -1.15 0.08 0.24 -0.04 3.15 2.28 2fz4A1 PHE 68 HB3 -0.74 0.10 -0.08 -0.04 3.06 2.30 2fz4A1 PHE 68 HD2 -0.76 -0.03 -0.08 -0.04 7.28 6.37 2fz4A1 PHE 68 HE2 -0.05 -0.07 -0.13 -0.04 7.38 7.09 2fz4A1 PHE 68 HZ -0.06 -0.01 -0.11 -0.04 7.32 7.10 2fz4A1 GLU 69 H 0.16 0.54 0.06 -0.55 8.60 8.81 2fz4A1 GLU 69 HA 0.24 0.04 0.33 -0.75 4.29 4.15 2fz4A1 GLU 69 HB2 0.10 0.02 0.05 -0.04 2.09 2.21 2fz4A1 GLU 69 HB3 0.10 -0.02 -0.04 -0.04 1.99 1.99 2fz4A1 GLU 69 HG2 0.26 -0.02 0.02 -0.04 2.34 2.56 2fz4A1 GLU 69 HG3 0.47 0.05 0.05 -0.04 2.34 2.87 2fz4A1 SER 70 H -0.01 0.39 -0.35 -0.55 8.46 7.94 2fz4A1 SER 70 HA -0.01 -0.02 0.39 -0.75 4.49 4.10 2fz4A1 SER 70 HB2 -0.03 -0.12 0.11 -0.04 3.95 3.86 2fz4A1 SER 70 HB3 -0.03 0.39 0.26 -0.04 3.93 4.50 2fz4A1 ASN 71 H -0.14 0.46 -0.30 -0.55 8.53 8.01 2fz4A1 ASN 71 HA -0.08 0.09 0.72 -0.75 4.76 4.74 2fz4A1 ASN 71 HB2 -0.28 0.10 0.16 -0.04 2.88 2.81 2fz4A1 ASN 71 HB3 -0.13 -0.10 0.20 -0.04 2.79 2.71 2fz4A1 ASN 71 HD21 -0.50 -0.09 0.04 -0.04 7.03 6.43 2fz4A1 ASN 71 HD22 -1.23 0.06 0.05 -0.04 7.74 6.57 2fz4A1 GLY 72 H 0.01 0.51 -0.57 -0.55 8.43 7.84 2fz4A1 GLY 72 HA2 0.04 0.04 0.29 -0.51 4.01 3.86 2fz4A1 GLY 72 HA3 0.01 -0.07 0.32 -0.51 4.01 3.76 2fz4A1 ILE 73 H 0.09 0.53 -0.36 -0.55 8.25 7.96 2fz4A1 ILE 73 HA 0.04 0.04 0.62 -0.75 4.18 4.13 2fz4A1 ILE 73 HB 0.25 -0.05 0.07 -0.04 1.89 2.12 2fz4A1 ILE 73 HG12 0.04 -0.01 -0.01 -0.04 1.49 1.47 2fz4A1 ILE 73 HG13 -0.02 0.11 -0.08 -0.04 1.21 1.17 2fz4A1 ILE 73 HG23 0.04 0.00 -0.08 -0.04 0.93 0.84 2fz4A1 ILE 73 HD13 0.06 -0.03 -0.01 -0.04 0.88 0.85 2fz4A1 GLU 74 H 0.00 0.09 0.21 -0.55 8.60 8.35 2fz4A1 GLU 74 HA -0.12 0.10 0.58 -0.75 4.29 4.10 2fz4A1 GLU 74 HB2 -0.04 -0.06 0.18 -0.04 2.09 2.13 2fz4A1 GLU 74 HB3 -0.09 0.02 0.02 -0.04 1.99 1.90 2fz4A1 GLU 74 HG2 -0.03 0.08 0.05 -0.04 2.34 2.40 2fz4A1 GLU 74 HG3 -0.04 -0.03 0.05 -0.04 2.34 2.28 2fz4A1 PHE 75 H -0.50 0.24 0.22 -0.55 8.34 7.74 2fz4A1 PHE 75 HA -0.24 0.36 0.68 -0.75 4.62 4.67 2fz4A1 PHE 75 HB2 -0.48 -0.03 -0.16 -0.04 3.15 2.44 2fz4A1 PHE 75 HB3 -1.11 0.03 -0.25 -0.04 3.06 1.69 2fz4A1 PHE 75 HD2 -0.18 0.07 -0.46 -0.04 7.28 6.67 2fz4A1 PHE 75 HE2 0.08 0.02 -0.13 -0.04 7.38 7.30 2fz4A1 PHE 75 HZ 0.08 -0.02 0.01 -0.04 7.32 7.35 2fz4A1 VAL 76 H 0.06 0.69 0.52 -0.55 8.24 8.96 2fz4A1 VAL 76 HA -0.03 0.14 0.95 -0.75 4.13 4.44 2fz4A1 VAL 76 HB 0.05 -0.03 0.20 -0.04 2.12 2.30 2fz4A1 VAL 76 HG13 0.03 -0.01 -0.18 -0.04 0.97 0.78 2fz4A1 VAL 76 HG23 -0.02 0.01 -0.08 -0.04 0.95 0.82 2fz4A1 ASP 77 H 0.07 0.22 0.13 -0.55 8.40 8.28 2fz4A1 ASP 77 HA 0.24 0.10 0.95 -0.75 4.63 5.17 2fz4A1 ASP 77 HB2 0.25 0.03 0.05 -0.04 2.71 3.00 2fz4A1 ASP 77 HB3 0.13 0.07 0.26 -0.04 2.70 3.12 2fz4A1 ASN 78 H 0.18 0.78 0.35 -0.55 8.53 9.30 2fz4A1 ASN 78 HA 0.08 0.19 0.81 -0.75 4.76 5.09 2fz4A1 ASN 78 HB2 0.21 0.11 0.15 -0.04 2.88 3.31 2fz4A1 ASN 78 HB3 0.07 -0.04 0.21 -0.04 2.79 2.99 2fz4A1 ASN 78 HD21 0.04 -0.03 -0.07 -0.04 7.03 6.92 2fz4A1 ASN 78 HD22 0.10 0.02 -0.09 -0.04 7.74 7.73 2fz4A1 ALA 79 H 0.19 -0.03 -0.25 -0.55 8.40 7.76 2fz4A1 ALA 79 HA 0.19 -0.07 0.66 -0.75 4.34 4.36 2fz4A1 ALA 79 HB3 0.20 -0.01 -0.16 -0.04 1.41 1.40 2fz4A1 ALA 80 H 0.06 -0.01 -0.04 -0.55 8.40 7.87 2fz4A1 ALA 80 HA -0.25 0.12 0.48 -0.75 4.34 3.93 2fz4A1 ALA 80 HB3 -0.13 0.00 0.02 -0.04 1.41 1.27 2fz4A1 ASP 81 H -0.19 0.68 0.15 -0.55 8.40 8.50 2fz4A1 ASP 81 HA -0.07 0.11 0.69 -0.75 4.63 4.61 2fz4A1 ASP 81 HB2 -0.07 0.05 -0.19 -0.04 2.71 2.45 2fz4A1 ASP 81 HB3 -0.14 -0.05 0.03 -0.04 2.70 2.50 2fz4A1 PRO 82 HA -0.19 0.12 0.35 -0.51 4.44 4.21 2fz4A1 PRO 82 HB2 -0.05 -0.01 -0.06 -0.04 2.28 2.12 2fz4A1 PRO 82 HB3 -0.06 0.03 -0.00 -0.04 2.02 1.95 2fz4A1 PRO 82 HG2 -0.02 0.01 -0.05 -0.04 2.03 1.93 2fz4A1 PRO 82 HG3 -0.08 0.00 -0.10 -0.04 2.03 1.82 2fz4A1 PRO 82 HD2 -0.05 0.10 -0.02 -0.04 3.68 3.66 2fz4A1 PRO 82 HD3 -0.07 0.06 -0.88 -0.04 3.65 2.72 2fz4A1 ILE 83 H -0.26 0.36 0.27 -0.55 8.25 8.08 2fz4A1 ILE 83 HA -0.11 0.08 0.56 -0.75 4.18 3.96 2fz4A1 ILE 83 HB -0.18 -0.05 0.08 -0.04 1.89 1.71 2fz4A1 ILE 83 HG12 -0.20 -0.01 -0.00 -0.04 1.49 1.23 2fz4A1 ILE 83 HG13 -0.47 0.14 0.14 -0.04 1.21 0.98 2fz4A1 ILE 83 HG23 -0.02 0.00 -0.30 -0.04 0.93 0.57 2fz4A1 ILE 83 HD13 -0.38 -0.02 -0.21 -0.04 0.88 0.23 2fz4A1 PRO 84 HA -0.04 0.00 0.42 -0.51 4.44 4.32 2fz4A1 PRO 84 HB2 -0.00 -0.02 0.01 -0.04 2.28 2.23 2fz4A1 PRO 84 HB3 -0.02 0.01 0.10 -0.04 2.02 2.07 2fz4A1 PRO 84 HG2 0.01 0.00 0.14 -0.04 2.03 2.14 2fz4A1 PRO 84 HG3 -0.00 -0.01 0.10 -0.04 2.03 2.07 2fz4A1 PRO 84 HD2 -0.04 0.05 0.24 -0.04 3.68 3.89 2fz4A1 PRO 84 HD3 -0.04 0.19 0.22 -0.04 3.65 3.98 2fz4A1 THR 85 H -0.07 0.17 0.24 -0.55 8.28 8.07 2fz4A1 THR 85 HA -0.15 0.14 0.94 -0.75 4.39 4.57 2fz4A1 THR 85 HB -0.11 0.08 0.02 -0.04 4.32 4.26 2fz4A1 THR 85 HG23 -0.21 0.04 -0.28 -0.04 1.22 0.72 2fz4A1 PRO 86 HA -0.21 0.04 0.46 -0.51 4.44 4.22 2fz4A1 PRO 86 HB2 -0.35 0.07 0.02 -0.04 2.28 1.98 2fz4A1 PRO 86 HB3 -0.27 -0.03 0.07 -0.04 2.02 1.75 2fz4A1 PRO 86 HG2 -1.29 0.05 -0.13 -0.04 2.03 0.61 2fz4A1 PRO 86 HG3 -1.76 -0.00 0.01 -0.04 2.03 0.23 2fz4A1 PRO 86 HD2 -0.51 0.11 0.17 -0.04 3.68 3.40 2fz4A1 PRO 86 HD3 -0.41 0.14 0.13 -0.04 3.65 3.47 2fz4A1 TYR 87 H -0.06 0.05 0.15 -0.55 8.29 7.88 2fz4A1 TYR 87 HA -0.23 0.16 0.70 -0.75 4.56 4.43 2fz4A1 TYR 87 HB2 -0.09 -0.01 0.13 -0.04 3.06 3.05 2fz4A1 TYR 87 HB3 -0.07 -0.08 0.16 -0.04 2.98 2.96 2fz4A1 TYR 87 HD2 -0.02 -0.04 -0.06 -0.04 7.15 7.00 2fz4A1 TYR 87 HE2 0.02 -0.04 -0.01 -0.04 6.85 6.78 2fz4A1 PHE 88 H -0.43 0.26 0.18 -0.55 8.34 7.79 2fz4A1 PHE 88 HA -0.01 0.06 0.77 -0.75 4.62 4.69 2fz4A1 PHE 88 HB2 -0.13 0.21 0.08 -0.04 3.15 3.28 2fz4A1 PHE 88 HB3 0.23 -0.13 -0.03 -0.04 3.06 3.09 2fz4A1 PHE 88 HD2 -0.09 0.08 -0.10 -0.04 7.28 7.13 2fz4A1 PHE 88 HE2 -0.29 0.04 -0.12 -0.04 7.38 6.97 2fz4A1 PHE 88 HZ -0.30 -0.04 -0.14 -0.04 7.32 6.79 2fz4A1 ASP 89 H 0.19 0.14 -0.01 -0.55 8.40 8.18 2fz4A1 ASP 89 HA 0.02 0.17 0.62 -0.75 4.63 4.69 2fz4A1 ASP 89 HB2 0.13 0.02 -0.32 -0.04 2.71 2.50 2fz4A1 ASP 89 HB3 0.13 -0.06 0.18 -0.04 2.70 2.90 2fz4A1 ALA 90 H 0.06 0.17 -0.01 -0.55 8.40 8.07 2fz4A1 ALA 90 HA -0.02 0.19 0.86 -0.75 4.34 4.61 2fz4A1 ALA 90 HB3 -0.23 -0.01 0.10 -0.04 1.41 1.22 2fz4A1 GLU 91 H -0.12 0.15 0.11 -0.55 8.60 8.19 2fz4A1 GLU 91 HA -0.04 0.08 0.43 -0.75 4.29 4.00 2fz4A1 GLU 91 HB2 -0.05 0.00 0.04 -0.04 2.09 2.04 2fz4A1 GLU 91 HB3 -0.06 0.02 0.14 -0.04 1.99 2.04 2fz4A1 GLU 91 HG2 -0.15 0.03 0.16 -0.04 2.34 2.34 2fz4A1 GLU 91 HG3 -0.12 -0.06 0.27 -0.04 2.34 2.40 2fz4A1 ILE 92 H -0.03 0.29 0.18 -0.55 8.25 8.15 2fz4A1 ILE 92 HA -0.07 0.11 0.48 -0.75 4.18 3.94 2fz4A1 ILE 92 HB -0.01 0.08 0.15 -0.04 1.89 2.07 2fz4A1 ILE 92 HG12 -0.02 -0.08 -0.07 -0.04 1.49 1.28 2fz4A1 ILE 92 HG13 -0.01 0.04 -0.15 -0.04 1.21 1.04 2fz4A1 ILE 92 HG23 0.00 -0.03 0.08 -0.04 0.93 0.94 2fz4A1 ILE 92 HD13 0.03 0.06 -0.04 -0.04 0.88 0.88 2fz4A1 SER 93 H -0.05 0.44 0.01 -0.55 8.46 8.31 2fz4A1 SER 93 HA 0.01 0.14 0.71 -0.75 4.49 4.59 2fz4A1 SER 93 HB2 0.04 -0.02 0.00 -0.04 3.95 3.92 2fz4A1 SER 93 HB3 0.00 -0.01 -0.04 -0.04 3.93 3.84 2fz4A1 LEU 94 H 0.01 0.28 0.09 -0.55 8.37 8.20 2fz4A1 LEU 94 HA 0.05 0.18 0.91 -0.75 4.35 4.74 2fz4A1 LEU 94 HB2 -0.02 0.07 -0.07 -0.04 1.64 1.58 2fz4A1 LEU 94 HB3 -0.06 -0.17 0.01 -0.04 1.64 1.38 2fz4A1 LEU 94 HG 0.03 0.02 -0.42 -0.04 1.64 1.23 2fz4A1 LEU 94 HD13 -0.00 0.02 -0.20 -0.04 0.93 0.71 2fz4A1 LEU 94 HD23 0.15 0.05 -0.34 -0.04 0.89 0.70 2fz4A1 ARG 95 H -0.22 0.03 0.15 -0.55 8.46 7.88 2fz4A1 ARG 95 HA -0.09 0.23 0.64 -0.75 4.34 4.36 2fz4A1 ARG 95 HB2 -0.64 -0.10 0.15 -0.04 1.90 1.26 2fz4A1 ARG 95 HB3 -0.21 -0.05 0.14 -0.04 1.80 1.63 2fz4A1 ARG 95 HG2 -0.05 0.10 0.05 -0.04 1.67 1.73 2fz4A1 ARG 95 HG3 -0.17 0.04 0.00 -0.04 1.67 1.50 2fz4A1 ARG 95 HD2 -0.05 -0.06 0.04 -0.04 3.22 3.12 2fz4A1 ARG 95 HD3 0.30 -0.04 0.05 -0.04 3.22 3.50 2fz4A1 ASP 96 H -0.01 0.20 0.17 -0.55 8.40 8.21 2fz4A1 ASP 96 HA -0.02 0.18 0.32 -0.75 4.63 4.35 2fz4A1 ASP 96 HB2 0.03 0.06 0.15 -0.04 2.71 2.91 2fz4A1 ASP 96 HB3 0.08 -0.04 0.12 -0.04 2.70 2.82 2fz4A1 TYR 97 H 0.17 0.10 -0.04 -0.55 8.29 7.96 2fz4A1 TYR 97 HA 0.02 0.15 0.45 -0.75 4.56 4.43 2fz4A1 TYR 97 HB2 0.02 0.08 0.10 -0.04 3.06 3.22 2fz4A1 TYR 97 HB3 0.01 0.05 0.12 -0.04 2.98 3.13 2fz4A1 TYR 97 HD2 0.01 0.04 -0.02 -0.04 7.15 7.14 2fz4A1 TYR 97 HE2 -0.00 -0.01 0.04 -0.04 6.85 6.84 2fz4A1 GLN 98 H -0.74 0.01 -0.42 -0.55 8.47 6.77 2fz4A1 GLN 98 HA -0.18 0.07 0.43 -0.75 4.36 3.93 2fz4A1 GLN 98 HB2 -0.26 0.11 0.15 -0.04 2.15 2.11 2fz4A1 GLN 98 HB3 -0.16 0.07 0.07 -0.04 2.02 1.95 2fz4A1 GLN 98 HG2 -0.55 0.03 0.07 -0.04 2.40 1.90 2fz4A1 GLN 98 HG3 -1.13 -0.09 0.09 -0.04 2.39 1.21 2fz4A1 GLN 98 HE21 -0.21 0.02 0.10 -0.04 6.97 6.85 2fz4A1 GLN 98 HE22 -0.11 -0.07 0.10 -0.04 7.69 7.57 2fz4A1 GLU 99 H -0.10 0.54 -0.14 -0.55 8.60 8.35 2fz4A1 GLU 99 HA -0.00 0.06 0.49 -0.75 4.29 4.09 2fz4A1 GLU 99 HB2 -0.03 0.07 0.02 -0.04 2.09 2.11 2fz4A1 GLU 99 HB3 0.00 0.04 -0.04 -0.04 1.99 1.95 2fz4A1 GLU 99 HG2 0.01 0.05 -0.00 -0.04 2.34 2.36 2fz4A1 GLU 99 HG3 0.01 -0.02 0.01 -0.04 2.34 2.30 2fz4A1 LYS 100 H 0.01 0.17 -0.54 -0.55 8.42 7.50 2fz4A1 LYS 100 HA 0.05 0.08 0.42 -0.75 4.32 4.12 2fz4A1 LYS 100 HB2 0.09 0.20 0.28 -0.04 1.87 2.39 2fz4A1 LYS 100 HB3 0.07 -0.02 0.00 -0.04 1.79 1.81 2fz4A1 LYS 100 HG2 0.05 0.00 0.01 -0.04 1.46 1.48 2fz4A1 LYS 100 HG3 0.06 0.28 -0.03 -0.04 1.46 1.73 2fz4A1 LYS 100 HD2 0.13 -0.13 0.02 -0.04 1.69 1.67 2fz4A1 LYS 100 HD3 0.08 0.03 0.01 -0.04 1.68 1.76 2fz4A1 LYS 100 HE2 0.05 0.05 -0.03 -0.04 2.99 3.01 2fz4A1 LYS 100 HE3 0.07 -0.07 -0.10 -0.04 2.99 2.85 2fz4A1 ALA 101 H 0.07 0.39 -0.01 -0.55 8.40 8.30 2fz4A1 ALA 101 HA 0.10 0.05 0.42 -0.75 4.34 4.16 2fz4A1 ALA 101 HB3 0.08 0.02 0.11 -0.04 1.41 1.58 2fz4A1 LEU 102 H 0.06 0.36 -0.16 -0.55 8.37 8.09 2fz4A1 LEU 102 HA 0.17 0.02 0.31 -0.75 4.35 4.09 2fz4A1 LEU 102 HB2 0.04 0.01 0.11 -0.04 1.64 1.77 2fz4A1 LEU 102 HB3 0.07 0.10 0.05 -0.04 1.64 1.82 2fz4A1 LEU 102 HG 0.16 0.03 -0.23 -0.04 1.64 1.56 2fz4A1 LEU 102 HD13 0.07 -0.00 -0.03 -0.04 0.93 0.93 2fz4A1 LEU 102 HD23 0.05 0.01 -0.11 -0.04 0.89 0.79 2fz4A1 GLU 103 H 0.09 0.37 -0.44 -0.55 8.60 8.07 2fz4A1 GLU 103 HA 0.09 0.06 0.39 -0.75 4.29 4.07 2fz4A1 GLU 103 HB2 0.06 0.20 0.15 -0.04 2.09 2.46 2fz4A1 GLU 103 HB3 0.05 -0.04 0.02 -0.04 1.99 1.98 2fz4A1 GLU 103 HG2 0.04 -0.01 0.03 -0.04 2.34 2.36 2fz4A1 GLU 103 HG3 0.06 -0.06 -0.01 -0.04 2.34 2.29 2fz4A1 ARG 104 H 0.12 0.36 -0.23 -0.55 8.46 8.16 2fz4A1 ARG 104 HA 0.06 0.08 0.59 -0.75 4.34 4.31 2fz4A1 ARG 104 HB2 0.13 0.06 0.21 -0.04 1.90 2.25 2fz4A1 ARG 104 HB3 0.09 -0.06 0.07 -0.04 1.80 1.86 2fz4A1 ARG 104 HG2 0.06 -0.04 0.02 -0.04 1.67 1.67 2fz4A1 ARG 104 HG3 0.07 0.08 0.02 -0.04 1.67 1.80 2fz4A1 ARG 104 HD2 0.07 -0.05 -0.15 -0.04 3.22 3.04 2fz4A1 ARG 104 HD3 0.09 -0.09 -0.15 -0.04 3.22 3.02 2fz4A1 TRP 105 H 0.30 0.66 0.01 -0.55 7.97 8.40 2fz4A1 TRP 105 HA 0.04 0.01 0.46 -0.75 4.62 4.37 2fz4A1 TRP 105 HB2 0.04 -0.05 -0.03 -0.04 3.23 3.15 2fz4A1 TRP 105 HB3 0.03 0.13 0.04 -0.04 3.23 3.39 2fz4A1 TRP 105 HD1 0.06 -0.08 -0.14 -0.04 7.22 7.02 2fz4A1 TRP 105 HE1 0.09 0.21 0.20 -0.04 10.20 10.66 2fz4A1 TRP 105 HE3 0.00 0.12 -0.20 -0.04 7.59 7.47 2fz4A1 TRP 105 HZ2 0.09 0.09 -0.49 -0.04 7.44 7.09 2fz4A1 TRP 105 HZ3 -0.05 0.04 -0.09 -0.04 7.13 7.00 2fz4A1 TRP 105 HH2 -0.03 0.07 -0.15 -0.04 7.19 7.04 2fz4A1 LEU 106 H 0.14 0.33 -0.41 -0.55 8.37 7.88 2fz4A1 LEU 106 HA -0.43 0.04 0.37 -0.75 4.35 3.58 2fz4A1 LEU 106 HB2 0.06 0.06 0.11 -0.04 1.64 1.83 2fz4A1 LEU 106 HB3 -0.04 0.01 -0.05 -0.04 1.64 1.52 2fz4A1 LEU 106 HG -0.00 0.01 0.01 -0.04 1.64 1.62 2fz4A1 LEU 106 HD13 0.39 0.05 -0.08 -0.04 0.93 1.25 2fz4A1 LEU 106 HD23 0.06 -0.02 -0.08 -0.04 0.89 0.81 2fz4A1 VAL 107 H -0.11 0.25 -0.63 -0.55 8.24 7.21 2fz4A1 VAL 107 HA -0.08 0.07 0.44 -0.75 4.13 3.81 2fz4A1 VAL 107 HB -0.04 -0.04 0.04 -0.04 2.12 2.03 2fz4A1 VAL 107 HG13 -0.01 0.01 0.10 -0.04 0.97 1.03 2fz4A1 VAL 107 HG23 -0.05 0.09 0.12 -0.04 0.95 1.06 2fz4A1 ASP 108 H -0.24 0.08 -0.05 -0.55 8.40 7.64 2fz4A1 ASP 108 HA -0.10 0.26 0.89 -0.75 4.63 4.93 2fz4A1 ASP 108 HB2 -0.10 -0.06 0.03 -0.04 2.71 2.53 2fz4A1 ASP 108 HB3 -0.05 0.05 0.10 -0.04 2.70 2.76 2fz4A1 LYS 109 H -0.76 0.36 0.00 -0.55 8.42 7.47 2fz4A1 LYS 109 HA -2.53 0.03 0.30 -0.75 4.32 1.37 2fz4A1 LYS 109 HB2 -0.23 0.14 -0.35 -0.04 1.87 1.39 2fz4A1 LYS 109 HB3 -0.44 -0.07 0.18 -0.04 1.79 1.42 2fz4A1 LYS 109 HG2 -0.96 -0.07 -0.02 -0.04 1.46 0.37 2fz4A1 LYS 109 HG3 -0.67 0.07 -0.11 -0.04 1.46 0.71 2fz4A1 LYS 109 HD2 -1.00 -0.03 -0.07 -0.04 1.69 0.55 2fz4A1 LYS 109 HD3 -0.44 -0.04 -0.04 -0.04 1.68 1.11 2fz4A1 LYS 109 HE2 -0.23 0.27 -0.07 -0.04 2.99 2.92 2fz4A1 LYS 109 HE3 -0.18 0.00 -0.24 -0.04 2.99 2.54 2fz4A1 ARG 110 H -0.32 -0.04 -0.50 -0.55 8.46 7.05 2fz4A1 ARG 110 HA 0.29 0.02 0.84 -0.75 4.34 4.73 2fz4A1 ARG 110 HB2 0.08 0.32 -0.15 -0.04 1.90 2.11 2fz4A1 ARG 110 HB3 0.07 -0.12 0.18 -0.04 1.80 1.88 2fz4A1 ARG 110 HG2 0.16 -0.13 0.03 -0.04 1.67 1.68 2fz4A1 ARG 110 HG3 0.17 0.03 0.10 -0.04 1.67 1.94 2fz4A1 ARG 110 HD2 0.08 0.17 0.08 -0.04 3.22 3.52 2fz4A1 ARG 110 HD3 0.09 -0.11 0.05 -0.04 3.22 3.20 2fz4A1 GLY 111 H 0.86 0.59 0.24 -0.55 8.43 9.56 2fz4A1 GLY 111 HA2 0.24 0.10 0.56 -0.51 4.01 4.40 2fz4A1 GLY 111 HA3 0.33 0.01 0.38 -0.51 4.01 4.22 2fz4A1 CYS 112 H 0.20 0.18 0.20 -0.55 8.50 8.54 2fz4A1 CYS 112 HA 0.11 0.11 1.10 -0.75 4.58 5.15 2fz4A1 CYS 112 HB2 0.12 -0.00 -0.03 -0.04 2.97 3.02 2fz4A1 CYS 112 HB3 0.10 -0.00 0.03 -0.04 2.97 3.06 2fz4A1 ILE 113 H 0.00 0.72 0.31 -0.55 8.25 8.73 2fz4A1 ILE 113 HA 0.06 0.15 0.97 -0.75 4.18 4.61 2fz4A1 ILE 113 HB -0.10 0.06 0.08 -0.04 1.89 1.90 2fz4A1 ILE 113 HG12 0.09 0.00 -0.03 -0.04 1.49 1.52 2fz4A1 ILE 113 HG13 0.04 0.04 -0.43 -0.04 1.21 0.82 2fz4A1 ILE 113 HG23 0.01 -0.03 -0.23 -0.04 0.93 0.64 2fz4A1 ILE 113 HD13 -0.08 -0.00 -0.18 -0.04 0.88 0.58 2fz4A1 VAL 114 H 0.05 0.21 0.14 -0.55 8.24 8.09 2fz4A1 VAL 114 HA 0.01 0.18 0.92 -0.75 4.13 4.49 2fz4A1 VAL 114 HB 0.04 -0.00 0.10 -0.04 2.12 2.21 2fz4A1 VAL 114 HG13 0.00 -0.00 -0.09 -0.04 0.97 0.84 2fz4A1 VAL 114 HG23 0.04 0.01 -0.09 -0.04 0.95 0.87 2fz4A1 LEU 115 H 0.03 0.79 0.38 -0.55 8.37 9.03 2fz4A1 LEU 115 HA 0.11 0.25 1.00 -0.75 4.35 4.95 2fz4A1 LEU 115 HB2 0.07 0.03 -0.09 -0.04 1.64 1.60 2fz4A1 LEU 115 HB3 0.13 -0.19 -0.16 -0.04 1.64 1.38 2fz4A1 LEU 115 HG 0.05 0.04 -0.39 -0.04 1.64 1.30 2fz4A1 LEU 115 HD13 0.03 -0.06 -0.09 -0.04 0.93 0.77 2fz4A1 LEU 115 HD23 0.14 0.02 0.02 -0.04 0.89 1.03 2fz4A1 PRO 116 HA 0.12 0.07 0.49 -0.51 4.44 4.61 2fz4A1 PRO 116 HB2 0.08 0.07 0.05 -0.04 2.28 2.44 2fz4A1 PRO 116 HB3 0.02 0.08 0.13 -0.04 2.02 2.21 2fz4A1 PRO 116 HG2 0.16 -0.32 0.19 -0.04 2.03 2.02 2fz4A1 PRO 116 HG3 -0.38 0.09 0.11 -0.04 2.03 1.81 2fz4A1 PRO 116 HD2 0.29 0.08 0.21 -0.04 3.68 4.23 2fz4A1 PRO 116 HD3 0.07 0.23 0.18 -0.04 3.65 4.09 2fz4A1 THR 117 H 0.18 0.04 -0.03 -0.55 8.28 7.92 2fz4A1 THR 117 HA 0.11 0.16 0.31 -0.75 4.39 4.22 2fz4A1 THR 117 HB 0.05 -0.08 0.20 -0.04 4.32 4.45 2fz4A1 THR 117 HG23 0.18 0.04 0.08 -0.04 1.22 1.48 2fz4A1 GLY 118 H 0.04 -0.46 0.17 -0.55 8.43 7.63 2fz4A1 GLY 118 HA2 0.05 0.08 0.34 -0.51 4.01 3.97 2fz4A1 GLY 118 HA3 0.05 0.41 0.53 -0.51 4.01 4.49 2fz4A1 SER 119 H -0.00 0.18 0.19 -0.55 8.46 8.28 2fz4A1 SER 119 HA -0.08 0.26 0.73 -0.75 4.49 4.64 2fz4A1 SER 119 HB2 -0.06 -0.02 0.03 -0.04 3.95 3.87 2fz4A1 SER 119 HB3 -0.06 0.11 0.12 -0.04 3.93 4.06 2fz4A1 GLY 120 H -0.00 -0.35 0.03 -0.55 8.43 7.56 2fz4A1 GLY 120 HA2 -0.08 0.30 0.70 -0.51 4.01 4.43 2fz4A1 GLY 120 HA3 -0.04 0.03 0.32 -0.51 4.01 3.81 2fz4A1 LYS 121 H -0.00 0.11 -0.69 -0.55 8.42 7.28 2fz4A1 LYS 121 HA 0.04 0.19 0.55 -0.75 4.32 4.34 2fz4A1 LYS 121 HB2 0.05 -0.09 -0.11 -0.04 1.87 1.68 2fz4A1 LYS 121 HB3 0.04 0.23 0.01 -0.04 1.79 2.03 2fz4A1 LYS 121 HG2 0.16 0.04 -0.22 -0.04 1.46 1.40 2fz4A1 LYS 121 HG3 0.06 0.00 -0.13 -0.04 1.46 1.35 2fz4A1 LYS 121 HD2 0.07 0.05 -0.51 -0.04 1.69 1.26 2fz4A1 LYS 121 HD3 0.06 -0.04 -0.29 -0.04 1.68 1.37 2fz4A1 LYS 121 HE2 0.09 0.13 -0.01 -0.04 2.99 3.17 2fz4A1 LYS 121 HE3 0.25 0.00 -0.14 -0.04 2.99 3.06 2fz4A1 THR 122 H -0.11 0.16 -0.17 -0.55 8.28 7.61 2fz4A1 THR 122 HA -0.47 0.12 0.33 -0.75 4.39 3.62 2fz4A1 THR 122 HB -1.08 0.04 0.05 -0.04 4.32 3.29 2fz4A1 THR 122 HG23 -0.22 0.09 0.08 -0.04 1.22 1.13 2fz4A1 HIS 123 H 0.03 -0.20 -1.46 -0.55 8.41 6.24 2fz4A1 HIS 123 HA -0.10 0.27 0.67 -0.75 4.63 4.72 2fz4A1 HIS 123 HB2 -0.09 -0.16 0.08 -0.04 3.26 3.05 2fz4A1 HIS 123 HB3 -0.09 0.00 -0.09 -0.04 3.20 2.99 2fz4A1 HIS 123 HD2 -0.12 0.09 -0.02 -0.04 6.97 6.88 2fz4A1 HIS 123 HE1 -0.07 0.29 0.15 -0.04 7.75 8.08 2fz4A1 VAL 124 H 0.04 0.25 -0.18 -0.55 8.24 7.80 2fz4A1 VAL 124 HA -0.01 0.07 0.33 -0.75 4.13 3.77 2fz4A1 VAL 124 HB -0.02 -0.00 0.13 -0.04 2.12 2.19 2fz4A1 VAL 124 HG13 -0.03 0.02 -0.03 -0.04 0.97 0.89 2fz4A1 VAL 124 HG23 -0.06 0.01 -0.04 -0.04 0.95 0.83 2fz4A1 ALA 125 H 0.03 0.27 -0.45 -0.55 8.40 7.69 2fz4A1 ALA 125 HA -0.06 0.08 0.26 -0.75 4.34 3.87 2fz4A1 ALA 125 HB3 0.27 0.02 -0.10 -0.04 1.41 1.56 2fz4A1 MET 126 H 0.01 0.16 -0.45 -0.55 8.47 7.64 2fz4A1 MET 126 HA 0.16 0.05 0.22 -0.75 4.52 4.19 2fz4A1 MET 126 HB2 -0.14 0.10 0.12 -0.04 2.15 2.19 2fz4A1 MET 126 HB3 -0.15 0.02 -0.09 -0.04 2.03 1.77 2fz4A1 MET 126 HG2 -0.24 -0.01 -0.00 -0.04 2.63 2.33 2fz4A1 MET 126 HG3 0.01 -0.02 -0.03 -0.04 2.56 2.48 2fz4A1 MET 126 HE3 -0.20 -0.01 0.03 -0.04 2.10 1.89 2fz4A1 ALA 127 H -0.03 0.36 -0.47 -0.55 8.40 7.71 2fz4A1 ALA 127 HA 0.01 0.01 0.27 -0.75 4.34 3.88 2fz4A1 ALA 127 HB3 0.00 0.02 -0.01 -0.04 1.41 1.38 2fz4A1 ALA 128 H -0.02 0.52 -0.17 -0.55 8.40 8.18 2fz4A1 ALA 128 HA 0.10 -0.03 0.32 -0.75 4.34 3.98 2fz4A1 ALA 128 HB3 -0.12 0.01 0.03 -0.04 1.41 1.28 2fz4A1 ILE 129 H 0.00 0.49 -0.19 -0.55 8.25 8.01 2fz4A1 ILE 129 HA -0.02 0.08 0.35 -0.75 4.18 3.84 2fz4A1 ILE 129 HB -0.06 0.06 0.04 -0.04 1.89 1.90 2fz4A1 ILE 129 HG12 -0.08 0.01 -0.08 -0.04 1.49 1.31 2fz4A1 ILE 129 HG13 -0.03 0.12 -0.10 -0.04 1.21 1.15 2fz4A1 ILE 129 HG23 -0.70 0.00 -0.18 -0.04 0.93 0.01 2fz4A1 ILE 129 HD13 -0.03 -0.04 -0.18 -0.04 0.88 0.59 2fz4A1 ASN 130 H 0.12 0.46 -0.30 -0.55 8.53 8.26 2fz4A1 ASN 130 HA 0.18 -0.05 0.18 -0.75 4.76 4.31 2fz4A1 ASN 130 HB2 0.30 -0.02 -0.00 -0.04 2.88 3.11 2fz4A1 ASN 130 HB3 0.10 0.17 0.07 -0.04 2.79 3.09 2fz4A1 ASN 130 HD21 0.03 -0.06 -0.09 -0.04 7.03 6.87 2fz4A1 ASN 130 HD22 0.04 0.05 -0.24 -0.04 7.74 7.55 2fz4A1 GLU 131 H 0.06 0.32 -0.31 -0.55 8.60 8.13 2fz4A1 GLU 131 HA 0.02 -0.02 0.44 -0.75 4.29 3.98 2fz4A1 GLU 131 HB2 0.08 0.05 0.13 -0.04 2.09 2.31 2fz4A1 GLU 131 HB3 0.04 -0.01 -0.03 -0.04 1.99 1.95 2fz4A1 GLU 131 HG2 0.04 -0.03 -0.02 -0.04 2.34 2.29 2fz4A1 GLU 131 HG3 0.06 -0.08 -0.04 -0.04 2.34 2.24 2fz4A1 LEU 132 H 0.04 0.47 -0.02 -0.55 8.37 8.32 2fz4A1 LEU 132 HA -0.01 0.04 0.67 -0.75 4.35 4.30 2fz4A1 LEU 132 HB2 0.02 -0.00 0.18 -0.04 1.64 1.79 2fz4A1 LEU 132 HB3 -0.09 -0.03 0.02 -0.04 1.64 1.50 2fz4A1 LEU 132 HG 0.02 0.00 0.06 -0.04 1.64 1.68 2fz4A1 LEU 132 HD13 -0.11 -0.01 -0.05 -0.04 0.93 0.71 2fz4A1 LEU 132 HD23 -0.24 -0.00 -0.07 -0.04 0.89 0.54 2fz4A1 SER 133 H -0.01 0.15 0.04 -0.55 8.46 8.09 2fz4A1 SER 133 HA 0.14 0.20 0.57 -0.75 4.49 4.65 2fz4A1 SER 133 HB2 -0.11 -0.08 0.26 -0.04 3.95 3.98 2fz4A1 SER 133 HB3 -0.43 0.48 0.32 -0.04 3.93 4.25 2fz4A1 THR 134 H 0.09 0.64 -0.03 -0.55 8.28 8.44 2fz4A1 THR 134 HA 0.03 0.18 0.81 -0.75 4.39 4.66 2fz4A1 THR 134 HB 0.14 -0.07 -0.21 -0.04 4.32 4.13 2fz4A1 THR 134 HG23 0.24 0.05 -0.23 -0.04 1.22 1.24 2fz4A1 PRO 135 HA 0.13 0.26 0.65 -0.51 4.44 4.97 2fz4A1 PRO 135 HB2 -0.06 0.05 0.22 -0.04 2.28 2.45 2fz4A1 PRO 135 HB3 -0.04 0.17 0.25 -0.04 2.02 2.36 2fz4A1 PRO 135 HG2 0.01 -0.29 0.24 -0.04 2.03 1.94 2fz4A1 PRO 135 HG3 -0.08 -0.01 0.18 -0.04 2.03 2.08 2fz4A1 PRO 135 HD2 0.04 0.02 0.25 -0.04 3.68 3.95 2fz4A1 PRO 135 HD3 -0.01 0.26 0.23 -0.04 3.65 4.09 2fz4A1 THR 136 H 0.21 0.95 0.53 -0.55 8.28 9.42 2fz4A1 THR 136 HA 0.09 0.23 1.30 -0.75 4.39 5.26 2fz4A1 THR 136 HB -0.04 -0.07 0.15 -0.04 4.32 4.32 2fz4A1 THR 136 HG23 -0.11 -0.04 -0.29 -0.04 1.22 0.74 2fz4A1 LEU 137 H -0.32 0.63 0.38 -0.55 8.37 8.52 2fz4A1 LEU 137 HA -0.71 0.33 1.03 -0.75 4.35 4.25 2fz4A1 LEU 137 HB2 -2.00 0.04 -0.03 -0.04 1.64 -0.39 2fz4A1 LEU 137 HB3 -0.62 -0.03 0.14 -0.04 1.64 1.08 2fz4A1 LEU 137 HG -0.48 -0.09 -0.32 -0.04 1.64 0.71 2fz4A1 LEU 137 HD13 -0.53 0.05 -0.10 -0.04 0.93 0.31 2fz4A1 LEU 137 HD23 -0.36 -0.01 -0.15 -0.04 0.89 0.34 2fz4A1 ILE 138 H -0.37 0.70 0.37 -0.55 8.25 8.41 2fz4A1 ILE 138 HA -0.46 0.23 1.01 -0.75 4.18 4.21 2fz4A1 ILE 138 HB -0.39 -0.11 0.16 -0.04 1.89 1.51 2fz4A1 ILE 138 HG12 -0.23 0.11 -0.29 -0.04 1.49 1.05 2fz4A1 ILE 138 HG13 -0.17 -0.01 -0.18 -0.04 1.21 0.81 2fz4A1 ILE 138 HG23 -1.09 -0.02 -0.18 -0.04 0.93 -0.40 2fz4A1 ILE 138 HD13 -0.25 0.04 -0.28 -0.04 0.88 0.35 2fz4A1 VAL 139 H -0.47 0.78 0.29 -0.55 8.24 8.29 2fz4A1 VAL 139 HA -0.32 0.23 0.86 -0.75 4.13 4.14 2fz4A1 VAL 139 HB -0.30 -0.05 0.10 -0.04 2.12 1.83 2fz4A1 VAL 139 HG13 -0.62 -0.03 -0.39 -0.04 0.97 -0.10 2fz4A1 VAL 139 HG23 -0.32 0.04 -0.22 -0.04 0.95 0.41 2fz4A1 VAL 140 H -0.20 0.98 0.46 -0.55 8.24 8.92 2fz4A1 VAL 140 HA 0.02 0.22 1.02 -0.75 4.13 4.64 2fz4A1 VAL 140 HB -0.01 0.03 0.05 -0.04 2.12 2.15 2fz4A1 VAL 140 HG13 -0.89 0.02 -0.27 -0.04 0.97 -0.21 2fz4A1 VAL 140 HG23 -0.04 0.07 -0.25 -0.04 0.95 0.69 2fz4A1 PRO 141 HA 0.23 -0.17 0.72 -0.51 4.44 4.71 2fz4A1 PRO 141 HB2 0.01 0.02 0.12 -0.04 2.28 2.39 2fz4A1 PRO 141 HB3 -0.04 0.02 0.17 -0.04 2.02 2.13 2fz4A1 PRO 141 HG2 0.04 0.01 0.11 -0.04 2.03 2.15 2fz4A1 PRO 141 HG3 -0.03 0.07 0.17 -0.04 2.03 2.21 2fz4A1 PRO 141 HD2 0.13 0.13 0.33 -0.04 3.68 4.23 2fz4A1 PRO 141 HD3 0.29 0.25 0.30 -0.04 3.65 4.45 2fz4A1 THR 142 H 0.07 0.03 0.19 -0.55 8.28 8.02 2fz4A1 THR 142 HA 0.04 -0.02 0.48 -0.75 4.39 4.14 2fz4A1 THR 142 HB 0.03 -0.02 0.09 -0.04 4.32 4.39 2fz4A1 THR 142 HG23 0.02 0.02 -0.21 -0.04 1.22 1.01 2fz4A1 LEU 143 H 0.04 0.15 0.18 -0.55 8.37 8.19 2fz4A1 LEU 143 HA 0.04 0.12 0.40 -0.75 4.35 4.16 2fz4A1 LEU 143 HB2 0.03 -0.02 0.17 -0.04 1.64 1.78 2fz4A1 LEU 143 HB3 0.03 -0.00 0.16 -0.04 1.64 1.78 2fz4A1 LEU 143 HG 0.03 -0.00 0.02 -0.04 1.64 1.65 2fz4A1 LEU 143 HD13 0.02 0.02 -0.00 -0.04 0.93 0.93 2fz4A1 LEU 143 HD23 0.04 -0.01 -0.22 -0.04 0.89 0.65 2fz4A1 ALA 144 H 0.04 0.07 -0.03 -0.55 8.40 7.93 2fz4A1 ALA 144 HA 0.04 0.08 0.35 -0.75 4.34 4.06 2fz4A1 ALA 144 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 2fz4A1 LEU 145 H 0.08 0.14 -0.32 -0.55 8.37 7.72 2fz4A1 LEU 145 HA 0.14 0.03 0.43 -0.75 4.35 4.20 2fz4A1 LEU 145 HB2 0.11 0.46 0.15 -0.04 1.64 2.32 2fz4A1 LEU 145 HB3 0.26 -0.03 0.00 -0.04 1.64 1.83 2fz4A1 LEU 145 HG 0.07 -0.10 0.01 -0.04 1.64 1.58 2fz4A1 LEU 145 HD13 0.08 0.01 0.05 -0.04 0.93 1.03 2fz4A1 LEU 145 HD23 0.12 -0.00 0.02 -0.04 0.89 0.99 2fz4A1 ALA 146 H 0.10 0.40 -0.26 -0.55 8.40 8.09 2fz4A1 ALA 146 HA 0.13 0.05 0.46 -0.75 4.34 4.23 2fz4A1 ALA 146 HB3 0.04 0.01 0.01 -0.04 1.41 1.43 2fz4A1 GLU 147 H 0.09 0.56 -0.02 -0.55 8.60 8.68 2fz4A1 GLU 147 HA 0.07 -0.02 0.32 -0.75 4.29 3.91 2fz4A1 GLU 147 HB2 0.06 0.04 0.11 -0.04 2.09 2.26 2fz4A1 GLU 147 HB3 0.05 0.04 -0.05 -0.04 1.99 1.99 2fz4A1 GLU 147 HG2 0.04 -0.05 -0.01 -0.04 2.34 2.28 2fz4A1 GLU 147 HG3 0.03 -0.03 -0.02 -0.04 2.34 2.28 2fz4A1 GLN 148 H 0.11 0.30 -0.39 -0.55 8.47 7.94 2fz4A1 GLN 148 HA 0.01 0.04 0.36 -0.75 4.36 4.02 2fz4A1 GLN 148 HB2 0.08 0.13 0.12 -0.04 2.15 2.44 2fz4A1 GLN 148 HB3 -0.09 -0.01 -0.04 -0.04 2.02 1.84 2fz4A1 GLN 148 HG2 -0.00 -0.02 0.01 -0.04 2.40 2.35 2fz4A1 GLN 148 HG3 0.04 0.12 0.05 -0.04 2.39 2.56 2fz4A1 GLN 148 HE21 0.03 -0.04 -0.06 -0.04 6.97 6.86 2fz4A1 GLN 148 HE22 0.04 -0.01 -0.16 -0.04 7.69 7.51 2fz4A1 TRP 149 H 0.39 0.37 -0.15 -0.55 7.97 8.04 2fz4A1 TRP 149 HA -0.01 -0.01 0.22 -0.75 4.62 4.07 2fz4A1 TRP 149 HB2 -0.01 0.08 0.13 -0.04 3.23 3.39 2fz4A1 TRP 149 HB3 -0.02 -0.03 -0.11 -0.04 3.23 3.03 2fz4A1 TRP 149 HD1 -0.00 0.70 0.15 -0.04 7.22 8.03 2fz4A1 TRP 149 HE1 -0.00 -0.06 -0.03 -0.04 10.20 10.06 2fz4A1 TRP 149 HE3 -0.03 0.05 -0.10 -0.04 7.59 7.47 2fz4A1 TRP 149 HZ2 -0.02 -0.05 -0.12 -0.04 7.44 7.20 2fz4A1 TRP 149 HZ3 -0.06 -0.01 -0.14 -0.04 7.13 6.89 2fz4A1 TRP 149 HH2 -0.05 -0.02 -0.19 -0.04 7.19 6.89 2fz4A1 LYS 150 H 0.20 0.59 -0.27 -0.55 8.42 8.39 2fz4A1 LYS 150 HA 0.13 0.02 0.29 -0.75 4.32 4.00 2fz4A1 LYS 150 HB2 0.09 0.14 0.12 -0.04 1.87 2.18 2fz4A1 LYS 150 HB3 0.07 -0.04 -0.03 -0.04 1.79 1.75 2fz4A1 LYS 150 HG2 0.08 0.05 -0.12 -0.04 1.46 1.43 2fz4A1 LYS 150 HG3 0.08 -0.01 -0.11 -0.04 1.46 1.38 2fz4A1 LYS 150 HD2 0.06 0.06 -0.14 -0.04 1.69 1.62 2fz4A1 LYS 150 HD3 0.05 -0.06 -0.21 -0.04 1.68 1.42 2fz4A1 LYS 150 HE2 0.05 -0.06 -0.08 -0.04 2.99 2.86 2fz4A1 LYS 150 HE3 0.05 0.03 -0.02 -0.04 2.99 3.01 2fz4A1 GLU 151 H 0.06 0.39 -0.04 -0.55 8.60 8.46 2fz4A1 GLU 151 HA 0.03 -0.11 0.49 -0.75 4.29 3.95 2fz4A1 GLU 151 HB2 0.02 -0.05 0.14 -0.04 2.09 2.16 2fz4A1 GLU 151 HB3 0.01 0.13 0.24 -0.04 1.99 2.34 2fz4A1 GLU 151 HG2 -0.01 0.03 -0.09 -0.04 2.34 2.22 2fz4A1 GLU 151 HG3 0.00 -0.05 0.03 -0.04 2.34 2.28 2fz4A1 ARG 152 H 0.02 -0.18 0.48 -0.55 8.46 8.23 2fz4A1 ARG 152 HA -0.07 -0.05 0.39 -0.75 4.34 3.85 2fz4A1 ARG 152 HB2 -0.09 0.53 -0.10 -0.04 1.90 2.20 2fz4A1 ARG 152 HB3 -0.05 0.23 -0.13 -0.04 1.80 1.81 2fz4A1 ARG 152 HG2 -0.36 -0.09 -0.04 -0.04 1.67 1.14 2fz4A1 ARG 152 HG3 -0.19 -0.04 0.04 -0.04 1.67 1.44 2fz4A1 ARG 152 HD2 -0.12 -0.07 0.09 -0.04 3.22 3.07 2fz4A1 ARG 152 HD3 -0.13 0.15 0.13 -0.04 3.22 3.33 2fz4A1 LEU 153 H 0.07 1.05 0.43 -0.55 8.37 9.38 2fz4A1 LEU 153 HA 0.17 0.12 0.64 -0.75 4.35 4.53 2fz4A1 LEU 153 HB2 0.14 0.29 0.28 -0.04 1.64 2.31 2fz4A1 LEU 153 HB3 0.16 -0.06 -0.03 -0.04 1.64 1.67 2fz4A1 LEU 153 HG 0.10 -0.01 -0.08 -0.04 1.64 1.61 2fz4A1 LEU 153 HD13 0.26 -0.01 -0.06 -0.04 0.93 1.08 2fz4A1 LEU 153 HD23 0.28 -0.00 -0.18 -0.04 0.89 0.95 2fz4A1 GLY 154 H 0.04 -0.12 0.07 -0.55 8.43 7.87 2fz4A1 GLY 154 HA2 0.07 0.05 0.22 -0.51 4.01 3.84 2fz4A1 GLY 154 HA3 0.02 0.05 0.27 -0.51 4.01 3.84 2fz4A1 ILE 155 H -0.10 0.22 -0.68 -0.55 8.25 7.14 2fz4A1 ILE 155 HA -0.10 0.05 0.39 -0.75 4.18 3.76 2fz4A1 ILE 155 HB -0.30 -0.04 0.18 -0.04 1.89 1.68 2fz4A1 ILE 155 HG12 -0.31 0.01 0.02 -0.04 1.49 1.17 2fz4A1 ILE 155 HG13 -0.27 0.03 -0.14 -0.04 1.21 0.79 2fz4A1 ILE 155 HG23 -0.13 -0.02 -0.02 -0.04 0.93 0.73 2fz4A1 ILE 155 HD13 -1.12 0.01 -0.25 -0.04 0.88 -0.52 2fz4A1 PHE 156 H 0.09 -0.08 -1.08 -0.55 8.34 6.71 2fz4A1 PHE 156 HA 0.01 0.09 0.69 -0.75 4.62 4.66 2fz4A1 PHE 156 HB2 -0.09 0.22 -0.05 -0.04 3.15 3.19 2fz4A1 PHE 156 HB3 -0.20 -0.01 -0.05 -0.04 3.06 2.76 2fz4A1 PHE 156 HD2 -0.27 0.02 -0.01 -0.04 7.28 6.98 2fz4A1 PHE 156 HE2 -0.21 -0.06 -0.08 -0.04 7.38 6.99 2fz4A1 PHE 156 HZ -0.21 0.16 -0.04 -0.04 7.32 7.19 2fz4A1 GLY 157 H 0.16 0.20 -0.02 -0.55 8.43 8.23 2fz4A1 GLY 157 HA2 0.11 -0.02 0.45 -0.51 4.01 4.03 2fz4A1 GLY 157 HA3 0.26 0.24 0.89 -0.51 4.01 4.89 2fz4A1 GLU 158 H 0.04 0.19 0.22 -0.55 8.60 8.50 2fz4A1 GLU 158 HA 0.06 0.07 0.45 -0.75 4.29 4.11 2fz4A1 GLU 158 HB2 0.02 -0.01 0.20 -0.04 2.09 2.26 2fz4A1 GLU 158 HB3 0.00 0.03 0.07 -0.04 1.99 2.05 2fz4A1 GLU 158 HG2 0.02 0.07 0.03 -0.04 2.34 2.41 2fz4A1 GLU 158 HG3 0.03 -0.03 0.09 -0.04 2.34 2.39 2fz4A1 GLU 159 H -0.09 0.01 -0.39 -0.55 8.60 7.58 2fz4A1 GLU 159 HA -0.05 0.14 0.47 -0.75 4.29 4.09 2fz4A1 GLU 159 HB2 -0.14 0.02 0.08 -0.04 2.09 2.01 2fz4A1 GLU 159 HB3 -0.17 -0.09 0.06 -0.04 1.99 1.75 2fz4A1 GLU 159 HG2 -1.07 0.10 -0.34 -0.04 2.34 0.98 2fz4A1 GLU 159 HG3 -0.44 0.03 -0.13 -0.04 2.34 1.76 2fz4A1 TYR 160 H 0.04 0.41 -0.32 -0.55 8.29 7.86 2fz4A1 TYR 160 HA 0.09 0.15 0.70 -0.75 4.56 4.75 2fz4A1 TYR 160 HB2 0.17 0.11 -0.09 -0.04 3.06 3.21 2fz4A1 TYR 160 HB3 0.19 -0.02 0.07 -0.04 2.98 3.17 2fz4A1 TYR 160 HD2 0.17 0.14 -0.01 -0.04 7.15 7.41 2fz4A1 TYR 160 HE2 0.10 0.01 0.02 -0.04 6.85 6.94 2fz4A1 VAL 161 H 0.12 0.19 -0.35 -0.55 8.24 7.64 2fz4A1 VAL 161 HA 0.12 0.36 0.98 -0.75 4.13 4.84 2fz4A1 VAL 161 HB 0.09 -0.02 0.09 -0.04 2.12 2.24 2fz4A1 VAL 161 HG13 0.09 -0.01 -0.14 -0.04 0.97 0.86 2fz4A1 VAL 161 HG23 0.14 -0.01 -0.24 -0.04 0.95 0.80 2fz4A1 GLY 162 H 0.10 0.96 0.46 -0.55 8.43 9.40 2fz4A1 GLY 162 HA2 0.07 0.17 0.93 -0.51 4.01 4.67 2fz4A1 GLY 162 HA3 0.10 -0.03 0.18 -0.51 4.01 3.75 2fz4A1 GLU 163 H 0.07 0.18 0.17 -0.55 8.60 8.48 2fz4A1 GLU 163 HA 0.07 0.28 1.05 -0.75 4.29 4.94 2fz4A1 GLU 163 HB2 0.05 0.03 -0.06 -0.04 2.09 2.06 2fz4A1 GLU 163 HB3 0.04 -0.03 0.09 -0.04 1.99 2.04 2fz4A1 GLU 163 HG2 0.03 0.01 -0.33 -0.04 2.34 2.00 2fz4A1 GLU 163 HG3 0.04 0.05 -0.04 -0.04 2.34 2.35 2fz4A1 PHE 164 H 0.15 0.55 0.18 -0.55 8.34 8.66 2fz4A1 PHE 164 HA 0.02 0.16 1.20 -0.75 4.62 5.25 2fz4A1 PHE 164 HB2 0.03 0.17 -0.10 -0.04 3.15 3.21 2fz4A1 PHE 164 HB3 -0.02 -0.09 0.10 -0.04 3.06 3.01 2fz4A1 PHE 164 HD2 0.03 -0.00 -0.31 -0.04 7.28 6.96 2fz4A1 PHE 164 HE2 0.03 0.03 -0.15 -0.04 7.38 7.25 2fz4A1 PHE 164 HZ 0.03 -0.01 -0.08 -0.04 7.32 7.22 2fz4A1 SER 165 H -0.17 1.19 0.36 -0.55 8.46 9.30 2fz4A1 SER 165 HA 0.05 0.06 0.68 -0.75 4.49 4.52 2fz4A1 SER 165 HB2 0.02 -0.15 0.22 -0.04 3.95 3.99 2fz4A1 SER 165 HB3 0.03 0.14 -0.09 -0.04 3.93 3.97 2fz4A1 GLY 166 H 0.00 0.08 0.17 -0.55 8.43 8.14 2fz4A1 GLY 166 HA2 -0.04 0.16 0.36 -0.51 4.01 3.98 2fz4A1 GLY 166 HA3 -0.01 0.01 0.34 -0.51 4.01 3.84 2fz4A1 ARG 167 H -0.03 -0.16 -0.64 -0.55 8.46 7.08 2fz4A1 ARG 167 HA -0.02 0.16 0.61 -0.75 4.34 4.34 2fz4A1 ARG 167 HB2 -0.00 -0.13 0.02 -0.04 1.90 1.75 2fz4A1 ARG 167 HB3 -0.01 0.02 -0.02 -0.04 1.80 1.74 2fz4A1 ARG 167 HG2 -0.01 0.07 -0.06 -0.04 1.67 1.63 2fz4A1 ARG 167 HG3 -0.00 0.02 0.03 -0.04 1.67 1.68 2fz4A1 ARG 167 HD2 0.01 0.02 -0.02 -0.04 3.22 3.19 2fz4A1 ARG 167 HD3 0.01 -0.10 -0.02 -0.04 3.22 3.07 2fz4A1 ILE 168 H -0.08 0.07 -0.05 -0.55 8.25 7.64 2fz4A1 ILE 168 HA -0.08 0.13 0.54 -0.75 4.18 4.02 2fz4A1 ILE 168 HB -0.02 0.08 -0.16 -0.04 1.89 1.75 2fz4A1 ILE 168 HG12 -0.01 -0.01 -0.03 -0.04 1.49 1.40 2fz4A1 ILE 168 HG13 -0.04 0.03 -0.19 -0.04 1.21 0.96 2fz4A1 ILE 168 HG23 -0.01 0.02 -0.08 -0.04 0.93 0.82 2fz4A1 ILE 168 HD13 -0.03 0.00 0.04 -0.04 0.88 0.86 2fz4A1 LYS 169 H -0.16 0.20 0.05 -0.55 8.42 7.96 2fz4A1 LYS 169 HA -0.75 0.08 1.12 -0.75 4.32 4.02 2fz4A1 LYS 169 HB2 -0.26 0.02 0.22 -0.04 1.87 1.81 2fz4A1 LYS 169 HB3 -1.18 0.03 0.06 -0.04 1.79 0.66 2fz4A1 LYS 169 HG2 -0.30 -0.07 -0.18 -0.04 1.46 0.87 2fz4A1 LYS 169 HG3 -0.26 0.01 -0.03 -0.04 1.46 1.14 2fz4A1 LYS 169 HD2 -0.79 0.01 -0.12 -0.04 1.69 0.75 2fz4A1 LYS 169 HD3 -0.76 0.01 -0.21 -0.04 1.68 0.67 2fz4A1 LYS 169 HE2 -0.16 0.07 -0.16 -0.04 2.99 2.70 2fz4A1 LYS 169 HE3 -0.13 0.01 -0.11 -0.04 2.99 2.72 2fz4A1 GLU 170 H 0.04 0.71 0.17 -0.55 8.60 8.97 2fz4A1 GLU 170 HA 0.09 0.19 0.94 -0.75 4.29 4.76 2fz4A1 GLU 170 HB2 0.07 0.06 -0.00 -0.04 2.09 2.18 2fz4A1 GLU 170 HB3 0.04 -0.04 -0.04 -0.04 1.99 1.91 2fz4A1 GLU 170 HG2 0.07 0.52 0.24 -0.04 2.34 3.14 2fz4A1 GLU 170 HG3 0.10 -0.03 -0.10 -0.04 2.34 2.27 2fz4A1 LEU 171 H 0.13 0.20 0.02 -0.55 8.37 8.17 2fz4A1 LEU 171 HA 0.22 0.16 0.89 -0.75 4.35 4.87 2fz4A1 LEU 171 HB2 0.07 -0.01 0.15 -0.04 1.64 1.81 2fz4A1 LEU 171 HB3 0.04 0.10 -0.02 -0.04 1.64 1.72 2fz4A1 LEU 171 HG 0.30 -0.11 -0.40 -0.04 1.64 1.39 2fz4A1 LEU 171 HD13 0.07 0.01 -0.05 -0.04 0.93 0.92 2fz4A1 LEU 171 HD23 0.00 0.02 -0.14 -0.04 0.89 0.73 2fz4A1 LYS 172 H 0.17 0.11 -0.12 -0.55 8.42 8.03 2fz4A1 LYS 172 HA 0.11 0.22 0.73 -0.75 4.32 4.62 2fz4A1 LYS 172 HB2 0.13 -0.16 -0.22 -0.04 1.87 1.58 2fz4A1 LYS 172 HB3 0.16 0.41 -0.14 -0.04 1.79 2.18 2fz4A1 LYS 172 HG2 0.11 0.04 -0.58 -0.04 1.46 0.98 2fz4A1 LYS 172 HG3 0.11 0.08 -0.06 -0.04 1.46 1.55 2fz4A1 LYS 172 HD2 0.09 -0.13 -0.49 -0.04 1.69 1.12 2fz4A1 LYS 172 HD3 0.09 -0.11 -0.33 -0.04 1.68 1.29 2fz4A1 LYS 172 HE2 0.05 0.03 -0.08 -0.04 2.99 2.95 2fz4A1 LYS 172 HE3 0.05 -0.13 -0.10 -0.04 2.99 2.77 2fz4A1 PRO 173 HA 0.10 0.04 0.41 -0.51 4.44 4.48 2fz4A1 PRO 173 HB2 0.11 0.00 -0.03 -0.04 2.28 2.32 2fz4A1 PRO 173 HB3 0.03 0.17 -0.07 -0.04 2.02 2.11 2fz4A1 PRO 173 HG2 0.26 0.06 0.16 -0.04 2.03 2.47 2fz4A1 PRO 173 HG3 0.16 0.05 0.15 -0.04 2.03 2.35 2fz4A1 PRO 173 HD2 0.21 0.05 0.26 -0.04 3.68 4.16 2fz4A1 PRO 173 HD3 0.13 0.19 0.13 -0.04 3.65 4.05 2fz4A1 LEU 174 H 0.16 0.39 -0.36 -0.55 8.37 8.01 2fz4A1 LEU 174 HA 0.04 0.24 0.94 -0.75 4.35 4.82 2fz4A1 LEU 174 HB2 0.07 0.01 0.08 -0.04 1.64 1.76 2fz4A1 LEU 174 HB3 -0.02 -0.07 -0.01 -0.04 1.64 1.49 2fz4A1 LEU 174 HG 0.05 -0.01 -0.29 -0.04 1.64 1.36 2fz4A1 LEU 174 HD13 -0.58 -0.03 -0.14 -0.04 0.93 0.14 2fz4A1 LEU 174 HD23 -0.18 0.05 -0.02 -0.04 0.89 0.70 2fz4A1 THR 175 H -0.04 0.69 0.23 -0.55 8.28 8.62 2fz4A1 THR 175 HA 0.05 0.35 1.15 -0.75 4.39 5.17 2fz4A1 THR 175 HB 0.13 -0.04 -0.13 -0.04 4.32 4.24 2fz4A1 THR 175 HG23 0.32 0.02 -0.11 -0.04 1.22 1.42 2fz4A1 VAL 176 H 0.00 0.58 0.37 -0.55 8.24 8.64 2fz4A1 VAL 176 HA -0.21 0.16 1.03 -0.75 4.13 4.36 2fz4A1 VAL 176 HB -0.15 0.00 0.08 -0.04 2.12 2.02 2fz4A1 VAL 176 HG13 0.03 0.02 -0.15 -0.04 0.97 0.82 2fz4A1 VAL 176 HG23 0.04 0.02 0.02 -0.04 0.95 0.98 2fz4A1 SER 177 H -0.21 1.06 0.48 -0.55 8.46 9.24 2fz4A1 SER 177 HA 0.02 0.19 0.98 -0.75 4.49 4.92 2fz4A1 SER 177 HB2 -0.13 0.05 -0.15 -0.04 3.95 3.67 2fz4A1 SER 177 HB3 -0.12 -0.06 -0.11 -0.04 3.93 3.59 2fz4A1 THR 178 H 0.04 0.15 0.26 -0.55 8.28 8.17 2fz4A1 THR 178 HA 0.01 0.80 0.94 -0.75 4.39 5.38 2fz4A1 THR 178 HB 0.08 -0.16 0.12 -0.04 4.32 4.32 2fz4A1 THR 178 HG23 0.04 0.07 -0.24 -0.04 1.22 1.05 2fz4A1 TYR 179 H 0.25 0.31 0.03 -0.55 8.29 8.33 2fz4A1 TYR 179 HA 0.09 0.14 0.24 -0.75 4.56 4.27 2fz4A1 TYR 179 HB2 0.02 -0.09 0.10 -0.04 3.06 3.05 2fz4A1 TYR 179 HB3 0.04 0.02 -0.05 -0.04 2.98 2.94 2fz4A1 TYR 179 HD2 0.04 -0.05 -0.34 -0.04 7.15 6.76 2fz4A1 TYR 179 HE2 0.02 0.11 -0.10 -0.04 6.85 6.84 2fz4A1 ASP 180 H 0.14 -0.03 -0.31 -0.55 8.40 7.66 2fz4A1 ASP 180 HA 0.11 0.14 0.40 -0.75 4.63 4.52 2fz4A1 ASP 180 HB2 0.08 -0.12 0.14 -0.04 2.71 2.77 2fz4A1 ASP 180 HB3 0.08 0.07 0.02 -0.04 2.70 2.82 2fz4A1 SER 181 H 0.10 -0.02 0.03 -0.55 8.46 8.02 2fz4A1 SER 181 HA 0.14 0.06 0.32 -0.75 4.49 4.26 2fz4A1 SER 181 HB2 0.09 -0.22 0.22 -0.04 3.95 4.00 2fz4A1 SER 181 HB3 0.15 0.09 0.17 -0.04 3.93 4.30 2fz4A1 ALA 182 H 0.09 0.48 -0.41 -0.55 8.40 8.02 2fz4A1 ALA 182 HA 0.01 0.09 0.32 -0.75 4.34 4.00 2fz4A1 ALA 182 HB3 -0.03 0.01 -0.11 -0.04 1.41 1.23 2fz4A1 TYR 183 H 0.22 0.42 -0.11 -0.55 8.29 8.27 2fz4A1 TYR 183 HA 0.04 0.05 0.39 -0.75 4.56 4.29 2fz4A1 TYR 183 HB2 0.08 -0.01 0.18 -0.04 3.06 3.26 2fz4A1 TYR 183 HB3 0.07 0.07 0.28 -0.04 2.98 3.36 2fz4A1 TYR 183 HD2 0.04 0.01 -0.06 -0.04 7.15 7.10 2fz4A1 TYR 183 HE2 0.02 0.02 -0.02 -0.04 6.85 6.83 2fz4A1 VAL 184 H 0.25 0.43 -0.10 -0.55 8.24 8.28 2fz4A1 VAL 184 HA 0.04 0.07 0.42 -0.75 4.13 3.90 2fz4A1 VAL 184 HB 0.15 0.03 0.03 -0.04 2.12 2.28 2fz4A1 VAL 184 HG13 0.09 -0.01 -0.08 -0.04 0.97 0.94 2fz4A1 VAL 184 HG23 0.24 -0.00 -0.00 -0.04 0.95 1.15 2fz4A1 ASN 185 H 0.09 0.42 -0.38 -0.55 8.53 8.12 2fz4A1 ASN 185 HA 0.07 0.14 0.89 -0.75 4.76 5.11 2fz4A1 ASN 185 HB2 0.14 0.12 0.07 -0.04 2.88 3.17 2fz4A1 ASN 185 HB3 0.14 -0.10 0.14 -0.04 2.79 2.93 2fz4A1 ASN 185 HD21 0.19 -0.09 -0.11 -0.04 7.03 6.98 2fz4A1 ASN 185 HD22 0.24 0.53 0.07 -0.04 7.74 8.55 2fz4A1 ALA 186 H -0.05 0.37 -0.44 -0.55 8.40 7.74 2fz4A1 ALA 186 HA -0.02 0.08 0.33 -0.75 4.34 3.97 2fz4A1 ALA 186 HB3 -0.07 0.04 0.06 -0.04 1.41 1.39 2fz4A1 GLU 187 H 0.01 0.13 -0.26 -0.55 8.60 7.93 2fz4A1 GLU 187 HA 0.14 0.02 0.38 -0.75 4.29 4.07 2fz4A1 GLU 187 HB2 0.06 0.05 -0.03 -0.04 2.09 2.12 2fz4A1 GLU 187 HB3 0.02 -0.02 0.08 -0.04 1.99 2.03 2fz4A1 GLU 187 HG2 0.01 0.07 0.06 -0.04 2.34 2.43 2fz4A1 GLU 187 HG3 0.02 -0.13 -0.00 -0.04 2.34 2.19 2fz4A1 LYS 188 H 0.04 0.07 -0.23 -0.55 8.42 7.74 2fz4A1 LYS 188 HA 0.03 0.09 0.41 -0.75 4.32 4.09 2fz4A1 LYS 188 HB2 0.08 -0.06 0.06 -0.04 1.87 1.90 2fz4A1 LYS 188 HB3 0.02 0.07 0.09 -0.04 1.79 1.93 2fz4A1 LYS 188 HG2 -0.07 0.03 -0.23 -0.04 1.46 1.15 2fz4A1 LYS 188 HG3 0.04 0.02 0.03 -0.04 1.46 1.51 2fz4A1 LYS 188 HD2 0.16 -0.03 -0.01 -0.04 1.69 1.77 2fz4A1 LYS 188 HD3 0.48 -0.03 -0.05 -0.04 1.68 2.04 2fz4A1 LYS 188 HE2 0.20 -0.02 -0.03 -0.04 2.99 3.10 2fz4A1 LYS 188 HE3 0.33 0.02 -0.08 -0.04 2.99 3.21 2fz4A1 LEU 189 H -0.07 0.44 -0.14 -0.55 8.37 8.05 2fz4A1 LEU 189 HA -0.04 0.15 0.72 -0.75 4.35 4.43 2fz4A1 LEU 189 HB2 -0.09 0.06 -0.04 -0.04 1.64 1.53 2fz4A1 LEU 189 HB3 -0.03 -0.05 -0.04 -0.04 1.64 1.48 2fz4A1 LEU 189 HG -0.38 0.09 -0.06 -0.04 1.64 1.24 2fz4A1 LEU 189 HD13 -0.29 -0.01 -0.14 -0.04 0.93 0.45 2fz4A1 LEU 189 HD23 -0.86 0.00 -0.16 -0.04 0.89 -0.17 2fz4A1 GLY 190 H -0.02 0.52 -0.09 -0.55 8.43 8.29 2fz4A1 GLY 190 HA2 -0.04 -0.05 0.35 -0.51 4.01 3.76 2fz4A1 GLY 190 HA3 -0.05 0.19 0.39 -0.51 4.01 4.03 2fz4A1 ASN 191 H -0.41 0.18 -0.33 -0.55 8.53 7.42 2fz4A1 ASN 191 HA -0.42 0.17 1.05 -0.75 4.76 4.80 2fz4A1 ASN 191 HB2 -0.44 0.11 0.16 -0.04 2.88 2.67 2fz4A1 ASN 191 HB3 -1.36 -0.08 -0.10 -0.04 2.79 1.21 2fz4A1 ASN 191 HD21 -0.08 -0.04 -0.04 -0.04 7.03 6.83 2fz4A1 ASN 191 HD22 -0.14 0.37 0.05 -0.04 7.74 7.98 2fz4A1 ARG 192 H -0.26 0.39 -0.05 -0.55 8.46 7.99 2fz4A1 ARG 192 HA -0.34 0.39 0.53 -0.75 4.34 4.17 2fz4A1 ARG 192 HB2 -0.87 0.00 0.02 -0.04 1.90 1.01 2fz4A1 ARG 192 HB3 -0.60 -0.02 0.12 -0.04 1.80 1.25 2fz4A1 ARG 192 HG2 -0.23 -0.06 0.00 -0.04 1.67 1.34 2fz4A1 ARG 192 HG3 -0.22 -0.01 0.06 -0.04 1.67 1.46 2fz4A1 ARG 192 HD2 -0.23 -0.06 -0.34 -0.04 3.22 2.55 2fz4A1 ARG 192 HD3 -0.14 -0.06 -0.04 -0.04 3.22 2.94 2fz4A1 PHE 193 H -0.12 0.15 -0.21 -0.55 8.34 7.61 2fz4A1 PHE 193 HA -0.07 0.20 0.89 -0.75 4.62 4.89 2fz4A1 PHE 193 HB2 -0.12 -0.04 -0.10 -0.04 3.15 2.85 2fz4A1 PHE 193 HB3 -0.08 0.10 -0.07 -0.04 3.06 2.97 2fz4A1 PHE 193 HD2 -0.11 0.07 -0.35 -0.04 7.28 6.86 2fz4A1 PHE 193 HE2 -0.13 0.06 -0.13 -0.04 7.38 7.14 2fz4A1 PHE 193 HZ -0.09 -0.05 -0.11 -0.04 7.32 7.03 2fz4A1 MET 194 H 0.13 0.51 0.25 -0.55 8.47 8.81 2fz4A1 MET 194 HA -0.05 0.12 0.86 -0.75 4.52 4.70 2fz4A1 MET 194 HB2 0.15 0.07 0.07 -0.04 2.15 2.40 2fz4A1 MET 194 HB3 0.06 -0.02 0.08 -0.04 2.03 2.11 2fz4A1 MET 194 HG2 -0.01 -0.02 -0.14 -0.04 2.63 2.42 2fz4A1 MET 194 HG3 0.05 0.02 -0.01 -0.04 2.56 2.58 2fz4A1 MET 194 HE3 0.06 -0.00 -0.00 -0.04 2.10 2.11 2fz4A1 LEU 195 H 0.17 0.41 0.23 -0.55 8.37 8.63 2fz4A1 LEU 195 HA 0.28 0.31 1.02 -0.75 4.35 5.20 2fz4A1 LEU 195 HB2 0.33 0.01 -0.15 -0.04 1.64 1.79 2fz4A1 LEU 195 HB3 0.14 0.03 0.05 -0.04 1.64 1.81 2fz4A1 LEU 195 HG 0.23 0.04 -0.13 -0.04 1.64 1.74 2fz4A1 LEU 195 HD13 0.01 -0.03 -0.27 -0.04 0.93 0.60 2fz4A1 LEU 195 HD23 0.36 -0.00 -0.21 -0.04 0.89 1.00 2fz4A1 LEU 196 H 0.09 1.07 0.35 -0.55 8.37 9.34 2fz4A1 LEU 196 HA -0.26 0.15 0.99 -0.75 4.35 4.47 2fz4A1 LEU 196 HB2 -0.04 0.13 0.00 -0.04 1.64 1.69 2fz4A1 LEU 196 HB3 -0.21 -0.13 0.03 -0.04 1.64 1.29 2fz4A1 LEU 196 HG -0.14 0.01 -0.12 -0.04 1.64 1.35 2fz4A1 LEU 196 HD13 -0.02 0.00 -0.15 -0.04 0.93 0.73 2fz4A1 LEU 196 HD23 -0.59 -0.01 -0.11 -0.04 0.89 0.14 2fz4A1 ILE 197 H -0.42 0.81 0.38 -0.55 8.25 8.47 2fz4A1 ILE 197 HA -0.25 0.31 1.22 -0.75 4.18 4.71 2fz4A1 ILE 197 HB -0.33 -0.05 0.10 -0.04 1.89 1.56 2fz4A1 ILE 197 HG12 -0.17 0.05 -0.21 -0.04 1.49 1.12 2fz4A1 ILE 197 HG13 -0.15 0.03 -0.42 -0.04 1.21 0.62 2fz4A1 ILE 197 HG23 -0.20 -0.01 -0.16 -0.04 0.93 0.51 2fz4A1 ILE 197 HD13 -0.12 -0.01 -0.17 -0.04 0.88 0.54 2fz4A1 PHE 198 H -0.08 0.61 0.34 -0.55 8.34 8.65 2fz4A1 PHE 198 HA -0.19 0.20 1.06 -0.75 4.62 4.94 2fz4A1 PHE 198 HB2 -0.00 -0.07 0.21 -0.04 3.15 3.24 2fz4A1 PHE 198 HB3 0.07 -0.06 -0.03 -0.04 3.06 2.99 2fz4A1 PHE 198 HD2 -0.04 -0.01 -0.10 -0.04 7.28 7.09 2fz4A1 PHE 198 HE2 0.02 0.03 -0.14 -0.04 7.38 7.25 2fz4A1 PHE 198 HZ -0.00 0.04 -0.17 -0.04 7.32 7.14 2fz4A1 ASP 199 H -0.07 0.84 0.26 -0.55 8.40 8.88 2fz4A1 ASP 199 HA 0.05 0.11 0.77 -0.75 4.63 4.81 2fz4A1 ASP 199 HB2 -0.34 0.02 -0.00 -0.04 2.71 2.35 2fz4A1 ASP 199 HB3 -0.05 -0.01 0.32 -0.04 2.70 2.91 2fz4A1 GLU 200 H 0.03 0.48 0.17 -0.55 8.60 8.72 2fz4A1 GLU 200 HA 0.01 0.02 0.57 -0.75 4.29 4.13 2fz4A1 GLU 200 HB2 -0.26 0.18 0.16 -0.04 2.09 2.14 2fz4A1 GLU 200 HB3 -0.37 -0.17 0.07 -0.04 1.99 1.48 2fz4A1 GLU 200 HG2 -0.10 -0.14 0.04 -0.04 2.34 2.10 2fz4A1 GLU 200 HG3 0.06 -0.00 -0.12 -0.04 2.34 2.23 2fz4A1 VAL 201 H -0.05 0.31 0.18 -0.55 8.24 8.13 2fz4A1 VAL 201 HA -0.07 0.11 0.75 -0.75 4.13 4.16 2fz4A1 VAL 201 HB -0.16 -0.03 0.22 -0.04 2.12 2.12 2fz4A1 VAL 201 HG13 -0.61 0.01 -0.04 -0.04 0.97 0.29 2fz4A1 VAL 201 HG23 0.02 0.04 -0.01 -0.04 0.95 0.97 2fz4A1 HIS 202 H 0.10 0.23 0.10 -0.55 8.41 8.30 2fz4A1 HIS 202 HA -0.03 0.02 0.29 -0.75 4.63 4.15 2fz4A1 HIS 202 HB2 -0.02 0.26 0.19 -0.04 3.26 3.65 2fz4A1 HIS 202 HB3 -0.01 -0.02 0.18 -0.04 3.20 3.30 2fz4A1 HIS 202 HD2 -0.01 0.01 -0.03 -0.04 6.97 6.90 2fz4A1 HIS 202 HE1 0.01 -0.12 0.00 -0.04 7.75 7.60 2fz4A1 HIS 203 H -0.09 -0.07 -0.96 -0.55 8.41 6.74 2fz4A1 HIS 203 HA -0.11 -0.09 0.21 -0.75 4.63 3.89 2fz4A1 HIS 203 HB2 -0.04 0.24 -0.26 -0.04 3.26 3.17 2fz4A1 HIS 203 HB3 -0.08 0.01 -0.07 -0.04 3.20 3.01 2fz4A1 HIS 203 HD2 -0.04 0.02 -0.15 -0.04 6.97 6.75 2fz4A1 HIS 203 HE1 -0.18 0.00 -0.07 -0.04 7.75 7.46 2fz4A1 LEU 204 H -0.04 0.13 0.10 -0.55 8.37 8.01 2fz4A1 LEU 204 HA -0.19 0.30 0.96 -0.75 4.35 4.66 2fz4A1 LEU 204 HB2 -0.59 -0.03 0.06 -0.04 1.64 1.04 2fz4A1 LEU 204 HB3 -0.58 -0.06 0.00 -0.04 1.64 0.96 2fz4A1 LEU 204 HG -2.27 -0.03 -0.03 -0.04 1.64 -0.72 2fz4A1 LEU 204 HD13 -0.40 -0.00 0.08 -0.04 0.93 0.57 2fz4A1 LEU 204 HD23 -0.29 0.07 -0.24 -0.04 0.89 0.39 2fz4A1 PRO 205 HA -0.03 0.13 0.41 -0.51 4.44 4.44 2fz4A1 PRO 205 HB2 -0.04 -0.15 0.13 -0.04 2.28 2.18 2fz4A1 PRO 205 HB3 -0.04 0.12 0.12 -0.04 2.02 2.17 2fz4A1 PRO 205 HG2 -0.08 0.08 0.10 -0.04 2.03 2.09 2fz4A1 PRO 205 HG3 -0.06 0.14 0.13 -0.04 2.03 2.20 2fz4A1 PRO 205 HD2 -0.19 0.05 0.21 -0.04 3.68 3.71 2fz4A1 PRO 205 HD3 -0.13 0.31 0.27 -0.04 3.65 4.06 2fz4A1 ALA 206 H -0.00 0.27 0.16 -0.55 8.40 8.28 2fz4A1 ALA 206 HA 0.08 0.06 0.59 -0.75 4.34 4.31 2fz4A1 ALA 206 HB3 -0.00 0.05 0.14 -0.04 1.41 1.56 2fz4A1 GLU 207 H 0.00 -0.19 -0.79 -0.55 8.60 7.08 2fz4A1 GLU 207 HA 0.01 0.26 0.75 -0.75 4.29 4.56 2fz4A1 GLU 207 HB2 -0.02 -0.06 -0.05 -0.04 2.09 1.91 2fz4A1 GLU 207 HB3 0.01 0.08 0.02 -0.04 1.99 2.06 2fz4A1 GLU 207 HG2 -0.01 -0.09 -0.34 -0.04 2.34 1.85 2fz4A1 GLU 207 HG3 -0.01 0.02 -0.07 -0.04 2.34 2.24 2fz4A1 SER 208 H 0.03 -0.02 -0.19 -0.55 8.46 7.74 2fz4A1 SER 208 HA 0.12 0.23 0.71 -0.75 4.49 4.80 2fz4A1 SER 208 HB2 0.03 -0.06 0.13 -0.04 3.95 4.01 2fz4A1 SER 208 HB3 0.23 0.02 -0.02 -0.04 3.93 4.12 2fz4A1 TYR 209 H 0.17 0.50 0.09 -0.55 8.29 8.49 2fz4A1 TYR 209 HA -0.03 0.06 0.31 -0.75 4.56 4.14 2fz4A1 TYR 209 HB2 -0.02 -0.08 0.05 -0.04 3.06 2.96 2fz4A1 TYR 209 HB3 -0.08 0.33 0.15 -0.04 2.98 3.33 2fz4A1 TYR 209 HD2 -0.78 -0.02 -0.06 -0.04 7.15 6.26 2fz4A1 TYR 209 HE2 -0.27 0.03 -0.09 -0.04 6.85 6.48 2fz4A1 VAL 210 H -0.28 0.11 -0.08 -0.55 8.24 7.45 2fz4A1 VAL 210 HA -0.91 0.07 0.26 -0.75 4.13 2.78 2fz4A1 VAL 210 HB -0.17 0.24 -0.05 -0.04 2.12 2.10 2fz4A1 VAL 210 HG13 -0.25 0.01 -0.08 -0.04 0.97 0.62 2fz4A1 VAL 210 HG23 -0.20 -0.03 0.10 -0.04 0.95 0.78 2fz4A1 GLN 211 H -0.07 -0.02 -0.75 -0.55 8.47 7.09 2fz4A1 GLN 211 HA -0.06 0.05 0.30 -0.75 4.36 3.90 2fz4A1 GLN 211 HB2 0.19 0.12 -0.10 -0.04 2.15 2.32 2fz4A1 GLN 211 HB3 0.06 0.00 -0.03 -0.04 2.02 2.01 2fz4A1 GLN 211 HG2 0.04 -0.24 -0.04 -0.04 2.40 2.12 2fz4A1 GLN 211 HG3 0.19 0.09 0.10 -0.04 2.39 2.73 2fz4A1 GLN 211 HE21 -0.02 0.01 -0.03 -0.04 6.97 6.89 2fz4A1 GLN 211 HE22 -0.03 0.04 0.01 -0.04 7.69 7.67 2fz4A1 ILE 212 H 0.03 0.43 -0.26 -0.55 8.25 7.90 2fz4A1 ILE 212 HA 0.03 0.04 0.30 -0.75 4.18 3.80 2fz4A1 ILE 212 HB 0.18 0.05 0.05 -0.04 1.89 2.13 2fz4A1 ILE 212 HG12 0.14 -0.04 -0.15 -0.04 1.49 1.40 2fz4A1 ILE 212 HG13 0.19 0.45 0.11 -0.04 1.21 1.93 2fz4A1 ILE 212 HG23 0.10 -0.01 -0.25 -0.04 0.93 0.73 2fz4A1 ILE 212 HD13 0.12 -0.03 -0.10 -0.04 0.88 0.83 2fz4A1 ALA 213 H -0.06 0.41 -0.16 -0.55 8.40 8.03 2fz4A1 ALA 213 HA 0.21 0.03 0.30 -0.75 4.34 4.13 2fz4A1 ALA 213 HB3 -0.11 0.01 0.00 -0.04 1.41 1.27 2fz4A1 GLN 214 H -0.16 0.48 -0.14 -0.55 8.47 8.10 2fz4A1 GLN 214 HA -0.19 -0.02 0.37 -0.75 4.36 3.77 2fz4A1 GLN 214 HB2 -0.26 0.07 0.12 -0.04 2.15 2.04 2fz4A1 GLN 214 HB3 -0.07 0.14 0.08 -0.04 2.02 2.13 2fz4A1 GLN 214 HG2 0.09 -0.00 -0.04 -0.04 2.40 2.41 2fz4A1 GLN 214 HG3 -0.10 -0.06 0.08 -0.04 2.39 2.27 2fz4A1 GLN 214 HE21 -0.05 -0.03 -0.01 -0.04 6.97 6.83 2fz4A1 GLN 214 HE22 -0.06 -0.01 0.01 -0.04 7.69 7.58 2fz4A1 MET 215 H 0.03 0.37 -0.37 -0.55 8.47 7.96 2fz4A1 MET 215 HA 0.11 0.14 0.83 -0.75 4.52 4.84 2fz4A1 MET 215 HB2 0.03 0.06 0.02 -0.04 2.15 2.21 2fz4A1 MET 215 HB3 0.06 -0.13 0.14 -0.04 2.03 2.06 2fz4A1 MET 215 HG2 -0.01 0.32 0.08 -0.04 2.63 2.98 2fz4A1 MET 215 HG3 -0.05 -0.09 -0.00 -0.04 2.56 2.38 2fz4A1 MET 215 HE3 -0.04 0.01 -0.00 -0.04 2.10 2.03 2fz4A1 SER 216 H 0.10 0.49 -0.21 -0.55 8.46 8.30 2fz4A1 SER 216 HA 0.02 0.13 0.89 -0.75 4.49 4.78 2fz4A1 SER 216 HB2 0.02 -0.04 -0.00 -0.04 3.95 3.89 2fz4A1 SER 216 HB3 0.07 0.18 0.13 -0.04 3.93 4.26 2fz4A1 ILE 217 H -0.11 0.71 0.27 -0.55 8.25 8.57 2fz4A1 ILE 217 HA 0.03 0.28 0.37 -0.75 4.18 4.11 2fz4A1 ILE 217 HB -0.69 -0.10 0.02 -0.04 1.89 1.08 2fz4A1 ILE 217 HG12 -0.31 0.17 0.20 -0.04 1.49 1.51 2fz4A1 ILE 217 HG13 -0.37 0.08 -0.42 -0.04 1.21 0.46 2fz4A1 ILE 217 HG23 -0.17 0.02 -0.13 -0.04 0.93 0.61 2fz4A1 ILE 217 HD13 -0.65 -0.01 -0.11 -0.04 0.88 0.08 2fz4A1 ALA 218 H -0.05 -0.00 -0.18 -0.55 8.40 7.63 2fz4A1 ALA 218 HA -0.08 0.13 0.36 -0.75 4.34 4.01 2fz4A1 ALA 218 HB3 0.02 -0.01 -0.25 -0.04 1.41 1.13 2fz4A1 PRO 219 HA -0.05 0.04 0.60 -0.51 4.44 4.53 2fz4A1 PRO 219 HB2 -0.57 0.01 0.10 -0.04 2.28 1.78 2fz4A1 PRO 219 HB3 -0.08 -0.08 0.17 -0.04 2.02 1.99 2fz4A1 PRO 219 HG2 -1.08 0.11 0.16 -0.04 2.03 1.18 2fz4A1 PRO 219 HG3 -0.23 -0.05 0.10 -0.04 2.03 1.81 2fz4A1 PRO 219 HD2 -0.16 0.01 0.34 -0.04 3.68 3.82 2fz4A1 PRO 219 HD3 -0.02 0.15 0.11 -0.04 3.65 3.84 2fz4A1 PHE 220 H -0.15 0.45 -0.10 -0.55 8.34 7.98 2fz4A1 PHE 220 HA 0.10 0.47 1.27 -0.75 4.62 5.71 2fz4A1 PHE 220 HB2 0.16 -0.12 0.25 -0.04 3.15 3.39 2fz4A1 PHE 220 HB3 0.24 -0.02 0.07 -0.04 3.06 3.31 2fz4A1 PHE 220 HD2 0.03 0.11 -0.11 -0.04 7.28 7.26 2fz4A1 PHE 220 HE2 0.02 -0.02 -0.07 -0.04 7.38 7.26 2fz4A1 PHE 220 HZ 0.03 -0.04 -0.04 -0.04 7.32 7.22 2fz4A1 ARG 221 H 0.39 0.47 0.41 -0.55 8.46 9.18 2fz4A1 ARG 221 HA 0.21 0.31 1.16 -0.75 4.34 5.26 2fz4A1 ARG 221 HB2 0.28 -0.04 0.06 -0.04 1.90 2.16 2fz4A1 ARG 221 HB3 0.30 -0.12 -0.10 -0.04 1.80 1.85 2fz4A1 ARG 221 HG2 0.24 -0.12 -0.12 -0.04 1.67 1.63 2fz4A1 ARG 221 HG3 0.15 0.12 -0.35 -0.04 1.67 1.55 2fz4A1 ARG 221 HD2 0.18 0.06 -0.20 -0.04 3.22 3.22 2fz4A1 ARG 221 HD3 0.19 -0.12 -0.11 -0.04 3.22 3.14 2fz4A1 LEU 222 H 0.07 0.73 0.33 -0.55 8.37 8.96 2fz4A1 LEU 222 HA 0.05 0.31 0.99 -0.75 4.35 4.95 2fz4A1 LEU 222 HB2 -0.83 0.07 -0.18 -0.04 1.64 0.66 2fz4A1 LEU 222 HB3 -0.29 -0.02 0.07 -0.04 1.64 1.35 2fz4A1 LEU 222 HG -0.36 -0.08 -0.36 -0.04 1.64 0.80 2fz4A1 LEU 222 HD13 -1.34 0.01 -0.08 -0.04 0.93 -0.51 2fz4A1 LEU 222 HD23 -0.70 -0.02 -0.16 -0.04 0.89 -0.02 2fz4A1 GLY 223 H 0.10 0.50 0.34 -0.55 8.43 8.83 2fz4A1 GLY 223 HA2 0.15 0.08 0.97 -0.51 4.01 4.71 2fz4A1 GLY 223 HA3 0.11 -0.02 0.37 -0.51 4.01 3.96 2fz4A1 LEU 224 H 0.03 0.68 0.46 -0.55 8.37 8.99 2fz4A1 LEU 224 HA -0.02 0.30 1.18 -0.75 4.35 5.05 2fz4A1 LEU 224 HB2 0.07 -0.02 0.12 -0.04 1.64 1.77 2fz4A1 LEU 224 HB3 0.06 -0.08 -0.04 -0.04 1.64 1.54 2fz4A1 LEU 224 HG -0.07 0.04 -0.45 -0.04 1.64 1.13 2fz4A1 LEU 224 HD13 0.14 -0.01 -0.19 -0.04 0.93 0.83 2fz4A1 LEU 224 HD23 -0.08 0.02 -0.11 -0.04 0.89 0.68 2fz4A1 THR 225 H -0.02 0.47 0.33 -0.55 8.28 8.51 2fz4A1 THR 225 HA -0.05 0.26 0.86 -0.75 4.39 4.71 2fz4A1 THR 225 HB -0.10 -0.00 -0.10 -0.04 4.32 4.08 2fz4A1 THR 225 HG23 -0.45 0.03 -0.04 -0.04 1.22 0.71 2fz4A1 ALA 226 H 0.01 0.20 0.12 -0.55 8.40 8.19 2fz4A1 ALA 226 HA 0.03 0.32 0.91 -0.75 4.34 4.85 2fz4A1 ALA 226 HB3 0.07 0.10 0.06 -0.04 1.41 1.60 2fz4A1 THR 227 H -0.02 0.47 0.19 -0.55 8.28 8.37 2fz4A1 THR 227 HA -0.17 -0.03 0.31 -0.75 4.39 3.74 2fz4A1 THR 227 HB -0.47 -0.02 0.05 -0.04 4.32 3.84 2fz4A1 THR 227 HG23 -0.08 -0.01 -0.05 -0.04 1.22 1.04 2fz4A1 PHE 228 H 0.07 0.51 -0.18 -0.55 8.34 8.18 2fz4A1 PHE 228 HA -0.00 0.08 1.12 -0.75 4.62 5.06 2fz4A1 PHE 228 HB2 0.00 0.21 0.22 -0.04 3.15 3.54 2fz4A1 PHE 228 HB3 -0.00 -0.07 -0.00 -0.04 3.06 2.94 2fz4A1 PHE 228 HD2 -0.01 0.01 0.02 -0.04 7.28 7.25 2fz4A1 PHE 228 HE2 -0.02 -0.03 -0.01 -0.04 7.38 7.28 2fz4A1 PHE 228 HZ -0.02 -0.01 -0.02 -0.04 7.32 7.23 2fz4A1 GLU 229 H 0.09 0.14 0.10 -0.55 8.60 8.39 2fz4A1 GLU 229 HA 0.11 0.03 0.22 -0.75 4.29 3.89 2fz4A1 GLU 229 HB2 0.10 -0.04 -0.13 -0.04 2.09 1.98 2fz4A1 GLU 229 HB3 0.11 0.34 0.12 -0.04 1.99 2.51 2fz4A1 GLU 229 HG2 0.10 -0.01 0.08 -0.04 2.34 2.46 2fz4A1 GLU 229 HG3 0.07 -0.01 0.03 -0.04 2.34 2.39