============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TRP 3 1.040 21.764 6.947 47.389 -99.200 -91.000 TRP6 3 1.020 20.086 7.916 46.025 -99.200 -91.000 TYR 26 0.840 6.013 -7.024 38.091 -99.200 -91.000 TYR 36 0.840 -4.860 -9.932 32.198 -99.200 -91.000 TYR 42 0.840 -5.527 -5.844 21.674 -99.200 -91.000 PHE 43 1.000 -8.290 -12.069 25.563 -99.200 -91.000 TYR 44 0.840 -16.707 -11.383 23.128 -99.200 -91.000 TYR 46 0.840 -18.424 -12.173 27.632 -99.200 -91.000 TYR 57 0.840 -4.037 -3.629 33.767 -99.200 -91.000 TYR 74 0.840 17.088 11.255 28.174 -99.200 -91.000 TYR 76 0.840 20.495 3.612 29.854 -99.200 -91.000 TYR 77 0.840 12.503 -0.585 27.371 -99.200 -91.000 PHE 78 1.000 20.064 -5.165 27.632 -99.200 -91.000 PHE 84 1.000 11.342 -1.404 18.966 -99.200 -91.000 PHE 86 1.000 16.737 -6.834 11.945 -99.200 -91.000 PHE 103 1.000 25.067 -1.407 14.975 -99.200 -91.000 PHE 106 1.000 16.952 -2.333 15.216 -99.200 -91.000 PHE 115 1.000 8.567 0.445 15.112 -99.200 -91.000 PHE 120 1.000 1.434 -3.932 34.890 -99.200 -91.000 TYR 126 0.840 21.688 4.702 38.057 -99.200 -91.000 HIS 141 0.900 19.508 6.562 26.960 -99.200 -91.000 TYR 153 0.840 9.810 -4.049 41.617 -99.200 -91.000 TYR 166 0.840 5.221 4.875 26.475 -99.200 -91.000 HIS 182 0.900 31.077 -5.084 19.118 -99.200 -91.000 TYR 183 0.840 24.905 -6.069 24.614 -99.200 -91.000 PHE 196 1.000 -10.796 7.542 24.889 -99.200 -91.000 TRP 206 1.040 -12.046 12.384 22.752 -99.200 -91.000 TRP6 206 1.020 -12.226 11.737 20.480 -99.200 -91.000 TYR 211 0.840 -15.988 14.093 15.877 -99.200 -91.000 TRP 214 1.040 -19.418 15.502 11.949 -99.200 -91.000 TRP6 214 1.020 -20.415 13.531 11.106 -99.200 -91.000 TYR 229 0.840 -21.039 4.391 5.364 -99.200 -91.000 TYR 234 0.840 -22.608 -0.925 6.691 -99.200 -91.000 TYR 240 0.840 -19.713 2.649 -7.378 -99.200 -91.000 TYR 277 0.840 -7.646 -0.452 19.783 -99.200 -91.000 PHE 285 1.000 -5.133 -7.001 6.837 -99.200 -91.000 TYR 294 0.840 -8.775 -15.430 8.468 -99.200 -91.000 PHE 296 1.000 -3.498 -15.027 10.549 -99.200 -91.000 PHE 305 1.000 -1.447 -10.835 7.838 -99.200 -91.000 TRP 309 1.040 -0.561 -8.106 4.498 -99.200 -91.000 TRP6 309 1.020 -1.378 -6.522 2.935 -99.200 -91.000 TYR 316 0.840 -8.975 -1.203 4.977 -99.200 -91.000 PHE 319 1.000 -16.699 6.698 2.502 -99.200 -91.000 PHE 332 1.000 -16.630 -6.119 15.792 -99.200 -91.000 TYR 351 0.840 -18.108 8.118 19.193 -99.200 -91.000 TYR 358 0.840 -28.231 2.159 13.618 -99.200 -91.000 TYR 360 0.840 -19.295 1.732 22.813 -99.200 -91.000 HIS 366 0.900 -13.688 8.070 -0.799 -99.200 -91.000 PHE 370 1.000 -5.860 2.865 7.430 -99.200 -91.000 TYR 378 0.840 -5.098 -11.314 20.710 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2wn5A1 LYS 24 HA -0.07 -0.00 0.21 -0.75 4.32 3.71 2wn5A1 GLU 25 H 0.05 0.29 0.11 -0.55 8.60 8.51 2wn5A1 GLU 25 HA -0.06 0.06 0.33 -0.75 4.29 3.87 2wn5A1 TRP 26 H 0.25 0.17 -0.41 -0.55 7.97 7.43 2wn5A1 TRP 26 HA 0.01 0.07 0.48 -0.75 4.62 4.42 2wn5A1 TRP 26 HB2 0.01 0.03 0.05 -0.04 3.23 3.27 2wn5A1 TRP 26 HB3 0.01 0.01 0.05 -0.04 3.23 3.26 2wn5A1 TRP 26 HD1 0.00 0.02 -0.05 -0.04 7.22 7.15 2wn5A1 TRP 26 HE1 0.01 0.04 -0.01 -0.04 10.20 10.19 2wn5A1 TRP 26 HE3 0.02 -0.05 -0.20 -0.04 7.59 7.33 2wn5A1 TRP 26 HZ2 0.06 0.02 -0.02 -0.04 7.44 7.46 2wn5A1 TRP 26 HZ3 0.04 0.02 -0.06 -0.04 7.13 7.09 2wn5A1 TRP 26 HH2 0.07 0.03 -0.03 -0.04 7.19 7.21 2wn5A1 GLU 27 H -0.85 0.54 -0.15 -0.55 8.60 7.59 2wn5A1 GLU 27 HA -0.81 0.07 0.44 -0.75 4.29 3.22 2wn5A1 ARG 28 H -0.19 0.22 -0.18 -0.55 8.46 7.76 2wn5A1 ARG 28 HA -0.10 0.09 0.47 -0.75 4.34 4.05 2wn5A1 ARG 28 HB2 -0.09 0.02 0.03 -0.04 1.90 1.82 2wn5A1 ARG 28 HB3 -0.06 0.09 0.08 -0.04 1.80 1.87 2wn5A1 ARG 28 HG2 -0.02 -0.03 -0.19 -0.04 1.67 1.38 2wn5A1 ARG 28 HG3 -0.05 0.00 -0.02 -0.04 1.67 1.56 2wn5A1 ARG 28 HD2 -0.04 0.09 -0.11 -0.04 3.22 3.12 2wn5A1 ARG 28 HD3 -0.03 -0.04 -0.04 -0.04 3.22 3.07 2wn5A1 LYS 29 H -0.01 0.31 -0.20 -0.55 8.42 7.97 2wn5A1 LYS 29 HA 0.02 0.05 0.47 -0.75 4.32 4.11 2wn5A1 LYS 29 HB2 0.11 0.08 0.15 -0.04 1.87 2.17 2wn5A1 LYS 29 HB3 0.07 -0.02 0.02 -0.04 1.79 1.82 2wn5A1 LYS 29 HG2 0.03 0.09 0.07 -0.04 1.46 1.61 2wn5A1 LYS 29 HG3 0.07 -0.04 -0.00 -0.04 1.46 1.45 2wn5A1 LYS 29 HD2 0.04 -0.01 0.01 -0.04 1.69 1.70 2wn5A1 LYS 29 HD3 0.03 -0.00 0.01 -0.04 1.68 1.67 2wn5A1 LYS 29 HE2 0.02 0.01 -0.02 -0.04 2.99 2.97 2wn5A1 LYS 29 HE3 0.04 -0.02 -0.02 -0.04 2.99 2.95 2wn5A1 GLU 30 H 0.05 0.53 -0.17 -0.55 8.60 8.46 2wn5A1 GLU 30 HA 0.09 0.02 0.48 -0.75 4.29 4.13 2wn5A1 GLU 30 HB2 0.27 0.00 0.11 -0.04 2.09 2.43 2wn5A1 GLU 30 HB3 0.02 0.10 0.16 -0.04 1.99 2.23 2wn5A1 GLU 30 HG2 0.18 -0.01 -0.02 -0.04 2.34 2.45 2wn5A1 GLU 30 HG3 0.07 0.03 -0.22 -0.04 2.34 2.18 2wn5A1 ALA 31 H -0.03 0.40 -0.27 -0.55 8.40 7.96 2wn5A1 ALA 31 HA 0.01 0.08 0.38 -0.75 4.34 4.07 2wn5A1 ALA 31 HB3 -0.03 0.03 -0.07 -0.04 1.41 1.30 2wn5A1 GLU 32 H 0.01 0.40 -0.26 -0.55 8.60 8.21 2wn5A1 GLU 32 HA 0.03 0.01 0.50 -0.75 4.29 4.06 2wn5A1 GLU 32 HB2 0.02 0.18 0.19 -0.04 2.09 2.44 2wn5A1 GLU 32 HB3 0.02 -0.06 0.02 -0.04 1.99 1.94 2wn5A1 GLU 32 HG2 0.02 -0.04 0.04 -0.04 2.34 2.31 2wn5A1 GLU 32 HG3 0.01 0.18 0.08 -0.04 2.34 2.57 2wn5A1 ARG 33 H 0.04 0.43 -0.18 -0.55 8.46 8.20 2wn5A1 ARG 33 HA 0.03 -0.00 0.45 -0.75 4.34 4.06 2wn5A1 ARG 33 HB2 0.05 0.01 0.13 -0.04 1.90 2.04 2wn5A1 ARG 33 HB3 0.05 0.15 0.16 -0.04 1.80 2.12 2wn5A1 ARG 33 HG2 0.03 0.02 -0.09 -0.04 1.67 1.58 2wn5A1 ARG 33 HG3 0.03 -0.05 0.04 -0.04 1.67 1.65 2wn5A1 ARG 33 HD2 0.04 -0.03 -0.02 -0.04 3.22 3.17 2wn5A1 ARG 33 HD3 0.06 -0.04 -0.00 -0.04 3.22 3.20 2wn5A1 ILE 34 H 0.03 0.51 -0.11 -0.55 8.25 8.14 2wn5A1 ILE 34 HA 0.02 0.02 0.48 -0.75 4.18 3.96 2wn5A1 ILE 34 HB 0.03 0.16 0.17 -0.04 1.89 2.21 2wn5A1 ILE 34 HG12 0.04 0.23 0.11 -0.04 1.49 1.83 2wn5A1 ILE 34 HG13 0.04 -0.03 0.04 -0.04 1.21 1.21 2wn5A1 ILE 34 HG23 0.02 -0.01 -0.00 -0.04 0.93 0.90 2wn5A1 ILE 34 HD13 0.04 -0.02 0.01 -0.04 0.88 0.86 2wn5A1 GLU 35 H 0.03 0.44 -0.22 -0.55 8.60 8.31 2wn5A1 GLU 35 HA 0.01 0.01 0.46 -0.75 4.29 4.02 2wn5A1 GLU 35 HB2 0.03 0.13 0.25 -0.04 2.09 2.47 2wn5A1 GLU 35 HB3 0.02 -0.06 -0.00 -0.04 1.99 1.91 2wn5A1 GLU 35 HG2 0.03 -0.07 0.08 -0.04 2.34 2.33 2wn5A1 GLU 35 HG3 0.04 0.05 0.11 -0.04 2.34 2.50 2wn5A1 GLN 36 H 0.02 0.36 -0.35 -0.55 8.47 7.95 2wn5A1 GLN 36 HA 0.01 0.05 0.54 -0.75 4.36 4.19 2wn5A1 GLN 36 HB2 0.02 0.17 0.09 -0.04 2.15 2.39 2wn5A1 GLN 36 HB3 0.01 -0.08 0.12 -0.04 2.02 2.03 2wn5A1 GLN 36 HG2 0.02 0.15 0.05 -0.04 2.40 2.58 2wn5A1 GLN 36 HG3 0.01 -0.06 0.03 -0.04 2.39 2.33 2wn5A1 GLN 36 HE21 0.01 -0.06 0.02 -0.04 6.97 6.89 2wn5A1 GLN 36 HE22 0.01 0.01 0.05 -0.04 7.69 7.72 2wn5A1 LYS 37 H 0.01 0.45 -0.38 -0.55 8.42 7.95 2wn5A1 LYS 37 HA 0.01 0.02 0.66 -0.75 4.32 4.26 2wn5A1 LYS 37 HB2 0.01 0.28 0.15 -0.04 1.87 2.26 2wn5A1 LYS 37 HB3 0.00 -0.05 0.09 -0.04 1.79 1.79 2wn5A1 LYS 37 HG2 0.01 -0.08 0.07 -0.04 1.46 1.42 2wn5A1 LYS 37 HG3 0.01 0.06 0.06 -0.04 1.46 1.55 2wn5A1 LYS 37 HD2 0.02 -0.09 0.01 -0.04 1.69 1.59 2wn5A1 LYS 37 HD3 0.02 0.03 0.08 -0.04 1.68 1.77 2wn5A1 LYS 37 HE2 0.01 0.12 0.04 -0.04 2.99 3.12 2wn5A1 LYS 37 HE3 0.01 -0.09 0.07 -0.04 2.99 2.94 2wn5A1 LEU 38 H -0.00 0.31 -0.36 -0.55 8.37 7.78 2wn5A1 LEU 38 HA -0.02 0.04 0.46 -0.75 4.35 4.08 2wn5A1 LEU 38 HB2 -0.02 0.12 0.08 -0.04 1.64 1.78 2wn5A1 LEU 38 HB3 -0.03 -0.19 0.02 -0.04 1.64 1.40 2wn5A1 LEU 38 HG -0.01 0.16 0.07 -0.04 1.64 1.82 2wn5A1 LEU 38 HD13 -0.05 -0.03 -0.08 -0.04 0.93 0.74 2wn5A1 LEU 38 HD23 -0.03 -0.02 -0.06 -0.04 0.89 0.74 2wn5A1 GLU 39 H -0.02 0.10 0.17 -0.55 8.60 8.30 2wn5A1 GLU 39 HA -0.01 0.17 0.60 -0.75 4.29 4.30 2wn5A1 GLU 39 HB2 -0.02 -0.09 0.12 -0.04 2.09 2.06 2wn5A1 GLU 39 HB3 -0.01 -0.12 0.13 -0.04 1.99 1.96 2wn5A1 GLU 39 HG2 -0.01 0.11 0.10 -0.04 2.34 2.49 2wn5A1 GLU 39 HG3 -0.01 0.00 0.06 -0.04 2.34 2.35 2wn5A1 ARG 40 H -0.01 0.19 0.18 -0.55 8.46 8.27 2wn5A1 ARG 40 HA -0.01 0.17 0.44 -0.75 4.34 4.18 2wn5A1 ARG 40 HB2 -0.01 -0.04 0.15 -0.04 1.90 1.96 2wn5A1 ARG 40 HB3 -0.01 0.03 0.06 -0.04 1.80 1.84 2wn5A1 ARG 40 HG2 -0.00 0.02 0.12 -0.04 1.67 1.77 2wn5A1 ARG 40 HG3 -0.00 0.02 0.07 -0.04 1.67 1.71 2wn5A1 ARG 40 HD2 -0.00 -0.02 0.04 -0.04 3.22 3.20 2wn5A1 ARG 40 HD3 -0.00 0.04 0.03 -0.04 3.22 3.24 2wn5A1 SER 41 H -0.01 0.11 -0.12 -0.55 8.46 7.89 2wn5A1 SER 41 HA -0.01 0.09 0.39 -0.75 4.49 4.20 2wn5A1 SER 41 HB2 -0.01 0.04 0.02 -0.04 3.95 3.96 2wn5A1 SER 41 HB3 -0.01 0.03 0.07 -0.04 3.93 3.98 2wn5A1 GLU 42 H -0.02 0.08 -0.42 -0.55 8.60 7.69 2wn5A1 GLU 42 HA -0.05 0.05 0.53 -0.75 4.29 4.07 2wn5A1 GLU 42 HB2 -0.03 0.11 0.12 -0.04 2.09 2.24 2wn5A1 GLU 42 HB3 -0.06 0.07 0.02 -0.04 1.99 1.97 2wn5A1 GLU 42 HG2 -0.05 0.25 0.08 -0.04 2.34 2.58 2wn5A1 GLU 42 HG3 -0.03 -0.16 -0.01 -0.04 2.34 2.10 2wn5A1 LYS 43 H -0.03 0.65 -0.05 -0.55 8.42 8.43 2wn5A1 LYS 43 HA -0.04 0.07 0.50 -0.75 4.32 4.10 2wn5A1 LYS 43 HB2 -0.01 0.09 0.16 -0.04 1.87 2.06 2wn5A1 LYS 43 HB3 -0.01 -0.05 -0.01 -0.04 1.79 1.68 2wn5A1 LYS 43 HG2 -0.01 0.05 0.05 -0.04 1.46 1.51 2wn5A1 LYS 43 HG3 -0.02 0.14 -0.09 -0.04 1.46 1.45 2wn5A1 LYS 43 HD2 -0.00 -0.11 -0.03 -0.04 1.69 1.51 2wn5A1 LYS 43 HD3 -0.00 -0.07 -0.02 -0.04 1.68 1.55 2wn5A1 LYS 43 HE2 0.00 0.16 -0.06 -0.04 2.99 3.06 2wn5A1 LYS 43 HE3 -0.00 0.22 -0.03 -0.04 2.99 3.13 2wn5A1 GLU 44 H -0.02 0.49 -0.22 -0.55 8.60 8.30 2wn5A1 GLU 44 HA -0.02 0.03 0.42 -0.75 4.29 3.97 2wn5A1 GLU 44 HB2 -0.01 0.05 0.09 -0.04 2.09 2.18 2wn5A1 GLU 44 HB3 -0.02 0.11 0.13 -0.04 1.99 2.18 2wn5A1 GLU 44 HG2 -0.01 -0.01 -0.17 -0.04 2.34 2.10 2wn5A1 GLU 44 HG3 -0.01 -0.02 0.02 -0.04 2.34 2.29 2wn5A1 ALA 45 H -0.04 0.42 -0.21 -0.55 8.40 8.03 2wn5A1 ALA 45 HA -0.02 -0.02 0.48 -0.75 4.34 4.03 2wn5A1 ALA 45 HB3 -0.06 0.05 0.10 -0.04 1.41 1.46 2wn5A1 LEU 46 H -0.08 0.55 -0.24 -0.55 8.37 8.05 2wn5A1 LEU 46 HA -0.18 -0.02 0.41 -0.75 4.35 3.81 2wn5A1 LEU 46 HB2 -0.11 0.17 0.18 -0.04 1.64 1.83 2wn5A1 LEU 46 HB3 -0.08 0.07 0.04 -0.04 1.64 1.63 2wn5A1 LEU 46 HG -0.23 0.01 -0.02 -0.04 1.64 1.36 2wn5A1 LEU 46 HD13 -0.05 0.02 -0.02 -0.04 0.93 0.83 2wn5A1 LEU 46 HD23 -0.56 -0.02 -0.02 -0.04 0.89 0.26 2wn5A1 GLU 47 H -0.03 0.60 -0.14 -0.55 8.60 8.49 2wn5A1 GLU 47 HA 0.00 0.04 0.44 -0.75 4.29 4.02 2wn5A1 GLU 47 HB2 -0.01 0.11 0.17 -0.04 2.09 2.32 2wn5A1 GLU 47 HB3 -0.00 -0.06 0.01 -0.04 1.99 1.90 2wn5A1 GLU 47 HG2 -0.01 0.21 0.04 -0.04 2.34 2.54 2wn5A1 GLU 47 HG3 -0.00 -0.07 -0.02 -0.04 2.34 2.21 2wn5A1 SER 48 H -0.01 0.44 -0.23 -0.55 8.46 8.12 2wn5A1 SER 48 HA -0.01 0.03 0.43 -0.75 4.49 4.19 2wn5A1 SER 48 HB2 0.00 0.13 0.14 -0.04 3.95 4.18 2wn5A1 SER 48 HB3 0.00 -0.08 -0.01 -0.04 3.93 3.80 2wn5A1 TYR 49 H 0.05 0.53 -0.19 -0.55 8.29 8.13 2wn5A1 TYR 49 HA -0.07 -0.06 0.31 -0.75 4.56 3.99 2wn5A1 TYR 49 HB2 -0.21 0.03 0.06 -0.04 3.06 2.89 2wn5A1 TYR 49 HB3 -0.25 0.18 0.14 -0.04 2.98 3.01 2wn5A1 TYR 49 HD2 -0.26 0.03 -0.15 -0.04 7.15 6.74 2wn5A1 TYR 49 HE2 0.04 0.01 -0.09 -0.04 6.85 6.76 2wn5A1 LYS 50 H 0.04 0.57 -0.16 -0.55 8.42 8.32 2wn5A1 LYS 50 HA 0.02 -0.03 0.37 -0.75 4.32 3.93 2wn5A1 LYS 50 HB2 0.03 0.24 0.13 -0.04 1.87 2.23 2wn5A1 LYS 50 HB3 0.06 -0.08 0.06 -0.04 1.79 1.79 2wn5A1 LYS 50 HG2 0.26 -0.08 0.03 -0.04 1.46 1.63 2wn5A1 LYS 50 HG3 0.03 0.17 0.08 -0.04 1.46 1.70 2wn5A1 LYS 50 HD2 0.06 -0.04 0.05 -0.04 1.69 1.72 2wn5A1 LYS 50 HD3 0.13 -0.01 0.10 -0.04 1.68 1.86 2wn5A1 LYS 50 HE2 0.23 -0.01 -0.01 -0.04 2.99 3.15 2wn5A1 LYS 50 HE3 0.03 -0.05 -0.16 -0.04 2.99 2.76 2wn5A1 LYS 51 H -0.04 0.32 -0.66 -0.55 8.42 7.48 2wn5A1 LYS 51 HA -0.03 0.10 0.62 -0.75 4.32 4.26 2wn5A1 LYS 51 HB2 -0.03 0.12 0.08 -0.04 1.87 2.00 2wn5A1 LYS 51 HB3 -0.02 -0.09 0.08 -0.04 1.79 1.72 2wn5A1 LYS 51 HG2 -0.01 -0.05 -0.02 -0.04 1.46 1.34 2wn5A1 LYS 51 HG3 -0.01 0.21 0.01 -0.04 1.46 1.63 2wn5A1 LYS 51 HD2 -0.01 -0.02 -0.01 -0.04 1.69 1.61 2wn5A1 LYS 51 HD3 -0.01 -0.06 -0.01 -0.04 1.68 1.56 2wn5A1 LYS 51 HE2 -0.00 -0.03 -0.03 -0.04 2.99 2.89 2wn5A1 LYS 51 HE3 -0.00 0.09 -0.11 -0.04 2.99 2.93 2wn5A1 ASP 52 H -0.13 0.43 -0.06 -0.55 8.40 8.09 2wn5A1 ASP 52 HA -0.06 0.10 0.81 -0.75 4.63 4.72 2wn5A1 ASP 52 HB2 -0.03 0.07 -0.23 -0.04 2.71 2.47 2wn5A1 ASP 52 HB3 -0.03 0.02 0.08 -0.04 2.70 2.73 2wn5A1 SER 53 H -0.25 0.30 0.00 -0.55 8.46 7.97 2wn5A1 SER 53 HA -0.61 0.02 0.33 -0.75 4.49 3.48 2wn5A1 SER 53 HB2 -0.73 -0.03 0.02 -0.04 3.95 3.17 2wn5A1 SER 53 HB3 -0.77 0.24 0.08 -0.04 3.93 3.44 2wn5A1 VAL 54 H -0.07 0.12 -0.17 -0.55 8.24 7.57 2wn5A1 VAL 54 HA 0.02 0.11 0.37 -0.75 4.13 3.89 2wn5A1 VAL 54 HB -0.00 -0.04 0.09 -0.04 2.12 2.13 2wn5A1 VAL 54 HG13 0.03 0.02 -0.09 -0.04 0.97 0.88 2wn5A1 VAL 54 HG23 -0.00 0.02 0.04 -0.04 0.95 0.96 2wn5A1 GLU 55 H 0.01 0.16 -0.09 -0.55 8.60 8.12 2wn5A1 GLU 55 HA 0.06 0.08 0.42 -0.75 4.29 4.10 2wn5A1 GLU 55 HB2 0.02 0.08 0.12 -0.04 2.09 2.26 2wn5A1 GLU 55 HB3 0.03 -0.00 -0.00 -0.04 1.99 1.98 2wn5A1 GLU 55 HG2 0.01 -0.02 0.04 -0.04 2.34 2.33 2wn5A1 GLU 55 HG3 0.01 0.03 0.03 -0.04 2.34 2.37 2wn5A1 ILE 56 H 0.06 0.51 -0.07 -0.55 8.25 8.20 2wn5A1 ILE 56 HA 0.20 -0.01 0.48 -0.75 4.18 4.10 2wn5A1 ILE 56 HB 0.15 0.09 0.06 -0.04 1.89 2.15 2wn5A1 ILE 56 HG12 0.10 -0.06 -0.02 -0.04 1.49 1.47 2wn5A1 ILE 56 HG13 0.05 -0.02 0.02 -0.04 1.21 1.22 2wn5A1 ILE 56 HG23 0.40 -0.01 -0.14 -0.04 0.93 1.14 2wn5A1 ILE 56 HD13 0.04 -0.00 -0.21 -0.04 0.88 0.67 2wn5A1 SER 57 H 0.20 0.63 -0.12 -0.55 8.46 8.63 2wn5A1 SER 57 HA 0.39 -0.08 0.50 -0.75 4.49 4.54 2wn5A1 SER 57 HB2 0.15 0.08 0.18 -0.04 3.95 4.32 2wn5A1 SER 57 HB3 0.19 0.13 0.09 -0.04 3.93 4.30 2wn5A1 LYS 58 H 0.12 0.47 -0.10 -0.55 8.42 8.36 2wn5A1 LYS 58 HA 0.05 0.05 0.44 -0.75 4.32 4.11 2wn5A1 LYS 58 HB2 0.08 0.19 0.23 -0.04 1.87 2.33 2wn5A1 LYS 58 HB3 0.10 0.00 0.09 -0.04 1.79 1.94 2wn5A1 LYS 58 HG2 0.06 -0.03 0.03 -0.04 1.46 1.48 2wn5A1 LYS 58 HG3 0.05 0.02 0.08 -0.04 1.46 1.56 2wn5A1 LYS 58 HD2 0.06 -0.04 0.00 -0.04 1.69 1.68 2wn5A1 LYS 58 HD3 0.05 -0.01 0.01 -0.04 1.68 1.69 2wn5A1 LYS 58 HE2 0.05 0.11 -0.07 -0.04 2.99 3.04 2wn5A1 LYS 58 HE3 0.04 -0.06 -0.04 -0.04 2.99 2.89 2wn5A1 TYR 59 H 0.22 0.59 -0.11 -0.55 8.29 8.44 2wn5A1 TYR 59 HA 0.02 -0.01 0.41 -0.75 4.56 4.23 2wn5A1 TYR 59 HB2 0.03 -0.00 0.12 -0.04 3.06 3.16 2wn5A1 TYR 59 HB3 0.07 0.16 0.16 -0.04 2.98 3.33 2wn5A1 TYR 59 HD2 0.00 0.06 -0.07 -0.04 7.15 7.10 2wn5A1 TYR 59 HE2 -0.10 0.02 -0.09 -0.04 6.85 6.65 2wn5A1 SER 60 H 0.10 0.51 -0.17 -0.55 8.46 8.35 2wn5A1 SER 60 HA -0.50 -0.04 0.39 -0.75 4.49 3.59 2wn5A1 SER 60 HB2 -0.59 -0.04 0.16 -0.04 3.95 3.43 2wn5A1 SER 60 HB3 -0.18 0.06 0.17 -0.04 3.93 3.94 2wn5A1 GLN 61 H -0.11 0.41 -0.41 -0.55 8.47 7.81 2wn5A1 GLN 61 HA -0.15 0.05 0.42 -0.75 4.36 3.92 2wn5A1 GLN 61 HB2 -0.05 0.10 0.11 -0.04 2.15 2.27 2wn5A1 GLN 61 HB3 -0.06 -0.03 -0.02 -0.04 2.02 1.86 2wn5A1 GLN 61 HG2 -0.07 0.21 -0.10 -0.04 2.40 2.39 2wn5A1 GLN 61 HG3 -0.05 0.17 0.07 -0.04 2.39 2.54 2wn5A1 GLN 61 HE21 0.01 -0.10 0.00 -0.04 6.97 6.84 2wn5A1 GLN 61 HE22 -0.02 0.17 0.04 -0.04 7.69 7.83 2wn5A1 THR 62 H -0.16 0.32 -0.06 -0.55 8.28 7.83 2wn5A1 THR 62 HA 0.02 0.24 0.90 -0.75 4.39 4.79 2wn5A1 THR 62 HB -0.35 -0.04 0.07 -0.04 4.32 3.95 2wn5A1 THR 62 HG23 -0.14 0.01 -0.18 -0.04 1.22 0.87 2wn5A1 ARG 63 H -0.43 0.36 -0.09 -0.55 8.46 7.75 2wn5A1 ARG 63 HA -0.24 0.02 0.33 -0.75 4.34 3.70 2wn5A1 ARG 63 HB2 -0.66 -0.08 -0.00 -0.04 1.90 1.12 2wn5A1 ARG 63 HB3 -1.71 0.11 0.05 -0.04 1.80 0.21 2wn5A1 ARG 63 HG2 -0.71 0.18 0.02 -0.04 1.67 1.11 2wn5A1 ARG 63 HG3 -0.55 -0.08 -0.08 -0.04 1.67 0.93 2wn5A1 ARG 63 HD2 -1.35 -0.03 -0.07 -0.04 3.22 1.72 2wn5A1 ARG 63 HD3 -1.60 0.05 -0.02 -0.04 3.22 1.61 2wn5A1 ASN 64 H -0.42 0.19 -0.41 -0.55 8.53 7.35 2wn5A1 ASN 64 HA -0.28 0.07 0.29 -0.75 4.76 4.08 2wn5A1 ASN 64 HB2 -0.48 -0.13 0.02 -0.04 2.88 2.25 2wn5A1 ASN 64 HB3 -0.37 -0.02 0.01 -0.04 2.79 2.38 2wn5A1 ASN 64 HD21 -0.82 0.12 -0.15 -0.04 7.03 6.15 2wn5A1 ASN 64 HD22 -0.86 -0.14 -0.19 -0.04 7.74 6.51 2wn5A1 TYR 65 H -0.34 0.37 -0.52 -0.55 8.29 7.25 2wn5A1 TYR 65 HA -0.38 0.35 0.44 -0.75 4.56 4.22 2wn5A1 TYR 65 HB2 -1.00 0.09 -0.04 -0.04 3.06 2.07 2wn5A1 TYR 65 HB3 -0.56 0.00 0.00 -0.04 2.98 2.38 2wn5A1 TYR 65 HD2 -0.44 0.08 -0.06 -0.04 7.15 6.69 2wn5A1 TYR 65 HE2 -0.14 0.11 -0.08 -0.04 6.85 6.70 2wn5A1 PHE 66 H -0.04 0.20 -0.30 -0.55 8.34 7.65 2wn5A1 PHE 66 HA -0.09 0.18 0.67 -0.75 4.62 4.63 2wn5A1 PHE 66 HB2 -0.06 0.10 0.04 -0.04 3.15 3.19 2wn5A1 PHE 66 HB3 -0.01 -0.17 0.14 -0.04 3.06 2.97 2wn5A1 PHE 66 HD2 -0.01 0.06 0.02 -0.04 7.28 7.31 2wn5A1 PHE 66 HE2 0.05 -0.04 -0.02 -0.04 7.38 7.34 2wn5A1 PHE 66 HZ 0.20 0.18 0.04 -0.04 7.32 7.69 2wn5A1 TYR 67 H 0.10 0.10 0.15 -0.55 8.29 8.09 2wn5A1 TYR 67 HA -0.12 0.30 0.66 -0.75 4.56 4.64 2wn5A1 TYR 67 HB2 -0.81 -0.08 0.11 -0.04 3.06 2.24 2wn5A1 TYR 67 HB3 -1.00 -0.11 0.07 -0.04 2.98 1.90 2wn5A1 TYR 67 HD2 -0.03 0.00 0.02 -0.04 7.15 7.10 2wn5A1 TYR 67 HE2 0.08 -0.06 -0.17 -0.04 6.85 6.66 2wn5A1 ASP 68 H 0.04 0.24 0.19 -0.55 8.40 8.32 2wn5A1 ASP 68 HA -0.00 0.14 0.46 -0.75 4.63 4.47 2wn5A1 ASP 68 HB2 0.05 0.03 0.09 -0.04 2.71 2.83 2wn5A1 ASP 68 HB3 0.03 0.09 0.18 -0.04 2.70 2.96 2wn5A1 TYR 69 H -0.08 0.10 -0.12 -0.55 8.29 7.64 2wn5A1 TYR 69 HA 0.04 0.11 0.43 -0.75 4.56 4.40 2wn5A1 TYR 69 HB2 0.01 0.06 0.04 -0.04 3.06 3.13 2wn5A1 TYR 69 HB3 0.02 0.03 0.07 -0.04 2.98 3.05 2wn5A1 TYR 69 HD2 0.00 0.03 -0.15 -0.04 7.15 6.99 2wn5A1 TYR 69 HE2 -0.22 0.03 -0.02 -0.04 6.85 6.60 2wn5A1 GLN 70 H -0.35 0.08 -0.40 -0.55 8.47 7.26 2wn5A1 GLN 70 HA 0.07 0.09 0.55 -0.75 4.36 4.32 2wn5A1 GLN 70 HB2 0.02 0.11 0.13 -0.04 2.15 2.36 2wn5A1 GLN 70 HB3 -0.05 0.04 0.01 -0.04 2.02 1.98 2wn5A1 GLN 70 HG2 0.12 0.05 0.01 -0.04 2.40 2.54 2wn5A1 GLN 70 HG3 -0.29 -0.10 0.01 -0.04 2.39 1.98 2wn5A1 GLN 70 HE21 0.32 0.07 -0.01 -0.04 6.97 7.31 2wn5A1 GLN 70 HE22 0.22 0.01 -0.01 -0.04 7.69 7.87 2wn5A1 ILE 71 H 0.01 0.51 -0.11 -0.55 8.25 8.10 2wn5A1 ILE 71 HA 0.06 0.04 0.44 -0.75 4.18 3.96 2wn5A1 ILE 71 HB 0.02 0.08 0.17 -0.04 1.89 2.12 2wn5A1 ILE 71 HG12 0.01 0.17 0.02 -0.04 1.49 1.65 2wn5A1 ILE 71 HG13 0.06 -0.03 -0.05 -0.04 1.21 1.14 2wn5A1 ILE 71 HG23 0.02 -0.02 -0.14 -0.04 0.93 0.75 2wn5A1 ILE 71 HD13 -0.07 -0.04 -0.12 -0.04 0.88 0.62 2wn5A1 GLU 72 H 0.05 0.50 -0.05 -0.55 8.60 8.55 2wn5A1 GLU 72 HA 0.05 0.01 0.37 -0.75 4.29 3.97 2wn5A1 GLU 72 HB2 0.06 -0.02 0.09 -0.04 2.09 2.18 2wn5A1 GLU 72 HB3 0.08 0.02 0.11 -0.04 1.99 2.16 2wn5A1 GLU 72 HG2 0.06 -0.04 -0.02 -0.04 2.34 2.29 2wn5A1 GLU 72 HG3 0.05 0.04 -0.20 -0.04 2.34 2.19 2wn5A1 ALA 73 H 0.06 0.26 -0.47 -0.55 8.40 7.69 2wn5A1 ALA 73 HA 0.03 0.03 0.34 -0.75 4.34 3.98 2wn5A1 ALA 73 HB3 0.05 -0.01 0.10 -0.04 1.41 1.52 2wn5A1 ASN 74 H 0.01 0.38 -0.26 -0.55 8.53 8.11 2wn5A1 ASN 74 HA -0.06 -0.03 0.35 -0.75 4.76 4.27 2wn5A1 ASN 74 HB2 -0.00 0.21 0.18 -0.04 2.88 3.23 2wn5A1 ASN 74 HB3 -0.02 -0.03 0.14 -0.04 2.79 2.84 2wn5A1 ASN 74 HD21 -0.07 0.00 0.02 -0.04 7.03 6.94 2wn5A1 ASN 74 HD22 -0.10 0.07 0.03 -0.04 7.74 7.71 2wn5A1 SER 75 H -0.09 0.14 0.22 -0.55 8.46 8.18 2wn5A1 SER 75 HA -0.05 0.16 0.42 -0.75 4.49 4.26 2wn5A1 SER 75 HB2 -0.05 0.01 0.13 -0.04 3.95 4.00 2wn5A1 SER 75 HB3 -0.05 0.05 0.17 -0.04 3.93 4.06 2wn5A1 ARG 76 H -0.31 0.06 -0.33 -0.55 8.46 7.33 2wn5A1 ARG 76 HA -0.13 0.16 0.69 -0.75 4.34 4.32 2wn5A1 ARG 76 HB2 -1.11 0.03 0.00 -0.04 1.90 0.78 2wn5A1 ARG 76 HB3 -0.38 0.01 0.07 -0.04 1.80 1.46 2wn5A1 ARG 76 HG2 -0.13 0.04 -0.08 -0.04 1.67 1.46 2wn5A1 ARG 76 HG3 -0.24 -0.05 -0.06 -0.04 1.67 1.29 2wn5A1 ARG 76 HD2 -0.19 0.04 -0.04 -0.04 3.22 2.98 2wn5A1 ARG 76 HD3 -0.04 -0.01 -0.09 -0.04 3.22 3.04 2wn5A1 GLU 77 H -0.12 0.52 -0.25 -0.55 8.60 8.20 2wn5A1 GLU 77 HA 0.26 0.03 0.27 -0.75 4.29 4.09 2wn5A1 GLU 77 HB2 0.12 0.07 0.14 -0.04 2.09 2.38 2wn5A1 GLU 77 HB3 0.05 0.16 0.12 -0.04 1.99 2.28 2wn5A1 GLU 77 HG2 0.10 0.07 -0.19 -0.04 2.34 2.28 2wn5A1 GLU 77 HG3 0.13 -0.08 -0.26 -0.04 2.34 2.09 2wn5A1 LYS 78 H 0.03 0.26 -0.08 -0.55 8.42 8.07 2wn5A1 LYS 78 HA 0.07 0.06 0.43 -0.75 4.32 4.12 2wn5A1 LYS 78 HB2 0.02 0.06 0.08 -0.04 1.87 1.99 2wn5A1 LYS 78 HB3 0.02 -0.00 -0.03 -0.04 1.79 1.74 2wn5A1 LYS 78 HG2 0.03 -0.02 0.04 -0.04 1.46 1.47 2wn5A1 LYS 78 HG3 0.03 0.07 0.04 -0.04 1.46 1.56 2wn5A1 LYS 78 HD2 0.01 0.03 0.01 -0.04 1.69 1.70 2wn5A1 LYS 78 HD3 0.01 -0.03 -0.00 -0.04 1.68 1.62 2wn5A1 LYS 78 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.95 2wn5A1 LYS 78 HE3 0.02 -0.02 0.00 -0.04 2.99 2.95 2wn5A1 GLU 79 H 0.04 0.17 -0.30 -0.55 8.60 7.97 2wn5A1 GLU 79 HA 0.02 0.03 0.45 -0.75 4.29 4.04 2wn5A1 GLU 79 HB2 0.05 0.11 0.07 -0.04 2.09 2.27 2wn5A1 GLU 79 HB3 0.03 0.01 0.04 -0.04 1.99 2.03 2wn5A1 GLU 79 HG2 0.01 -0.06 0.01 -0.04 2.34 2.26 2wn5A1 GLU 79 HG3 0.00 0.05 0.03 -0.04 2.34 2.38 2wn5A1 TYR 80 H 0.24 0.52 -0.13 -0.55 8.29 8.37 2wn5A1 TYR 80 HA 0.32 0.01 0.46 -0.75 4.56 4.60 2wn5A1 TYR 80 HB2 0.37 -0.01 0.06 -0.04 3.06 3.44 2wn5A1 TYR 80 HB3 0.23 0.15 0.18 -0.04 2.98 3.50 2wn5A1 TYR 80 HD2 0.08 0.01 -0.05 -0.04 7.15 7.15 2wn5A1 TYR 80 HE2 -0.28 -0.00 -0.03 -0.04 6.85 6.50 2wn5A1 LYS 81 H 0.17 0.53 -0.14 -0.55 8.42 8.42 2wn5A1 LYS 81 HA -0.21 0.03 0.35 -0.75 4.32 3.73 2wn5A1 LYS 81 HB2 0.06 0.12 0.16 -0.04 1.87 2.16 2wn5A1 LYS 81 HB3 0.01 -0.04 0.00 -0.04 1.79 1.73 2wn5A1 LYS 81 HG2 0.15 -0.03 0.00 -0.04 1.46 1.55 2wn5A1 LYS 81 HG3 0.23 0.13 0.02 -0.04 1.46 1.80 2wn5A1 LYS 81 HD2 0.08 -0.01 -0.04 -0.04 1.69 1.68 2wn5A1 LYS 81 HD3 0.05 -0.02 -0.02 -0.04 1.68 1.66 2wn5A1 LYS 81 HE2 0.06 -0.02 -0.04 -0.04 2.99 2.95 2wn5A1 LYS 81 HE3 0.11 -0.01 -0.04 -0.04 2.99 3.01 2wn5A1 GLU 82 H -0.01 0.48 -0.12 -0.55 8.60 8.41 2wn5A1 GLU 82 HA -0.05 0.01 0.42 -0.75 4.29 3.92 2wn5A1 GLU 82 HB2 -0.03 0.07 0.14 -0.04 2.09 2.23 2wn5A1 GLU 82 HB3 -0.04 -0.07 -0.09 -0.04 1.99 1.75 2wn5A1 GLU 82 HG2 -0.00 0.17 0.05 -0.04 2.34 2.52 2wn5A1 GLU 82 HG3 -0.01 -0.00 -0.06 -0.04 2.34 2.22 2wn5A1 LEU 83 H -0.08 0.63 -0.13 -0.55 8.37 8.23 2wn5A1 LEU 83 HA -0.20 0.02 0.47 -0.75 4.35 3.89 2wn5A1 LEU 83 HB2 -0.20 0.06 0.07 -0.04 1.64 1.52 2wn5A1 LEU 83 HB3 -0.25 0.06 0.07 -0.04 1.64 1.48 2wn5A1 LEU 83 HG -0.90 -0.00 -0.13 -0.04 1.64 0.56 2wn5A1 LEU 83 HD13 -0.43 -0.01 -0.09 -0.04 0.93 0.36 2wn5A1 LEU 83 HD23 -0.98 -0.00 -0.09 -0.04 0.89 -0.22 2wn5A1 ARG 84 H -0.18 0.67 -0.07 -0.55 8.46 8.33 2wn5A1 ARG 84 HA 0.02 0.01 0.44 -0.75 4.34 4.06 2wn5A1 ARG 84 HB2 -0.58 -0.00 0.08 -0.04 1.90 1.35 2wn5A1 ARG 84 HB3 -0.31 0.11 0.16 -0.04 1.80 1.72 2wn5A1 ARG 84 HG2 -0.09 0.01 -0.26 -0.04 1.67 1.29 2wn5A1 ARG 84 HG3 -0.08 -0.01 -0.01 -0.04 1.67 1.53 2wn5A1 ARG 84 HD2 -0.03 0.01 -0.04 -0.04 3.22 3.12 2wn5A1 ARG 84 HD3 -0.10 -0.01 -0.03 -0.04 3.22 3.04 2wn5A1 ASN 85 H -0.10 0.47 -0.20 -0.55 8.53 8.16 2wn5A1 ASN 85 HA -0.04 0.03 0.40 -0.75 4.76 4.40 2wn5A1 ASN 85 HB2 -0.05 0.08 0.15 -0.04 2.88 3.01 2wn5A1 ASN 85 HB3 -0.03 -0.05 -0.02 -0.04 2.79 2.64 2wn5A1 ASN 85 HD21 -0.02 -0.06 -0.05 -0.04 7.03 6.86 2wn5A1 ASN 85 HD22 -0.02 -0.08 -0.04 -0.04 7.74 7.56 2wn5A1 ALA 86 H -0.08 0.56 -0.12 -0.55 8.40 8.21 2wn5A1 ALA 86 HA -0.05 -0.04 0.42 -0.75 4.34 3.91 2wn5A1 ALA 86 HB3 -0.12 0.02 0.09 -0.04 1.41 1.36 2wn5A1 ILE 87 H -0.08 0.51 -0.22 -0.55 8.25 7.91 2wn5A1 ILE 87 HA -0.05 0.04 0.27 -0.75 4.18 3.69 2wn5A1 ILE 87 HB -0.01 0.13 0.03 -0.04 1.89 2.00 2wn5A1 ILE 87 HG12 -0.10 0.00 -0.16 -0.04 1.49 1.19 2wn5A1 ILE 87 HG13 -0.16 0.08 -0.03 -0.04 1.21 1.06 2wn5A1 ILE 87 HG23 0.01 -0.06 -0.27 -0.04 0.93 0.57 2wn5A1 ILE 87 HD13 -0.01 -0.05 -0.32 -0.04 0.88 0.45 2wn5A1 SER 88 H -0.03 0.34 -0.34 -0.55 8.46 7.89 2wn5A1 SER 88 HA -0.01 0.02 0.40 -0.75 4.49 4.14 2wn5A1 SER 88 HB2 -0.02 0.12 0.08 -0.04 3.95 4.09 2wn5A1 SER 88 HB3 -0.01 -0.06 0.10 -0.04 3.93 3.92 2wn5A1 LYS 89 H -0.02 0.44 -0.62 -0.55 8.42 7.66 2wn5A1 LYS 89 HA -0.01 0.02 0.53 -0.75 4.32 4.11 2wn5A1 LYS 89 HB2 -0.02 0.22 0.07 -0.04 1.87 2.11 2wn5A1 LYS 89 HB3 -0.01 -0.05 0.05 -0.04 1.79 1.75 2wn5A1 LYS 89 HG2 -0.02 0.19 0.04 -0.04 1.46 1.63 2wn5A1 LYS 89 HG3 -0.02 -0.14 0.01 -0.04 1.46 1.26 2wn5A1 LYS 89 HD2 -0.01 0.04 0.04 -0.04 1.69 1.72 2wn5A1 LYS 89 HD3 -0.01 0.03 -0.01 -0.04 1.68 1.65 2wn5A1 LYS 89 HE2 -0.01 -0.04 -0.03 -0.04 2.99 2.88 2wn5A1 LYS 89 HE3 -0.02 0.07 -0.10 -0.04 2.99 2.90 2wn5A1 ASN 90 H -0.00 0.35 -0.41 -0.55 8.53 7.92 2wn5A1 ASN 90 HA 0.01 0.10 0.87 -0.75 4.76 4.98 2wn5A1 ASN 90 HB2 0.01 -0.05 -0.11 -0.04 2.88 2.69 2wn5A1 ASN 90 HB3 0.01 0.23 0.24 -0.04 2.79 3.23 2wn5A1 ASN 90 HD21 0.03 -0.16 0.02 -0.04 7.03 6.88 2wn5A1 ASN 90 HD22 0.02 0.63 0.26 -0.04 7.74 8.61 2wn5A1 LYS 91 H 0.01 0.16 -0.03 -0.55 8.42 8.01 2wn5A1 LYS 91 HA 0.00 0.26 0.60 -0.75 4.32 4.43 2wn5A1 LYS 91 HB2 0.00 -0.07 0.01 -0.04 1.87 1.77 2wn5A1 LYS 91 HB3 -0.00 -0.01 -0.18 -0.04 1.79 1.56 2wn5A1 LYS 91 HG2 0.00 -0.01 -0.27 -0.04 1.46 1.13 2wn5A1 LYS 91 HG3 0.00 0.08 -0.17 -0.04 1.46 1.33 2wn5A1 LYS 91 HD2 -0.00 -0.09 -0.02 -0.04 1.69 1.55 2wn5A1 LYS 91 HD3 -0.00 0.16 0.02 -0.04 1.68 1.82 2wn5A1 LYS 91 HE2 -0.00 -0.06 0.03 -0.04 2.99 2.92 2wn5A1 LYS 91 HE3 -0.00 0.14 0.06 -0.04 2.99 3.15 2wn5A1 ILE 92 H -0.00 0.66 0.17 -0.55 8.25 8.53 2wn5A1 ILE 92 HA 0.01 0.02 0.49 -0.75 4.18 3.95 2wn5A1 ILE 92 HB -0.01 0.02 0.06 -0.04 1.89 1.92 2wn5A1 ILE 92 HG12 -0.01 0.29 0.14 -0.04 1.49 1.87 2wn5A1 ILE 92 HG13 -0.02 -0.30 0.02 -0.04 1.21 0.87 2wn5A1 ILE 92 HG23 0.01 0.02 -0.01 -0.04 0.93 0.91 2wn5A1 ILE 92 HD13 -0.05 0.09 -0.11 -0.04 0.88 0.78 2wn5A1 ASP 93 H 0.01 0.11 0.20 -0.55 8.40 8.17 2wn5A1 ASP 93 HA -0.00 0.13 0.49 -0.75 4.63 4.49 2wn5A1 ASP 93 HB2 0.01 0.04 0.13 -0.04 2.71 2.85 2wn5A1 ASP 93 HB3 0.01 -0.02 0.04 -0.04 2.70 2.69 2wn5A1 LYS 94 H -0.00 0.14 0.01 -0.55 8.42 8.01 2wn5A1 LYS 94 HA -0.02 0.15 0.67 -0.75 4.32 4.37 2wn5A1 LYS 94 HB2 -0.01 0.06 0.12 -0.04 1.87 2.01 2wn5A1 LYS 94 HB3 -0.00 0.01 -0.02 -0.04 1.79 1.73 2wn5A1 LYS 94 HG2 0.01 -0.11 -0.05 -0.04 1.46 1.27 2wn5A1 LYS 94 HG3 0.01 0.08 -0.12 -0.04 1.46 1.38 2wn5A1 LYS 94 HD2 0.02 0.09 -0.02 -0.04 1.69 1.75 2wn5A1 LYS 94 HD3 0.02 -0.04 -0.02 -0.04 1.68 1.60 2wn5A1 LYS 94 HE2 0.04 -0.02 -0.01 -0.04 2.99 2.95 2wn5A1 LYS 94 HE3 0.03 -0.05 -0.02 -0.04 2.99 2.91 2wn5A1 PRO 95 HA -0.11 0.28 0.38 -0.51 4.44 4.47 2wn5A1 PRO 95 HB2 -0.14 -0.03 -0.03 -0.04 2.28 2.04 2wn5A1 PRO 95 HB3 -0.19 0.08 -0.00 -0.04 2.02 1.87 2wn5A1 PRO 95 HG2 -0.06 0.03 0.07 -0.04 2.03 2.03 2wn5A1 PRO 95 HG3 -0.08 -0.07 0.10 -0.04 2.03 1.94 2wn5A1 PRO 95 HD2 -0.03 0.09 0.19 -0.04 3.68 3.89 2wn5A1 PRO 95 HD3 -0.03 0.11 0.20 -0.04 3.65 3.89 2wn5A1 MET 96 H -0.18 0.59 0.26 -0.55 8.47 8.60 2wn5A1 MET 96 HA -0.04 0.09 0.88 -0.75 4.52 4.70 2wn5A1 MET 96 HB2 -0.03 0.05 -0.17 -0.04 2.15 1.97 2wn5A1 MET 96 HB3 -0.05 -0.01 0.01 -0.04 2.03 1.94 2wn5A1 MET 96 HG2 -0.00 0.04 -0.22 -0.04 2.63 2.40 2wn5A1 MET 96 HG3 0.02 -0.03 0.06 -0.04 2.56 2.57 2wn5A1 MET 96 HE3 0.02 -0.00 -0.04 -0.04 2.10 2.04 2wn5A1 TYR 97 H 0.17 0.13 0.14 -0.55 8.29 8.18 2wn5A1 TYR 97 HA -0.16 0.32 0.88 -0.75 4.56 4.84 2wn5A1 TYR 97 HB2 0.02 -0.03 0.09 -0.04 3.06 3.10 2wn5A1 TYR 97 HB3 -0.18 0.03 -0.11 -0.04 2.98 2.69 2wn5A1 TYR 97 HD2 -0.35 0.03 -0.14 -0.04 7.15 6.64 2wn5A1 TYR 97 HE2 -0.12 0.01 -0.08 -0.04 6.85 6.62 2wn5A1 VAL 98 H -0.05 0.64 0.34 -0.55 8.24 8.62 2wn5A1 VAL 98 HA 0.07 0.26 0.97 -0.75 4.13 4.67 2wn5A1 VAL 98 HB 0.14 -0.02 -0.03 -0.04 2.12 2.17 2wn5A1 VAL 98 HG13 0.03 0.00 -0.35 -0.04 0.97 0.61 2wn5A1 VAL 98 HG23 0.14 0.02 -0.13 -0.04 0.95 0.94 2wn5A1 TYR 99 H 0.25 0.75 0.34 -0.55 8.29 9.09 2wn5A1 TYR 99 HA -0.01 0.44 1.11 -0.75 4.56 5.34 2wn5A1 TYR 99 HB2 0.00 -0.02 -0.01 -0.04 3.06 2.99 2wn5A1 TYR 99 HB3 -0.13 -0.02 -0.04 -0.04 2.98 2.76 2wn5A1 TYR 99 HD2 -0.11 0.06 -0.39 -0.04 7.15 6.66 2wn5A1 TYR 99 HE2 -0.29 0.07 -0.19 -0.04 6.85 6.39 2wn5A1 TYR 100 H -0.22 0.57 0.32 -0.55 8.29 8.42 2wn5A1 TYR 100 HA 0.09 0.03 0.43 -0.75 4.56 4.36 2wn5A1 TYR 100 HB2 0.13 0.07 0.19 -0.04 3.06 3.41 2wn5A1 TYR 100 HB3 0.11 0.11 0.14 -0.04 2.98 3.30 2wn5A1 TYR 100 HD2 0.10 0.10 -0.38 -0.04 7.15 6.92 2wn5A1 TYR 100 HE2 0.11 -0.01 -0.19 -0.04 6.85 6.72 2wn5A1 PHE 101 H 0.43 0.14 0.20 -0.55 8.34 8.56 2wn5A1 PHE 101 HA 0.05 0.26 0.98 -0.75 4.62 5.15 2wn5A1 PHE 101 HB2 0.10 -0.02 0.12 -0.04 3.15 3.31 2wn5A1 PHE 101 HB3 0.09 -0.03 -0.00 -0.04 3.06 3.07 2wn5A1 PHE 101 HD2 0.06 0.02 -0.09 -0.04 7.28 7.22 2wn5A1 PHE 101 HE2 -0.21 0.02 -0.13 -0.04 7.38 7.02 2wn5A1 PHE 101 HZ -0.38 0.01 -0.14 -0.04 7.32 6.77 2wn5A1 GLU 102 H 0.23 0.62 0.31 -0.55 8.60 9.21 2wn5A1 GLU 102 HA 0.23 0.08 0.76 -0.75 4.29 4.60 2wn5A1 GLU 102 HB2 0.30 0.04 -0.33 -0.04 2.09 2.06 2wn5A1 GLU 102 HB3 0.26 -0.00 -0.11 -0.04 1.99 2.10 2wn5A1 GLU 102 HG2 0.29 0.02 -0.13 -0.04 2.34 2.47 2wn5A1 GLU 102 HG3 0.15 0.13 -0.12 -0.04 2.34 2.45 2wn5A1 SER 103 H 0.12 0.14 0.13 -0.55 8.46 8.31 2wn5A1 SER 103 HA 0.12 0.14 0.70 -0.75 4.49 4.69 2wn5A1 SER 103 HB2 0.08 0.07 0.13 -0.04 3.95 4.19 2wn5A1 SER 103 HB3 0.07 0.01 0.17 -0.04 3.93 4.14 2wn5A1 PRO 104 HA 0.38 0.11 0.43 -0.51 4.44 4.85 2wn5A1 PRO 104 HB2 0.48 0.27 0.06 -0.04 2.28 3.05 2wn5A1 PRO 104 HB3 0.16 0.02 0.12 -0.04 2.02 2.28 2wn5A1 PRO 104 HG2 0.18 0.08 0.18 -0.04 2.03 2.43 2wn5A1 PRO 104 HG3 0.09 -0.08 0.17 -0.04 2.03 2.17 2wn5A1 PRO 104 HD2 0.11 0.04 0.36 -0.04 3.68 4.14 2wn5A1 PRO 104 HD3 0.08 0.18 0.25 -0.04 3.65 4.12 2wn5A1 GLU 105 H 0.14 0.03 -0.32 -0.55 8.60 7.90 2wn5A1 GLU 105 HA 0.12 0.10 0.21 -0.75 4.29 3.97 2wn5A1 GLU 105 HB2 0.07 -0.01 0.04 -0.04 2.09 2.15 2wn5A1 GLU 105 HB3 0.04 -0.02 -0.04 -0.04 1.99 1.94 2wn5A1 GLU 105 HG2 0.03 0.06 -0.07 -0.04 2.34 2.32 2wn5A1 GLU 105 HG3 0.04 0.00 -0.03 -0.04 2.34 2.31 2wn5A1 LYS 106 H -0.00 0.37 -0.32 -0.55 8.42 7.91 2wn5A1 LYS 106 HA -0.17 0.04 0.35 -0.75 4.32 3.79 2wn5A1 LYS 106 HB2 -0.14 -0.12 0.10 -0.04 1.87 1.67 2wn5A1 LYS 106 HB3 -0.51 0.09 -0.02 -0.04 1.79 1.30 2wn5A1 LYS 106 HG2 -0.31 -0.04 -0.04 -0.04 1.46 1.03 2wn5A1 LYS 106 HG3 -0.76 0.06 -0.07 -0.04 1.46 0.65 2wn5A1 LYS 106 HD2 -0.16 0.01 0.07 -0.04 1.69 1.57 2wn5A1 LYS 106 HD3 -0.10 -0.07 0.03 -0.04 1.68 1.50 2wn5A1 LYS 106 HE2 -0.08 -0.03 0.03 -0.04 2.99 2.87 2wn5A1 LYS 106 HE3 -0.15 0.08 0.02 -0.04 2.99 2.89 2wn5A1 PHE 107 H 0.03 0.34 -0.53 -0.55 8.34 7.63 2wn5A1 PHE 107 HA -0.61 0.22 0.78 -0.75 4.62 4.26 2wn5A1 PHE 107 HB2 -0.18 -0.01 0.03 -0.04 3.15 2.94 2wn5A1 PHE 107 HB3 -0.83 0.06 0.08 -0.04 3.06 2.34 2wn5A1 PHE 107 HD2 -0.93 0.04 -0.13 -0.04 7.28 6.22 2wn5A1 PHE 107 HE2 -0.01 -0.02 -0.19 -0.04 7.38 7.12 2wn5A1 PHE 107 HZ 0.04 -0.03 -0.18 -0.04 7.32 7.11 2wn5A1 ALA 108 H 0.06 0.43 -0.30 -0.55 8.40 8.04 2wn5A1 ALA 108 HA 0.11 -0.03 0.30 -0.75 4.34 3.96 2wn5A1 ALA 108 HB3 0.21 0.06 0.10 -0.04 1.41 1.74 2wn5A1 PHE 109 H 0.28 0.34 -0.37 -0.55 8.34 8.04 2wn5A1 PHE 109 HA 0.08 0.16 0.75 -0.75 4.62 4.86 2wn5A1 PHE 109 HB2 0.17 0.14 -0.06 -0.04 3.15 3.35 2wn5A1 PHE 109 HB3 0.25 -0.13 0.02 -0.04 3.06 3.16 2wn5A1 PHE 109 HD2 0.11 0.08 -0.09 -0.04 7.28 7.33 2wn5A1 PHE 109 HE2 0.07 0.02 -0.39 -0.04 7.38 7.05 2wn5A1 PHE 109 HZ 0.07 -0.05 -0.10 -0.04 7.32 7.20 2wn5A1 ASN 110 H -0.14 0.31 -0.14 -0.55 8.53 8.01 2wn5A1 ASN 110 HA 0.01 0.07 0.41 -0.75 4.76 4.49 2wn5A1 ASN 110 HB2 -0.05 0.05 0.09 -0.04 2.88 2.93 2wn5A1 ASN 110 HB3 -0.01 -0.06 0.13 -0.04 2.79 2.81 2wn5A1 ASN 110 HD21 0.05 0.03 -0.04 -0.04 7.03 7.04 2wn5A1 ASN 110 HD22 0.01 0.03 -0.05 -0.04 7.74 7.69 2wn5A1 LYS 111 H -0.11 0.54 -0.39 -0.55 8.42 7.91 2wn5A1 LYS 111 HA -0.04 0.04 0.40 -0.75 4.32 3.97 2wn5A1 LYS 111 HB2 -0.08 -0.07 0.07 -0.04 1.87 1.75 2wn5A1 LYS 111 HB3 -0.14 0.12 -0.03 -0.04 1.79 1.69 2wn5A1 LYS 111 HG2 -0.85 -0.10 -0.35 -0.04 1.46 0.11 2wn5A1 LYS 111 HG3 -0.39 0.10 -0.32 -0.04 1.46 0.81 2wn5A1 LYS 111 HD2 -0.15 -0.02 -0.10 -0.04 1.69 1.37 2wn5A1 LYS 111 HD3 -0.19 0.02 -0.13 -0.04 1.68 1.33 2wn5A1 LYS 111 HE2 -0.68 -0.02 -0.16 -0.04 2.99 2.10 2wn5A1 LYS 111 HE3 -0.45 -0.00 -0.12 -0.04 2.99 2.38 2wn5A1 VAL 112 H 0.03 0.09 0.07 -0.55 8.24 7.88 2wn5A1 VAL 112 HA 0.11 0.09 0.57 -0.75 4.13 4.15 2wn5A1 VAL 112 HB 0.04 0.18 -0.11 -0.04 2.12 2.20 2wn5A1 VAL 112 HG13 0.03 -0.01 0.00 -0.04 0.97 0.95 2wn5A1 VAL 112 HG23 0.03 -0.01 -0.16 -0.04 0.95 0.77 2wn5A1 ILE 113 H 0.09 0.13 0.22 -0.55 8.25 8.14 2wn5A1 ILE 113 HA 0.10 0.11 0.65 -0.75 4.18 4.29 2wn5A1 ILE 113 HB -0.09 -0.03 0.15 -0.04 1.89 1.88 2wn5A1 ILE 113 HG12 -0.49 0.03 0.00 -0.04 1.49 0.99 2wn5A1 ILE 113 HG13 -0.03 0.02 0.05 -0.04 1.21 1.21 2wn5A1 ILE 113 HG23 -0.27 0.00 -0.14 -0.04 0.93 0.49 2wn5A1 ILE 113 HD13 -0.51 0.00 -0.04 -0.04 0.88 0.29 2wn5A1 ARG 114 H -0.00 0.27 0.15 -0.55 8.46 8.33 2wn5A1 ARG 114 HA 0.00 0.04 0.25 -0.75 4.34 3.88 2wn5A1 ARG 114 HB2 -0.03 -0.03 0.12 -0.04 1.90 1.92 2wn5A1 ARG 114 HB3 -0.03 0.08 0.14 -0.04 1.80 1.94 2wn5A1 ARG 114 HG2 -0.08 -0.09 -0.20 -0.04 1.67 1.26 2wn5A1 ARG 114 HG3 -0.06 -0.06 -0.21 -0.04 1.67 1.31 2wn5A1 ARG 114 HD2 -0.07 0.16 -0.22 -0.04 3.22 3.05 2wn5A1 ARG 114 HD3 -0.07 0.02 -0.48 -0.04 3.22 2.64 2wn5A1 THR 115 H -0.00 0.10 0.12 -0.55 8.28 7.94 2wn5A1 THR 115 HA 0.00 0.14 0.72 -0.75 4.39 4.49 2wn5A1 THR 115 HB -0.00 -0.02 0.15 -0.04 4.32 4.41 2wn5A1 THR 115 HG23 0.01 0.02 0.04 -0.04 1.22 1.25 2wn5A1 GLU 116 H -0.00 0.13 0.18 -0.55 8.60 8.36 2wn5A1 GLU 116 HA -0.02 0.23 0.39 -0.75 4.29 4.13 2wn5A1 GLU 116 HB2 -0.00 -0.06 0.10 -0.04 2.09 2.08 2wn5A1 GLU 116 HB3 -0.01 0.06 0.09 -0.04 1.99 2.10 2wn5A1 GLU 116 HG2 0.01 -0.08 0.08 -0.04 2.34 2.31 2wn5A1 GLU 116 HG3 0.00 0.04 0.05 -0.04 2.34 2.40 2wn5A1 ASN 117 H -0.01 -0.07 -0.27 -0.55 8.53 7.63 2wn5A1 ASN 117 HA -0.01 0.27 0.86 -0.75 4.76 5.13 2wn5A1 ASN 117 HB2 -0.00 0.02 0.12 -0.04 2.88 2.97 2wn5A1 ASN 117 HB3 -0.00 0.01 0.03 -0.04 2.79 2.78 2wn5A1 ASN 117 HD21 -0.00 -0.01 -0.02 -0.04 7.03 6.95 2wn5A1 ASN 117 HD22 -0.00 0.03 -0.01 -0.04 7.74 7.72 2wn5A1 GLN 118 H -0.02 0.29 -0.32 -0.55 8.47 7.87 2wn5A1 GLN 118 HA -0.01 0.07 0.74 -0.75 4.36 4.40 2wn5A1 GLN 118 HB2 -0.03 0.16 0.11 -0.04 2.15 2.35 2wn5A1 GLN 118 HB3 -0.03 -0.01 0.05 -0.04 2.02 1.99 2wn5A1 GLN 118 HG2 -0.01 0.02 0.04 -0.04 2.40 2.40 2wn5A1 GLN 118 HG3 -0.01 -0.09 -0.05 -0.04 2.39 2.20 2wn5A1 GLN 118 HE21 -0.00 0.02 0.03 -0.04 6.97 6.97 2wn5A1 GLN 118 HE22 -0.01 0.02 0.02 -0.04 7.69 7.68 2wn5A1 ASN 119 H -0.01 0.03 0.17 -0.55 8.53 8.17 2wn5A1 ASN 119 HA 0.00 0.22 0.85 -0.75 4.76 5.07 2wn5A1 ASN 119 HB2 0.02 -0.11 0.16 -0.04 2.88 2.91 2wn5A1 ASN 119 HB3 0.10 0.11 0.05 -0.04 2.79 3.01 2wn5A1 ASN 119 HD21 0.02 0.00 -0.03 -0.04 7.03 6.98 2wn5A1 ASN 119 HD22 0.02 -0.06 0.02 -0.04 7.74 7.67 2wn5A1 GLU 120 H -0.05 -0.04 0.11 -0.55 8.60 8.08 2wn5A1 GLU 120 HA -0.43 0.16 0.46 -0.75 4.29 3.72 2wn5A1 GLU 120 HB2 -0.10 -0.05 0.01 -0.04 2.09 1.91 2wn5A1 GLU 120 HB3 -0.23 0.04 -0.03 -0.04 1.99 1.73 2wn5A1 GLU 120 HG2 -0.11 0.02 -0.01 -0.04 2.34 2.20 2wn5A1 GLU 120 HG3 -0.19 0.08 -0.07 -0.04 2.34 2.12 2wn5A1 ILE 121 H -0.21 0.22 0.15 -0.55 8.25 7.86 2wn5A1 ILE 121 HA -0.01 0.19 0.73 -0.75 4.18 4.34 2wn5A1 ILE 121 HB 0.27 -0.04 0.02 -0.04 1.89 2.10 2wn5A1 ILE 121 HG12 -0.06 0.05 -0.20 -0.04 1.49 1.23 2wn5A1 ILE 121 HG13 0.00 0.00 -0.41 -0.04 1.21 0.77 2wn5A1 ILE 121 HG23 -0.06 0.06 -0.13 -0.04 0.93 0.76 2wn5A1 ILE 121 HD13 -0.08 0.03 -0.30 -0.04 0.88 0.49 2wn5A1 SER 122 H 0.04 0.20 0.10 -0.55 8.46 8.25 2wn5A1 SER 122 HA 0.02 0.12 0.49 -0.75 4.49 4.36 2wn5A1 SER 122 HB2 0.03 0.00 0.15 -0.04 3.95 4.09 2wn5A1 SER 122 HB3 0.02 0.11 0.12 -0.04 3.93 4.14 2wn5A1 LEU 123 H 0.03 0.18 0.20 -0.55 8.37 8.24 2wn5A1 LEU 123 HA 0.09 0.14 0.52 -0.75 4.35 4.35 2wn5A1 LEU 123 HB2 0.02 -0.03 0.15 -0.04 1.64 1.73 2wn5A1 LEU 123 HB3 0.02 0.06 0.03 -0.04 1.64 1.70 2wn5A1 LEU 123 HG -0.04 0.00 0.10 -0.04 1.64 1.66 2wn5A1 LEU 123 HD13 -0.02 0.01 0.04 -0.04 0.93 0.92 2wn5A1 LEU 123 HD23 -0.12 0.02 0.04 -0.04 0.89 0.79 2wn5A1 GLU 124 H 0.06 0.07 -0.10 -0.55 8.60 8.09 2wn5A1 GLU 124 HA 0.08 0.13 0.48 -0.75 4.29 4.22 2wn5A1 GLU 124 HB2 0.06 -0.07 0.07 -0.04 2.09 2.11 2wn5A1 GLU 124 HB3 0.07 0.09 -0.06 -0.04 1.99 2.05 2wn5A1 GLU 124 HG2 0.05 0.04 0.04 -0.04 2.34 2.43 2wn5A1 GLU 124 HG3 0.04 -0.04 0.04 -0.04 2.34 2.33 2wn5A1 LYS 125 H 0.11 0.04 -0.34 -0.55 8.42 7.67 2wn5A1 LYS 125 HA 0.15 0.10 0.42 -0.75 4.32 4.23 2wn5A1 LYS 125 HB2 0.08 -0.11 0.13 -0.04 1.87 1.92 2wn5A1 LYS 125 HB3 0.04 0.10 0.08 -0.04 1.79 1.96 2wn5A1 LYS 125 HG2 0.03 0.33 0.18 -0.04 1.46 1.96 2wn5A1 LYS 125 HG3 -0.02 -0.05 -0.01 -0.04 1.46 1.33 2wn5A1 LYS 125 HD2 0.37 0.17 0.05 -0.04 1.69 2.23 2wn5A1 LYS 125 HD3 0.33 -0.06 0.03 -0.04 1.68 1.94 2wn5A1 LYS 125 HE2 0.10 -0.16 0.01 -0.04 2.99 2.90 2wn5A1 LYS 125 HE3 0.09 0.08 0.02 -0.04 2.99 3.15 2wn5A1 PHE 126 H 0.28 0.38 -0.15 -0.55 8.34 8.29 2wn5A1 PHE 126 HA -0.01 0.04 0.43 -0.75 4.62 4.33 2wn5A1 PHE 126 HB2 0.01 0.05 0.18 -0.04 3.15 3.35 2wn5A1 PHE 126 HB3 0.02 0.02 -0.06 -0.04 3.06 3.00 2wn5A1 PHE 126 HD2 -0.00 0.08 -0.14 -0.04 7.28 7.18 2wn5A1 PHE 126 HE2 -0.00 -0.02 -0.28 -0.04 7.38 7.05 2wn5A1 PHE 126 HZ 0.02 0.12 0.02 -0.04 7.32 7.44 2wn5A1 ASN 127 H 0.18 0.45 -0.15 -0.55 8.53 8.47 2wn5A1 ASN 127 HA 0.12 0.03 0.43 -0.75 4.76 4.59 2wn5A1 ASN 127 HB2 0.09 0.07 0.12 -0.04 2.88 3.13 2wn5A1 ASN 127 HB3 0.07 -0.00 0.04 -0.04 2.79 2.86 2wn5A1 ASN 127 HD21 0.05 -0.08 -0.05 -0.04 7.03 6.90 2wn5A1 ASN 127 HD22 0.06 -0.07 -0.05 -0.04 7.74 7.65 2wn5A1 GLU 128 H 0.13 0.42 -0.22 -0.55 8.60 8.39 2wn5A1 GLU 128 HA 0.14 0.05 0.50 -0.75 4.29 4.22 2wn5A1 GLU 128 HB2 0.17 0.03 0.11 -0.04 2.09 2.36 2wn5A1 GLU 128 HB3 0.31 0.08 0.11 -0.04 1.99 2.44 2wn5A1 GLU 128 HG2 0.50 0.04 -0.13 -0.04 2.34 2.70 2wn5A1 GLU 128 HG3 0.18 -0.00 0.03 -0.04 2.34 2.51 2wn5A1 PHE 129 H 0.07 0.54 -0.10 -0.55 8.34 8.29 2wn5A1 PHE 129 HA -0.36 0.07 0.46 -0.75 4.62 4.04 2wn5A1 PHE 129 HB2 -0.75 -0.00 0.09 -0.04 3.15 2.44 2wn5A1 PHE 129 HB3 -0.34 0.06 0.12 -0.04 3.06 2.85 2wn5A1 PHE 129 HD2 -0.72 -0.01 -0.11 -0.04 7.28 6.40 2wn5A1 PHE 129 HE2 -0.17 -0.02 -0.07 -0.04 7.38 7.08 2wn5A1 PHE 129 HZ -0.30 -0.00 -0.10 -0.04 7.32 6.88 2wn5A1 LYS 130 H 0.10 0.53 -0.10 -0.55 8.42 8.39 2wn5A1 LYS 130 HA -0.03 -0.00 0.38 -0.75 4.32 3.92 2wn5A1 LYS 130 HB2 0.12 0.02 0.11 -0.04 1.87 2.07 2wn5A1 LYS 130 HB3 0.07 0.11 0.16 -0.04 1.79 2.08 2wn5A1 LYS 130 HG2 0.02 0.02 -0.06 -0.04 1.46 1.40 2wn5A1 LYS 130 HG3 0.06 -0.06 0.01 -0.04 1.46 1.43 2wn5A1 LYS 130 HD2 0.04 0.05 -0.06 -0.04 1.69 1.68 2wn5A1 LYS 130 HD3 0.04 -0.02 -0.02 -0.04 1.68 1.64 2wn5A1 LYS 130 HE2 0.06 -0.03 -0.00 -0.04 2.99 2.98 2wn5A1 LYS 130 HE3 0.09 0.01 -0.01 -0.04 2.99 3.03 2wn5A1 GLU 131 H 0.04 0.52 -0.16 -0.55 8.60 8.45 2wn5A1 GLU 131 HA 0.02 -0.02 0.36 -0.75 4.29 3.90 2wn5A1 GLU 131 HB2 0.05 0.01 0.15 -0.04 2.09 2.26 2wn5A1 GLU 131 HB3 0.07 0.10 0.11 -0.04 1.99 2.22 2wn5A1 GLU 131 HG2 0.04 0.08 -0.06 -0.04 2.34 2.36 2wn5A1 GLU 131 HG3 0.03 -0.06 0.06 -0.04 2.34 2.34 2wn5A1 THR 132 H 0.01 0.31 -0.35 -0.55 8.28 7.69 2wn5A1 THR 132 HA 0.07 0.04 0.43 -0.75 4.39 4.17 2wn5A1 THR 132 HB -0.10 0.06 0.14 -0.04 4.32 4.38 2wn5A1 THR 132 HG23 0.17 -0.00 -0.15 -0.04 1.22 1.20 2wn5A1 ILE 133 H -0.17 0.31 -0.16 -0.55 8.25 7.68 2wn5A1 ILE 133 HA 0.26 0.22 0.65 -0.75 4.18 4.56 2wn5A1 ILE 133 HB -0.05 -0.12 0.07 -0.04 1.89 1.75 2wn5A1 ILE 133 HG12 -0.54 -0.16 -0.10 -0.04 1.49 0.66 2wn5A1 ILE 133 HG13 -0.34 0.26 0.14 -0.04 1.21 1.23 2wn5A1 ILE 133 HG23 -0.66 0.01 -0.06 -0.04 0.93 0.17 2wn5A1 ILE 133 HD13 -0.06 -0.04 -0.23 -0.04 0.88 0.51 2wn5A1 GLN 134 H -0.01 0.33 -0.14 -0.55 8.47 8.10 2wn5A1 GLN 134 HA 0.01 -0.08 0.40 -0.75 4.36 3.94 2wn5A1 GLN 134 HB2 0.01 0.18 0.12 -0.04 2.15 2.42 2wn5A1 GLN 134 HB3 0.01 -0.06 -0.05 -0.04 2.02 1.87 2wn5A1 GLN 134 HG2 0.01 -0.08 0.04 -0.04 2.40 2.33 2wn5A1 GLN 134 HG3 0.00 0.24 0.01 -0.04 2.39 2.60 2wn5A1 GLN 134 HE21 0.02 -0.07 -0.03 -0.04 6.97 6.85 2wn5A1 GLN 134 HE22 0.02 -0.01 -0.02 -0.04 7.69 7.63 2wn5A1 ASN 135 H 0.01 0.09 0.22 -0.55 8.53 8.29 2wn5A1 ASN 135 HA -0.01 -0.05 0.34 -0.75 4.76 4.28 2wn5A1 ASN 135 HB2 -0.01 0.19 -0.17 -0.04 2.88 2.85 2wn5A1 ASN 135 HB3 -0.02 -0.04 0.17 -0.04 2.79 2.86 2wn5A1 ASN 135 HD21 0.00 -0.06 -0.04 -0.04 7.03 6.89 2wn5A1 ASN 135 HD22 -0.00 0.08 -0.11 -0.04 7.74 7.67 2wn5A1 LYS 136 H -0.02 0.29 -0.12 -0.55 8.42 8.00 2wn5A1 LYS 136 HA -0.16 0.11 0.90 -0.75 4.32 4.42 2wn5A1 LYS 136 HB2 -0.27 0.08 -0.04 -0.04 1.87 1.59 2wn5A1 LYS 136 HB3 -0.70 -0.03 -0.03 -0.04 1.79 1.00 2wn5A1 LYS 136 HG2 -0.11 -0.08 -0.06 -0.04 1.46 1.17 2wn5A1 LYS 136 HG3 -0.05 0.23 -0.37 -0.04 1.46 1.23 2wn5A1 LYS 136 HD2 0.14 0.15 0.06 -0.04 1.69 1.99 2wn5A1 LYS 136 HD3 -0.06 -0.07 0.06 -0.04 1.68 1.57 2wn5A1 LYS 136 HE2 0.02 -0.09 0.04 -0.04 2.99 2.91 2wn5A1 LYS 136 HE3 0.03 0.00 -0.02 -0.04 2.99 2.96 2wn5A1 LEU 137 H -0.24 0.18 0.13 -0.55 8.37 7.89 2wn5A1 LEU 137 HA -0.05 0.24 0.84 -0.75 4.35 4.63 2wn5A1 LEU 137 HB2 -0.09 -0.01 0.03 -0.04 1.64 1.54 2wn5A1 LEU 137 HB3 -0.02 -0.05 -0.11 -0.04 1.64 1.42 2wn5A1 LEU 137 HG -0.06 0.02 -0.14 -0.04 1.64 1.42 2wn5A1 LEU 137 HD13 -0.03 -0.01 -0.10 -0.04 0.93 0.76 2wn5A1 LEU 137 HD23 -0.01 0.01 -0.21 -0.04 0.89 0.65 2wn5A1 PHE 138 H 0.23 0.66 0.27 -0.55 8.34 8.94 2wn5A1 PHE 138 HA 0.07 0.16 0.95 -0.75 4.62 5.05 2wn5A1 PHE 138 HB2 0.30 -0.07 0.07 -0.04 3.15 3.41 2wn5A1 PHE 138 HB3 0.09 0.09 -0.05 -0.04 3.06 3.15 2wn5A1 PHE 138 HD2 0.14 -0.00 -0.09 -0.04 7.28 7.29 2wn5A1 PHE 138 HE2 0.07 0.15 -0.07 -0.04 7.38 7.48 2wn5A1 PHE 138 HZ 0.06 0.19 -0.01 -0.04 7.32 7.52 2wn5A1 LYS 139 H 0.11 0.16 0.09 -0.55 8.42 8.22 2wn5A1 LYS 139 HA 0.06 0.09 0.59 -0.75 4.32 4.30 2wn5A1 LYS 139 HB2 0.02 -0.02 0.09 -0.04 1.87 1.92 2wn5A1 LYS 139 HB3 -0.00 0.02 -0.10 -0.04 1.79 1.67 2wn5A1 LYS 139 HG2 -0.01 -0.00 -0.14 -0.04 1.46 1.26 2wn5A1 LYS 139 HG3 0.00 -0.01 -0.08 -0.04 1.46 1.33 2wn5A1 LYS 139 HD2 -0.02 -0.02 -0.02 -0.04 1.69 1.59 2wn5A1 LYS 139 HD3 -0.03 -0.03 -0.12 -0.04 1.68 1.45 2wn5A1 LYS 139 HE2 -0.14 -0.04 -0.32 -0.04 2.99 2.45 2wn5A1 LYS 139 HE3 -0.07 -0.04 -0.19 -0.04 2.99 2.64 2wn5A1 GLN 140 H 0.00 0.81 0.43 -0.55 8.47 9.17 2wn5A1 GLN 140 HA -0.04 0.15 0.85 -0.75 4.36 4.57 2wn5A1 GLN 140 HB2 -0.16 -0.07 0.00 -0.04 2.15 1.88 2wn5A1 GLN 140 HB3 -0.03 -0.02 -0.06 -0.04 2.02 1.87 2wn5A1 GLN 140 HG2 0.23 0.11 -0.15 -0.04 2.40 2.56 2wn5A1 GLN 140 HG3 0.31 -0.06 -0.16 -0.04 2.39 2.44 2wn5A1 GLN 140 HE21 -0.08 0.05 -0.25 -0.04 6.97 6.65 2wn5A1 GLN 140 HE22 0.27 0.11 -0.54 -0.04 7.69 7.48 2wn5A1 ASP 141 H -0.10 0.28 0.12 -0.55 8.40 8.15 2wn5A1 ASP 141 HA -0.21 0.30 0.64 -0.75 4.63 4.61 2wn5A1 ASP 141 HB2 -0.09 -0.01 -0.04 -0.04 2.71 2.52 2wn5A1 ASP 141 HB3 -0.14 0.02 0.05 -0.04 2.70 2.59 2wn5A1 GLY 142 H -0.20 0.30 0.15 -0.55 8.43 8.13 2wn5A1 GLY 142 HA2 -0.32 -0.00 0.21 -0.51 4.01 3.39 2wn5A1 GLY 142 HA3 -0.14 0.17 0.40 -0.51 4.01 3.93 2wn5A1 PHE 143 H -0.25 0.06 0.18 -0.55 8.34 7.77 2wn5A1 PHE 143 HA -0.02 0.25 0.69 -0.75 4.62 4.78 2wn5A1 PHE 143 HB2 0.14 -0.08 0.09 -0.04 3.15 3.26 2wn5A1 PHE 143 HB3 -0.02 0.02 0.02 -0.04 3.06 3.04 2wn5A1 PHE 143 HD2 0.06 0.06 -0.12 -0.04 7.28 7.24 2wn5A1 PHE 143 HE2 0.06 0.00 -0.11 -0.04 7.38 7.29 2wn5A1 PHE 143 HZ -0.21 0.07 0.01 -0.04 7.32 7.15 2wn5A1 LYS 144 H 0.14 0.58 0.32 -0.55 8.42 8.91 2wn5A1 LYS 144 HA 0.09 0.05 0.69 -0.75 4.32 4.38 2wn5A1 LYS 144 HB2 -0.09 0.11 -0.32 -0.04 1.87 1.53 2wn5A1 LYS 144 HB3 -0.12 -0.06 -0.08 -0.04 1.79 1.50 2wn5A1 LYS 144 HG2 -0.42 0.03 -0.23 -0.04 1.46 0.79 2wn5A1 LYS 144 HG3 -0.10 -0.03 0.07 -0.04 1.46 1.36 2wn5A1 LYS 144 HD2 -0.48 -0.03 -0.15 -0.04 1.69 0.99 2wn5A1 LYS 144 HD3 -1.05 -0.01 -0.10 -0.04 1.68 0.48 2wn5A1 LYS 144 HE2 -0.05 0.10 -0.02 -0.04 2.99 2.98 2wn5A1 LYS 144 HE3 -0.04 -0.02 -0.05 -0.04 2.99 2.83 2wn5A1 ASP 145 H 0.13 0.11 0.14 -0.55 8.40 8.24 2wn5A1 ASP 145 HA 0.14 0.26 0.91 -0.75 4.63 5.18 2wn5A1 ASP 145 HB2 0.16 -0.03 0.16 -0.04 2.71 2.95 2wn5A1 ASP 145 HB3 0.15 0.02 0.03 -0.04 2.70 2.86 2wn5A1 ILE 146 H 0.10 0.69 0.41 -0.55 8.25 8.90 2wn5A1 ILE 146 HA 0.19 0.26 1.04 -0.75 4.18 4.91 2wn5A1 ILE 146 HB 0.18 -0.00 0.04 -0.04 1.89 2.06 2wn5A1 ILE 146 HG12 0.07 -0.00 -0.21 -0.04 1.49 1.31 2wn5A1 ILE 146 HG13 0.07 0.18 -0.06 -0.04 1.21 1.36 2wn5A1 ILE 146 HG23 0.06 -0.00 -0.37 -0.04 0.93 0.58 2wn5A1 ILE 146 HD13 0.06 -0.03 -0.43 -0.04 0.88 0.44 2wn5A1 SER 147 H 0.20 0.69 0.40 -0.55 8.46 9.20 2wn5A1 SER 147 HA 0.08 0.12 0.88 -0.75 4.49 4.82 2wn5A1 SER 147 HB2 0.11 0.01 0.04 -0.04 3.95 4.07 2wn5A1 SER 147 HB3 0.15 0.10 0.12 -0.04 3.93 4.26 2wn5A1 LEU 148 H -0.05 0.14 0.13 -0.55 8.37 8.06 2wn5A1 LEU 148 HA 0.00 0.28 0.83 -0.75 4.35 4.71 2wn5A1 LEU 148 HB2 -0.76 -0.04 0.05 -0.04 1.64 0.84 2wn5A1 LEU 148 HB3 -0.35 0.04 0.14 -0.04 1.64 1.42 2wn5A1 LEU 148 HG -0.08 -0.05 -0.04 -0.04 1.64 1.43 2wn5A1 LEU 148 HD13 -0.07 -0.00 -0.03 -0.04 0.93 0.79 2wn5A1 LEU 148 HD23 -0.01 0.02 -0.13 -0.04 0.89 0.73 2wn5A1 TYR 149 H 0.06 0.05 -0.15 -0.55 8.29 7.70 2wn5A1 TYR 149 HA -0.01 0.18 0.87 -0.75 4.56 4.85 2wn5A1 TYR 149 HB2 -0.06 -0.01 -0.06 -0.04 3.06 2.89 2wn5A1 TYR 149 HB3 -0.08 0.05 -0.01 -0.04 2.98 2.90 2wn5A1 TYR 149 HD2 0.00 0.01 -0.03 -0.04 7.15 7.09 2wn5A1 TYR 149 HE2 0.01 0.01 -0.04 -0.04 6.85 6.78 2wn5A1 GLU 150 H -0.41 0.10 0.05 -0.55 8.60 7.79 2wn5A1 GLU 150 HA -1.24 0.09 0.38 -0.75 4.29 2.77 2wn5A1 GLU 150 HB2 -0.58 -0.02 0.06 -0.04 2.09 1.52 2wn5A1 GLU 150 HB3 -0.27 -0.06 0.04 -0.04 1.99 1.67 2wn5A1 GLU 150 HG2 -0.28 0.23 -0.14 -0.04 2.34 2.11 2wn5A1 GLU 150 HG3 -0.34 -0.03 -0.04 -0.04 2.34 1.89 2wn5A1 PRO 151 HA -0.03 0.00 0.44 -0.51 4.44 4.34 2wn5A1 PRO 151 HB2 0.11 0.07 -0.15 -0.04 2.28 2.28 2wn5A1 PRO 151 HB3 0.17 0.02 0.02 -0.04 2.02 2.19 2wn5A1 PRO 151 HG2 -0.08 0.01 -0.02 -0.04 2.03 1.90 2wn5A1 PRO 151 HG3 -0.01 0.03 -0.04 -0.04 2.03 1.97 2wn5A1 PRO 151 HD2 -0.45 0.03 0.16 -0.04 3.68 3.38 2wn5A1 PRO 151 HD3 -0.21 0.20 0.12 -0.04 3.65 3.73 2wn5A1 GLY 152 H -0.03 0.06 0.07 -0.55 8.43 7.99 2wn5A1 GLY 152 HA2 -0.04 0.18 0.74 -0.51 4.01 4.38 2wn5A1 GLY 152 HA3 -0.04 0.03 0.30 -0.51 4.01 3.79 2wn5A1 LYS 153 H -0.02 0.11 0.13 -0.55 8.42 8.08 2wn5A1 LYS 153 HA -0.01 0.13 0.60 -0.75 4.32 4.29 2wn5A1 GLY 154 H -0.01 0.22 0.10 -0.55 8.43 8.19 2wn5A1 GLY 154 HA2 -0.01 -0.01 0.36 -0.51 4.01 3.84 2wn5A1 GLY 154 HA3 -0.02 0.17 0.78 -0.51 4.01 4.43 2wn5A1 ASP 155 H -0.02 0.20 -0.41 -0.55 8.40 7.63 2wn5A1 ASP 155 HA -0.01 0.05 0.47 -0.75 4.63 4.39 2wn5A1 ASP 155 HB2 0.00 0.10 0.01 -0.04 2.71 2.79 2wn5A1 ASP 155 HB3 0.03 0.06 0.02 -0.04 2.70 2.77 2wn5A1 GLU 156 H -0.01 0.10 0.14 -0.55 8.60 8.29 2wn5A1 GLU 156 HA -0.07 0.07 0.56 -0.75 4.29 4.10 2wn5A1 LYS 157 H -0.17 0.18 0.06 -0.55 8.42 7.93 2wn5A1 LYS 157 HA -1.34 0.17 0.83 -0.75 4.32 3.23 2wn5A1 LYS 157 HB2 -0.16 0.00 0.12 -0.04 1.87 1.79 2wn5A1 LYS 157 HB3 -0.70 0.04 0.02 -0.04 1.79 1.11 2wn5A1 LYS 157 HG2 -0.23 -0.00 -0.33 -0.04 1.46 0.86 2wn5A1 LYS 157 HG3 -0.16 0.15 -0.49 -0.04 1.46 0.92 2wn5A1 LYS 157 HD2 -0.25 -0.01 -0.19 -0.04 1.69 1.20 2wn5A1 LYS 157 HD3 -0.06 0.01 -0.32 -0.04 1.68 1.27 2wn5A1 LYS 157 HE2 0.09 0.00 -0.08 -0.04 2.99 2.95 2wn5A1 LYS 157 HE3 0.04 -0.09 -0.25 -0.04 2.99 2.65 2wn5A1 PRO 158 HA -0.07 0.10 0.21 -0.51 4.44 4.17 2wn5A1 PRO 158 HB2 0.00 0.01 0.05 -0.04 2.28 2.29 2wn5A1 PRO 158 HB3 -0.04 -0.01 0.02 -0.04 2.02 1.95 2wn5A1 PRO 158 HG2 0.03 0.03 -0.10 -0.04 2.03 1.95 2wn5A1 PRO 158 HG3 -0.00 0.03 -0.03 -0.04 2.03 1.99 2wn5A1 PRO 158 HD2 -0.50 0.09 0.07 -0.04 3.68 3.30 2wn5A1 PRO 158 HD3 -0.26 0.21 -0.36 -0.04 3.65 3.20 2wn5A1 THR 159 H -0.12 0.25 -0.37 -0.55 8.28 7.49 2wn5A1 THR 159 HA 0.07 0.16 0.74 -0.75 4.39 4.61 2wn5A1 THR 159 HB 0.13 -0.03 -0.35 -0.04 4.32 4.03 2wn5A1 THR 159 HG23 0.36 -0.19 -0.11 -0.04 1.22 1.24 2wn5A1 PRO 160 HA 0.21 0.26 0.72 -0.51 4.44 5.12 2wn5A1 PRO 160 HB2 -0.09 -0.06 0.07 -0.04 2.28 2.16 2wn5A1 PRO 160 HB3 -0.12 0.18 0.11 -0.04 2.02 2.16 2wn5A1 PRO 160 HG2 -0.02 -0.19 0.15 -0.04 2.03 1.93 2wn5A1 PRO 160 HG3 -0.03 0.15 -0.01 -0.04 2.03 2.10 2wn5A1 PRO 160 HD2 0.05 0.07 0.25 -0.04 3.68 4.01 2wn5A1 PRO 160 HD3 0.05 0.14 0.23 -0.04 3.65 4.02 2wn5A1 LEU 161 H 0.21 0.10 -0.34 -0.55 8.37 7.79 2wn5A1 LEU 161 HA -0.07 0.26 1.11 -0.75 4.35 4.90 2wn5A1 LEU 161 HB2 -0.22 -0.07 -0.02 -0.04 1.64 1.28 2wn5A1 LEU 161 HB3 0.05 0.22 0.18 -0.04 1.64 2.05 2wn5A1 LEU 161 HG -0.00 -0.05 -0.33 -0.04 1.64 1.22 2wn5A1 LEU 161 HD13 -0.32 0.05 -0.11 -0.04 0.93 0.51 2wn5A1 LEU 161 HD23 0.20 0.00 -0.25 -0.04 0.89 0.80 2wn5A1 LEU 162 H -0.07 0.73 0.25 -0.55 8.37 8.74 2wn5A1 LEU 162 HA -0.55 0.13 0.90 -0.75 4.35 4.07 2wn5A1 LEU 162 HB2 -0.66 -0.01 -0.11 -0.04 1.64 0.81 2wn5A1 LEU 162 HB3 -0.20 -0.03 0.04 -0.04 1.64 1.42 2wn5A1 LEU 162 HG -0.18 0.06 -0.41 -0.04 1.64 1.07 2wn5A1 LEU 162 HD13 -0.87 0.02 -0.15 -0.04 0.93 -0.11 2wn5A1 LEU 162 HD23 -0.20 -0.02 -0.12 -0.04 0.89 0.51 2wn5A1 MET 163 H -0.40 0.77 0.39 -0.55 8.47 8.68 2wn5A1 MET 163 HA -0.21 0.09 0.71 -0.75 4.52 4.37 2wn5A1 MET 163 HB2 -1.31 0.01 0.12 -0.04 2.15 0.93 2wn5A1 MET 163 HB3 -0.47 -0.01 -0.04 -0.04 2.03 1.47 2wn5A1 MET 163 HG2 -0.21 0.02 -0.10 -0.04 2.63 2.30 2wn5A1 MET 163 HG3 -0.15 -0.01 -0.14 -0.04 2.56 2.23 2wn5A1 MET 163 HE3 -0.12 0.01 -0.15 -0.04 2.10 1.80 2wn5A1 HIS 164 H -0.08 0.74 0.25 -0.55 8.41 8.78 2wn5A1 HIS 164 HA -0.40 0.33 0.87 -0.75 4.63 4.68 2wn5A1 HIS 164 HB2 -0.17 -0.02 -0.12 -0.04 3.26 2.91 2wn5A1 HIS 164 HB3 -0.13 -0.05 0.06 -0.04 3.20 3.05 2wn5A1 HIS 164 HD2 -1.00 0.17 -0.27 -0.04 6.97 5.83 2wn5A1 HIS 164 HE1 -0.31 -0.03 -0.09 -0.04 7.75 7.28 2wn5A1 LEU 165 H -0.11 0.63 0.17 -0.55 8.37 8.51 2wn5A1 LEU 165 HA -0.12 0.20 0.73 -0.75 4.35 4.41 2wn5A1 LEU 165 HB2 0.04 -0.03 -0.15 -0.04 1.64 1.45 2wn5A1 LEU 165 HB3 0.11 -0.00 -0.03 -0.04 1.64 1.67 2wn5A1 LEU 165 HG -0.08 0.03 -0.56 -0.04 1.64 0.99 2wn5A1 LEU 165 HD13 -0.03 0.02 -0.35 -0.04 0.93 0.53 2wn5A1 LEU 165 HD23 0.21 -0.01 -0.23 -0.04 0.89 0.83 2wn5A1 LYS 166 H -0.18 0.56 0.30 -0.55 8.42 8.54 2wn5A1 LYS 166 HA -0.62 0.11 0.71 -0.75 4.32 3.77 2wn5A1 LYS 166 HB2 -0.40 0.02 0.11 -0.04 1.87 1.55 2wn5A1 LYS 166 HB3 -0.26 -0.06 0.27 -0.04 1.79 1.70 2wn5A1 LYS 166 HG2 -0.40 0.02 -0.29 -0.04 1.46 0.76 2wn5A1 LYS 166 HG3 -1.11 -0.02 -0.15 -0.04 1.46 0.15 2wn5A1 LYS 166 HD2 -0.15 0.00 -0.03 -0.04 1.69 1.47 2wn5A1 LYS 166 HD3 -0.17 -0.02 -0.02 -0.04 1.68 1.42 2wn5A1 LYS 166 HE2 -0.16 -0.02 -0.06 -0.04 2.99 2.71 2wn5A1 LYS 166 HE3 -0.23 0.01 -0.09 -0.04 2.99 2.63 2wn5A1 LEU 167 H -0.26 0.81 0.30 -0.55 8.37 8.68 2wn5A1 LEU 167 HA -0.23 0.11 0.70 -0.75 4.35 4.18 2wn5A1 LEU 167 HB2 -0.10 0.00 0.15 -0.04 1.64 1.65 2wn5A1 LEU 167 HB3 -0.09 0.05 -0.00 -0.04 1.64 1.56 2wn5A1 LEU 167 HG -0.06 0.02 -0.12 -0.04 1.64 1.44 2wn5A1 LEU 167 HD13 0.02 -0.00 -0.14 -0.04 0.93 0.76 2wn5A1 LEU 167 HD23 -0.05 -0.01 -0.15 -0.04 0.89 0.64 2wn5A1 PRO 168 HA -0.12 -0.00 0.41 -0.51 4.44 4.21 2wn5A1 PRO 168 HB2 -0.07 0.15 -0.01 -0.04 2.28 2.31 2wn5A1 PRO 168 HB3 -0.11 -0.00 0.10 -0.04 2.02 1.97 2wn5A1 PRO 168 HG2 -0.09 0.06 -0.05 -0.04 2.03 1.91 2wn5A1 PRO 168 HG3 -0.13 0.02 0.02 -0.04 2.03 1.89 2wn5A1 PRO 168 HD2 -0.22 0.07 0.18 -0.04 3.68 3.66 2wn5A1 PRO 168 HD3 -0.25 0.16 0.22 -0.04 3.65 3.74 2wn5A1 ARG 169 H -0.06 0.05 0.06 -0.55 8.46 7.95 2wn5A1 ARG 169 HA -0.04 0.08 0.07 -0.75 4.34 3.70 2wn5A1 ARG 169 HB2 -0.03 -0.05 -0.01 -0.04 1.90 1.77 2wn5A1 ARG 169 HB3 -0.03 -0.05 0.04 -0.04 1.80 1.72 2wn5A1 ARG 169 HG2 -0.02 0.02 -0.27 -0.04 1.67 1.36 2wn5A1 ARG 169 HG3 -0.02 0.14 -0.23 -0.04 1.67 1.52 2wn5A1 ARG 169 HD2 -0.01 0.06 0.07 -0.04 3.22 3.29 2wn5A1 ARG 169 HD3 -0.02 -0.08 -0.01 -0.04 3.22 3.07 2wn5A1 ASN 170 H -0.02 0.71 0.15 -0.55 8.53 8.82 2wn5A1 ASN 170 HA -0.01 0.07 0.22 -0.75 4.76 4.29 2wn5A1 ASN 170 HB2 -0.01 -0.08 -0.44 -0.04 2.88 2.31 2wn5A1 ASN 170 HB3 -0.01 0.05 0.09 -0.04 2.79 2.87 2wn5A1 ASN 170 HD21 -0.00 -0.03 0.01 -0.04 7.03 6.96 2wn5A1 ASN 170 HD22 -0.01 0.00 0.02 -0.04 7.74 7.71 2wn5A1 THR 171 H -0.02 0.31 -0.32 -0.55 8.28 7.70 2wn5A1 THR 171 HA 0.01 0.03 0.59 -0.75 4.39 4.27 2wn5A1 THR 171 HB -0.02 -0.05 -0.02 -0.04 4.32 4.20 2wn5A1 THR 171 HG23 0.04 0.04 -0.12 -0.04 1.22 1.14 2wn5A1 GLY 172 H 0.02 0.08 0.13 -0.55 8.43 8.12 2wn5A1 GLY 172 HA2 0.01 0.16 0.46 -0.51 4.01 4.13 2wn5A1 GLY 172 HA3 0.01 -0.03 0.15 -0.51 4.01 3.63 2wn5A1 MET 173 H 0.01 0.85 0.36 -0.55 8.47 9.14 2wn5A1 MET 173 HA 0.02 0.15 0.82 -0.75 4.52 4.75 2wn5A1 MET 173 HB2 0.02 0.01 -0.26 -0.04 2.15 1.88 2wn5A1 MET 173 HB3 0.02 -0.03 0.05 -0.04 2.03 2.03 2wn5A1 MET 173 HG2 0.03 -0.06 -0.22 -0.04 2.63 2.33 2wn5A1 MET 173 HG3 0.03 0.03 -0.13 -0.04 2.56 2.45 2wn5A1 MET 173 HE3 0.00 0.01 -0.15 -0.04 2.10 1.92 2wn5A1 LEU 174 H 0.02 0.71 0.22 -0.55 8.37 8.77 2wn5A1 LEU 174 HA 0.02 0.27 0.97 -0.75 4.35 4.87 2wn5A1 LEU 174 HB2 -0.03 0.02 -0.08 -0.04 1.64 1.50 2wn5A1 LEU 174 HB3 -0.04 -0.08 0.15 -0.04 1.64 1.62 2wn5A1 LEU 174 HG 0.02 -0.02 -0.27 -0.04 1.64 1.32 2wn5A1 LEU 174 HD13 -0.00 0.04 -0.09 -0.04 0.93 0.83 2wn5A1 LEU 174 HD23 -0.16 -0.04 -0.19 -0.04 0.89 0.45 2wn5A1 PRO 175 HA 0.03 0.19 0.84 -0.51 4.44 4.98 2wn5A1 PRO 175 HB2 0.01 -0.04 0.02 -0.04 2.28 2.24 2wn5A1 PRO 175 HB3 -0.01 -0.01 0.08 -0.04 2.02 2.04 2wn5A1 PRO 175 HG2 0.03 0.02 0.04 -0.04 2.03 2.08 2wn5A1 PRO 175 HG3 0.02 0.01 -0.00 -0.04 2.03 2.02 2wn5A1 PRO 175 HD2 0.03 0.09 0.26 -0.04 3.68 4.03 2wn5A1 PRO 175 HD3 0.03 0.43 0.08 -0.04 3.65 4.15 2wn5A1 TYR 176 H -0.15 0.70 0.43 -0.55 8.29 8.72 2wn5A1 TYR 176 HA -0.01 0.13 0.55 -0.75 4.56 4.47 2wn5A1 TYR 176 HB2 -0.01 0.00 0.07 -0.04 3.06 3.08 2wn5A1 TYR 176 HB3 -0.03 0.11 -0.25 -0.04 2.98 2.77 2wn5A1 TYR 176 HD2 -0.00 0.25 -0.23 -0.04 7.15 7.12 2wn5A1 TYR 176 HE2 0.06 -0.03 -0.22 -0.04 6.85 6.62 2wn5A1 THR 177 H 0.11 0.16 0.12 -0.55 8.28 8.12 2wn5A1 THR 177 HA -0.09 0.17 0.92 -0.75 4.39 4.64 2wn5A1 THR 177 HB -0.00 0.14 0.07 -0.04 4.32 4.49 2wn5A1 THR 177 HG23 -0.01 -0.03 -0.03 -0.04 1.22 1.10 2wn5A1 ASN 178 H -0.06 0.70 0.16 -0.55 8.53 8.79 2wn5A1 ASN 178 HA 0.08 0.17 0.42 -0.75 4.76 4.68 2wn5A1 ASN 178 HB2 0.12 0.02 -0.22 -0.04 2.88 2.76 2wn5A1 ASN 178 HB3 0.01 -0.05 0.02 -0.04 2.79 2.73 2wn5A1 ASN 178 HD21 0.08 0.16 0.10 -0.04 7.03 7.33 2wn5A1 ASN 178 HD22 0.19 -0.05 -0.01 -0.04 7.74 7.82 2wn5A1 ASN 180 HA -0.02 -0.06 0.29 -0.75 4.76 4.23 2wn5A1 ASN 180 HB2 -0.01 -0.05 0.11 -0.04 2.88 2.88 2wn5A1 ASN 180 HB3 -0.02 -0.03 0.01 -0.04 2.79 2.71 2wn5A1 ASN 180 HD21 -0.01 -0.01 0.03 -0.04 7.03 7.00 2wn5A1 ASN 180 HD22 -0.01 -0.01 0.04 -0.04 7.74 7.72 2wn5A1 ASN 181 H -0.02 0.13 -0.06 -0.55 8.53 8.03 2wn5A1 ASN 181 HA -0.05 0.15 0.57 -0.75 4.76 4.68 2wn5A1 ASN 181 HB2 -0.03 -0.01 0.08 -0.04 2.88 2.89 2wn5A1 ASN 181 HB3 -0.05 -0.04 -0.05 -0.04 2.79 2.60 2wn5A1 ASN 181 HD21 -0.02 -0.00 0.00 -0.04 7.03 6.97 2wn5A1 ASN 181 HD22 -0.02 -0.02 0.00 -0.04 7.74 7.67 2wn5A1 VAL 182 H -0.08 0.23 0.19 -0.55 8.24 8.02 2wn5A1 VAL 182 HA -0.18 0.25 0.94 -0.75 4.13 4.38 2wn5A1 VAL 182 HB -0.10 -0.06 0.08 -0.04 2.12 1.99 2wn5A1 VAL 182 HG13 -0.12 0.01 -0.12 -0.04 0.97 0.70 2wn5A1 VAL 182 HG23 -0.10 -0.01 -0.18 -0.04 0.95 0.62 2wn5A1 SER 183 H -0.50 0.67 0.32 -0.55 8.46 8.40 2wn5A1 SER 183 HA -0.12 0.19 0.76 -0.75 4.49 4.57 2wn5A1 SER 183 HB2 -0.20 -0.04 -0.12 -0.04 3.95 3.55 2wn5A1 SER 183 HB3 -0.65 0.01 -0.04 -0.04 3.93 3.21 2wn5A1 THR 184 H 0.01 0.32 0.25 -0.55 8.28 8.31 2wn5A1 THR 184 HA 0.07 0.25 0.88 -0.75 4.39 4.83 2wn5A1 THR 184 HB 0.04 0.02 -0.01 -0.04 4.32 4.33 2wn5A1 THR 184 HG23 0.04 0.01 -0.34 -0.04 1.22 0.89 2wn5A1 LEU 185 H 0.15 0.80 0.21 -0.55 8.37 8.99 2wn5A1 LEU 185 HA 0.08 0.19 0.84 -0.75 4.35 4.70 2wn5A1 LEU 185 HB2 -0.02 -0.06 -0.02 -0.04 1.64 1.50 2wn5A1 LEU 185 HB3 -0.11 0.05 0.13 -0.04 1.64 1.67 2wn5A1 LEU 185 HG -0.21 0.06 -0.22 -0.04 1.64 1.23 2wn5A1 LEU 185 HD13 -0.34 -0.01 -0.12 -0.04 0.93 0.42 2wn5A1 LEU 185 HD23 -0.85 -0.02 -0.10 -0.04 0.89 -0.11 2wn5A1 ILE 186 H 0.04 0.67 0.38 -0.55 8.25 8.80 2wn5A1 ILE 186 HA 0.04 0.24 0.70 -0.75 4.18 4.40 2wn5A1 ILE 186 HB 0.07 0.04 0.00 -0.04 1.89 1.96 2wn5A1 ILE 186 HG12 0.01 0.08 -0.07 -0.04 1.49 1.47 2wn5A1 ILE 186 HG13 0.02 -0.08 -0.22 -0.04 1.21 0.88 2wn5A1 ILE 186 HG23 0.05 0.04 -0.14 -0.04 0.93 0.83 2wn5A1 ILE 186 HD13 0.05 -0.01 -0.22 -0.04 0.88 0.66 2wn5A1 GLU 187 H 0.06 0.29 0.05 -0.55 8.60 8.46 2wn5A1 GLU 187 HA 0.08 0.18 0.72 -0.75 4.29 4.52 2wn5A1 GLU 187 HB2 0.23 -0.04 -0.08 -0.04 2.09 2.17 2wn5A1 GLU 187 HB3 0.04 0.01 0.05 -0.04 1.99 2.05 2wn5A1 GLU 187 HG2 -0.12 0.21 -0.29 -0.04 2.34 2.10 2wn5A1 GLU 187 HG3 -0.30 -0.11 -0.18 -0.04 2.34 1.69 2wn5A1 GLN 188 H -0.11 0.69 -0.02 -0.55 8.47 8.48 2wn5A1 GLN 188 HA -0.44 0.04 0.36 -0.75 4.36 3.56 2wn5A1 GLN 188 HB2 -0.25 -0.08 -0.39 -0.04 2.15 1.38 2wn5A1 GLN 188 HB3 -0.57 -0.01 -0.30 -0.04 2.02 1.09 2wn5A1 GLN 188 HG2 -0.03 -0.03 -0.21 -0.04 2.40 2.09 2wn5A1 GLN 188 HG3 -0.09 0.01 -0.21 -0.04 2.39 2.05 2wn5A1 GLN 188 HE21 -0.07 -0.04 -0.16 -0.04 6.97 6.66 2wn5A1 GLN 188 HE22 -0.09 0.28 -0.44 -0.04 7.69 7.40 2wn5A1 GLY 189 H -1.20 0.09 0.01 -0.55 8.43 6.78 2wn5A1 GLY 189 HA2 -0.25 0.12 0.56 -0.51 4.01 3.94 2wn5A1 GLY 189 HA3 -0.17 -0.01 0.39 -0.51 4.01 3.71 2wn5A1 TYR 190 H -0.44 0.58 0.30 -0.55 8.29 8.18 2wn5A1 TYR 190 HA -0.04 0.08 0.64 -0.75 4.56 4.49 2wn5A1 TYR 190 HB2 -0.01 0.14 0.08 -0.04 3.06 3.23 2wn5A1 TYR 190 HB3 -0.03 0.08 -0.01 -0.04 2.98 2.98 2wn5A1 TYR 190 HD2 0.01 0.11 -0.36 -0.04 7.15 6.87 2wn5A1 TYR 190 HE2 0.03 0.06 -0.14 -0.04 6.85 6.76 2wn5A1 SER 191 H 0.14 0.50 0.27 -0.55 8.46 8.82 2wn5A1 SER 191 HA 0.16 0.27 0.94 -0.75 4.49 5.11 2wn5A1 SER 191 HB2 0.05 0.10 0.04 -0.04 3.95 4.10 2wn5A1 SER 191 HB3 0.07 -0.02 -0.13 -0.04 3.93 3.81 2wn5A1 ILE 192 H 0.25 0.69 0.31 -0.55 8.25 8.96 2wn5A1 ILE 192 HA 0.11 0.27 1.04 -0.75 4.18 4.84 2wn5A1 ILE 192 HB 0.15 0.02 -0.02 -0.04 1.89 1.99 2wn5A1 ILE 192 HG12 0.39 0.10 -0.03 -0.04 1.49 1.91 2wn5A1 ILE 192 HG13 0.41 -0.02 -0.18 -0.04 1.21 1.38 2wn5A1 ILE 192 HG23 0.26 -0.02 -0.28 -0.04 0.93 0.85 2wn5A1 ILE 192 HD13 0.41 -0.02 -0.19 -0.04 0.88 1.04 2wn5A1 LYS 193 H 0.06 0.52 0.29 -0.55 8.42 8.74 2wn5A1 LYS 193 HA 0.15 0.34 0.89 -0.75 4.32 4.95 2wn5A1 LYS 193 HB2 0.03 0.08 0.03 -0.04 1.87 1.96 2wn5A1 LYS 193 HB3 0.03 0.00 -0.02 -0.04 1.79 1.76 2wn5A1 LYS 193 HG2 0.01 0.01 -0.03 -0.04 1.46 1.40 2wn5A1 LYS 193 HG3 0.01 -0.10 -0.12 -0.04 1.46 1.20 2wn5A1 LYS 193 HD2 0.00 0.03 -0.11 -0.04 1.69 1.57 2wn5A1 LYS 193 HD3 -0.00 0.02 -0.10 -0.04 1.68 1.56 2wn5A1 LYS 193 HE2 -0.01 -0.05 -0.07 -0.04 2.99 2.81 2wn5A1 LYS 193 HE3 -0.01 0.00 -0.06 -0.04 2.99 2.88 2wn5A1 ILE 194 H 0.09 0.34 0.09 -0.55 8.25 8.22 2wn5A1 ILE 194 HA -0.03 0.12 0.82 -0.75 4.18 4.34 2wn5A1 ILE 194 HB -0.07 0.09 0.06 -0.04 1.89 1.92 2wn5A1 ILE 194 HG12 -0.22 -0.03 -0.24 -0.04 1.49 0.96 2wn5A1 ILE 194 HG13 -0.14 -0.05 -0.29 -0.04 1.21 0.69 2wn5A1 ILE 194 HG23 -0.05 -0.02 -0.27 -0.04 0.93 0.55 2wn5A1 ILE 194 HD13 -0.83 0.01 -0.12 -0.04 0.88 -0.09 2wn5A1 ASP 195 H -0.01 0.53 0.35 -0.55 8.40 8.72 2wn5A1 ASP 195 HA 0.00 0.07 0.48 -0.75 4.63 4.43 2wn5A1 ASP 195 HB2 0.00 0.02 0.03 -0.04 2.71 2.71 2wn5A1 ASP 195 HB3 0.00 -0.04 0.03 -0.04 2.70 2.65 2wn5A1 LYS 196 H 0.00 0.37 0.13 -0.55 8.42 8.38 2wn5A1 LYS 196 HA 0.03 0.11 0.70 -0.75 4.32 4.41 2wn5A1 LYS 196 HB2 0.02 0.08 -0.23 -0.04 1.87 1.70 2wn5A1 LYS 196 HB3 0.02 -0.07 -0.01 -0.04 1.79 1.69 2wn5A1 LYS 196 HG2 0.04 0.05 -0.24 -0.04 1.46 1.27 2wn5A1 LYS 196 HG3 0.03 0.02 0.07 -0.04 1.46 1.54 2wn5A1 LYS 196 HD2 0.02 -0.00 -0.04 -0.04 1.69 1.62 2wn5A1 LYS 196 HD3 0.02 -0.04 -0.08 -0.04 1.68 1.54 2wn5A1 LYS 196 HE2 0.01 -0.04 -0.03 -0.04 2.99 2.89 2wn5A1 LYS 196 HE3 0.02 0.01 -0.07 -0.04 2.99 2.91 2wn5A1 ILE 197 H 0.07 0.19 0.17 -0.55 8.25 8.13 2wn5A1 ILE 197 HA 0.07 0.32 1.11 -0.75 4.18 4.93 2wn5A1 ILE 197 HB 0.14 -0.01 -0.00 -0.04 1.89 1.98 2wn5A1 ILE 197 HG12 0.13 0.00 0.02 -0.04 1.49 1.61 2wn5A1 ILE 197 HG13 0.22 -0.03 -0.12 -0.04 1.21 1.24 2wn5A1 ILE 197 HG23 0.15 0.00 -0.19 -0.04 0.93 0.86 2wn5A1 ILE 197 HD13 0.26 -0.00 -0.07 -0.04 0.88 1.02 2wn5A1 VAL 198 H 0.14 0.55 0.30 -0.55 8.24 8.69 2wn5A1 VAL 198 HA 0.08 0.08 0.83 -0.75 4.13 4.37 2wn5A1 VAL 198 HB 0.06 0.04 -0.04 -0.04 2.12 2.14 2wn5A1 VAL 198 HG13 0.04 -0.03 -0.19 -0.04 0.97 0.74 2wn5A1 VAL 198 HG23 0.03 0.00 -0.15 -0.04 0.95 0.79 2wn5A1 ARG 199 H -0.05 0.12 0.18 -0.55 8.46 8.16 2wn5A1 ARG 199 HA 0.42 0.31 1.00 -0.75 4.34 5.32 2wn5A1 ARG 199 HB2 -0.59 -0.03 0.12 -0.04 1.90 1.36 2wn5A1 ARG 199 HB3 -0.12 -0.04 0.15 -0.04 1.80 1.75 2wn5A1 ARG 199 HG2 0.12 -0.05 -0.15 -0.04 1.67 1.55 2wn5A1 ARG 199 HG3 0.29 0.14 0.10 -0.04 1.67 2.15 2wn5A1 ARG 199 HD2 0.47 -0.04 0.01 -0.04 3.22 3.62 2wn5A1 ARG 199 HD3 0.02 0.00 -0.01 -0.04 3.22 3.20 2wn5A1 ILE 200 H 0.19 0.62 0.36 -0.55 8.25 8.87 2wn5A1 ILE 200 HA 0.03 0.15 0.73 -0.75 4.18 4.33 2wn5A1 ILE 200 HB 0.01 0.01 0.01 -0.04 1.89 1.89 2wn5A1 ILE 200 HG12 0.09 -0.01 -0.15 -0.04 1.49 1.37 2wn5A1 ILE 200 HG13 0.16 -0.03 -0.17 -0.04 1.21 1.13 2wn5A1 ILE 200 HG23 0.03 0.00 -0.22 -0.04 0.93 0.70 2wn5A1 ILE 200 HD13 -0.07 0.01 -0.17 -0.04 0.88 0.61 2wn5A1 VAL 201 H -0.02 0.20 0.11 -0.55 8.24 7.98 2wn5A1 VAL 201 HA -0.04 0.45 1.05 -0.75 4.13 4.84 2wn5A1 VAL 201 HB -0.11 -0.05 0.04 -0.04 2.12 1.96 2wn5A1 VAL 201 HG13 -0.18 -0.01 -0.36 -0.04 0.97 0.38 2wn5A1 VAL 201 HG23 -0.49 -0.00 -0.24 -0.04 0.95 0.18 2wn5A1 ILE 202 H 0.20 0.82 0.16 -0.55 8.25 8.88 2wn5A1 ILE 202 HA 0.02 0.09 0.85 -0.75 4.18 4.39 2wn5A1 ILE 202 HB 0.16 0.05 -0.03 -0.04 1.89 2.03 2wn5A1 ILE 202 HG12 -0.05 0.07 -0.16 -0.04 1.49 1.30 2wn5A1 ILE 202 HG13 0.03 -0.14 -0.62 -0.04 1.21 0.43 2wn5A1 ILE 202 HG23 -0.01 0.01 -0.22 -0.04 0.93 0.66 2wn5A1 ILE 202 HD13 -0.36 0.03 -0.20 -0.04 0.88 0.31 2wn5A1 ASP 203 H 0.02 0.16 0.09 -0.55 8.40 8.12 2wn5A1 ASP 203 HA 0.02 0.02 0.32 -0.75 4.63 4.24 2wn5A1 ASP 203 HB2 0.03 -0.08 -0.10 -0.04 2.71 2.52 2wn5A1 ASP 203 HB3 0.06 0.20 -0.01 -0.04 2.70 2.91 2wn5A1 GLY 204 H 0.01 0.04 -0.37 -0.55 8.43 7.56 2wn5A1 GLY 204 HA2 0.00 -0.04 0.21 -0.51 4.01 3.68 2wn5A1 GLY 204 HA3 0.02 0.10 0.44 -0.51 4.01 4.06 2wn5A1 LYS 205 H 0.06 0.47 -0.55 -0.55 8.42 7.85 2wn5A1 LYS 205 HA 0.03 0.09 0.76 -0.75 4.32 4.44 2wn5A1 LYS 205 HB2 0.12 0.10 0.09 -0.04 1.87 2.14 2wn5A1 LYS 205 HB3 -0.35 0.10 -0.03 -0.04 1.79 1.48 2wn5A1 LYS 205 HG2 -0.03 0.03 0.02 -0.04 1.46 1.43 2wn5A1 LYS 205 HG3 0.02 -0.01 -0.03 -0.04 1.46 1.40 2wn5A1 LYS 205 HD2 0.02 -0.07 -0.01 -0.04 1.69 1.59 2wn5A1 LYS 205 HD3 0.08 -0.02 -0.02 -0.04 1.68 1.68 2wn5A1 LYS 205 HE2 -0.17 -0.00 -0.03 -0.04 2.99 2.75 2wn5A1 LYS 205 HE3 -0.06 0.15 -0.02 -0.04 2.99 3.01 2wn5A1 HIS 206 H 0.08 0.70 0.34 -0.55 8.41 8.99 2wn5A1 HIS 206 HA 0.05 0.19 0.95 -0.75 4.63 5.07 2wn5A1 HIS 206 HB2 -0.03 0.01 0.16 -0.04 3.26 3.37 2wn5A1 HIS 206 HB3 0.07 -0.03 0.06 -0.04 3.20 3.27 2wn5A1 HIS 206 HD2 -0.02 0.20 -0.13 -0.04 6.97 6.98 2wn5A1 HIS 206 HE1 0.00 -0.03 -0.06 -0.04 7.75 7.62 2wn5A1 TYR 207 H 0.23 0.56 0.42 -0.55 8.29 8.95 2wn5A1 TYR 207 HA 0.04 0.20 0.84 -0.75 4.56 4.89 2wn5A1 TYR 207 HB2 0.06 -0.08 -0.09 -0.04 3.06 2.91 2wn5A1 TYR 207 HB3 0.06 0.03 -0.12 -0.04 2.98 2.91 2wn5A1 TYR 207 HD2 0.14 -0.03 -0.17 -0.04 7.15 7.05 2wn5A1 TYR 207 HE2 0.02 0.09 -0.08 -0.04 6.85 6.84 2wn5A1 ILE 208 H -0.04 0.74 0.36 -0.55 8.25 8.76 2wn5A1 ILE 208 HA 0.05 0.19 0.95 -0.75 4.18 4.61 2wn5A1 ILE 208 HB -0.49 -0.00 0.20 -0.04 1.89 1.55 2wn5A1 ILE 208 HG12 -1.62 -0.01 -0.04 -0.04 1.49 -0.23 2wn5A1 ILE 208 HG13 -0.65 -0.02 -0.06 -0.04 1.21 0.44 2wn5A1 ILE 208 HG23 -0.34 -0.01 -0.20 -0.04 0.93 0.34 2wn5A1 ILE 208 HD13 -1.01 -0.01 -0.06 -0.04 0.88 -0.24 2wn5A1 LYS 209 H 0.09 0.71 0.26 -0.55 8.42 8.93 2wn5A1 LYS 209 HA -0.04 0.33 0.97 -0.75 4.32 4.83 2wn5A1 LYS 209 HB2 0.02 -0.05 -0.03 -0.04 1.87 1.77 2wn5A1 LYS 209 HB3 0.05 -0.05 0.08 -0.04 1.79 1.83 2wn5A1 LYS 209 HG2 0.05 -0.02 -0.32 -0.04 1.46 1.13 2wn5A1 LYS 209 HG3 0.00 0.09 -0.13 -0.04 1.46 1.39 2wn5A1 LYS 209 HD2 0.03 0.01 -0.13 -0.04 1.69 1.55 2wn5A1 LYS 209 HD3 0.01 -0.03 -0.11 -0.04 1.68 1.51 2wn5A1 LYS 209 HE2 0.01 -0.02 -0.09 -0.04 2.99 2.84 2wn5A1 LYS 209 HE3 0.04 -0.03 -0.11 -0.04 2.99 2.85 2wn5A1 ALA 210 H -0.07 0.69 0.22 -0.55 8.40 8.69 2wn5A1 ALA 210 HA 0.00 0.17 0.98 -0.75 4.34 4.74 2wn5A1 ALA 210 HB3 -0.08 -0.01 -0.06 -0.04 1.41 1.22 2wn5A1 GLU 211 H 0.01 0.72 0.35 -0.55 8.60 9.13 2wn5A1 GLU 211 HA -0.02 0.24 0.79 -0.75 4.29 4.54 2wn5A1 GLU 211 HB2 0.01 -0.06 0.24 -0.04 2.09 2.25 2wn5A1 GLU 211 HB3 -0.00 0.01 0.06 -0.04 1.99 2.01 2wn5A1 GLU 211 HG2 0.11 0.02 -0.04 -0.04 2.34 2.39 2wn5A1 GLU 211 HG3 0.05 0.04 -0.07 -0.04 2.34 2.32 2wn5A1 ALA 212 H -0.08 0.61 0.39 -0.55 8.40 8.78 2wn5A1 ALA 212 HA -0.03 0.18 1.15 -0.75 4.34 4.88 2wn5A1 ALA 212 HB3 -0.03 -0.01 -0.16 -0.04 1.41 1.17 2wn5A1 SER 213 H -0.01 0.66 0.41 -0.55 8.46 8.98 2wn5A1 SER 213 HA -0.10 0.14 0.97 -0.75 4.49 4.74 2wn5A1 SER 213 HB2 -0.03 -0.00 0.07 -0.04 3.95 3.95 2wn5A1 SER 213 HB3 -0.05 0.10 -0.01 -0.04 3.93 3.92 2wn5A1 VAL 214 H -0.14 0.21 0.22 -0.55 8.24 7.98 2wn5A1 VAL 214 HA -0.10 0.26 0.86 -0.75 4.13 4.39 2wn5A1 VAL 214 HB -0.24 -0.02 0.19 -0.04 2.12 2.00 2wn5A1 VAL 214 HG13 -0.27 -0.01 -0.17 -0.04 0.97 0.48 2wn5A1 VAL 214 HG23 -0.61 0.02 -0.06 -0.04 0.95 0.27 2wn5A1 VAL 215 H 0.01 0.83 0.28 -0.55 8.24 8.81 2wn5A1 VAL 215 HA -0.02 0.11 0.84 -0.75 4.13 4.30 2wn5A1 VAL 215 HB 0.02 -0.05 -0.01 -0.04 2.12 2.03 2wn5A1 VAL 215 HG13 -0.01 0.02 -0.10 -0.04 0.97 0.84 2wn5A1 VAL 215 HG23 -0.01 0.00 -0.20 -0.04 0.95 0.71 2wn5A1 SER 216 H -0.02 0.13 0.09 -0.55 8.46 8.11 2wn5A1 SER 216 HA 0.02 0.10 0.60 -0.75 4.49 4.45 2wn5A1 SER 216 HB2 -0.03 -0.02 0.10 -0.04 3.95 3.96 2wn5A1 SER 216 HB3 -0.03 0.02 -0.01 -0.04 3.93 3.87 2wn5A1 SER 217 H -0.04 0.30 0.17 -0.55 8.46 8.35 2wn5A1 SER 217 HA -0.07 0.13 0.46 -0.75 4.49 4.25 2wn5A1 SER 217 HB2 -0.05 0.07 -0.31 -0.04 3.95 3.63 2wn5A1 SER 217 HB3 -0.07 -0.04 -0.15 -0.04 3.93 3.63 2wn5A1 LEU 218 H -0.17 0.64 0.18 -0.55 8.37 8.47 2wn5A1 LEU 218 HA -0.35 0.02 0.56 -0.75 4.35 3.82 2wn5A1 LEU 218 HB2 -0.29 0.07 0.16 -0.04 1.64 1.54 2wn5A1 LEU 218 HB3 -0.48 -0.03 0.20 -0.04 1.64 1.30 2wn5A1 LEU 218 HG -1.24 -0.05 -0.10 -0.04 1.64 0.21 2wn5A1 LEU 218 HD13 -0.34 -0.00 0.00 -0.04 0.93 0.55 2wn5A1 LEU 218 HD23 -0.76 0.00 -0.03 -0.04 0.89 0.06 2wn5A1 ASP 219 H -0.41 0.25 0.18 -0.55 8.40 7.87 2wn5A1 ASP 219 HA -0.19 0.16 0.86 -0.75 4.63 4.71 2wn5A1 ASP 219 HB2 -0.13 0.09 -0.20 -0.04 2.71 2.42 2wn5A1 ASP 219 HB3 -0.14 0.03 0.12 -0.04 2.70 2.66 2wn5A1 PHE 220 H 0.01 0.34 0.13 -0.55 8.34 8.27 2wn5A1 PHE 220 HA -0.10 0.12 0.62 -0.75 4.62 4.51 2wn5A1 PHE 220 HB2 -0.09 0.34 0.10 -0.04 3.15 3.46 2wn5A1 PHE 220 HB3 -0.10 -0.03 0.02 -0.04 3.06 2.91 2wn5A1 PHE 220 HD2 -0.15 0.06 -0.01 -0.04 7.28 7.13 2wn5A1 PHE 220 HE2 -0.50 0.03 -0.10 -0.04 7.38 6.77 2wn5A1 PHE 220 HZ -0.41 0.02 -0.04 -0.04 7.32 6.85 2wn5A1 LYS 221 H 0.03 0.11 -0.18 -0.55 8.42 7.83 2wn5A1 LYS 221 HA -0.35 0.09 0.23 -0.75 4.32 3.54 2wn5A1 LYS 221 HB2 -0.14 0.06 -0.05 -0.04 1.87 1.70 2wn5A1 LYS 221 HB3 -0.30 -0.04 0.13 -0.04 1.79 1.54 2wn5A1 LYS 221 HG2 -0.12 0.03 -0.08 -0.04 1.46 1.26 2wn5A1 LYS 221 HG3 -0.11 0.10 -0.26 -0.04 1.46 1.15 2wn5A1 LYS 221 HD2 -0.14 0.01 -0.04 -0.04 1.69 1.48 2wn5A1 LYS 221 HD3 -0.24 -0.06 -0.03 -0.04 1.68 1.31 2wn5A1 LYS 221 HE2 -0.11 0.01 -0.07 -0.04 2.99 2.78 2wn5A1 LYS 221 HE3 -0.11 0.04 -0.03 -0.04 2.99 2.85 2wn5A1 ASP 222 H -0.20 0.16 0.21 -0.55 8.40 8.01 2wn5A1 ASP 222 HA -0.22 0.02 0.50 -0.75 4.63 4.18 2wn5A1 ASP 222 HB2 -0.13 -0.04 0.13 -0.04 2.71 2.62 2wn5A1 ASP 222 HB3 -0.23 0.08 0.12 -0.04 2.70 2.63 2wn5A1 ASP 223 H -0.05 0.59 -0.15 -0.55 8.40 8.24 2wn5A1 ASP 223 HA -0.05 0.03 0.56 -0.75 4.63 4.41 2wn5A1 ASP 223 HB2 0.01 0.06 0.14 -0.04 2.71 2.88 2wn5A1 ASP 223 HB3 0.08 0.10 0.26 -0.04 2.70 3.09 2wn5A1 VAL 224 H -0.17 0.47 0.20 -0.55 8.24 8.19 2wn5A1 VAL 224 HA -0.33 0.13 0.25 -0.75 4.13 3.42 2wn5A1 VAL 224 HB -1.62 -0.00 -0.00 -0.04 2.12 0.45 2wn5A1 VAL 224 HG13 -0.31 0.05 -0.03 -0.04 0.97 0.63 2wn5A1 VAL 224 HG23 -0.25 0.03 0.06 -0.04 0.95 0.75 2wn5A1 SER 225 H -0.12 0.11 -0.13 -0.55 8.46 7.78 2wn5A1 SER 225 HA -0.00 0.10 0.44 -0.75 4.49 4.28 2wn5A1 SER 225 HB2 0.00 0.01 0.09 -0.04 3.95 4.01 2wn5A1 SER 225 HB3 -0.01 0.01 0.04 -0.04 3.93 3.93 2wn5A1 LYS 226 H -0.05 0.14 -0.19 -0.55 8.42 7.76 2wn5A1 LYS 226 HA -0.02 0.07 0.49 -0.75 4.32 4.11 2wn5A1 LYS 226 HB2 0.10 0.12 0.11 -0.04 1.87 2.16 2wn5A1 LYS 226 HB3 0.17 0.05 0.02 -0.04 1.79 1.98 2wn5A1 LYS 226 HG2 0.03 -0.11 0.02 -0.04 1.46 1.36 2wn5A1 LYS 226 HG3 0.08 0.06 0.03 -0.04 1.46 1.58 2wn5A1 LYS 226 HD2 0.08 0.06 0.01 -0.04 1.69 1.80 2wn5A1 LYS 226 HD3 0.06 -0.02 0.03 -0.04 1.68 1.71 2wn5A1 LYS 226 HE2 0.03 -0.06 -0.04 -0.04 2.99 2.88 2wn5A1 LYS 226 HE3 0.04 0.02 -0.01 -0.04 2.99 3.00 2wn5A1 GLY 227 H -0.36 0.39 -0.19 -0.55 8.43 7.71 2wn5A1 GLY 227 HA2 -2.10 0.07 0.44 -0.51 4.01 1.91 2wn5A1 GLY 227 HA3 -0.72 0.10 0.24 -0.51 4.01 3.12 2wn5A1 ASP 228 H -0.15 0.61 -0.15 -0.55 8.40 8.17 2wn5A1 ASP 228 HA 0.06 -0.01 0.42 -0.75 4.63 4.34 2wn5A1 ASP 228 HB2 0.32 0.05 0.12 -0.04 2.71 3.16 2wn5A1 ASP 228 HB3 0.10 0.13 0.15 -0.04 2.70 3.04 2wn5A1 SER 229 H -0.05 0.47 -0.15 -0.55 8.46 8.19 2wn5A1 SER 229 HA -0.00 0.01 0.45 -0.75 4.49 4.19 2wn5A1 SER 229 HB2 0.01 0.13 0.19 -0.04 3.95 4.23 2wn5A1 SER 229 HB3 0.02 -0.02 0.04 -0.04 3.93 3.93 2wn5A1 TRP 230 H 0.00 0.50 -0.18 -0.55 7.97 7.75 2wn5A1 TRP 230 HA -0.05 0.02 0.47 -0.75 4.62 4.30 2wn5A1 TRP 230 HB2 0.02 -0.00 0.11 -0.04 3.23 3.32 2wn5A1 TRP 230 HB3 -0.39 0.14 0.16 -0.04 3.23 3.11 2wn5A1 TRP 230 HD1 0.13 -0.02 -0.00 -0.04 7.22 7.28 2wn5A1 TRP 230 HE1 0.07 0.01 -0.05 -0.04 10.20 10.19 2wn5A1 TRP 230 HE3 -0.22 0.06 -0.17 -0.04 7.59 7.22 2wn5A1 TRP 230 HZ2 0.09 -0.00 -0.05 -0.04 7.44 7.43 2wn5A1 TRP 230 HZ3 0.04 -0.04 -0.10 -0.04 7.13 6.99 2wn5A1 TRP 230 HH2 0.16 0.04 -0.06 -0.04 7.19 7.28 2wn5A1 GLY 231 H -0.19 0.56 -0.11 -0.55 8.43 8.15 2wn5A1 GLY 231 HA2 -0.51 0.04 0.31 -0.51 4.01 3.33 2wn5A1 GLY 231 HA3 -1.58 0.00 0.27 -0.51 4.01 2.19 2wn5A1 LYS 232 H -0.19 0.66 -0.11 -0.55 8.42 8.22 2wn5A1 LYS 232 HA 0.06 0.00 0.47 -0.75 4.32 4.10 2wn5A1 LYS 232 HB2 -0.01 0.13 0.16 -0.04 1.87 2.11 2wn5A1 LYS 232 HB3 0.02 -0.03 0.01 -0.04 1.79 1.74 2wn5A1 LYS 232 HG2 0.12 0.03 0.07 -0.04 1.46 1.63 2wn5A1 LYS 232 HG3 0.21 -0.04 -0.04 -0.04 1.46 1.55 2wn5A1 LYS 232 HD2 0.08 -0.00 -0.08 -0.04 1.69 1.65 2wn5A1 LYS 232 HD3 0.06 -0.03 -0.01 -0.04 1.68 1.66 2wn5A1 LYS 232 HE2 0.09 0.05 0.01 -0.04 2.99 3.09 2wn5A1 LYS 232 HE3 0.17 0.03 -0.04 -0.04 2.99 3.12 2wn5A1 ALA 233 H -0.15 0.59 -0.08 -0.55 8.40 8.22 2wn5A1 ALA 233 HA -0.11 -0.03 0.49 -0.75 4.34 3.94 2wn5A1 ALA 233 HB3 -0.17 0.02 0.15 -0.04 1.41 1.37 2wn5A1 ASN 234 H -0.51 0.48 -0.27 -0.55 8.53 7.68 2wn5A1 ASN 234 HA -0.44 0.11 0.58 -0.75 4.76 4.26 2wn5A1 ASN 234 HB2 -1.18 0.07 0.10 -0.04 2.88 1.82 2wn5A1 ASN 234 HB3 -0.90 0.01 0.08 -0.04 2.79 1.94 2wn5A1 ASN 234 HD21 -0.74 -0.09 -0.02 -0.04 7.03 6.15 2wn5A1 ASN 234 HD22 -1.61 0.45 0.11 -0.04 7.74 6.64 2wn5A1 TYR 235 H -0.11 0.25 -0.13 -0.55 8.29 7.76 2wn5A1 TYR 235 HA 0.01 0.16 0.93 -0.75 4.56 4.91 2wn5A1 TYR 235 HB2 -0.01 0.16 0.13 -0.04 3.06 3.30 2wn5A1 TYR 235 HB3 -0.04 -0.08 0.18 -0.04 2.98 3.00 2wn5A1 TYR 235 HD2 -0.49 0.00 0.03 -0.04 7.15 6.65 2wn5A1 TYR 235 HE2 -0.30 0.11 0.05 -0.04 6.85 6.68 2wn5A1 ASN 236 H 0.01 0.62 0.14 -0.55 8.53 8.76 2wn5A1 ASN 236 HA 0.12 0.09 0.57 -0.75 4.76 4.79 2wn5A1 ASN 236 HB2 0.01 0.15 0.18 -0.04 2.88 3.17 2wn5A1 ASN 236 HB3 0.03 -0.07 0.03 -0.04 2.79 2.74 2wn5A1 ASN 236 HD21 0.02 -0.08 -0.01 -0.04 7.03 6.92 2wn5A1 ASN 236 HD22 0.00 0.00 -0.03 -0.04 7.74 7.67 2wn5A1 ASP 237 H 0.05 0.19 -0.32 -0.55 8.40 7.77 2wn5A1 ASP 237 HA 0.05 0.14 0.71 -0.75 4.63 4.78 2wn5A1 ASP 237 HB2 0.01 -0.01 0.11 -0.04 2.71 2.78 2wn5A1 ASP 237 HB3 0.01 -0.00 -0.01 -0.04 2.70 2.65 2wn5A1 TRP 238 H 0.32 0.46 -0.45 -0.55 7.97 7.76 2wn5A1 TRP 238 HA 0.03 0.13 0.36 -0.75 4.62 4.39 2wn5A1 TRP 238 HB2 0.21 0.04 0.15 -0.04 3.23 3.60 2wn5A1 TRP 238 HB3 0.16 0.12 0.14 -0.04 3.23 3.61 2wn5A1 TRP 238 HD1 0.14 0.04 0.03 -0.04 7.22 7.38 2wn5A1 TRP 238 HE1 0.10 0.25 0.05 -0.04 10.20 10.56 2wn5A1 TRP 238 HE3 0.06 0.03 -0.10 -0.04 7.59 7.54 2wn5A1 TRP 238 HZ2 -0.01 -0.00 -0.39 -0.04 7.44 7.00 2wn5A1 TRP 238 HZ3 -0.01 -0.02 -0.09 -0.04 7.13 6.97 2wn5A1 TRP 238 HH2 -0.06 -0.05 -0.12 -0.04 7.19 6.92 2wn5A1 SER 239 H 0.19 0.23 -0.09 -0.55 8.46 8.25 2wn5A1 SER 239 HA -0.43 0.04 0.38 -0.75 4.49 3.72 2wn5A1 SER 239 HB2 0.03 0.02 0.08 -0.04 3.95 4.04 2wn5A1 SER 239 HB3 0.03 0.06 0.05 -0.04 3.93 4.03 2wn5A1 ASN 240 H -0.03 0.15 -0.50 -0.55 8.53 7.60 2wn5A1 ASN 240 HA -0.07 0.08 0.48 -0.75 4.76 4.49 2wn5A1 ASN 240 HB2 -0.01 0.12 0.02 -0.04 2.88 2.97 2wn5A1 ASN 240 HB3 -0.03 -0.01 0.07 -0.04 2.79 2.78 2wn5A1 ASN 240 HD21 -0.00 -0.03 0.00 -0.04 7.03 6.96 2wn5A1 ASN 240 HD22 -0.00 0.02 0.01 -0.04 7.74 7.73 2wn5A1 LYS 241 H -0.14 0.37 -0.40 -0.55 8.42 7.70 2wn5A1 LYS 241 HA -0.06 0.08 0.71 -0.75 4.32 4.30 2wn5A1 LYS 241 HB2 -0.09 0.16 0.11 -0.04 1.87 2.01 2wn5A1 LYS 241 HB3 -0.03 -0.04 0.11 -0.04 1.79 1.79 2wn5A1 LYS 241 HG2 -0.00 -0.06 0.01 -0.04 1.46 1.36 2wn5A1 LYS 241 HG3 0.00 0.14 0.00 -0.04 1.46 1.56 2wn5A1 LYS 241 HD2 0.14 -0.01 -0.04 -0.04 1.69 1.73 2wn5A1 LYS 241 HD3 0.06 0.02 -0.02 -0.04 1.68 1.70 2wn5A1 LYS 241 HE2 0.01 -0.05 -0.03 -0.04 2.99 2.88 2wn5A1 LYS 241 HE3 0.02 0.00 -0.11 -0.04 2.99 2.86 2wn5A1 LEU 242 H -0.23 0.25 -0.35 -0.55 8.37 7.49 2wn5A1 LEU 242 HA -0.18 0.10 0.70 -0.75 4.35 4.22 2wn5A1 LEU 242 HB2 -0.29 0.12 0.06 -0.04 1.64 1.49 2wn5A1 LEU 242 HB3 -0.26 -0.19 0.06 -0.04 1.64 1.21 2wn5A1 LEU 242 HG -0.85 0.21 0.01 -0.04 1.64 0.98 2wn5A1 LEU 242 HD13 -0.91 -0.03 -0.11 -0.04 0.93 -0.17 2wn5A1 LEU 242 HD23 -0.60 0.01 -0.07 -0.04 0.89 0.18 2wn5A1 THR 243 H -0.09 0.07 0.16 -0.55 8.28 7.86 2wn5A1 THR 243 HA -0.06 0.25 0.64 -0.75 4.39 4.47 2wn5A1 THR 243 HB -0.03 0.03 0.17 -0.04 4.32 4.44 2wn5A1 THR 243 HG23 -0.03 0.05 0.06 -0.04 1.22 1.26 2wn5A1 PRO 244 HA -0.05 0.13 0.46 -0.51 4.44 4.47 2wn5A1 PRO 244 HB2 -0.03 -0.03 0.08 -0.04 2.28 2.26 2wn5A1 PRO 244 HB3 -0.03 0.06 0.08 -0.04 2.02 2.09 2wn5A1 PRO 244 HG2 -0.02 0.05 0.10 -0.04 2.03 2.11 2wn5A1 PRO 244 HG3 -0.03 0.11 0.10 -0.04 2.03 2.16 2wn5A1 PRO 244 HD2 -0.03 0.06 0.24 -0.04 3.68 3.91 2wn5A1 PRO 244 HD3 -0.04 0.27 0.21 -0.04 3.65 4.05 2wn5A1 ASN 245 H -0.03 0.15 -0.13 -0.55 8.53 7.97 2wn5A1 ASN 245 HA -0.02 0.08 0.43 -0.75 4.76 4.50 2wn5A1 ASN 245 HB2 -0.02 -0.01 0.07 -0.04 2.88 2.88 2wn5A1 ASN 245 HB3 -0.01 0.05 -0.05 -0.04 2.79 2.73 2wn5A1 ASN 245 HD21 -0.01 0.03 0.01 -0.04 7.03 7.01 2wn5A1 ASN 245 HD22 -0.01 0.02 0.02 -0.04 7.74 7.73 2wn5A1 GLU 246 H -0.05 0.07 -0.24 -0.55 8.60 7.83 2wn5A1 GLU 246 HA -0.05 0.04 0.36 -0.75 4.29 3.89 2wn5A1 GLU 246 HB2 -0.11 0.00 0.18 -0.04 2.09 2.12 2wn5A1 GLU 246 HB3 -0.12 0.09 0.02 -0.04 1.99 1.94 2wn5A1 GLU 246 HG2 -0.02 0.20 0.11 -0.04 2.34 2.59 2wn5A1 GLU 246 HG3 -0.03 -0.12 0.06 -0.04 2.34 2.21 2wn5A1 LEU 247 H -0.11 0.66 -0.13 -0.55 8.37 8.25 2wn5A1 LEU 247 HA -0.16 0.03 0.42 -0.75 4.35 3.89 2wn5A1 LEU 247 HB2 -0.15 0.12 0.04 -0.04 1.64 1.61 2wn5A1 LEU 247 HB3 -0.08 0.05 0.09 -0.04 1.64 1.67 2wn5A1 LEU 247 HG -0.05 -0.05 -0.17 -0.04 1.64 1.32 2wn5A1 LEU 247 HD13 -0.11 -0.01 0.05 -0.04 0.93 0.82 2wn5A1 LEU 247 HD23 -0.07 0.03 -0.04 -0.04 0.89 0.77 2wn5A1 ALA 248 H -0.04 0.59 -0.14 -0.55 8.40 8.26 2wn5A1 ALA 248 HA -0.01 0.01 0.44 -0.75 4.34 4.03 2wn5A1 ALA 248 HB3 -0.02 0.02 0.10 -0.04 1.41 1.48 2wn5A1 ASP 249 H -0.02 0.51 -0.23 -0.55 8.40 8.11 2wn5A1 ASP 249 HA 0.02 -0.00 0.51 -0.75 4.63 4.39 2wn5A1 ASP 249 HB2 -0.02 0.12 0.12 -0.04 2.71 2.89 2wn5A1 ASP 249 HB3 -0.00 -0.02 0.09 -0.04 2.70 2.73 2wn5A1 VAL 250 H -0.03 0.59 -0.09 -0.55 8.24 8.17 2wn5A1 VAL 250 HA 0.01 0.01 0.56 -0.75 4.13 3.95 2wn5A1 VAL 250 HB -0.06 0.09 0.16 -0.04 2.12 2.27 2wn5A1 VAL 250 HG13 0.17 -0.01 -0.15 -0.04 0.97 0.94 2wn5A1 VAL 250 HG23 -0.02 0.02 -0.01 -0.04 0.95 0.90 2wn5A1 ASN 251 H 0.02 0.70 -0.07 -0.55 8.53 8.63 2wn5A1 ASN 251 HA 0.09 0.05 0.45 -0.75 4.76 4.60 2wn5A1 ASN 251 HB2 0.02 0.10 0.18 -0.04 2.88 3.14 2wn5A1 ASN 251 HB3 0.04 -0.05 -0.01 -0.04 2.79 2.73 2wn5A1 ASN 251 HD21 -0.01 -0.02 -0.04 -0.04 7.03 6.92 2wn5A1 ASN 251 HD22 -0.00 -0.05 -0.06 -0.04 7.74 7.59 2wn5A1 ASP 252 H 0.04 0.61 -0.11 -0.55 8.40 8.40 2wn5A1 ASP 252 HA 0.04 0.01 0.42 -0.75 4.63 4.34 2wn5A1 ASP 252 HB2 0.04 0.10 0.19 -0.04 2.71 3.00 2wn5A1 ASP 252 HB3 0.03 -0.09 -0.03 -0.04 2.70 2.56 2wn5A1 TYR 253 H 0.17 0.56 -0.27 -0.55 8.29 8.20 2wn5A1 TYR 253 HA 0.04 -0.16 0.32 -0.75 4.56 4.01 2wn5A1 TYR 253 HB2 -0.06 0.10 0.11 -0.04 3.06 3.17 2wn5A1 TYR 253 HB3 -0.02 0.21 0.15 -0.04 2.98 3.29 2wn5A1 TYR 253 HD2 -0.04 0.05 -0.18 -0.04 7.15 6.94 2wn5A1 TYR 253 HE2 -0.00 0.00 -0.07 -0.04 6.85 6.74 2wn5A1 MET 254 H 0.22 0.57 -0.17 -0.55 8.47 8.54 2wn5A1 MET 254 HA 0.14 0.00 0.32 -0.75 4.52 4.24 2wn5A1 MET 254 HB2 0.19 0.11 0.10 -0.04 2.15 2.52 2wn5A1 MET 254 HB3 0.22 -0.02 -0.02 -0.04 2.03 2.16 2wn5A1 MET 254 HG2 0.18 -0.08 -0.03 -0.04 2.63 2.66 2wn5A1 MET 254 HG3 0.23 0.16 0.06 -0.04 2.56 2.96 2wn5A1 MET 254 HE3 0.15 0.02 -0.17 -0.04 2.10 2.07 2wn5A1 ARG 255 H 0.09 0.42 -0.23 -0.55 8.46 8.20 2wn5A1 ARG 255 HA 0.12 0.09 0.51 -0.75 4.34 4.31 2wn5A1 ARG 255 HB2 0.04 0.04 0.11 -0.04 1.90 2.06 2wn5A1 ARG 255 HB3 0.05 -0.06 0.09 -0.04 1.80 1.83 2wn5A1 ARG 255 HG2 0.18 -0.01 0.01 -0.04 1.67 1.81 2wn5A1 ARG 255 HG3 0.11 0.23 0.02 -0.04 1.67 1.99 2wn5A1 ARG 255 HD2 0.04 -0.04 -0.03 -0.04 3.22 3.15 2wn5A1 ARG 255 HD3 0.06 -0.03 0.01 -0.04 3.22 3.21 2wn5A1 GLY 256 H -0.06 0.21 -0.32 -0.55 8.43 7.72 2wn5A1 GLY 256 HA2 -0.40 0.01 0.28 -0.51 4.01 3.39 2wn5A1 GLY 256 HA3 -0.19 0.18 0.78 -0.51 4.01 4.26 2wn5A1 GLY 257 H -0.10 0.49 0.22 -0.55 8.43 8.48 2wn5A1 GLY 257 HA2 -0.12 0.01 0.43 -0.51 4.01 3.82 2wn5A1 GLY 257 HA3 -0.06 0.10 0.21 -0.51 4.01 3.75 2wn5A1 TYR 258 H -0.40 0.36 -0.26 -0.55 8.29 7.44 2wn5A1 TYR 258 HA -0.44 0.01 0.39 -0.75 4.56 3.76 2wn5A1 TYR 258 HB2 -0.69 -0.02 0.03 -0.04 3.06 2.34 2wn5A1 TYR 258 HB3 -2.01 0.10 0.04 -0.04 2.98 1.07 2wn5A1 TYR 258 HD2 -0.26 0.12 -0.14 -0.04 7.15 6.83 2wn5A1 TYR 258 HE2 -0.12 0.05 -0.04 -0.04 6.85 6.69 2wn5A1 THR 259 H -0.69 0.35 -0.23 -0.55 8.28 7.16 2wn5A1 THR 259 HA -0.05 0.05 0.43 -0.75 4.39 4.06 2wn5A1 THR 259 HB -0.24 0.06 0.15 -0.04 4.32 4.24 2wn5A1 THR 259 HG23 -0.07 -0.00 -0.07 -0.04 1.22 1.04 2wn5A1 ALA 260 H -0.11 0.21 -0.12 -0.55 8.40 7.84 2wn5A1 ALA 260 HA 0.01 0.05 0.36 -0.75 4.34 4.00 2wn5A1 ALA 260 HB3 -0.04 0.03 0.09 -0.04 1.41 1.45 2wn5A1 ILE 261 H 0.04 0.47 -0.10 -0.55 8.25 8.11 2wn5A1 ILE 261 HA 0.16 -0.00 0.38 -0.75 4.18 3.96 2wn5A1 ILE 261 HB 0.23 0.05 0.13 -0.04 1.89 2.26 2wn5A1 ILE 261 HG12 0.13 -0.01 0.02 -0.04 1.49 1.58 2wn5A1 ILE 261 HG13 0.07 -0.03 0.03 -0.04 1.21 1.24 2wn5A1 ILE 261 HG23 0.43 -0.00 -0.13 -0.04 0.93 1.19 2wn5A1 ILE 261 HD13 0.18 -0.01 -0.12 -0.04 0.88 0.89 2wn5A1 ASN 262 H 0.19 0.77 -0.03 -0.55 8.53 8.90 2wn5A1 ASN 262 HA 0.23 -0.02 0.46 -0.75 4.76 4.68 2wn5A1 ASN 262 HB2 0.21 0.16 0.18 -0.04 2.88 3.39 2wn5A1 ASN 262 HB3 0.19 -0.02 0.07 -0.04 2.79 2.99 2wn5A1 ASN 262 HD21 0.42 -0.02 -0.01 -0.04 7.03 7.38 2wn5A1 ASN 262 HD22 0.27 -0.01 -0.02 -0.04 7.74 7.94 2wn5A1 ASN 263 H 0.11 0.61 -0.02 -0.55 8.53 8.69 2wn5A1 ASN 263 HA 0.08 0.02 0.53 -0.75 4.76 4.64 2wn5A1 ASN 263 HB2 0.07 0.12 0.14 -0.04 2.88 3.18 2wn5A1 ASN 263 HB3 0.06 -0.04 0.01 -0.04 2.79 2.78 2wn5A1 ASN 263 HD21 0.02 -0.06 0.00 -0.04 7.03 6.95 2wn5A1 ASN 263 HD22 0.02 -0.02 -0.06 -0.04 7.74 7.64 2wn5A1 TYR 264 H 0.22 0.49 -0.23 -0.55 8.29 8.22 2wn5A1 TYR 264 HA 0.03 0.02 0.43 -0.75 4.56 4.28 2wn5A1 TYR 264 HB2 0.03 0.04 0.12 -0.04 3.06 3.21 2wn5A1 TYR 264 HB3 0.06 0.20 0.20 -0.04 2.98 3.40 2wn5A1 TYR 264 HD2 0.04 0.08 -0.05 -0.04 7.15 7.17 2wn5A1 TYR 264 HE2 0.03 0.18 -0.19 -0.04 6.85 6.82 2wn5A1 LEU 265 H 0.17 0.51 -0.08 -0.55 8.37 8.43 2wn5A1 LEU 265 HA -0.12 -0.01 0.44 -0.75 4.35 3.90 2wn5A1 LEU 265 HB2 0.11 0.01 0.11 -0.04 1.64 1.83 2wn5A1 LEU 265 HB3 0.04 0.10 -0.28 -0.04 1.64 1.46 2wn5A1 LEU 265 HG 0.20 0.00 0.05 -0.04 1.64 1.85 2wn5A1 LEU 265 HD13 0.03 0.01 0.02 -0.04 0.93 0.95 2wn5A1 LEU 265 HD23 0.04 0.01 0.01 -0.04 0.89 0.91 2wn5A1 ILE 266 H 0.05 0.59 -0.11 -0.55 8.25 8.23 2wn5A1 ILE 266 HA -0.00 0.03 0.40 -0.75 4.18 3.86 2wn5A1 ILE 266 HB 0.04 0.05 0.20 -0.04 1.89 2.13 2wn5A1 ILE 266 HG12 0.01 0.01 0.07 -0.04 1.49 1.54 2wn5A1 ILE 266 HG13 0.06 -0.04 0.08 -0.04 1.21 1.27 2wn5A1 ILE 266 HG23 0.00 -0.01 -0.08 -0.04 0.93 0.80 2wn5A1 ILE 266 HD13 0.07 -0.02 -0.07 -0.04 0.88 0.82 2wn5A1 SER 267 H -0.01 0.51 -0.19 -0.55 8.46 8.23 2wn5A1 SER 267 HA -0.01 0.09 0.45 -0.75 4.49 4.26 2wn5A1 SER 267 HB2 -0.00 -0.05 0.13 -0.04 3.95 3.98 2wn5A1 SER 267 HB3 0.01 -0.02 0.10 -0.04 3.93 3.98 2wn5A1 ASN 268 H -0.08 0.39 -0.75 -0.55 8.53 7.55 2wn5A1 ASN 268 HA -0.11 0.10 0.30 -0.75 4.76 4.30 2wn5A1 ASN 268 HB2 -0.05 0.07 -0.11 -0.04 2.88 2.76 2wn5A1 ASN 268 HB3 -0.05 0.07 0.25 -0.04 2.79 3.02 2wn5A1 ASN 268 HD21 -0.03 -0.01 0.04 -0.04 7.03 6.99 2wn5A1 ASN 268 HD22 -0.03 0.03 0.05 -0.04 7.74 7.75 2wn5A1 GLY 269 H -0.30 0.69 -0.05 -0.55 8.43 8.22 2wn5A1 GLY 269 HA2 -0.13 -0.01 0.18 -0.51 4.01 3.54 2wn5A1 GLY 269 HA3 -0.70 0.06 0.20 -0.51 4.01 3.07 2wn5A1 PRO 270 HA 0.05 -0.06 0.36 -0.51 4.44 4.28 2wn5A1 PRO 270 HB2 -0.06 0.07 -0.09 -0.04 2.28 2.17 2wn5A1 PRO 270 HB3 0.02 -0.00 0.02 -0.04 2.02 2.01 2wn5A1 PRO 270 HG2 -0.11 0.10 -0.03 -0.04 2.03 1.95 2wn5A1 PRO 270 HG3 -0.10 -0.03 -0.05 -0.04 2.03 1.80 2wn5A1 PRO 270 HD2 -0.33 0.10 -0.23 -0.04 3.68 3.18 2wn5A1 PRO 270 HD3 -1.16 0.10 -0.14 -0.04 3.65 2.41 2wn5A1 VAL 271 H -0.09 0.38 -0.34 -0.55 8.24 7.64 2wn5A1 VAL 271 HA -0.01 0.10 0.75 -0.75 4.13 4.22 2wn5A1 VAL 271 HB -0.04 0.13 0.17 -0.04 2.12 2.35 2wn5A1 VAL 271 HG13 -0.01 -0.01 -0.09 -0.04 0.97 0.82 2wn5A1 VAL 271 HG23 -0.02 -0.02 -0.04 -0.04 0.95 0.83 2wn5A1 ASN 272 H -0.04 0.44 0.08 -0.55 8.53 8.46 2wn5A1 ASN 272 HA 0.00 0.16 0.57 -0.75 4.76 4.73 2wn5A1 ASN 272 HB2 -0.00 -0.05 0.10 -0.04 2.88 2.89 2wn5A1 ASN 272 HB3 -0.01 -0.04 0.02 -0.04 2.79 2.72 2wn5A1 ASN 272 HD21 -0.03 0.49 0.12 -0.04 7.03 7.57 2wn5A1 ASN 272 HD22 -0.02 -0.12 0.04 -0.04 7.74 7.60 2wn5A1 ASN 273 H 0.01 0.45 -0.17 -0.55 8.53 8.28 2wn5A1 ASN 273 HA 0.05 0.09 0.49 -0.75 4.76 4.63 2wn5A1 ASN 273 HB2 0.04 0.06 -0.19 -0.04 2.88 2.75 2wn5A1 ASN 273 HB3 0.09 -0.08 0.08 -0.04 2.79 2.84 2wn5A1 ASN 273 HD21 0.05 -0.05 0.00 -0.04 7.03 6.99 2wn5A1 ASN 273 HD22 0.06 -0.02 -0.01 -0.04 7.74 7.74 2wn5A1 PRO 274 HA 0.24 -0.02 0.12 -0.51 4.44 4.27 2wn5A1 PRO 274 HB2 0.07 -0.07 0.01 -0.04 2.28 2.24 2wn5A1 PRO 274 HB3 0.09 0.01 0.06 -0.04 2.02 2.13 2wn5A1 PRO 274 HG2 0.04 -0.03 0.02 -0.04 2.03 2.02 2wn5A1 PRO 274 HG3 0.04 0.32 -0.06 -0.04 2.03 2.30 2wn5A1 PRO 274 HD2 0.05 0.03 0.01 -0.04 3.68 3.72 2wn5A1 PRO 274 HD3 0.04 0.18 -0.26 -0.04 3.65 3.57 2wn5A1 ASN 275 H 0.31 0.15 -0.01 -0.55 8.53 8.43 2wn5A1 ASN 275 HA -0.01 0.21 0.75 -0.75 4.76 4.96 2wn5A1 ASN 275 HB2 -0.11 0.25 -0.00 -0.04 2.88 2.97 2wn5A1 ASN 275 HB3 -0.67 -0.06 0.18 -0.04 2.79 2.20 2wn5A1 ASN 275 HD21 -0.11 -0.01 0.02 -0.04 7.03 6.88 2wn5A1 ASN 275 HD22 -0.16 0.12 0.02 -0.04 7.74 7.67 2wn5A1 PRO 276 HA 0.03 0.09 0.42 -0.51 4.44 4.48 2wn5A1 PRO 276 HB2 0.01 0.04 -0.02 -0.04 2.28 2.27 2wn5A1 PRO 276 HB3 0.03 0.09 0.07 -0.04 2.02 2.17 2wn5A1 PRO 276 HG2 0.00 0.00 0.05 -0.04 2.03 2.05 2wn5A1 PRO 276 HG3 0.02 0.11 0.03 -0.04 2.03 2.15 2wn5A1 PRO 276 HD2 0.00 0.16 0.15 -0.04 3.68 3.95 2wn5A1 PRO 276 HD3 0.03 0.22 -0.12 -0.04 3.65 3.75 2wn5A1 GLU 277 H -0.04 0.15 -0.22 -0.55 8.60 7.95 2wn5A1 GLU 277 HA -0.02 0.11 0.53 -0.75 4.29 4.16 2wn5A1 GLU 277 HB2 -0.03 0.05 0.07 -0.04 2.09 2.14 2wn5A1 GLU 277 HB3 -0.06 -0.03 0.07 -0.04 1.99 1.94 2wn5A1 GLU 277 HG2 -0.04 -0.02 -0.26 -0.04 2.34 1.98 2wn5A1 GLU 277 HG3 -0.03 0.03 -0.02 -0.04 2.34 2.28 2wn5A1 LEU 278 H -0.16 0.12 -0.14 -0.55 8.37 7.65 2wn5A1 LEU 278 HA -0.08 0.04 0.46 -0.75 4.35 4.02 2wn5A1 LEU 278 HB2 -0.54 0.02 0.15 -0.04 1.64 1.22 2wn5A1 LEU 278 HB3 -0.57 0.06 -0.04 -0.04 1.64 1.05 2wn5A1 LEU 278 HG -0.17 -0.01 -0.05 -0.04 1.64 1.38 2wn5A1 LEU 278 HD13 -0.10 -0.01 -0.05 -0.04 0.93 0.73 2wn5A1 LEU 278 HD23 -0.49 0.01 -0.04 -0.04 0.89 0.33 2wn5A1 ASP 279 H -0.03 0.52 -0.09 -0.55 8.40 8.25 2wn5A1 ASP 279 HA 0.13 0.05 0.36 -0.75 4.63 4.42 2wn5A1 ASP 279 HB2 0.06 0.05 0.12 -0.04 2.71 2.90 2wn5A1 ASP 279 HB3 0.08 0.02 -0.02 -0.04 2.70 2.74 2wn5A1 SER 280 H 0.01 0.43 -0.28 -0.55 8.46 8.08 2wn5A1 SER 280 HA 0.03 0.04 0.49 -0.75 4.49 4.30 2wn5A1 SER 280 HB2 0.00 0.11 0.17 -0.04 3.95 4.19 2wn5A1 SER 280 HB3 0.01 -0.06 0.02 -0.04 3.93 3.86 2wn5A1 LYS 281 H 0.01 0.44 -0.10 -0.55 8.42 8.22 2wn5A1 LYS 281 HA 0.01 -0.00 0.49 -0.75 4.32 4.07 2wn5A1 LYS 281 HB2 0.03 0.15 0.18 -0.04 1.87 2.18 2wn5A1 LYS 281 HB3 0.04 -0.02 0.01 -0.04 1.79 1.78 2wn5A1 LYS 281 HG2 0.01 -0.04 0.05 -0.04 1.46 1.43 2wn5A1 LYS 281 HG3 -0.00 0.17 0.08 -0.04 1.46 1.66 2wn5A1 LYS 281 HD2 0.00 -0.01 -0.01 -0.04 1.69 1.63 2wn5A1 LYS 281 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.63 2wn5A1 LYS 281 HE2 -0.03 -0.02 -0.15 -0.04 2.99 2.75 2wn5A1 LYS 281 HE3 -0.02 -0.02 -0.05 -0.04 2.99 2.86 2wn5A1 ILE 282 H 0.06 0.56 -0.18 -0.55 8.25 8.15 2wn5A1 ILE 282 HA 0.18 -0.02 0.39 -0.75 4.18 3.98 2wn5A1 ILE 282 HB 0.06 0.15 0.17 -0.04 1.89 2.23 2wn5A1 ILE 282 HG12 0.28 -0.05 0.01 -0.04 1.49 1.69 2wn5A1 ILE 282 HG13 0.17 0.01 0.04 -0.04 1.21 1.38 2wn5A1 ILE 282 HG23 -0.34 -0.01 -0.10 -0.04 0.93 0.45 2wn5A1 ILE 282 HD13 0.25 -0.01 -0.12 -0.04 0.88 0.96 2wn5A1 THR 283 H 0.06 0.51 -0.10 -0.55 8.28 8.20 2wn5A1 THR 283 HA 0.10 0.04 0.45 -0.75 4.39 4.23 2wn5A1 THR 283 HB 0.05 0.08 0.16 -0.04 4.32 4.57 2wn5A1 THR 283 HG23 0.05 -0.02 -0.06 -0.04 1.22 1.16 2wn5A1 ASN 284 H 0.03 0.57 -0.13 -0.55 8.53 8.46 2wn5A1 ASN 284 HA 0.02 0.00 0.41 -0.75 4.76 4.45 2wn5A1 ASN 284 HB2 0.00 0.13 0.14 -0.04 2.88 3.12 2wn5A1 ASN 284 HB3 -0.01 -0.08 -0.05 -0.04 2.79 2.61 2wn5A1 ASN 284 HD21 0.00 -0.07 -0.09 -0.04 7.03 6.83 2wn5A1 ASN 284 HD22 0.00 0.03 -0.11 -0.04 7.74 7.62 2wn5A1 ILE 285 H 0.01 0.52 -0.21 -0.55 8.25 8.02 2wn5A1 ILE 285 HA -0.05 0.02 0.41 -0.75 4.18 3.80 2wn5A1 ILE 285 HB -0.26 0.09 0.11 -0.04 1.89 1.79 2wn5A1 ILE 285 HG12 -0.20 -0.05 -0.16 -0.04 1.49 1.04 2wn5A1 ILE 285 HG13 -0.09 0.04 -0.07 -0.04 1.21 1.06 2wn5A1 ILE 285 HG23 -0.78 -0.02 -0.15 -0.04 0.93 -0.06 2wn5A1 ILE 285 HD13 -0.23 0.00 -0.12 -0.04 0.88 0.49 2wn5A1 GLU 286 H 0.19 0.59 -0.05 -0.55 8.60 8.79 2wn5A1 GLU 286 HA 0.31 -0.01 0.45 -0.75 4.29 4.28 2wn5A1 GLU 286 HB2 0.40 -0.01 0.12 -0.04 2.09 2.57 2wn5A1 GLU 286 HB3 0.20 0.11 0.18 -0.04 1.99 2.44 2wn5A1 GLU 286 HG2 0.14 0.01 -0.26 -0.04 2.34 2.19 2wn5A1 GLU 286 HG3 0.19 -0.03 0.00 -0.04 2.34 2.46 2wn5A1 ASN 287 H 0.10 0.56 -0.15 -0.55 8.53 8.49 2wn5A1 ASN 287 HA 0.09 0.05 0.46 -0.75 4.76 4.61 2wn5A1 ASN 287 HB2 0.04 0.06 0.15 -0.04 2.88 3.09 2wn5A1 ASN 287 HB3 0.04 -0.04 0.01 -0.04 2.79 2.75 2wn5A1 ASN 287 HD21 0.04 -0.04 -0.03 -0.04 7.03 6.96 2wn5A1 ASN 287 HD22 0.03 -0.08 -0.03 -0.04 7.74 7.62 2wn5A1 ALA 288 H 0.07 0.51 -0.15 -0.55 8.40 8.28 2wn5A1 ALA 288 HA 0.06 0.01 0.47 -0.75 4.34 4.12 2wn5A1 ALA 288 HB3 0.04 0.00 0.08 -0.04 1.41 1.48 2wn5A1 LEU 289 H 0.19 0.48 -0.27 -0.55 8.37 8.23 2wn5A1 LEU 289 HA 0.24 0.06 0.29 -0.75 4.35 4.19 2wn5A1 LEU 289 HB2 0.16 0.14 0.08 -0.04 1.64 1.99 2wn5A1 LEU 289 HB3 0.10 -0.10 -0.04 -0.04 1.64 1.55 2wn5A1 LEU 289 HG 0.09 0.24 -0.06 -0.04 1.64 1.88 2wn5A1 LEU 289 HD13 0.15 -0.04 -0.33 -0.04 0.93 0.67 2wn5A1 LEU 289 HD23 -0.02 -0.02 -0.15 -0.04 0.89 0.66 2wn5A1 LYS 290 H 0.16 0.32 -0.30 -0.55 8.42 8.04 2wn5A1 LYS 290 HA 0.11 0.09 0.65 -0.75 4.32 4.41 2wn5A1 LYS 290 HB2 0.09 0.03 0.10 -0.04 1.87 2.06 2wn5A1 LYS 290 HB3 0.08 -0.03 0.11 -0.04 1.79 1.90 2wn5A1 LYS 290 HG2 0.07 0.00 0.02 -0.04 1.46 1.51 2wn5A1 LYS 290 HG3 0.10 0.09 -0.01 -0.04 1.46 1.59 2wn5A1 LYS 290 HD2 0.08 -0.05 -0.10 -0.04 1.69 1.58 2wn5A1 LYS 290 HD3 0.05 -0.02 -0.01 -0.04 1.68 1.67 2wn5A1 LYS 290 HE2 0.03 0.03 -0.01 -0.04 2.99 3.00 2wn5A1 LYS 290 HE3 0.06 -0.03 -0.05 -0.04 2.99 2.94 2wn5A1 ARG 291 H 0.25 0.26 -0.51 -0.55 8.46 7.90 2wn5A1 ARG 291 HA 0.11 -0.01 0.34 -0.75 4.34 4.03 2wn5A1 ARG 291 HB2 0.12 -0.01 0.13 -0.04 1.90 2.10 2wn5A1 ARG 291 HB3 0.35 0.09 0.11 -0.04 1.80 2.31 2wn5A1 ARG 291 HG2 -0.02 -0.01 -0.11 -0.04 1.67 1.49 2wn5A1 ARG 291 HG3 0.11 -0.01 -0.17 -0.04 1.67 1.56 2wn5A1 ARG 291 HD2 0.00 0.07 0.06 -0.04 3.22 3.32 2wn5A1 ARG 291 HD3 0.05 -0.02 0.09 -0.04 3.22 3.30 2wn5A1 GLU 292 H 0.37 0.19 -0.18 -0.55 8.60 8.44 2wn5A1 GLU 292 HA 0.12 0.18 0.76 -0.75 4.29 4.60 2wn5A1 GLU 292 HB2 0.28 -0.07 -0.05 -0.04 2.09 2.21 2wn5A1 GLU 292 HB3 0.29 -0.05 0.20 -0.04 1.99 2.39 2wn5A1 GLU 292 HG2 -0.15 -0.04 0.06 -0.04 2.34 2.16 2wn5A1 GLU 292 HG3 -0.09 0.12 -0.05 -0.04 2.34 2.27 2wn5A1 PRO 293 HA 0.12 0.12 0.32 -0.51 4.44 4.49 2wn5A1 PRO 293 HB2 0.07 -0.11 -0.16 -0.04 2.28 2.04 2wn5A1 PRO 293 HB3 0.07 0.20 -0.37 -0.04 2.02 1.88 2wn5A1 PRO 293 HG2 0.06 -0.05 -0.01 -0.04 2.03 1.99 2wn5A1 PRO 293 HG3 0.08 0.08 -0.07 -0.04 2.03 2.08 2wn5A1 PRO 293 HD2 0.07 0.01 0.04 -0.04 3.68 3.75 2wn5A1 PRO 293 HD3 0.10 0.27 -0.41 -0.04 3.65 3.57 2wn5A1 ILE 294 H 0.12 0.53 0.09 -0.55 8.25 8.43 2wn5A1 ILE 294 HA 0.30 0.04 0.41 -0.75 4.18 4.19 2wn5A1 ILE 294 HB 0.11 -0.02 0.07 -0.04 1.89 2.00 2wn5A1 ILE 294 HG12 0.09 0.19 -0.18 -0.04 1.49 1.55 2wn5A1 ILE 294 HG13 0.08 -0.03 -0.11 -0.04 1.21 1.12 2wn5A1 ILE 294 HG23 0.21 -0.02 -0.08 -0.04 0.93 1.00 2wn5A1 ILE 294 HD13 0.16 -0.03 -0.19 -0.04 0.88 0.78 2wn5A1 PRO 295 HA 0.09 0.10 0.31 -0.51 4.44 4.43 2wn5A1 PRO 295 HB2 0.09 -0.06 0.03 -0.04 2.28 2.31 2wn5A1 PRO 295 HB3 0.02 0.08 0.10 -0.04 2.02 2.18 2wn5A1 PRO 295 HG2 0.36 -0.05 0.01 -0.04 2.03 2.31 2wn5A1 PRO 295 HG3 -0.07 0.04 0.07 -0.04 2.03 2.03 2wn5A1 PRO 295 HD2 0.51 0.01 0.17 -0.04 3.68 4.33 2wn5A1 PRO 295 HD3 0.18 0.30 0.21 -0.04 3.65 4.30 2wn5A1 THR 296 H 0.22 0.26 -0.24 -0.55 8.28 7.97 2wn5A1 THR 296 HA 0.07 0.08 0.59 -0.75 4.39 4.38 2wn5A1 THR 296 HB 0.14 0.06 -0.13 -0.04 4.32 4.35 2wn5A1 THR 296 HG23 0.15 0.01 -0.18 -0.04 1.22 1.17 2wn5A1 ASN 297 H 0.01 0.09 0.14 -0.55 8.53 8.22 2wn5A1 ASN 297 HA -0.01 0.27 0.61 -0.75 4.76 4.88 2wn5A1 ASN 297 HB2 -0.03 -0.04 0.22 -0.04 2.88 2.98 2wn5A1 ASN 297 HB3 -0.04 0.03 0.06 -0.04 2.79 2.80 2wn5A1 ASN 297 HD21 -0.01 -0.05 0.05 -0.04 7.03 6.98 2wn5A1 ASN 297 HD22 -0.02 0.37 0.12 -0.04 7.74 8.17 2wn5A1 LEU 298 H -0.04 0.59 0.33 -0.55 8.37 8.71 2wn5A1 LEU 298 HA -0.19 0.14 1.02 -0.75 4.35 4.57 2wn5A1 LEU 298 HB2 -0.15 0.02 -0.17 -0.04 1.64 1.30 2wn5A1 LEU 298 HB3 -0.03 0.02 0.08 -0.04 1.64 1.66 2wn5A1 LEU 298 HG -0.12 0.06 -0.45 -0.04 1.64 1.09 2wn5A1 LEU 298 HD13 -0.52 0.01 0.01 -0.04 0.93 0.38 2wn5A1 LEU 298 HD23 0.03 -0.03 -0.12 -0.04 0.89 0.72 2wn5A1 THR 299 H -0.18 0.75 0.31 -0.55 8.28 8.61 2wn5A1 THR 299 HA -0.17 0.32 0.99 -0.75 4.39 4.77 2wn5A1 THR 299 HB -0.13 -0.14 0.17 -0.04 4.32 4.17 2wn5A1 THR 299 HG23 -0.40 0.00 -0.20 -0.04 1.22 0.58 2wn5A1 VAL 300 H -0.25 0.67 0.38 -0.55 8.24 8.48 2wn5A1 VAL 300 HA -0.04 0.19 0.85 -0.75 4.13 4.37 2wn5A1 VAL 300 HB -0.02 -0.00 0.05 -0.04 2.12 2.11 2wn5A1 VAL 300 HG13 0.01 -0.02 -0.28 -0.04 0.97 0.64 2wn5A1 VAL 300 HG23 -0.08 0.01 -0.14 -0.04 0.95 0.70 2wn5A1 TYR 301 H 0.09 0.59 0.32 -0.55 8.29 8.74 2wn5A1 TYR 301 HA -0.08 0.34 1.08 -0.75 4.56 5.16 2wn5A1 TYR 301 HB2 -0.06 0.20 -0.02 -0.04 3.06 3.13 2wn5A1 TYR 301 HB3 -0.06 0.01 -0.11 -0.04 2.98 2.78 2wn5A1 TYR 301 HD2 0.01 0.06 -0.36 -0.04 7.15 6.82 2wn5A1 TYR 301 HE2 -0.02 -0.03 -0.20 -0.04 6.85 6.56 2wn5A1 ARG 302 H -0.07 0.69 0.35 -0.55 8.46 8.88 2wn5A1 ARG 302 HA -0.17 0.13 0.99 -0.75 4.34 4.53 2wn5A1 ARG 302 HB2 -0.17 0.06 0.02 -0.04 1.90 1.77 2wn5A1 ARG 302 HB3 -0.17 -0.04 0.11 -0.04 1.80 1.67 2wn5A1 ARG 302 HG2 -0.09 -0.11 -0.54 -0.04 1.67 0.89 2wn5A1 ARG 302 HG3 -0.15 0.06 0.01 -0.04 1.67 1.55 2wn5A1 ARG 302 HD2 -0.19 0.15 -0.05 -0.04 3.22 3.09 2wn5A1 ARG 302 HD3 -0.24 -0.04 -0.10 -0.04 3.22 2.80 2wn5A1 ARG 303 H -0.47 0.16 0.10 -0.55 8.46 7.70 2wn5A1 ARG 303 HA -0.11 0.24 0.95 -0.75 4.34 4.67 2wn5A1 ARG 303 HB2 -0.52 -0.10 0.17 -0.04 1.90 1.40 2wn5A1 ARG 303 HB3 -0.09 0.10 0.05 -0.04 1.80 1.81 2wn5A1 ARG 303 HG2 -0.77 -0.03 0.00 -0.04 1.67 0.83 2wn5A1 ARG 303 HG3 -0.40 -0.09 0.02 -0.04 1.67 1.15 2wn5A1 ARG 303 HD2 -0.09 -0.02 -0.17 -0.04 3.22 2.91 2wn5A1 ARG 303 HD3 -0.09 0.15 -0.17 -0.04 3.22 3.07 2wn5A1 SER 304 H 0.01 0.88 0.32 -0.55 8.46 9.12 2wn5A1 SER 304 HA 0.06 0.06 0.62 -0.75 4.49 4.48 2wn5A1 SER 304 HB2 0.24 -0.00 0.01 -0.04 3.95 4.16 2wn5A1 SER 304 HB3 0.31 0.02 -0.03 -0.04 3.93 4.19 2wn5A1 GLY 305 H 0.09 0.11 0.17 -0.55 8.43 8.25 2wn5A1 GLY 305 HA2 0.08 0.14 0.69 -0.51 4.01 4.41 2wn5A1 GLY 305 HA3 0.05 -0.01 0.35 -0.51 4.01 3.89 2wn5A1 PRO 306 HA -0.13 0.15 0.26 -0.51 4.44 4.22 2wn5A1 PRO 306 HB2 -0.31 -0.02 -0.67 -0.04 2.28 1.25 2wn5A1 PRO 306 HB3 -1.28 0.14 -0.13 -0.04 2.02 0.70 2wn5A1 PRO 306 HG2 -0.17 -0.02 -0.04 -0.04 2.03 1.75 2wn5A1 PRO 306 HG3 -0.40 0.05 -0.20 -0.04 2.03 1.44 2wn5A1 PRO 306 HD2 -0.06 0.07 0.20 -0.04 3.68 3.85 2wn5A1 PRO 306 HD3 -0.24 0.19 0.15 -0.04 3.65 3.71 2wn5A1 GLN 307 H -0.03 0.05 -0.23 -0.55 8.47 7.71 2wn5A1 GLN 307 HA 0.00 0.28 0.35 -0.75 4.36 4.25 2wn5A1 GLN 307 HB2 -0.00 -0.01 0.00 -0.04 2.15 2.10 2wn5A1 GLN 307 HB3 -0.01 0.06 0.06 -0.04 2.02 2.10 2wn5A1 GLN 307 HG2 0.00 0.02 0.05 -0.04 2.40 2.43 2wn5A1 GLN 307 HG3 -0.02 0.09 0.11 -0.04 2.39 2.52 2wn5A1 GLN 307 HE21 0.01 0.01 0.04 -0.04 6.97 6.99 2wn5A1 GLN 307 HE22 0.00 0.01 0.05 -0.04 7.69 7.71 2wn5A1 GLU 308 H 0.01 0.19 -0.37 -0.55 8.60 7.89 2wn5A1 GLU 308 HA -0.28 0.10 0.44 -0.75 4.29 3.79 2wn5A1 GLU 308 HB2 -0.04 0.12 -0.01 -0.04 2.09 2.11 2wn5A1 GLU 308 HB3 -0.51 0.06 0.03 -0.04 1.99 1.52 2wn5A1 GLU 308 HG2 -0.01 0.05 0.02 -0.04 2.34 2.36 2wn5A1 GLU 308 HG3 0.01 -0.15 0.01 -0.04 2.34 2.16 2wn5A1 PHE 309 H 0.15 0.34 -0.37 -0.55 8.34 7.91 2wn5A1 PHE 309 HA -0.24 0.24 0.80 -0.75 4.62 4.66 2wn5A1 PHE 309 HB2 0.14 -0.01 0.01 -0.04 3.15 3.24 2wn5A1 PHE 309 HB3 0.01 0.01 0.11 -0.04 3.06 3.14 2wn5A1 PHE 309 HD2 -1.21 0.04 -0.12 -0.04 7.28 5.95 2wn5A1 PHE 309 HE2 -0.33 -0.01 -0.14 -0.04 7.38 6.85 2wn5A1 PHE 309 HZ -0.16 -0.02 -0.15 -0.04 7.32 6.96 2wn5A1 GLY 310 H 0.08 0.35 -0.23 -0.55 8.43 8.08 2wn5A1 GLY 310 HA2 0.09 0.04 0.30 -0.51 4.01 3.92 2wn5A1 GLY 310 HA3 0.19 0.08 0.38 -0.51 4.01 4.16 2wn5A1 LEU 311 H 0.12 0.39 -0.19 -0.55 8.37 8.14 2wn5A1 LEU 311 HA 0.07 0.17 0.81 -0.75 4.35 4.65 2wn5A1 LEU 311 HB2 0.01 -0.00 -0.08 -0.04 1.64 1.52 2wn5A1 LEU 311 HB3 0.02 -0.10 0.08 -0.04 1.64 1.59 2wn5A1 LEU 311 HG 0.31 0.18 -0.33 -0.04 1.64 1.77 2wn5A1 LEU 311 HD13 0.38 -0.01 -0.19 -0.04 0.93 1.07 2wn5A1 LEU 311 HD23 0.17 -0.01 -0.11 -0.04 0.89 0.90 2wn5A1 THR 312 H -0.02 0.13 0.16 -0.55 8.28 8.00 2wn5A1 THR 312 HA -0.07 0.21 0.75 -0.75 4.39 4.53 2wn5A1 THR 312 HB -0.01 -0.05 0.17 -0.04 4.32 4.39 2wn5A1 THR 312 HG23 0.00 0.06 -0.14 -0.04 1.22 1.09 2wn5A1 LEU 313 H -0.04 0.18 0.15 -0.55 8.37 8.11 2wn5A1 LEU 313 HA -0.00 0.15 0.50 -0.75 4.35 4.24 2wn5A1 LEU 313 HB2 0.01 -0.04 0.17 -0.04 1.64 1.74 2wn5A1 LEU 313 HB3 0.05 0.06 -0.02 -0.04 1.64 1.69 2wn5A1 LEU 313 HG 0.00 -0.05 0.07 -0.04 1.64 1.63 2wn5A1 LEU 313 HD13 0.05 0.01 0.03 -0.04 0.93 0.97 2wn5A1 LEU 313 HD23 0.19 0.02 0.06 -0.04 0.89 1.12 2wn5A1 THR 314 H 0.01 -0.01 -0.20 -0.55 8.28 7.54 2wn5A1 THR 314 HA 0.04 0.22 0.63 -0.75 4.39 4.53 2wn5A1 THR 314 HB 0.02 0.03 0.02 -0.04 4.32 4.35 2wn5A1 THR 314 HG23 0.02 0.01 -0.03 -0.04 1.22 1.17 2wn5A1 SER 315 H 0.03 0.09 -0.37 -0.55 8.46 7.65 2wn5A1 SER 315 HA 0.03 0.11 0.41 -0.75 4.49 4.28 2wn5A1 SER 315 HB2 0.05 0.12 0.15 -0.04 3.95 4.24 2wn5A1 SER 315 HB3 0.05 0.00 0.09 -0.04 3.93 4.04 2wn5A1 PRO 316 HA -0.02 0.15 0.54 -0.51 4.44 4.60 2wn5A1 PRO 316 HB2 0.00 0.02 0.03 -0.04 2.28 2.29 2wn5A1 PRO 316 HB3 -0.00 0.05 0.14 -0.04 2.02 2.17 2wn5A1 PRO 316 HG2 0.02 0.02 0.07 -0.04 2.03 2.09 2wn5A1 PRO 316 HG3 0.01 0.05 0.09 -0.04 2.03 2.14 2wn5A1 PRO 316 HD2 0.02 0.04 0.26 -0.04 3.68 3.96 2wn5A1 PRO 316 HD3 0.01 0.25 0.23 -0.04 3.65 4.10 2wn5A1 GLU 317 H 0.04 0.09 -0.25 -0.55 8.60 7.93 2wn5A1 GLU 317 HA 0.03 0.12 0.55 -0.75 4.29 4.23 2wn5A1 GLU 317 HB2 0.12 0.01 -0.05 -0.04 2.09 2.13 2wn5A1 GLU 317 HB3 0.15 0.08 0.05 -0.04 1.99 2.23 2wn5A1 GLU 317 HG2 0.08 0.07 -0.01 -0.04 2.34 2.43 2wn5A1 GLU 317 HG3 0.05 -0.05 -0.05 -0.04 2.34 2.25 2wn5A1 TYR 318 H 0.04 0.24 -0.48 -0.55 8.29 7.54 2wn5A1 TYR 318 HA -0.65 0.13 0.48 -0.75 4.56 3.77 2wn5A1 TYR 318 HB2 -0.09 -0.10 0.04 -0.04 3.06 2.87 2wn5A1 TYR 318 HB3 -0.15 0.25 0.03 -0.04 2.98 3.06 2wn5A1 TYR 318 HD2 -0.12 0.11 0.03 -0.04 7.15 7.13 2wn5A1 TYR 318 HE2 0.03 -0.00 -0.00 -0.04 6.85 6.84 2wn5A1 ASP 319 H -0.25 0.24 -0.64 -0.55 8.40 7.21 2wn5A1 ASP 319 HA -0.41 0.12 0.78 -0.75 4.63 4.35 2wn5A1 ASP 319 HB2 -0.14 0.04 0.07 -0.04 2.71 2.65 2wn5A1 ASP 319 HB3 -0.12 0.10 0.23 -0.04 2.70 2.87 2wn5A1 PHE 320 H -0.44 0.34 0.08 -0.55 8.34 7.76 2wn5A1 PHE 320 HA -0.10 0.14 0.35 -0.75 4.62 4.25 2wn5A1 PHE 320 HB2 -0.23 0.19 -0.03 -0.04 3.15 3.04 2wn5A1 PHE 320 HB3 -0.18 -0.05 -0.01 -0.04 3.06 2.78 2wn5A1 PHE 320 HD2 -0.24 0.02 -0.16 -0.04 7.28 6.86 2wn5A1 PHE 320 HE2 -0.21 -0.00 -0.09 -0.04 7.38 7.03 2wn5A1 PHE 320 HZ -0.36 -0.03 -0.09 -0.04 7.32 6.80 2wn5A1 ASN 321 H -0.07 0.07 -0.35 -0.55 8.53 7.63 2wn5A1 ASN 321 HA -0.01 0.12 0.58 -0.75 4.76 4.69 2wn5A1 ASN 321 HB2 -0.05 -0.01 0.03 -0.04 2.88 2.81 2wn5A1 ASN 321 HB3 -0.03 0.01 0.10 -0.04 2.79 2.83 2wn5A1 ASN 321 HD21 -0.05 0.00 0.02 -0.04 7.03 6.96 2wn5A1 ASN 321 HD22 -0.05 -0.02 0.03 -0.04 7.74 7.65 2wn5A1 LYS 322 H -0.01 0.32 -0.30 -0.55 8.42 7.88 2wn5A1 LYS 322 HA 0.01 0.13 0.85 -0.75 4.32 4.55 2wn5A1 LYS 322 HB2 0.01 0.07 0.17 -0.04 1.87 2.07 2wn5A1 LYS 322 HB3 0.01 -0.07 0.08 -0.04 1.79 1.76 2wn5A1 LYS 322 HG2 -0.01 0.03 -0.10 -0.04 1.46 1.35 2wn5A1 LYS 322 HG3 -0.03 0.02 -0.02 -0.04 1.46 1.39 2wn5A1 LYS 322 HD2 -0.01 0.05 0.05 -0.04 1.69 1.74 2wn5A1 LYS 322 HD3 -0.00 -0.03 0.02 -0.04 1.68 1.62 2wn5A1 LYS 322 HE2 -0.01 -0.00 0.01 -0.04 2.99 2.95 2wn5A1 LYS 322 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2wn5A1 LEU 323 H 0.02 0.21 0.13 -0.55 8.37 8.18 2wn5A1 LEU 323 HA 0.03 0.14 0.29 -0.75 4.35 4.06 2wn5A1 LEU 323 HB2 0.02 -0.03 0.14 -0.04 1.64 1.72 2wn5A1 LEU 323 HB3 0.02 0.03 -0.01 -0.04 1.64 1.64 2wn5A1 LEU 323 HG 0.01 0.04 0.03 -0.04 1.64 1.67 2wn5A1 LEU 323 HD13 0.01 0.02 0.01 -0.04 0.93 0.92 2wn5A1 LEU 323 HD23 0.01 0.01 0.01 -0.04 0.89 0.87 2wn5A1 GLU 324 H 0.03 0.08 -0.19 -0.55 8.60 7.96 2wn5A1 GLU 324 HA 0.04 0.09 0.49 -0.75 4.29 4.15 2wn5A1 GLU 324 HB2 0.03 0.06 -0.02 -0.04 2.09 2.12 2wn5A1 GLU 324 HB3 0.02 0.02 0.08 -0.04 1.99 2.07 2wn5A1 GLU 324 HG2 0.03 -0.07 -0.03 -0.04 2.34 2.23 2wn5A1 GLU 324 HG3 0.02 0.06 -0.03 -0.04 2.34 2.36 2wn5A1 ASN 325 H 0.06 0.25 -0.24 -0.55 8.53 8.06 2wn5A1 ASN 325 HA 0.13 0.03 0.47 -0.75 4.76 4.63 2wn5A1 ASN 325 HB2 0.09 0.20 0.13 -0.04 2.88 3.25 2wn5A1 ASN 325 HB3 0.12 0.17 -0.04 -0.04 2.79 3.00 2wn5A1 ASN 325 HD21 -0.02 -0.02 0.13 -0.04 7.03 7.08 2wn5A1 ASN 325 HD22 -0.07 0.49 0.21 -0.04 7.74 8.33 2wn5A1 ILE 326 H 0.12 0.26 -0.17 -0.55 8.25 7.91 2wn5A1 ILE 326 HA 0.09 0.09 0.52 -0.75 4.18 4.13 2wn5A1 ILE 326 HB 0.04 0.05 0.12 -0.04 1.89 2.06 2wn5A1 ILE 326 HG12 -0.10 -0.00 -0.04 -0.04 1.49 1.30 2wn5A1 ILE 326 HG13 0.10 0.04 -0.02 -0.04 1.21 1.30 2wn5A1 ILE 326 HG23 -0.03 -0.00 -0.16 -0.04 0.93 0.70 2wn5A1 ILE 326 HD13 -0.02 0.00 -0.07 -0.04 0.88 0.75 2wn5A1 ASP 327 H 0.07 0.55 -0.06 -0.55 8.40 8.42 2wn5A1 ASP 327 HA 0.06 0.04 0.37 -0.75 4.63 4.34 2wn5A1 ASP 327 HB2 0.04 0.05 0.20 -0.04 2.71 2.96 2wn5A1 ASP 327 HB3 0.03 -0.01 0.02 -0.04 2.70 2.70 2wn5A1 ALA 328 H 0.11 0.48 -0.20 -0.55 8.40 8.24 2wn5A1 ALA 328 HA 0.05 0.03 0.47 -0.75 4.34 4.14 2wn5A1 ALA 328 HB3 0.09 0.01 0.07 -0.04 1.41 1.54 2wn5A1 PHE 329 H 0.32 0.47 -0.18 -0.55 8.34 8.39 2wn5A1 PHE 329 HA 0.23 0.04 0.50 -0.75 4.62 4.64 2wn5A1 PHE 329 HB2 0.28 0.14 0.15 -0.04 3.15 3.68 2wn5A1 PHE 329 HB3 0.06 0.05 0.15 -0.04 3.06 3.28 2wn5A1 PHE 329 HD2 0.19 0.01 -0.16 -0.04 7.28 7.28 2wn5A1 PHE 329 HE2 -0.14 -0.02 -0.10 -0.04 7.38 7.07 2wn5A1 PHE 329 HZ -1.56 -0.02 -0.10 -0.04 7.32 5.60 2wn5A1 LYS 330 H 0.22 0.70 -0.08 -0.55 8.42 8.71 2wn5A1 LYS 330 HA 0.19 -0.03 0.43 -0.75 4.32 4.16 2wn5A1 LYS 330 HB2 0.09 0.08 0.14 -0.04 1.87 2.13 2wn5A1 LYS 330 HB3 0.08 -0.01 0.01 -0.04 1.79 1.83 2wn5A1 LYS 330 HG2 0.13 -0.07 0.01 -0.04 1.46 1.49 2wn5A1 LYS 330 HG3 0.09 0.11 -0.04 -0.04 1.46 1.59 2wn5A1 LYS 330 HD2 0.05 -0.04 -0.03 -0.04 1.69 1.62 2wn5A1 LYS 330 HD3 0.06 0.01 0.05 -0.04 1.68 1.75 2wn5A1 LYS 330 HE2 0.00 0.05 -0.13 -0.04 2.99 2.87 2wn5A1 LYS 330 HE3 0.01 -0.10 -0.12 -0.04 2.99 2.74 2wn5A1 SER 331 H 0.05 0.44 -0.18 -0.55 8.46 8.22 2wn5A1 SER 331 HA -0.01 0.06 0.43 -0.75 4.49 4.22 2wn5A1 SER 331 HB2 0.00 0.04 0.15 -0.04 3.95 4.10 2wn5A1 SER 331 HB3 -0.02 0.05 0.12 -0.04 3.93 4.03 2wn5A1 LYS 332 H -0.10 0.30 -0.33 -0.55 8.42 7.73 2wn5A1 LYS 332 HA -0.30 0.02 0.50 -0.75 4.32 3.78 2wn5A1 LYS 332 HB2 -0.27 -0.02 0.12 -0.04 1.87 1.67 2wn5A1 LYS 332 HB3 -0.53 0.09 0.15 -0.04 1.79 1.47 2wn5A1 LYS 332 HG2 -1.52 0.03 -0.13 -0.04 1.46 -0.19 2wn5A1 LYS 332 HG3 -0.55 -0.08 0.04 -0.04 1.46 0.83 2wn5A1 LYS 332 HD2 -0.22 -0.06 -0.01 -0.04 1.69 1.36 2wn5A1 LYS 332 HD3 -0.62 0.04 -0.03 -0.04 1.68 1.03 2wn5A1 LYS 332 HE2 -0.24 -0.07 -0.01 -0.04 2.99 2.63 2wn5A1 LYS 332 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.94 2wn5A1 TRP 333 H -0.04 0.25 -0.15 -0.55 7.97 7.49 2wn5A1 TRP 333 HA -0.06 0.18 0.75 -0.75 4.62 4.73 2wn5A1 TRP 333 HB2 -0.31 0.05 0.03 -0.04 3.23 2.96 2wn5A1 TRP 333 HB3 -0.04 -0.07 -0.08 -0.04 3.23 3.00 2wn5A1 TRP 333 HD1 -1.75 0.03 0.02 -0.04 7.22 5.48 2wn5A1 TRP 333 HE1 -0.21 0.04 0.01 -0.04 10.20 10.00 2wn5A1 TRP 333 HE3 0.00 0.00 -0.11 -0.04 7.59 7.45 2wn5A1 TRP 333 HZ2 0.02 0.11 -0.08 -0.04 7.44 7.45 2wn5A1 TRP 333 HZ3 -0.05 0.07 0.01 -0.04 7.13 7.12 2wn5A1 TRP 333 HH2 -0.09 -0.03 0.01 -0.04 7.19 7.03 2wn5A1 GLU 334 H 0.13 0.38 0.14 -0.55 8.60 8.71 2wn5A1 GLU 334 HA 0.15 -0.03 0.34 -0.75 4.29 3.99 2wn5A1 GLU 334 HB2 0.09 0.23 0.21 -0.04 2.09 2.57 2wn5A1 GLU 334 HB3 0.11 0.10 -0.00 -0.04 1.99 2.16 2wn5A1 GLU 334 HG2 0.13 -0.04 -0.11 -0.04 2.34 2.28 2wn5A1 GLU 334 HG3 0.14 -0.09 0.06 -0.04 2.34 2.40 2wn5A1 GLY 335 H 0.11 0.68 0.32 -0.55 8.43 8.99 2wn5A1 GLY 335 HA2 0.07 0.05 0.43 -0.51 4.01 4.04 2wn5A1 GLY 335 HA3 0.06 0.05 0.60 -0.51 4.01 4.22 2wn5A1 GLN 336 H 0.12 0.47 -0.41 -0.55 8.47 8.10 2wn5A1 GLN 336 HA 0.05 0.06 0.64 -0.75 4.36 4.36 2wn5A1 GLN 336 HB2 0.17 0.10 0.07 -0.04 2.15 2.45 2wn5A1 GLN 336 HB3 0.06 -0.08 0.11 -0.04 2.02 2.06 2wn5A1 GLN 336 HG2 -0.01 0.12 -0.28 -0.04 2.40 2.18 2wn5A1 GLN 336 HG3 -0.14 0.20 0.03 -0.04 2.39 2.43 2wn5A1 GLN 336 HE21 -0.01 -0.10 -0.07 -0.04 6.97 6.74 2wn5A1 GLN 336 HE22 0.00 0.08 -0.24 -0.04 7.69 7.49 2wn5A1 ALA 337 H 0.08 0.10 0.18 -0.55 8.40 8.21 2wn5A1 ALA 337 HA 0.13 0.27 0.90 -0.75 4.34 4.88 2wn5A1 ALA 337 HB3 0.05 -0.02 0.00 -0.04 1.41 1.41 2wn5A1 LEU 338 H 0.19 0.79 0.34 -0.55 8.37 9.15 2wn5A1 LEU 338 HA 0.19 0.12 0.85 -0.75 4.35 4.75 2wn5A1 LEU 338 HB2 -0.09 0.03 0.01 -0.04 1.64 1.56 2wn5A1 LEU 338 HB3 0.12 0.00 0.17 -0.04 1.64 1.89 2wn5A1 LEU 338 HG -0.16 0.00 -0.28 -0.04 1.64 1.16 2wn5A1 LEU 338 HD13 -1.15 0.02 0.01 -0.04 0.93 -0.23 2wn5A1 LEU 338 HD23 -0.26 -0.03 -0.12 -0.04 0.89 0.44 2wn5A1 SER 339 H 0.03 0.20 0.14 -0.55 8.46 8.29 2wn5A1 SER 339 HA 0.11 0.31 1.00 -0.75 4.49 5.16 2wn5A1 SER 339 HB2 0.00 0.04 -0.09 -0.04 3.95 3.86 2wn5A1 SER 339 HB3 0.02 -0.01 -0.09 -0.04 3.93 3.81 2wn5A1 TYR 340 H 0.23 0.68 0.14 -0.55 8.29 8.79 2wn5A1 TYR 340 HA -0.01 0.17 0.93 -0.75 4.56 4.89 2wn5A1 TYR 340 HB2 0.15 0.08 0.10 -0.04 3.06 3.34 2wn5A1 TYR 340 HB3 0.04 0.06 -0.04 -0.04 2.98 3.00 2wn5A1 TYR 340 HD2 0.11 0.02 -0.20 -0.04 7.15 7.03 2wn5A1 TYR 340 HE2 -0.23 -0.05 -0.11 -0.04 6.85 6.42 2wn5A1 PRO 341 HA -0.00 0.09 0.59 -0.51 4.44 4.61 2wn5A1 PRO 341 HB2 0.01 -0.06 -0.33 -0.04 2.28 1.86 2wn5A1 PRO 341 HB3 -0.01 0.06 0.05 -0.04 2.02 2.08 2wn5A1 PRO 341 HG2 -0.03 0.07 0.09 -0.04 2.03 2.13 2wn5A1 PRO 341 HG3 -0.03 0.06 0.02 -0.04 2.03 2.04 2wn5A1 PRO 341 HD2 -0.02 -0.00 0.22 -0.04 3.68 3.83 2wn5A1 PRO 341 HD3 -0.09 0.35 0.15 -0.04 3.65 4.03 2wn5A1 ASN 342 H 0.12 0.11 -0.13 -0.55 8.53 8.08 2wn5A1 ASN 342 HA 0.06 0.07 0.62 -0.75 4.76 4.76 2wn5A1 ASN 342 HB2 0.22 -0.02 0.15 -0.04 2.88 3.20 2wn5A1 ASN 342 HB3 0.14 0.05 0.14 -0.04 2.79 3.08 2wn5A1 ASN 342 HD21 0.27 -0.06 -0.05 -0.04 7.03 7.16 2wn5A1 ASN 342 HD22 0.21 0.09 -0.01 -0.04 7.74 7.99 2wn5A1 PHE 343 H 0.31 0.02 0.11 -0.55 8.34 8.22 2wn5A1 PHE 343 HA 0.11 0.21 0.43 -0.75 4.62 4.61 2wn5A1 PHE 343 HB2 0.20 -0.09 0.03 -0.04 3.15 3.25 2wn5A1 PHE 343 HB3 -0.01 0.09 -0.04 -0.04 3.06 3.06 2wn5A1 PHE 343 HD2 0.10 0.08 -0.03 -0.04 7.28 7.38 2wn5A1 PHE 343 HE2 0.01 0.01 -0.05 -0.04 7.38 7.32 2wn5A1 PHE 343 HZ -0.21 0.15 0.09 -0.04 7.32 7.31 2wn5A1 ILE 344 H 0.15 0.57 0.10 -0.55 8.25 8.52 2wn5A1 ILE 344 HA -0.03 0.13 0.80 -0.75 4.18 4.32 2wn5A1 ILE 344 HB -0.05 -0.06 0.04 -0.04 1.89 1.79 2wn5A1 ILE 344 HG12 -0.53 0.01 -0.14 -0.04 1.49 0.78 2wn5A1 ILE 344 HG13 -0.15 0.03 -0.38 -0.04 1.21 0.67 2wn5A1 ILE 344 HG23 -0.48 0.01 -0.23 -0.04 0.93 0.19 2wn5A1 ILE 344 HD13 0.09 -0.02 -0.14 -0.04 0.88 0.77 2wn5A1 SER 345 H -0.01 0.16 0.09 -0.55 8.46 8.15 2wn5A1 SER 345 HA -0.03 0.10 0.73 -0.75 4.49 4.54 2wn5A1 SER 345 HB2 -0.07 -0.05 0.03 -0.04 3.95 3.82 2wn5A1 SER 345 HB3 -0.07 -0.03 0.13 -0.04 3.93 3.93 2wn5A1 THR 346 H -0.04 0.60 0.37 -0.55 8.28 8.66 2wn5A1 THR 346 HA -0.08 0.17 0.80 -0.75 4.39 4.53 2wn5A1 THR 346 HB -0.06 -0.05 -0.06 -0.04 4.32 4.11 2wn5A1 THR 346 HG23 -0.12 0.01 -0.34 -0.04 1.22 0.73 2wn5A1 SER 347 H 0.03 0.70 0.41 -0.55 8.46 9.04 2wn5A1 SER 347 HA 0.11 0.33 1.05 -0.75 4.49 5.23 2wn5A1 SER 347 HB2 0.12 0.01 0.06 -0.04 3.95 4.11 2wn5A1 SER 347 HB3 0.08 0.21 0.22 -0.04 3.93 4.41 2wn5A1 ILE 348 H 0.22 0.47 0.29 -0.55 8.25 8.68 2wn5A1 ILE 348 HA 0.15 0.21 0.81 -0.75 4.18 4.60 2wn5A1 ILE 348 HB 0.03 -0.08 0.11 -0.04 1.89 1.91 2wn5A1 ILE 348 HG12 0.20 0.00 -0.17 -0.04 1.49 1.48 2wn5A1 ILE 348 HG13 0.36 0.19 0.12 -0.04 1.21 1.84 2wn5A1 ILE 348 HG23 0.17 0.03 -0.03 -0.04 0.93 1.05 2wn5A1 ILE 348 HD13 -0.11 -0.03 -0.17 -0.04 0.88 0.53 2wn5A1 GLY 349 H 0.09 0.09 -0.21 -0.55 8.43 7.85 2wn5A1 GLY 349 HA2 -0.10 0.35 0.79 -0.51 4.01 4.54 2wn5A1 GLY 349 HA3 -0.12 -0.10 0.20 -0.51 4.01 3.48 2wn5A1 SER 350 H -0.46 0.42 -0.06 -0.55 8.46 7.81 2wn5A1 SER 350 HA -0.75 0.16 0.51 -0.75 4.49 3.65 2wn5A1 SER 350 HB2 -1.20 0.01 -0.15 -0.04 3.95 2.57 2wn5A1 SER 350 HB3 -2.14 -0.04 -0.14 -0.04 3.93 1.56 2wn5A1 VAL 351 H -0.24 -0.12 -0.18 -0.55 8.24 7.15 2wn5A1 VAL 351 HA -0.21 0.24 0.19 -0.75 4.13 3.60 2wn5A1 VAL 351 HB -0.08 -0.02 0.12 -0.04 2.12 2.10 2wn5A1 VAL 351 HG13 -0.13 -0.03 0.08 -0.04 0.97 0.85 2wn5A1 VAL 351 HG23 -0.03 -0.05 -0.09 -0.04 0.95 0.74 2wn5A1 ASN 352 H -0.24 0.19 -0.40 -0.55 8.53 7.53 2wn5A1 ASN 352 HA -0.05 0.17 0.58 -0.75 4.76 4.71 2wn5A1 ASN 352 HB2 -0.36 0.26 0.05 -0.04 2.88 2.80 2wn5A1 ASN 352 HB3 -1.32 -0.26 -0.12 -0.04 2.79 1.04 2wn5A1 ASN 352 HD21 -0.02 0.28 0.07 -0.04 7.03 7.32 2wn5A1 ASN 352 HD22 -0.25 -0.14 0.00 -0.04 7.74 7.31 2wn5A1 MET 353 H 0.14 0.30 0.06 -0.55 8.47 8.43 2wn5A1 MET 353 HA 0.16 0.11 0.68 -0.75 4.52 4.71 2wn5A1 MET 353 HB2 -0.73 0.00 -0.01 -0.04 2.15 1.37 2wn5A1 MET 353 HB3 -0.16 -0.09 0.07 -0.04 2.03 1.82 2wn5A1 MET 353 HG2 0.24 0.15 -0.65 -0.04 2.63 2.34 2wn5A1 MET 353 HG3 0.26 0.08 -0.12 -0.04 2.56 2.73 2wn5A1 MET 353 HE3 0.17 -0.00 -0.01 -0.04 2.10 2.21 2wn5A1 SER 354 H 0.12 0.18 0.12 -0.55 8.46 8.34 2wn5A1 SER 354 HA 0.20 0.07 0.26 -0.75 4.49 4.27 2wn5A1 SER 354 HB2 0.08 -0.01 0.16 -0.04 3.95 4.13 2wn5A1 SER 354 HB3 0.01 0.07 0.01 -0.04 3.93 3.97 2wn5A1 ALA 355 H -0.31 0.06 -0.23 -0.55 8.40 7.38 2wn5A1 ALA 355 HA -0.10 0.08 0.47 -0.75 4.34 4.03 2wn5A1 ALA 355 HB3 -0.35 0.02 0.04 -0.04 1.41 1.08 2wn5A1 PHE 356 H -0.73 0.29 -0.26 -0.55 8.34 7.08 2wn5A1 PHE 356 HA 0.06 0.17 0.86 -0.75 4.62 4.95 2wn5A1 PHE 356 HB2 0.03 0.01 0.20 -0.04 3.15 3.35 2wn5A1 PHE 356 HB3 0.04 0.07 0.05 -0.04 3.06 3.18 2wn5A1 PHE 356 HD2 0.01 0.03 -0.06 -0.04 7.28 7.22 2wn5A1 PHE 356 HE2 0.01 0.07 -0.05 -0.04 7.38 7.37 2wn5A1 PHE 356 HZ 0.04 0.08 -0.05 -0.04 7.32 7.35 2wn5A1 ALA 357 H 0.08 0.34 -0.25 -0.55 8.40 8.02 2wn5A1 ALA 357 HA 0.14 0.04 0.21 -0.75 4.34 3.98 2wn5A1 ALA 357 HB3 0.18 -0.02 0.06 -0.04 1.41 1.59 2wn5A1 LYS 358 H 0.12 0.02 -0.28 -0.55 8.42 7.73 2wn5A1 LYS 358 HA 0.07 0.18 0.51 -0.75 4.32 4.33 2wn5A1 LYS 358 HB2 0.09 -0.01 -0.02 -0.04 1.87 1.89 2wn5A1 LYS 358 HB3 0.06 0.01 0.07 -0.04 1.79 1.90 2wn5A1 LYS 358 HG2 0.08 -0.08 -0.05 -0.04 1.46 1.37 2wn5A1 LYS 358 HG3 0.06 -0.00 -0.01 -0.04 1.46 1.47 2wn5A1 LYS 358 HD2 0.07 0.09 -0.14 -0.04 1.69 1.67 2wn5A1 LYS 358 HD3 0.07 -0.03 -0.08 -0.04 1.68 1.60 2wn5A1 LYS 358 HE2 0.04 -0.02 -0.01 -0.04 2.99 2.96 2wn5A1 LYS 358 HE3 0.03 0.03 0.00 -0.04 2.99 3.02 2wn5A1 ARG 359 H 0.14 0.18 -0.29 -0.55 8.46 7.94 2wn5A1 ARG 359 HA 0.18 -0.05 0.42 -0.75 4.34 4.14 2wn5A1 ARG 359 HB2 0.13 0.14 0.04 -0.04 1.90 2.16 2wn5A1 ARG 359 HB3 0.10 0.15 -0.12 -0.04 1.80 1.89 2wn5A1 ARG 359 HG2 0.14 -0.08 -0.05 -0.04 1.67 1.64 2wn5A1 ARG 359 HG3 0.18 -0.11 -0.02 -0.04 1.67 1.68 2wn5A1 ARG 359 HD2 0.16 0.03 -0.11 -0.04 3.22 3.26 2wn5A1 ARG 359 HD3 0.08 0.04 -0.80 -0.04 3.22 2.50 2wn5A1 LYS 360 H 0.23 0.09 0.23 -0.55 8.42 8.41 2wn5A1 LYS 360 HA -0.05 0.20 0.56 -0.75 4.32 4.27 2wn5A1 LYS 360 HB2 -0.08 -0.03 0.13 -0.04 1.87 1.85 2wn5A1 LYS 360 HB3 0.00 0.00 0.24 -0.04 1.79 1.99 2wn5A1 LYS 360 HG2 -0.16 0.01 0.01 -0.04 1.46 1.28 2wn5A1 LYS 360 HG3 -0.14 0.10 0.09 -0.04 1.46 1.46 2wn5A1 LYS 360 HD2 -1.45 0.08 0.14 -0.04 1.69 0.43 2wn5A1 LYS 360 HD3 -0.45 -0.07 0.15 -0.04 1.68 1.27 2wn5A1 LYS 360 HE2 -0.24 -0.06 0.05 -0.04 2.99 2.70 2wn5A1 LYS 360 HE3 -0.31 -0.00 0.06 -0.04 2.99 2.69 2wn5A1 ILE 361 H 0.06 0.19 -0.04 -0.55 8.25 7.91 2wn5A1 ILE 361 HA -0.20 0.21 1.10 -0.75 4.18 4.54 2wn5A1 ILE 361 HB -0.02 0.02 0.05 -0.04 1.89 1.90 2wn5A1 ILE 361 HG12 -0.55 0.05 -0.12 -0.04 1.49 0.84 2wn5A1 ILE 361 HG13 0.10 -0.15 -0.44 -0.04 1.21 0.69 2wn5A1 ILE 361 HG23 -0.41 -0.00 -0.25 -0.04 0.93 0.23 2wn5A1 ILE 361 HD13 -0.19 0.01 -0.16 -0.04 0.88 0.50 2wn5A1 VAL 362 H -0.12 0.91 0.33 -0.55 8.24 8.81 2wn5A1 VAL 362 HA -0.03 0.23 1.04 -0.75 4.13 4.60 2wn5A1 VAL 362 HB -0.10 -0.04 0.18 -0.04 2.12 2.12 2wn5A1 VAL 362 HG13 0.17 -0.01 -0.23 -0.04 0.97 0.86 2wn5A1 VAL 362 HG23 -0.01 0.00 -0.13 -0.04 0.95 0.77 2wn5A1 LEU 363 H -0.03 0.82 0.32 -0.55 8.37 8.93 2wn5A1 LEU 363 HA -0.04 0.11 0.81 -0.75 4.35 4.48 2wn5A1 LEU 363 HB2 0.04 -0.03 0.02 -0.04 1.64 1.63 2wn5A1 LEU 363 HB3 -0.12 -0.07 0.22 -0.04 1.64 1.63 2wn5A1 LEU 363 HG -0.29 -0.00 -0.20 -0.04 1.64 1.10 2wn5A1 LEU 363 HD13 -0.02 0.04 -0.11 -0.04 0.93 0.80 2wn5A1 LEU 363 HD23 -0.31 -0.01 -0.12 -0.04 0.89 0.41 2wn5A1 ARG 364 H -0.07 0.80 0.30 -0.55 8.46 8.94 2wn5A1 ARG 364 HA -0.35 0.20 0.92 -0.75 4.34 4.35 2wn5A1 ARG 364 HB2 0.05 -0.05 -0.09 -0.04 1.90 1.77 2wn5A1 ARG 364 HB3 -0.05 -0.00 0.08 -0.04 1.80 1.79 2wn5A1 ARG 364 HG2 -0.21 -0.00 -0.21 -0.04 1.67 1.21 2wn5A1 ARG 364 HG3 -0.62 0.01 -0.12 -0.04 1.67 0.90 2wn5A1 ARG 364 HD2 0.29 -0.01 -0.13 -0.04 3.22 3.33 2wn5A1 ARG 364 HD3 0.03 -0.01 -0.11 -0.04 3.22 3.09 2wn5A1 ILE 365 H -0.31 0.70 0.30 -0.55 8.25 8.39 2wn5A1 ILE 365 HA -0.09 0.29 0.71 -0.75 4.18 4.34 2wn5A1 ILE 365 HB -0.15 -0.04 0.02 -0.04 1.89 1.68 2wn5A1 ILE 365 HG12 -0.40 0.01 -0.25 -0.04 1.49 0.81 2wn5A1 ILE 365 HG13 -0.27 -0.08 -0.41 -0.04 1.21 0.42 2wn5A1 ILE 365 HG23 0.15 -0.02 -0.36 -0.04 0.93 0.66 2wn5A1 ILE 365 HD13 -0.46 -0.01 -0.19 -0.04 0.88 0.18 2wn5A1 THR 366 H -0.04 0.71 0.45 -0.55 8.28 8.86 2wn5A1 THR 366 HA -0.08 0.16 0.95 -0.75 4.39 4.66 2wn5A1 THR 366 HB -0.03 0.00 0.19 -0.04 4.32 4.44 2wn5A1 THR 366 HG23 -0.04 -0.02 -0.27 -0.04 1.22 0.85 2wn5A1 ILE 367 H -0.04 0.80 0.27 -0.55 8.25 8.73 2wn5A1 ILE 367 HA 0.01 0.13 0.81 -0.75 4.18 4.38 2wn5A1 ILE 367 HB 0.00 -0.03 0.23 -0.04 1.89 2.05 2wn5A1 ILE 367 HG12 0.05 -0.00 -0.08 -0.04 1.49 1.41 2wn5A1 ILE 367 HG13 -0.00 -0.02 -0.15 -0.04 1.21 0.99 2wn5A1 ILE 367 HG23 0.03 0.03 -0.12 -0.04 0.93 0.84 2wn5A1 ILE 367 HD13 0.01 -0.01 -0.13 -0.04 0.88 0.71 2wn5A1 PRO 368 HA -0.01 -0.06 0.49 -0.51 4.44 4.35 2wn5A1 PRO 368 HB2 -0.01 0.06 -0.03 -0.04 2.28 2.26 2wn5A1 PRO 368 HB3 -0.01 -0.02 0.08 -0.04 2.02 2.03 2wn5A1 PRO 368 HG2 -0.03 0.16 0.13 -0.04 2.03 2.26 2wn5A1 PRO 368 HG3 -0.02 -0.02 0.08 -0.04 2.03 2.03 2wn5A1 PRO 368 HD2 -0.01 0.04 0.22 -0.04 3.68 3.89 2wn5A1 PRO 368 HD3 -0.01 0.30 0.39 -0.04 3.65 4.29 2wn5A1 LYS 369 H 0.01 -0.01 0.09 -0.55 8.42 7.96 2wn5A1 LYS 369 HA 0.05 0.16 0.12 -0.75 4.32 3.90 2wn5A1 LYS 369 HB2 0.03 -0.22 0.02 -0.04 1.87 1.66 2wn5A1 LYS 369 HB3 0.02 -0.02 0.04 -0.04 1.79 1.79 2wn5A1 LYS 369 HG2 0.04 0.04 -0.24 -0.04 1.46 1.25 2wn5A1 LYS 369 HG3 0.06 0.07 -0.51 -0.04 1.46 1.04 2wn5A1 LYS 369 HD2 0.03 -0.11 0.06 -0.04 1.69 1.63 2wn5A1 LYS 369 HD3 0.02 -0.07 -0.01 -0.04 1.68 1.58 2wn5A1 LYS 369 HE2 0.03 -0.07 -0.01 -0.04 2.99 2.89 2wn5A1 LYS 369 HE3 0.04 0.26 0.06 -0.04 2.99 3.32 2wn5A1 GLY 370 H 0.06 0.83 0.16 -0.55 8.43 8.94 2wn5A1 GLY 370 HA2 0.05 0.00 0.22 -0.51 4.01 3.77 2wn5A1 GLY 370 HA3 0.03 0.03 0.51 -0.51 4.01 4.07 2wn5A1 SER 371 H 0.04 0.34 -0.24 -0.55 8.46 8.06 2wn5A1 SER 371 HA 0.01 0.05 0.45 -0.75 4.49 4.24 2wn5A1 SER 371 HB2 0.03 -0.07 -0.01 -0.04 3.95 3.86 2wn5A1 SER 371 HB3 0.00 0.01 0.04 -0.04 3.93 3.94 2wn5A1 PRO 372 HA 0.07 0.22 0.55 -0.51 4.44 4.77 2wn5A1 PRO 372 HB2 0.05 -0.14 -0.01 -0.04 2.28 2.13 2wn5A1 PRO 372 HB3 0.07 0.02 -0.09 -0.04 2.02 1.98 2wn5A1 PRO 372 HG2 0.01 -0.00 0.06 -0.04 2.03 2.05 2wn5A1 PRO 372 HG3 0.03 0.06 0.07 -0.04 2.03 2.16 2wn5A1 PRO 372 HD2 -0.01 0.05 0.19 -0.04 3.68 3.88 2wn5A1 PRO 372 HD3 0.01 0.16 0.22 -0.04 3.65 4.00 2wn5A1 GLY 373 H 0.05 0.70 0.29 -0.55 8.43 8.92 2wn5A1 GLY 373 HA2 -0.04 0.12 0.44 -0.51 4.01 4.02 2wn5A1 GLY 373 HA3 -0.02 0.07 0.61 -0.51 4.01 4.16 2wn5A1 ALA 374 H -0.29 0.35 0.29 -0.55 8.40 8.21 2wn5A1 ALA 374 HA -1.30 0.20 0.58 -0.75 4.34 3.07 2wn5A1 ALA 374 HB3 -1.39 0.03 -0.08 -0.04 1.41 -0.07 2wn5A1 TYR 375 H -1.68 0.27 0.08 -0.55 8.29 6.41 2wn5A1 TYR 375 HA -0.26 0.25 0.91 -0.75 4.56 4.70 2wn5A1 TYR 375 HB2 -0.20 0.06 0.08 -0.04 3.06 2.96 2wn5A1 TYR 375 HB3 -0.22 0.07 0.18 -0.04 2.98 2.98 2wn5A1 TYR 375 HD2 0.06 0.05 -0.25 -0.04 7.15 6.97 2wn5A1 TYR 375 HE2 0.11 0.07 -0.28 -0.04 6.85 6.70 2wn5A1 LEU 376 H -0.35 0.38 0.16 -0.55 8.37 8.02 2wn5A1 LEU 376 HA -0.13 0.06 0.29 -0.75 4.35 3.81 2wn5A1 LEU 376 HB2 -0.15 0.01 0.03 -0.04 1.64 1.49 2wn5A1 LEU 376 HB3 -0.00 0.01 0.00 -0.04 1.64 1.61 2wn5A1 LEU 376 HG -0.19 0.02 -0.01 -0.04 1.64 1.42 2wn5A1 LEU 376 HD13 -0.01 -0.00 -0.08 -0.04 0.93 0.80 2wn5A1 LEU 376 HD23 -0.12 -0.01 -0.10 -0.04 0.89 0.62 2wn5A1 SER 377 H -0.68 0.22 -0.19 -0.55 8.46 7.27 2wn5A1 SER 377 HA -0.11 0.19 0.39 -0.75 4.49 4.20 2wn5A1 SER 377 HB2 -0.98 0.01 0.02 -0.04 3.95 2.95 2wn5A1 SER 377 HB3 -0.19 0.02 0.16 -0.04 3.93 3.88 2wn5A1 ALA 378 H 0.00 0.38 -0.63 -0.55 8.40 7.61 2wn5A1 ALA 378 HA 0.20 0.01 0.54 -0.75 4.34 4.33 2wn5A1 ALA 378 HB3 0.27 0.01 -0.16 -0.04 1.41 1.49 2wn5A1 ILE 379 H 0.11 0.46 -0.09 -0.55 8.25 8.18 2wn5A1 ILE 379 HA 0.09 0.11 0.74 -0.75 4.18 4.37 2wn5A1 ILE 379 HB 0.14 0.09 0.16 -0.04 1.89 2.24 2wn5A1 ILE 379 HG12 0.17 -0.02 0.03 -0.04 1.49 1.62 2wn5A1 ILE 379 HG13 0.32 -0.01 0.01 -0.04 1.21 1.48 2wn5A1 ILE 379 HG23 0.07 0.01 -0.10 -0.04 0.93 0.86 2wn5A1 ILE 379 HD13 0.25 -0.02 -0.01 -0.04 0.88 1.06 2wn5A1 PRO 380 HA -0.02 -0.03 0.34 -0.51 4.44 4.22 2wn5A1 PRO 380 HB2 -0.03 -0.01 0.06 -0.04 2.28 2.27 2wn5A1 PRO 380 HB3 -0.02 -0.02 0.07 -0.04 2.02 2.00 2wn5A1 PRO 380 HG2 0.01 -0.01 0.10 -0.04 2.03 2.09 2wn5A1 PRO 380 HG3 0.02 0.06 0.09 -0.04 2.03 2.16 2wn5A1 PRO 380 HD2 0.03 0.03 0.23 -0.04 3.68 3.92 2wn5A1 PRO 380 HD3 0.05 0.42 0.38 -0.04 3.65 4.45 2wn5A1 GLY 381 H -0.12 0.04 0.10 -0.55 8.43 7.90 2wn5A1 GLY 381 HA2 -0.35 -0.01 0.35 -0.51 4.01 3.49 2wn5A1 GLY 381 HA3 -0.43 0.17 0.48 -0.51 4.01 3.72 2wn5A1 TYR 382 H -0.07 0.31 0.06 -0.55 8.29 8.04 2wn5A1 TYR 382 HA -0.03 0.20 0.72 -0.75 4.56 4.69 2wn5A1 TYR 382 HB2 -0.04 0.02 -0.07 -0.04 3.06 2.93 2wn5A1 TYR 382 HB3 -0.03 0.03 0.03 -0.04 2.98 2.97 2wn5A1 TYR 382 HD2 0.00 -0.02 -0.08 -0.04 7.15 7.02 2wn5A1 TYR 382 HE2 0.02 -0.04 -0.12 -0.04 6.85 6.67 2wn5A1 GLU 385 HA -0.22 0.05 -2.92 -0.75 4.29 0.43 2wn5A1 TYR 386 H -0.38 0.14 0.02 -0.55 8.29 7.52 2wn5A1 TYR 386 HA 0.11 0.01 0.30 -0.75 4.56 4.22 2wn5A1 TYR 386 HB2 0.09 0.14 0.08 -0.04 3.06 3.33 2wn5A1 TYR 386 HB3 0.17 -0.08 0.15 -0.04 2.98 3.18 2wn5A1 TYR 386 HD2 0.13 0.08 -0.12 -0.04 7.15 7.19 2wn5A1 TYR 386 HE2 0.06 0.01 -0.08 -0.04 6.85 6.80 2wn5A1 GLU 387 H -0.30 0.00 -0.04 -0.55 8.60 7.72 2wn5A1 GLU 387 HA -0.02 0.42 0.57 -0.75 4.29 4.51 2wn5A1 GLU 387 HB2 -0.07 0.15 -0.06 -0.04 2.09 2.07 2wn5A1 GLU 387 HB3 -0.16 -0.15 0.05 -0.04 1.99 1.69 2wn5A1 GLU 387 HG2 -0.11 -0.13 -0.41 -0.04 2.34 1.65 2wn5A1 GLU 387 HG3 -0.06 0.17 -0.03 -0.04 2.34 2.38 2wn5A1 VAL 388 H -0.00 0.62 0.23 -0.55 8.24 8.53 2wn5A1 VAL 388 HA -0.11 0.24 0.99 -0.75 4.13 4.49 2wn5A1 VAL 388 HB 0.04 -0.03 -0.05 -0.04 2.12 2.04 2wn5A1 VAL 388 HG13 -0.01 0.01 -0.26 -0.04 0.97 0.67 2wn5A1 VAL 388 HG23 0.25 -0.01 -0.21 -0.04 0.95 0.94 2wn5A1 LEU 389 H -0.18 0.47 0.29 -0.55 8.37 8.40 2wn5A1 LEU 389 HA -0.04 0.25 0.95 -0.75 4.35 4.76 2wn5A1 LEU 389 HB2 -0.11 -0.07 -0.00 -0.04 1.64 1.42 2wn5A1 LEU 389 HB3 -0.15 -0.02 0.06 -0.04 1.64 1.49 2wn5A1 LEU 389 HG 0.01 0.16 -0.19 -0.04 1.64 1.57 2wn5A1 LEU 389 HD13 0.04 -0.00 -0.26 -0.04 0.93 0.67 2wn5A1 LEU 389 HD23 -0.54 -0.02 -0.13 -0.04 0.89 0.15 2wn5A1 LEU 390 H 0.03 0.58 0.27 -0.55 8.37 8.71 2wn5A1 LEU 390 HA 0.04 0.23 0.85 -0.75 4.35 4.71 2wn5A1 LEU 390 HB2 0.08 -0.03 0.05 -0.04 1.64 1.69 2wn5A1 LEU 390 HB3 0.07 0.04 0.04 -0.04 1.64 1.75 2wn5A1 LEU 390 HG 0.01 -0.03 -0.29 -0.04 1.64 1.29 2wn5A1 LEU 390 HD13 0.12 -0.01 -0.13 -0.04 0.93 0.88 2wn5A1 LEU 390 HD23 0.03 0.03 -0.04 -0.04 0.89 0.86 2wn5A1 ASN 391 H 0.06 0.22 0.04 -0.55 8.53 8.30 2wn5A1 ASN 391 HA 0.33 -0.06 0.18 -0.75 4.76 4.45 2wn5A1 ASN 391 HB2 0.09 -0.00 0.04 -0.04 2.88 2.96 2wn5A1 ASN 391 HB3 -0.02 0.06 0.01 -0.04 2.79 2.80 2wn5A1 ASN 391 HD21 -0.02 -0.06 -0.02 -0.04 7.03 6.89 2wn5A1 ASN 391 HD22 -0.05 0.01 -0.05 -0.04 7.74 7.62 2wn5A1 HIS 392 H -0.39 -0.01 0.09 -0.55 8.41 7.56 2wn5A1 HIS 392 HA -0.31 0.31 0.10 -0.75 4.63 3.98 2wn5A1 HIS 392 HB2 -0.49 0.33 -0.00 -0.04 3.26 3.05 2wn5A1 HIS 392 HB3 -2.00 -0.17 -0.00 -0.04 3.20 0.98 2wn5A1 HIS 392 HD2 -0.14 0.07 -0.05 -0.04 6.97 6.80 2wn5A1 HIS 392 HE1 0.02 -0.02 -0.04 -0.04 7.75 7.67 2wn5A1 GLY 393 H -0.07 0.40 0.09 -0.55 8.43 8.30 2wn5A1 GLY 393 HA2 -0.10 -0.02 0.35 -0.51 4.01 3.72 2wn5A1 GLY 393 HA3 -0.26 -0.01 0.50 -0.51 4.01 3.73 2wn5A1 SER 394 H -0.09 0.21 -0.21 -0.55 8.46 7.83 2wn5A1 SER 394 HA -0.22 0.06 0.40 -0.75 4.49 3.98 2wn5A1 SER 394 HB2 -0.06 -0.03 0.04 -0.04 3.95 3.85 2wn5A1 SER 394 HB3 -0.67 -0.03 -0.05 -0.04 3.93 3.14 2wn5A1 LYS 395 H -0.39 0.25 0.26 -0.55 8.42 7.99 2wn5A1 LYS 395 HA -0.09 0.22 0.93 -0.75 4.32 4.61 2wn5A1 LYS 395 HB2 -0.11 0.06 -0.00 -0.04 1.87 1.77 2wn5A1 LYS 395 HB3 -0.15 0.09 0.16 -0.04 1.79 1.85 2wn5A1 LYS 395 HG2 -0.02 -0.03 -0.20 -0.04 1.46 1.17 2wn5A1 LYS 395 HG3 -0.01 -0.02 -0.12 -0.04 1.46 1.26 2wn5A1 LYS 395 HD2 -0.06 0.08 -0.04 -0.04 1.69 1.63 2wn5A1 LYS 395 HD3 -0.03 -0.03 -0.09 -0.04 1.68 1.48 2wn5A1 LYS 395 HE2 -0.00 -0.03 -0.06 -0.04 2.99 2.86 2wn5A1 LYS 395 HE3 -0.02 0.00 -0.07 -0.04 2.99 2.87 2wn5A1 PHE 396 H 0.15 0.63 0.26 -0.55 8.34 8.84 2wn5A1 PHE 396 HA -0.01 0.30 1.04 -0.75 4.62 5.20 2wn5A1 PHE 396 HB2 0.03 -0.03 0.06 -0.04 3.15 3.18 2wn5A1 PHE 396 HB3 -0.00 -0.04 -0.20 -0.04 3.06 2.78 2wn5A1 PHE 396 HD2 0.04 0.10 -0.24 -0.04 7.28 7.15 2wn5A1 PHE 396 HE2 -0.12 0.00 -0.19 -0.04 7.38 7.03 2wn5A1 PHE 396 HZ -0.18 -0.03 -0.16 -0.04 7.32 6.91 2wn5A1 LYS 397 H 0.07 0.63 0.32 -0.55 8.42 8.88 2wn5A1 LYS 397 HA 0.09 0.19 0.75 -0.75 4.32 4.59 2wn5A1 LYS 397 HB2 0.01 -0.03 0.07 -0.04 1.87 1.88 2wn5A1 LYS 397 HB3 0.01 -0.06 0.20 -0.04 1.79 1.89 2wn5A1 LYS 397 HG2 0.01 -0.00 -0.36 -0.04 1.46 1.07 2wn5A1 LYS 397 HG3 0.03 0.10 -0.14 -0.04 1.46 1.42 2wn5A1 LYS 397 HD2 -0.01 -0.08 -0.00 -0.04 1.69 1.56 2wn5A1 LYS 397 HD3 -0.04 -0.04 0.00 -0.04 1.68 1.57 2wn5A1 LYS 397 HE2 -0.01 0.05 -0.04 -0.04 2.99 2.94 2wn5A1 LYS 397 HE3 0.01 0.06 -0.02 -0.04 2.99 3.00 2wn5A1 ILE 398 H 0.12 0.76 0.27 -0.55 8.25 8.86 2wn5A1 ILE 398 HA 0.08 0.04 0.69 -0.75 4.18 4.24 2wn5A1 ILE 398 HB 0.19 0.25 0.17 -0.04 1.89 2.46 2wn5A1 ILE 398 HG12 0.12 -0.10 -0.17 -0.04 1.49 1.30 2wn5A1 ILE 398 HG13 0.16 0.07 -0.06 -0.04 1.21 1.34 2wn5A1 ILE 398 HG23 0.14 -0.06 -0.30 -0.04 0.93 0.68 2wn5A1 ILE 398 HD13 0.23 -0.00 -0.11 -0.04 0.88 0.96 2wn5A1 ASN 399 H 0.02 0.69 0.50 -0.55 8.53 9.19 2wn5A1 ASN 399 HA -0.02 0.13 0.62 -0.75 4.76 4.74 2wn5A1 ASN 399 HB2 -0.06 -0.04 0.22 -0.04 2.88 2.96 2wn5A1 ASN 399 HB3 -0.48 -0.02 0.04 -0.04 2.79 2.30 2wn5A1 ASN 399 HD21 -0.09 -0.14 -0.02 -0.04 7.03 6.75 2wn5A1 ASN 399 HD22 -0.07 -0.06 -0.15 -0.04 7.74 7.42 2wn5A1 LYS 400 H 0.09 0.32 0.23 -0.55 8.42 8.51 2wn5A1 LYS 400 HA 0.15 0.09 0.69 -0.75 4.32 4.50 2wn5A1 LYS 400 HB2 0.30 0.16 -0.14 -0.04 1.87 2.15 2wn5A1 LYS 400 HB3 0.22 -0.09 -0.06 -0.04 1.79 1.83 2wn5A1 LYS 400 HG2 0.05 0.05 -0.05 -0.04 1.46 1.47 2wn5A1 LYS 400 HG3 0.05 -0.10 -0.43 -0.04 1.46 0.94 2wn5A1 LYS 400 HD2 0.06 -0.09 0.08 -0.04 1.69 1.69 2wn5A1 LYS 400 HD3 0.03 -0.01 -0.09 -0.04 1.68 1.57 2wn5A1 LYS 400 HE2 -0.06 -0.06 0.01 -0.04 2.99 2.83 2wn5A1 LYS 400 HE3 -0.02 -0.12 -0.20 -0.04 2.99 2.62 2wn5A1 ILE 401 H 0.08 0.23 0.19 -0.55 8.25 8.20 2wn5A1 ILE 401 HA 0.01 0.30 1.06 -0.75 4.18 4.79 2wn5A1 ILE 401 HB 0.09 -0.04 0.10 -0.04 1.89 2.01 2wn5A1 ILE 401 HG12 0.10 -0.01 -0.06 -0.04 1.49 1.48 2wn5A1 ILE 401 HG13 0.12 -0.06 -0.45 -0.04 1.21 0.78 2wn5A1 ILE 401 HG23 -0.05 -0.01 -0.15 -0.04 0.93 0.68 2wn5A1 ILE 401 HD13 0.31 0.00 -0.14 -0.04 0.88 1.01 2wn5A1 ASP 402 H -0.06 0.57 0.34 -0.55 8.40 8.70 2wn5A1 ASP 402 HA -0.04 0.16 0.85 -0.75 4.63 4.84 2wn5A1 ASP 402 HB2 -0.04 0.04 -0.05 -0.04 2.71 2.62 2wn5A1 ASP 402 HB3 -0.07 -0.01 0.00 -0.04 2.70 2.58 2wn5A1 SER 403 H -0.04 0.21 0.21 -0.55 8.46 8.30 2wn5A1 SER 403 HA -0.10 0.31 1.06 -0.75 4.49 5.00 2wn5A1 SER 403 HB2 -0.13 0.06 0.05 -0.04 3.95 3.88 2wn5A1 SER 403 HB3 -0.14 0.00 -0.16 -0.04 3.93 3.59 2wn5A1 TYR 404 H -0.21 0.65 0.34 -0.55 8.29 8.52 2wn5A1 TYR 404 HA -0.04 0.07 0.58 -0.75 4.56 4.41 2wn5A1 TYR 404 HB2 -0.03 -0.02 0.06 -0.04 3.06 3.03 2wn5A1 TYR 404 HB3 -0.13 0.06 -0.20 -0.04 2.98 2.66 2wn5A1 TYR 404 HD2 -0.20 0.04 -0.29 -0.04 7.15 6.65 2wn5A1 TYR 404 HE2 -0.55 0.01 -0.31 -0.04 6.85 5.96 2wn5A1 LYS 405 H 0.13 0.13 0.11 -0.55 8.42 8.23 2wn5A1 LYS 405 HA -0.12 0.22 0.74 -0.75 4.32 4.40 2wn5A1 LYS 405 HB2 0.08 -0.08 0.09 -0.04 1.87 1.93 2wn5A1 LYS 405 HB3 0.05 0.23 -0.12 -0.04 1.79 1.90 2wn5A1 LYS 405 HG2 -0.01 -0.07 -0.19 -0.04 1.46 1.15 2wn5A1 LYS 405 HG3 0.02 -0.03 -0.07 -0.04 1.46 1.34 2wn5A1 LYS 405 HD2 -0.01 0.08 -0.29 -0.04 1.69 1.43 2wn5A1 LYS 405 HD3 -0.05 0.01 -0.62 -0.04 1.68 0.98 2wn5A1 LYS 405 HE2 -0.02 -0.04 -0.12 -0.04 2.99 2.78 2wn5A1 LYS 405 HE3 -0.01 -0.04 -0.06 -0.04 2.99 2.84 2wn5A1 ASP 406 H -0.11 0.93 0.11 -0.55 8.40 8.78 2wn5A1 ASP 406 HA 0.46 0.07 0.73 -0.75 4.63 5.14 2wn5A1 ASP 406 HB2 -0.15 0.05 -0.05 -0.04 2.71 2.52 2wn5A1 ASP 406 HB3 -0.04 0.03 0.17 -0.04 2.70 2.82 2wn5A1 GLY 407 H 0.16 0.17 -0.08 -0.55 8.43 8.13 2wn5A1 GLY 407 HA2 0.06 0.03 0.29 -0.51 4.01 3.87 2wn5A1 GLY 407 HA3 0.06 0.04 0.68 -0.51 4.01 4.28 2wn5A1 THR 408 H 0.02 0.14 0.16 -0.55 8.28 8.05 2wn5A1 THR 408 HA 0.00 0.17 0.63 -0.75 4.39 4.44 2wn5A1 THR 408 HB -0.01 0.01 0.11 -0.04 4.32 4.39 2wn5A1 THR 408 HG23 0.01 -0.01 -0.01 -0.04 1.22 1.17 2wn5A1 ILE 409 H -0.01 0.29 -0.20 -0.55 8.25 7.78 2wn5A1 ILE 409 HA -0.06 0.05 0.57 -0.75 4.18 3.99 2wn5A1 ILE 409 HB -0.06 0.10 0.12 -0.04 1.89 2.01 2wn5A1 ILE 409 HG12 -0.01 -0.14 0.09 -0.04 1.49 1.39 2wn5A1 ILE 409 HG13 -0.02 0.05 0.04 -0.04 1.21 1.24 2wn5A1 ILE 409 HG23 -0.11 0.04 -0.13 -0.04 0.93 0.69 2wn5A1 ILE 409 HD13 -0.04 0.00 -0.05 -0.04 0.88 0.75 2wn5A1 THR 410 H -0.08 0.08 0.11 -0.55 8.28 7.84 2wn5A1 THR 410 HA -0.19 0.20 0.72 -0.75 4.39 4.37 2wn5A1 THR 410 HB -0.03 -0.15 -0.25 -0.04 4.32 3.85 2wn5A1 THR 410 HG23 -0.12 0.02 -0.17 -0.04 1.22 0.91 2wn5A1 LYS 411 H -0.56 0.63 0.37 -0.55 8.42 8.30 2wn5A1 LYS 411 HA -0.23 0.22 0.91 -0.75 4.32 4.48 2wn5A1 LYS 411 HB2 -1.05 -0.06 -0.01 -0.04 1.87 0.71 2wn5A1 LYS 411 HB3 -0.31 0.06 0.02 -0.04 1.79 1.53 2wn5A1 LYS 411 HG2 -0.16 -0.01 0.05 -0.04 1.46 1.30 2wn5A1 LYS 411 HG3 -0.27 -0.09 -0.38 -0.04 1.46 0.69 2wn5A1 LYS 411 HD2 -0.22 -0.10 -0.08 -0.04 1.69 1.25 2wn5A1 LYS 411 HD3 -0.10 0.08 -0.05 -0.04 1.68 1.57 2wn5A1 LYS 411 HE2 -0.04 0.15 -0.21 -0.04 2.99 2.84 2wn5A1 LYS 411 HE3 -0.07 -0.12 -0.07 -0.04 2.99 2.69 2wn5A1 LEU 412 H -0.31 0.73 0.43 -0.55 8.37 8.67 2wn5A1 LEU 412 HA -0.27 0.25 1.18 -0.75 4.35 4.76 2wn5A1 LEU 412 HB2 -0.60 -0.07 0.10 -0.04 1.64 1.02 2wn5A1 LEU 412 HB3 -0.44 0.06 0.03 -0.04 1.64 1.24 2wn5A1 LEU 412 HG -1.34 -0.00 -0.12 -0.04 1.64 0.14 2wn5A1 LEU 412 HD13 -1.71 -0.01 -0.09 -0.04 0.93 -0.92 2wn5A1 LEU 412 HD23 -0.54 0.01 -0.19 -0.04 0.89 0.13 2wn5A1 ILE 413 H -0.15 0.62 0.26 -0.55 8.25 8.43 2wn5A1 ILE 413 HA -0.16 0.28 0.99 -0.75 4.18 4.55 2wn5A1 ILE 413 HB -0.18 -0.08 0.09 -0.04 1.89 1.67 2wn5A1 ILE 413 HG12 -0.86 0.04 -0.12 -0.04 1.49 0.50 2wn5A1 ILE 413 HG13 -0.20 -0.08 -0.42 -0.04 1.21 0.48 2wn5A1 ILE 413 HG23 -0.12 0.01 -0.18 -0.04 0.93 0.60 2wn5A1 ILE 413 HD13 -0.83 -0.01 -0.17 -0.04 0.88 -0.17 2wn5A1 VAL 414 H -0.08 0.81 0.32 -0.55 8.24 8.74 2wn5A1 VAL 414 HA -0.01 0.17 0.90 -0.75 4.13 4.43 2wn5A1 VAL 414 HB -0.00 -0.07 0.15 -0.04 2.12 2.15 2wn5A1 VAL 414 HG13 0.09 0.01 -0.20 -0.04 0.97 0.82 2wn5A1 VAL 414 HG23 -0.12 -0.00 -0.17 -0.04 0.95 0.61 2wn5A1 ASP 415 H 0.02 0.74 0.39 -0.55 8.40 9.00 2wn5A1 ASP 415 HA -0.03 0.16 0.74 -0.75 4.63 4.75 2wn5A1 ASP 415 HB2 0.01 -0.02 0.11 -0.04 2.71 2.77 2wn5A1 ASP 415 HB3 0.05 0.06 0.37 -0.04 2.70 3.13 2wn5A1 ALA 416 H -0.04 0.78 0.44 -0.55 8.40 9.03 2wn5A1 ALA 416 HA 0.03 0.28 1.14 -0.75 4.34 5.03 2wn5A1 ALA 416 HB3 0.04 -0.03 -0.23 -0.04 1.41 1.14 2wn5A1 THR 417 H 0.05 0.71 0.35 -0.55 8.28 8.85 2wn5A1 THR 417 HA 0.03 0.12 1.12 -0.75 4.39 4.90 2wn5A1 THR 417 HB -0.02 -0.02 0.17 -0.04 4.32 4.42 2wn5A1 THR 417 HG23 -0.02 0.05 -0.05 -0.04 1.22 1.16 2wn5A1 LEU 418 H 0.07 0.55 0.27 -0.55 8.37 8.71 2wn5A1 LEU 418 HA -0.22 0.15 0.77 -0.75 4.35 4.29 2wn5A1 LEU 418 HB2 0.09 -0.07 0.07 -0.04 1.64 1.69 2wn5A1 LEU 418 HB3 -0.01 0.02 0.29 -0.04 1.64 1.90 2wn5A1 LEU 418 HG -0.14 0.02 -0.18 -0.04 1.64 1.31 2wn5A1 LEU 418 HD13 -0.57 0.04 0.04 -0.04 0.93 0.40 2wn5A1 LEU 418 HD23 -0.02 -0.02 0.01 -0.04 0.89 0.81 2wn5A1 ILE 419 H -0.20 0.64 0.44 -0.55 8.25 8.57 2wn5A1 ILE 419 HA -0.06 0.20 1.01 -0.75 4.18 4.57 2wn5A1 ILE 419 HB -0.05 -0.05 0.03 -0.04 1.89 1.78 2wn5A1 ILE 419 HG12 -0.08 0.06 0.01 -0.04 1.49 1.44 2wn5A1 ILE 419 HG13 -0.09 0.01 -0.00 -0.04 1.21 1.09 2wn5A1 ILE 419 HG23 -0.03 0.02 -0.12 -0.04 0.93 0.76 2wn5A1 ILE 419 HD13 -0.02 -0.02 -0.09 -0.04 0.88 0.72 2wn5A1 PRO 420 HA -0.07 0.16 0.40 -0.51 4.44 4.42 2wn5A1 PRO 420 HB2 -0.03 -0.00 0.07 -0.04 2.28 2.27 2wn5A1 PRO 420 HB3 -0.03 0.06 0.04 -0.04 2.02 2.05 2wn5A1 PRO 420 HG2 -0.03 0.00 0.07 -0.04 2.03 2.03 2wn5A1 PRO 420 HG3 -0.03 0.04 0.05 -0.04 2.03 2.06 2wn5A1 PRO 420 HD2 -0.04 0.09 0.20 -0.04 3.68 3.89 2wn5A1 PRO 420 HD3 -0.04 0.20 0.14 -0.04 3.65 3.91