============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 18 0.840 42.562 130.619 37.295 -99.200 -91.000 HIS 63 0.900 27.435 119.547 14.610 -99.200 -91.000 HIS 65 0.900 26.349 114.051 13.857 -99.200 -91.000 TYR 75 0.840 29.248 103.233 -1.013 -99.200 -91.000 TYR 80 0.840 30.451 97.433 11.563 -99.200 -91.000 PHE 84 1.000 28.918 98.238 15.283 -99.200 -91.000 TRP 85 1.040 25.558 101.568 12.743 -99.200 -91.000 TRP6 85 1.020 27.802 102.260 12.459 -99.200 -91.000 PHE 101 1.000 34.221 118.060 25.769 -99.200 -91.000 TYR 112 0.840 12.566 108.528 16.404 -99.200 -91.000 TYR 125 0.840 18.144 100.906 33.584 -99.200 -91.000 PHE 138 1.000 13.279 118.302 9.325 -99.200 -91.000 HIS 144 0.900 25.480 117.176 4.717 -99.200 -91.000 PHE 149 1.000 27.972 109.074 -0.197 -99.200 -91.000 PHE 150 1.000 23.285 103.557 -0.186 -99.200 -91.000 PHE 160 1.000 11.249 111.956 10.734 -99.200 -91.000 TYR 178 0.840 6.912 108.719 17.559 -99.200 -91.000 PHE 191 1.000 33.071 114.063 6.041 -99.200 -91.000 TYR 204 0.840 12.519 133.879 5.434 -99.200 -91.000 HIS 215 0.900 12.197 129.616 17.923 -99.200 -91.000 HIS 224 0.900 25.296 120.763 6.908 -99.200 -91.000 HIS 226 0.900 29.648 123.100 5.574 -99.200 -91.000 HIS 244 0.900 28.939 121.680 9.850 -99.200 -91.000 TYR 262 0.840 23.717 131.527 21.372 -99.200 -91.000 PHE 263 1.000 27.656 132.481 12.653 -99.200 -91.000 TYR 268 0.840 40.774 118.045 15.902 -99.200 -91.000 TYR 272 0.840 40.126 111.035 12.408 -99.200 -91.000 PHE 301 1.000 36.389 130.578 16.099 -99.200 -91.000 TYR 313 0.840 34.892 122.850 22.166 -99.200 -91.000 TYR 320 0.840 36.449 115.058 16.888 -99.200 -91.000 HIS 322 0.900 31.714 109.907 18.997 -99.200 -91.000 PHE 329 1.000 37.775 123.445 24.901 -99.200 -91.000 TYR 335 0.840 42.846 129.327 12.227 -99.200 -91.000 TYR 368 0.840 21.320 118.629 36.599 -99.200 -91.000 PHE 390 1.000 36.755 115.722 40.226 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3gnhA1 GLU 28 HA 0.01 -0.04 0.24 -0.75 4.29 3.75 3gnhA1 GLU 28 HB2 0.00 0.02 0.08 -0.04 2.09 2.15 3gnhA1 GLU 28 HB3 0.01 -0.10 0.16 -0.04 1.99 2.02 3gnhA1 GLU 28 HG2 0.01 0.04 -0.04 -0.04 2.34 2.30 3gnhA1 GLU 28 HG3 0.01 -0.03 -0.22 -0.04 2.34 2.06 3gnhA1 ILE 29 H 0.01 0.20 0.13 -0.55 8.25 8.04 3gnhA1 ILE 29 HA 0.02 0.42 1.27 -0.75 4.18 5.13 3gnhA1 ILE 29 HB 0.01 -0.03 -0.06 -0.04 1.89 1.77 3gnhA1 ILE 29 HG12 0.01 0.01 -0.14 -0.04 1.49 1.34 3gnhA1 ILE 29 HG13 0.01 -0.00 -0.34 -0.04 1.21 0.84 3gnhA1 ILE 29 HG23 0.01 -0.01 -0.20 -0.04 0.93 0.68 3gnhA1 ILE 29 HD13 0.00 0.01 -0.13 -0.04 0.88 0.73 3gnhA1 LYS 30 H 0.02 0.58 0.39 -0.55 8.42 8.86 3gnhA1 LYS 30 HA 0.02 0.27 1.07 -0.75 4.32 4.92 3gnhA1 LYS 30 HB2 0.04 -0.10 0.13 -0.04 1.87 1.90 3gnhA1 LYS 30 HB3 0.05 0.01 -0.01 -0.04 1.79 1.79 3gnhA1 LYS 30 HG2 0.03 -0.07 -0.18 -0.04 1.46 1.20 3gnhA1 LYS 30 HG3 0.05 0.26 0.03 -0.04 1.46 1.76 3gnhA1 LYS 30 HD2 0.04 0.01 -0.02 -0.04 1.69 1.68 3gnhA1 LYS 30 HD3 0.02 0.02 -0.10 -0.04 1.68 1.58 3gnhA1 LYS 30 HE2 0.05 -0.03 0.01 -0.04 2.99 2.98 3gnhA1 LYS 30 HE3 0.03 -0.05 -0.02 -0.04 2.99 2.91 3gnhA1 ALA 31 H 0.01 0.79 0.19 -0.55 8.40 8.84 3gnhA1 ALA 31 HA 0.00 0.18 0.80 -0.75 4.34 4.57 3gnhA1 ALA 31 HB3 -0.01 -0.02 -0.13 -0.04 1.41 1.21 3gnhA1 VAL 32 H -0.00 0.85 0.17 -0.55 8.24 8.71 3gnhA1 VAL 32 HA -0.07 0.33 1.01 -0.75 4.13 4.65 3gnhA1 VAL 32 HB -0.00 -0.06 0.09 -0.04 2.12 2.10 3gnhA1 VAL 32 HG13 -0.21 0.00 -0.21 -0.04 0.97 0.51 3gnhA1 VAL 32 HG23 0.07 0.00 -0.15 -0.04 0.95 0.83 3gnhA1 SER 33 H -0.10 0.58 0.39 -0.55 8.46 8.79 3gnhA1 SER 33 HA -0.05 0.44 1.02 -0.75 4.49 5.14 3gnhA1 SER 33 HB2 -0.05 0.05 0.06 -0.04 3.95 3.97 3gnhA1 SER 33 HB3 -0.04 -0.05 -0.07 -0.04 3.93 3.73 3gnhA1 ALA 34 H -0.06 0.52 0.22 -0.55 8.40 8.54 3gnhA1 ALA 34 HA -0.09 0.24 0.61 -0.75 4.34 4.34 3gnhA1 ALA 34 HB3 -0.09 0.06 -0.01 -0.04 1.41 1.33 3gnhA1 ALA 35 H -0.07 0.41 0.34 -0.55 8.40 8.54 3gnhA1 ALA 35 HA -0.06 0.03 0.63 -0.75 4.34 4.19 3gnhA1 ALA 35 HB3 -0.07 -0.03 0.08 -0.04 1.41 1.34 3gnhA1 ARG 36 H -0.08 0.41 0.23 -0.55 8.46 8.47 3gnhA1 ARG 36 HA -0.05 0.28 0.87 -0.75 4.34 4.68 3gnhA1 ARG 36 HB2 -0.24 -0.04 -0.08 -0.04 1.90 1.49 3gnhA1 ARG 36 HB3 -0.19 -0.04 -0.01 -0.04 1.80 1.53 3gnhA1 ARG 36 HG2 -0.14 0.06 -0.08 -0.04 1.67 1.47 3gnhA1 ARG 36 HG3 -0.17 -0.08 -0.49 -0.04 1.67 0.88 3gnhA1 ARG 36 HD2 -0.70 -0.04 -0.10 -0.04 3.22 2.34 3gnhA1 ARG 36 HD3 -0.30 -0.00 -0.10 -0.04 3.22 2.78 3gnhA1 LEU 37 H 0.04 0.46 0.34 -0.55 8.37 8.66 3gnhA1 LEU 37 HA 0.04 0.17 0.92 -0.75 4.35 4.72 3gnhA1 LEU 37 HB2 0.01 0.02 -0.07 -0.04 1.64 1.57 3gnhA1 LEU 37 HB3 0.03 0.02 0.09 -0.04 1.64 1.74 3gnhA1 LEU 37 HG 0.04 -0.05 -0.50 -0.04 1.64 1.09 3gnhA1 LEU 37 HD13 0.03 0.02 -0.11 -0.04 0.93 0.84 3gnhA1 LEU 37 HD23 0.02 0.01 -0.10 -0.04 0.89 0.78 3gnhA1 LEU 38 H 0.09 0.75 0.25 -0.55 8.37 8.91 3gnhA1 LEU 38 HA 0.14 0.13 0.82 -0.75 4.35 4.68 3gnhA1 LEU 38 HB2 0.22 -0.05 -0.05 -0.04 1.64 1.72 3gnhA1 LEU 38 HB3 0.05 0.08 0.17 -0.04 1.64 1.91 3gnhA1 LEU 38 HG -0.04 -0.08 -0.58 -0.04 1.64 0.90 3gnhA1 LEU 38 HD13 -0.29 0.01 -0.29 -0.04 0.93 0.32 3gnhA1 LEU 38 HD23 -0.05 -0.01 -0.15 -0.04 0.89 0.64 3gnhA1 ASP 39 H -0.01 0.73 0.26 -0.55 8.40 8.83 3gnhA1 ASP 39 HA 0.00 0.12 0.69 -0.75 4.63 4.68 3gnhA1 ASP 39 HB2 0.00 0.12 0.11 -0.04 2.71 2.91 3gnhA1 ASP 39 HB3 -0.02 -0.03 0.30 -0.04 2.70 2.91 3gnhA1 VAL 40 H -0.01 0.27 0.17 -0.55 8.24 8.13 3gnhA1 VAL 40 HA -0.04 0.09 0.38 -0.75 4.13 3.80 3gnhA1 VAL 40 HB -0.01 -0.03 0.11 -0.04 2.12 2.15 3gnhA1 VAL 40 HG13 -0.03 0.04 0.01 -0.04 0.97 0.95 3gnhA1 VAL 40 HG23 -0.00 0.05 0.14 -0.04 0.95 1.09 3gnhA1 ALA 41 H -0.01 0.02 -0.23 -0.55 8.40 7.63 3gnhA1 ALA 41 HA -0.00 0.16 0.55 -0.75 4.34 4.30 3gnhA1 ALA 41 HB3 -0.00 0.01 0.05 -0.04 1.41 1.43 3gnhA1 SER 42 H -0.02 -0.01 -0.08 -0.55 8.46 7.81 3gnhA1 SER 42 HA -0.02 0.21 0.65 -0.75 4.49 4.58 3gnhA1 SER 42 HB2 -0.02 0.04 0.07 -0.04 3.95 4.00 3gnhA1 SER 42 HB3 -0.01 0.01 0.05 -0.04 3.93 3.94 3gnhA1 GLY 43 H -0.05 0.43 -0.07 -0.55 8.43 8.20 3gnhA1 GLY 43 HA2 -0.10 -0.01 0.25 -0.51 4.01 3.63 3gnhA1 GLY 43 HA3 -0.07 0.08 0.46 -0.51 4.01 3.97 3gnhA1 LYS 44 H -0.07 0.02 -0.14 -0.55 8.42 7.68 3gnhA1 LYS 44 HA -0.15 0.19 0.93 -0.75 4.32 4.53 3gnhA1 LYS 44 HB2 -0.02 -0.06 -0.01 -0.04 1.87 1.73 3gnhA1 LYS 44 HB3 -0.01 0.08 0.04 -0.04 1.79 1.85 3gnhA1 LYS 44 HG2 -0.04 0.03 -0.10 -0.04 1.46 1.31 3gnhA1 LYS 44 HG3 -0.04 0.11 -0.29 -0.04 1.46 1.20 3gnhA1 LYS 44 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.57 3gnhA1 LYS 44 HD3 -0.01 0.00 -0.01 -0.04 1.68 1.62 3gnhA1 LYS 44 HE2 -0.02 -0.00 -0.01 -0.04 2.99 2.91 3gnhA1 LYS 44 HE3 -0.02 0.06 -0.01 -0.04 2.99 2.98 3gnhA1 TYR 45 H 0.01 0.14 0.17 -0.55 8.29 8.05 3gnhA1 TYR 45 HA -0.01 0.22 0.82 -0.75 4.56 4.83 3gnhA1 TYR 45 HB2 -0.01 -0.02 0.09 -0.04 3.06 3.08 3gnhA1 TYR 45 HB3 -0.01 0.02 -0.09 -0.04 2.98 2.86 3gnhA1 TYR 45 HD2 -0.02 0.05 -0.14 -0.04 7.15 7.01 3gnhA1 TYR 45 HE2 -0.02 0.00 -0.10 -0.04 6.85 6.69 3gnhA1 VAL 46 H 0.14 0.62 0.39 -0.55 8.24 8.83 3gnhA1 VAL 46 HA 0.04 0.12 0.85 -0.75 4.13 4.39 3gnhA1 VAL 46 HB 0.04 -0.04 0.16 -0.04 2.12 2.23 3gnhA1 VAL 46 HG13 0.01 0.04 -0.11 -0.04 0.97 0.87 3gnhA1 VAL 46 HG23 0.03 0.01 -0.10 -0.04 0.95 0.85 3gnhA1 ASP 47 H 0.02 0.13 0.12 -0.55 8.40 8.11 3gnhA1 ASP 47 HA -0.02 0.16 0.82 -0.75 4.63 4.84 3gnhA1 ASP 47 HB2 -0.00 -0.02 0.12 -0.04 2.71 2.76 3gnhA1 ASP 47 HB3 -0.02 0.04 0.09 -0.04 2.70 2.77 3gnhA1 ASN 48 H -0.03 0.59 0.30 -0.55 8.53 8.85 3gnhA1 ASN 48 HA -0.03 0.26 0.47 -0.75 4.76 4.71 3gnhA1 ASN 48 HB2 -0.02 0.07 -0.04 -0.04 2.88 2.85 3gnhA1 ASN 48 HB3 -0.02 -0.09 0.23 -0.04 2.79 2.87 3gnhA1 ASN 48 HD21 -0.03 -0.06 0.11 -0.04 7.03 7.00 3gnhA1 ASN 48 HD22 -0.03 0.13 0.21 -0.04 7.74 8.00 3gnhA1 PRO 49 HA -0.01 0.35 0.51 -0.51 4.44 4.78 3gnhA1 PRO 49 HB2 -0.01 -0.00 -0.16 -0.04 2.28 2.07 3gnhA1 PRO 49 HB3 0.00 0.03 -0.12 -0.04 2.02 1.90 3gnhA1 PRO 49 HG2 -0.03 -0.08 -0.13 -0.04 2.03 1.75 3gnhA1 PRO 49 HG3 -0.01 0.01 -0.49 -0.04 2.03 1.50 3gnhA1 PRO 49 HD2 -0.04 0.25 -0.32 -0.04 3.68 3.53 3gnhA1 PRO 49 HD3 -0.02 0.19 -0.35 -0.04 3.65 3.43 3gnhA1 LEU 50 H -0.01 0.45 -0.15 -0.55 8.37 8.11 3gnhA1 LEU 50 HA -0.02 0.26 0.56 -0.75 4.35 4.39 3gnhA1 LEU 50 HB2 -0.02 -0.03 -0.66 -0.04 1.64 0.89 3gnhA1 LEU 50 HB3 -0.01 -0.15 -0.35 -0.04 1.64 1.10 3gnhA1 LEU 50 HG -0.01 -0.02 -0.47 -0.04 1.64 1.11 3gnhA1 LEU 50 HD13 -0.02 0.01 -0.37 -0.04 0.93 0.51 3gnhA1 LEU 50 HD23 -0.01 -0.03 -0.20 -0.04 0.89 0.60 3gnhA1 VAL 51 H -0.01 0.87 0.14 -0.55 8.24 8.69 3gnhA1 VAL 51 HA 0.01 0.27 1.00 -0.75 4.13 4.65 3gnhA1 VAL 51 HB 0.02 -0.03 0.08 -0.04 2.12 2.15 3gnhA1 VAL 51 HG13 0.03 0.00 -0.20 -0.04 0.97 0.76 3gnhA1 VAL 51 HG23 0.01 0.00 -0.14 -0.04 0.95 0.78 3gnhA1 ILE 52 H 0.01 0.60 0.32 -0.55 8.25 8.63 3gnhA1 ILE 52 HA 0.01 0.33 1.02 -0.75 4.18 4.79 3gnhA1 ILE 52 HB 0.01 -0.13 0.12 -0.04 1.89 1.84 3gnhA1 ILE 52 HG12 0.00 0.00 -0.16 -0.04 1.49 1.30 3gnhA1 ILE 52 HG13 0.00 0.02 -0.07 -0.04 1.21 1.12 3gnhA1 ILE 52 HG23 0.01 0.01 -0.17 -0.04 0.93 0.74 3gnhA1 ILE 52 HD13 0.00 0.01 -0.20 -0.04 0.88 0.65 3gnhA1 VAL 53 H 0.02 0.71 0.36 -0.55 8.24 8.79 3gnhA1 VAL 53 HA 0.03 0.21 0.86 -0.75 4.13 4.48 3gnhA1 VAL 53 HB 0.04 -0.02 0.12 -0.04 2.12 2.22 3gnhA1 VAL 53 HG13 0.05 -0.03 -0.42 -0.04 0.97 0.52 3gnhA1 VAL 53 HG23 0.05 0.02 -0.27 -0.04 0.95 0.71 3gnhA1 THR 54 H 0.02 0.84 0.25 -0.55 8.28 8.85 3gnhA1 THR 54 HA 0.02 0.27 1.05 -0.75 4.39 4.98 3gnhA1 THR 54 HB 0.01 0.03 0.12 -0.04 4.32 4.44 3gnhA1 THR 54 HG23 0.01 0.01 -0.12 -0.04 1.22 1.08 3gnhA1 ASP 55 H 0.02 0.81 0.28 -0.55 8.40 8.96 3gnhA1 ASP 55 HA 0.02 0.09 0.38 -0.75 4.63 4.37 3gnhA1 ASP 55 HB2 0.02 0.07 -0.09 -0.04 2.71 2.66 3gnhA1 ASP 55 HB3 0.02 -0.01 0.25 -0.04 2.70 2.93 3gnhA1 GLY 56 H 0.04 0.09 -0.39 -0.55 8.43 7.62 3gnhA1 GLY 56 HA2 0.07 -0.02 -0.10 -0.51 4.01 3.44 3gnhA1 GLY 56 HA3 0.10 0.19 0.51 -0.51 4.01 4.30 3gnhA1 ARG 57 H 0.05 0.57 -0.46 -0.55 8.46 8.07 3gnhA1 ARG 57 HA 0.05 0.15 0.96 -0.75 4.34 4.75 3gnhA1 ARG 57 HB2 0.00 0.06 0.03 -0.04 1.90 1.95 3gnhA1 ARG 57 HB3 -0.04 0.07 -0.11 -0.04 1.80 1.68 3gnhA1 ARG 57 HG2 0.03 -0.04 -0.25 -0.04 1.67 1.37 3gnhA1 ARG 57 HG3 -0.04 -0.02 -0.04 -0.04 1.67 1.53 3gnhA1 ARG 57 HD2 -0.18 0.19 -0.05 -0.04 3.22 3.14 3gnhA1 ARG 57 HD3 -0.28 -0.04 -0.26 -0.04 3.22 2.59 3gnhA1 ILE 58 H 0.01 0.85 0.15 -0.55 8.25 8.72 3gnhA1 ILE 58 HA 0.02 0.10 0.59 -0.75 4.18 4.13 3gnhA1 ILE 58 HB 0.01 0.10 0.06 -0.04 1.89 2.01 3gnhA1 ILE 58 HG12 0.04 -0.08 -0.15 -0.04 1.49 1.25 3gnhA1 ILE 58 HG13 0.04 0.07 -0.33 -0.04 1.21 0.95 3gnhA1 ILE 58 HG23 0.01 -0.04 -0.32 -0.04 0.93 0.53 3gnhA1 ILE 58 HD13 0.03 -0.00 -0.06 -0.04 0.88 0.81 3gnhA1 THR 59 H 0.01 0.64 0.43 -0.55 8.28 8.81 3gnhA1 THR 59 HA -0.00 0.17 0.96 -0.75 4.39 4.76 3gnhA1 THR 59 HB -0.00 -0.04 0.09 -0.04 4.32 4.32 3gnhA1 THR 59 HG23 0.00 0.04 -0.09 -0.04 1.22 1.13 3gnhA1 SER 60 H 0.01 0.30 0.21 -0.55 8.46 8.43 3gnhA1 SER 60 HA 0.00 0.08 0.49 -0.75 4.49 4.32 3gnhA1 SER 60 HB2 0.00 0.18 -0.12 -0.04 3.95 3.97 3gnhA1 SER 60 HB3 0.00 -0.07 -0.03 -0.04 3.93 3.79 3gnhA1 ILE 61 H 0.00 0.23 0.01 -0.55 8.25 7.94 3gnhA1 ILE 61 HA 0.00 0.20 0.82 -0.75 4.18 4.45 3gnhA1 ILE 61 HB 0.00 -0.03 0.16 -0.04 1.89 1.98 3gnhA1 ILE 61 HG12 0.01 0.05 -0.16 -0.04 1.49 1.36 3gnhA1 ILE 61 HG13 0.01 -0.14 -0.56 -0.04 1.21 0.48 3gnhA1 ILE 61 HG23 0.01 0.02 -0.08 -0.04 0.93 0.83 3gnhA1 ILE 61 HD13 0.01 -0.03 -0.29 -0.04 0.88 0.53 3gnhA1 GLY 62 H -0.00 0.63 0.07 -0.55 8.43 8.58 3gnhA1 GLY 62 HA2 -0.00 0.19 0.88 -0.51 4.01 4.57 3gnhA1 GLY 62 HA3 -0.00 -0.02 0.38 -0.51 4.01 3.86 3gnhA1 LYS 63 H -0.01 0.14 0.16 -0.55 8.42 8.16 3gnhA1 LYS 63 HA -0.01 0.43 1.02 -0.75 4.32 5.01 3gnhA1 LYS 63 HB2 -0.01 -0.09 0.02 -0.04 1.87 1.75 3gnhA1 LYS 63 HB3 -0.01 0.11 0.06 -0.04 1.79 1.91 3gnhA1 LYS 63 HG2 -0.00 -0.13 -0.23 -0.04 1.46 1.05 3gnhA1 LYS 63 HG3 -0.00 -0.04 -0.04 -0.04 1.46 1.33 3gnhA1 LYS 63 HD2 -0.01 0.03 0.01 -0.04 1.69 1.69 3gnhA1 LYS 63 HD3 -0.00 0.17 -0.11 -0.04 1.68 1.70 3gnhA1 LYS 63 HE2 0.00 -0.06 -0.10 -0.04 2.99 2.80 3gnhA1 LYS 63 HE3 -0.00 -0.08 -0.03 -0.04 2.99 2.83 3gnhA1 LYS 64 H -0.02 0.62 0.12 -0.55 8.42 8.59 3gnhA1 LYS 64 HA -0.02 -0.01 0.31 -0.75 4.32 3.85 3gnhA1 LYS 64 HB2 -0.03 0.11 0.01 -0.04 1.87 1.92 3gnhA1 LYS 64 HB3 -0.02 -0.02 0.07 -0.04 1.79 1.78 3gnhA1 LYS 64 HG2 -0.02 0.01 -0.13 -0.04 1.46 1.27 3gnhA1 LYS 64 HG3 -0.03 -0.02 -0.01 -0.04 1.46 1.36 3gnhA1 LYS 64 HD2 -0.03 -0.03 -0.07 -0.04 1.69 1.52 3gnhA1 LYS 64 HD3 -0.04 0.01 -0.07 -0.04 1.68 1.54 3gnhA1 LYS 64 HE2 -0.03 0.03 -0.02 -0.04 2.99 2.93 3gnhA1 LYS 64 HE3 -0.02 -0.00 -0.07 -0.04 2.99 2.85 3gnhA1 GLY 65 H -0.01 0.15 0.14 -0.55 8.43 8.16 3gnhA1 GLY 65 HA2 -0.01 -0.03 0.32 -0.51 4.01 3.77 3gnhA1 GLY 65 HA3 -0.01 0.15 0.74 -0.51 4.01 4.38 3gnhA1 ASP 66 H -0.01 0.44 -0.10 -0.55 8.40 8.19 3gnhA1 ASP 66 HA -0.01 0.02 0.47 -0.75 4.63 4.36 3gnhA1 ASP 66 HB2 -0.01 0.08 0.10 -0.04 2.71 2.84 3gnhA1 ASP 66 HB3 -0.00 0.03 0.08 -0.04 2.70 2.76 3gnhA1 ALA 67 H -0.00 0.04 0.13 -0.55 8.40 8.02 3gnhA1 ALA 67 HA -0.00 0.08 0.42 -0.75 4.34 4.08 3gnhA1 ALA 67 HB3 -0.00 0.00 0.05 -0.04 1.41 1.42 3gnhA1 VAL 68 H -0.00 0.21 0.15 -0.55 8.24 8.05 3gnhA1 VAL 68 HA -0.00 0.18 0.75 -0.75 4.13 4.30 3gnhA1 VAL 68 HB -0.00 0.04 -0.04 -0.04 2.12 2.08 3gnhA1 VAL 68 HG13 -0.01 0.02 -0.30 -0.04 0.97 0.65 3gnhA1 VAL 68 HG23 -0.00 -0.00 -0.10 -0.04 0.95 0.80 3gnhA1 PRO 69 HA -0.00 0.03 0.48 -0.51 4.44 4.45 3gnhA1 PRO 69 HB2 0.00 0.12 0.00 -0.04 2.28 2.37 3gnhA1 PRO 69 HB3 0.00 0.01 0.05 -0.04 2.02 2.04 3gnhA1 PRO 69 HG2 0.00 0.02 -0.09 -0.04 2.03 1.92 3gnhA1 PRO 69 HG3 0.00 0.06 -0.04 -0.04 2.03 2.01 3gnhA1 PRO 69 HD2 0.00 0.08 0.10 -0.04 3.68 3.82 3gnhA1 PRO 69 HD3 0.00 0.14 0.05 -0.04 3.65 3.80 3gnhA1 ALA 70 H -0.00 0.08 0.15 -0.55 8.40 8.08 3gnhA1 ALA 70 HA -0.00 0.05 0.45 -0.75 4.34 4.08 3gnhA1 ALA 70 HB3 -0.00 0.01 0.10 -0.04 1.41 1.48 3gnhA1 GLY 71 H 0.00 0.12 0.15 -0.55 8.43 8.16 3gnhA1 GLY 71 HA2 0.00 -0.01 0.33 -0.51 4.01 3.82 3gnhA1 GLY 71 HA3 0.00 0.12 0.52 -0.51 4.01 4.15 3gnhA1 ALA 72 H 0.00 0.30 -0.40 -0.55 8.40 7.75 3gnhA1 ALA 72 HA 0.01 0.10 0.34 -0.75 4.34 4.03 3gnhA1 ALA 72 HB3 0.00 -0.02 -0.14 -0.04 1.41 1.21 3gnhA1 THR 73 H 0.01 0.80 0.38 -0.55 8.28 8.92 3gnhA1 THR 73 HA 0.00 0.07 0.81 -0.75 4.39 4.53 3gnhA1 THR 73 HB 0.01 0.04 0.26 -0.04 4.32 4.59 3gnhA1 THR 73 HG23 0.01 -0.01 -0.12 -0.04 1.22 1.06 3gnhA1 ALA 74 H -0.00 0.14 0.16 -0.55 8.40 8.15 3gnhA1 ALA 74 HA -0.01 0.18 0.65 -0.75 4.34 4.41 3gnhA1 ALA 74 HB3 -0.01 -0.01 0.05 -0.04 1.41 1.40 3gnhA1 VAL 75 H -0.03 0.74 0.26 -0.55 8.24 8.66 3gnhA1 VAL 75 HA -0.03 0.14 0.81 -0.75 4.13 4.29 3gnhA1 VAL 75 HB -0.05 -0.05 0.07 -0.04 2.12 2.05 3gnhA1 VAL 75 HG13 -0.10 -0.00 -0.14 -0.04 0.97 0.69 3gnhA1 VAL 75 HG23 0.04 0.03 -0.23 -0.04 0.95 0.75 3gnhA1 ASP 76 H -0.06 0.20 0.06 -0.55 8.40 8.05 3gnhA1 ASP 76 HA -0.10 0.13 0.99 -0.75 4.63 4.90 3gnhA1 ASP 76 HB2 -0.05 0.01 0.11 -0.04 2.71 2.74 3gnhA1 ASP 76 HB3 -0.05 -0.01 -0.03 -0.04 2.70 2.56 3gnhA1 LEU 77 H -0.14 0.69 0.17 -0.55 8.37 8.55 3gnhA1 LEU 77 HA -0.11 0.20 0.86 -0.75 4.35 4.54 3gnhA1 LEU 77 HB2 -0.20 0.00 0.26 -0.04 1.64 1.66 3gnhA1 LEU 77 HB3 -0.17 -0.05 0.03 -0.04 1.64 1.41 3gnhA1 LEU 77 HG -0.41 0.02 -0.35 -0.04 1.64 0.86 3gnhA1 LEU 77 HD13 -1.05 -0.01 -0.18 -0.04 0.93 -0.36 3gnhA1 LEU 77 HD23 -0.32 0.03 -0.16 -0.04 0.89 0.40 3gnhA1 PRO 78 HA -0.05 -0.02 0.48 -0.51 4.44 4.33 3gnhA1 PRO 78 HB2 -0.03 0.03 -0.01 -0.04 2.28 2.23 3gnhA1 PRO 78 HB3 -0.04 0.02 0.04 -0.04 2.02 2.00 3gnhA1 PRO 78 HG2 -0.03 0.03 0.07 -0.04 2.03 2.06 3gnhA1 PRO 78 HG3 -0.03 0.05 0.02 -0.04 2.03 2.03 3gnhA1 PRO 78 HD2 -0.05 0.20 0.13 -0.04 3.68 3.91 3gnhA1 PRO 78 HD3 -0.05 0.09 -0.24 -0.04 3.65 3.41 3gnhA1 GLY 79 H -0.05 0.11 0.21 -0.55 8.43 8.15 3gnhA1 GLY 79 HA2 -0.05 -0.01 0.41 -0.51 4.01 3.86 3gnhA1 GLY 79 HA3 -0.04 0.10 0.41 -0.51 4.01 3.97 3gnhA1 VAL 80 H -0.06 0.25 -0.35 -0.55 8.24 7.53 3gnhA1 VAL 80 HA -0.05 0.24 1.11 -0.75 4.13 4.67 3gnhA1 VAL 80 HB -0.02 0.05 -0.08 -0.04 2.12 2.03 3gnhA1 VAL 80 HG13 -0.02 0.01 -0.21 -0.04 0.97 0.70 3gnhA1 VAL 80 HG23 -0.06 0.02 -0.19 -0.04 0.95 0.67 3gnhA1 THR 81 H -0.04 0.67 0.32 -0.55 8.28 8.69 3gnhA1 THR 81 HA -0.07 0.18 1.07 -0.75 4.39 4.82 3gnhA1 THR 81 HB -0.03 0.03 0.09 -0.04 4.32 4.36 3gnhA1 THR 81 HG23 0.02 -0.01 -0.29 -0.04 1.22 0.90 3gnhA1 LEU 82 H -0.01 0.69 0.42 -0.55 8.37 8.92 3gnhA1 LEU 82 HA 0.05 0.28 0.88 -0.75 4.35 4.81 3gnhA1 LEU 82 HB2 0.01 -0.05 0.24 -0.04 1.64 1.80 3gnhA1 LEU 82 HB3 0.05 0.04 0.03 -0.04 1.64 1.71 3gnhA1 LEU 82 HG -0.04 -0.04 -0.07 -0.04 1.64 1.44 3gnhA1 LEU 82 HD13 -0.02 -0.00 -0.20 -0.04 0.93 0.66 3gnhA1 LEU 82 HD23 0.06 0.02 -0.19 -0.04 0.89 0.74 3gnhA1 LEU 83 H 0.04 0.72 0.44 -0.55 8.37 9.03 3gnhA1 LEU 83 HA 0.01 0.10 0.81 -0.75 4.35 4.51 3gnhA1 LEU 83 HB2 -0.03 -0.03 -0.07 -0.04 1.64 1.47 3gnhA1 LEU 83 HB3 -0.06 0.22 -0.01 -0.04 1.64 1.74 3gnhA1 LEU 83 HG -0.03 -0.01 0.05 -0.04 1.64 1.61 3gnhA1 LEU 83 HD13 0.02 0.03 -0.28 -0.04 0.93 0.67 3gnhA1 LEU 83 HD23 -0.13 -0.01 -0.08 -0.04 0.89 0.64 3gnhA1 PRO 84 HA 0.00 0.17 0.53 -0.51 4.44 4.64 3gnhA1 PRO 84 HB2 -0.02 0.13 -0.15 -0.04 2.28 2.20 3gnhA1 PRO 84 HB3 0.00 -0.04 -0.23 -0.04 2.02 1.70 3gnhA1 PRO 84 HG2 -0.01 0.08 0.07 -0.04 2.03 2.13 3gnhA1 PRO 84 HG3 0.00 -0.13 0.08 -0.04 2.03 1.93 3gnhA1 PRO 84 HD2 -0.04 0.10 0.16 -0.04 3.68 3.86 3gnhA1 PRO 84 HD3 -0.01 0.16 0.26 -0.04 3.65 4.02 3gnhA1 GLY 85 H -0.01 0.39 0.03 -0.55 8.43 8.28 3gnhA1 GLY 85 HA2 -0.09 0.09 0.34 -0.51 4.01 3.83 3gnhA1 GLY 85 HA3 -0.05 -0.05 0.20 -0.51 4.01 3.60 3gnhA1 LEU 86 H -0.25 0.55 0.36 -0.55 8.37 8.49 3gnhA1 LEU 86 HA -0.15 0.23 0.61 -0.75 4.35 4.28 3gnhA1 LEU 86 HB2 -1.37 -0.03 -0.11 -0.04 1.64 0.09 3gnhA1 LEU 86 HB3 -0.68 -0.07 0.02 -0.04 1.64 0.88 3gnhA1 LEU 86 HG -0.34 0.07 0.09 -0.04 1.64 1.43 3gnhA1 LEU 86 HD13 -0.37 -0.02 -0.04 -0.04 0.93 0.46 3gnhA1 LEU 86 HD23 -0.20 -0.00 -0.08 -0.04 0.89 0.57 3gnhA1 ILE 87 H 0.05 0.50 0.37 -0.55 8.25 8.63 3gnhA1 ILE 87 HA 0.20 0.40 1.09 -0.75 4.18 5.11 3gnhA1 ILE 87 HB 0.11 -0.04 0.01 -0.04 1.89 1.93 3gnhA1 ILE 87 HG12 0.05 -0.02 -0.18 -0.04 1.49 1.30 3gnhA1 ILE 87 HG13 0.03 0.12 -0.20 -0.04 1.21 1.12 3gnhA1 ILE 87 HG23 0.09 -0.02 -0.37 -0.04 0.93 0.59 3gnhA1 ILE 87 HD13 0.04 -0.03 -0.16 -0.04 0.88 0.69 3gnhA1 ASP 88 H 0.28 0.45 0.26 -0.55 8.40 8.85 3gnhA1 ASP 88 HA 0.33 0.26 0.94 -0.75 4.63 5.40 3gnhA1 ASP 88 HB2 -0.02 0.08 -0.03 -0.04 2.71 2.69 3gnhA1 ASP 88 HB3 0.04 -0.03 0.14 -0.04 2.70 2.81 3gnhA1 MET 89 H 0.12 1.03 0.34 -0.55 8.47 9.41 3gnhA1 MET 89 HA 0.03 0.08 0.46 -0.75 4.52 4.34 3gnhA1 MET 89 HB2 0.06 -0.04 -0.21 -0.04 2.15 1.91 3gnhA1 MET 89 HB3 0.02 0.02 0.01 -0.04 2.03 2.04 3gnhA1 MET 89 HG2 0.10 0.08 -0.07 -0.04 2.63 2.70 3gnhA1 MET 89 HG3 0.04 -0.02 -0.11 -0.04 2.56 2.42 3gnhA1 MET 89 HE3 -0.06 0.02 -0.18 -0.04 2.10 1.83 3gnhA1 HIS 90 H 0.05 -0.04 -0.45 -0.55 8.41 7.42 3gnhA1 HIS 90 HA -0.12 0.33 0.78 -0.75 4.63 4.86 3gnhA1 HIS 90 HB2 -0.09 0.17 -0.39 -0.04 3.26 2.90 3gnhA1 HIS 90 HB3 -0.08 -0.37 0.03 -0.04 3.20 2.73 3gnhA1 HIS 90 HD2 -0.09 -0.10 -0.38 -0.04 6.97 6.36 3gnhA1 HIS 90 HE1 -0.18 -0.02 -0.09 -0.04 7.75 7.42 3gnhA1 VAL 91 H -0.18 0.64 0.26 -0.55 8.24 8.41 3gnhA1 VAL 91 HA -0.02 0.09 0.89 -0.75 4.13 4.34 3gnhA1 VAL 91 HB 0.03 -0.00 -0.04 -0.04 2.12 2.08 3gnhA1 VAL 91 HG13 -0.03 -0.02 -0.21 -0.04 0.97 0.67 3gnhA1 VAL 91 HG23 -0.05 0.03 -0.32 -0.04 0.95 0.57 3gnhA1 HIS 92 H 0.14 0.55 -0.02 -0.55 8.41 8.53 3gnhA1 HIS 92 HA -0.00 0.12 0.71 -0.75 4.63 4.71 3gnhA1 HIS 92 HB2 0.02 0.05 0.15 -0.04 3.26 3.44 3gnhA1 HIS 92 HB3 -0.01 -0.01 0.05 -0.04 3.20 3.18 3gnhA1 HIS 92 HD2 0.11 -0.00 -0.29 -0.04 6.97 6.75 3gnhA1 HIS 92 HE1 -0.02 0.28 -0.16 -0.04 7.75 7.80 3gnhA1 LEU 93 H -0.01 0.16 -0.11 -0.55 8.37 7.87 3gnhA1 LEU 93 HA -0.37 0.10 0.34 -0.75 4.35 3.66 3gnhA1 LEU 93 HB2 -0.07 -0.04 -0.01 -0.04 1.64 1.48 3gnhA1 LEU 93 HB3 -0.16 0.13 0.02 -0.04 1.64 1.58 3gnhA1 LEU 93 HG -0.07 -0.12 -0.13 -0.04 1.64 1.27 3gnhA1 LEU 93 HD13 -0.06 0.03 -0.11 -0.04 0.93 0.75 3gnhA1 LEU 93 HD23 -0.28 0.01 -0.19 -0.04 0.89 0.38 3gnhA1 ASP 94 H 0.03 0.02 -0.32 -0.55 8.40 7.58 3gnhA1 ASP 94 HA 0.05 0.27 0.88 -0.75 4.63 5.07 3gnhA1 ASP 94 HB2 0.13 0.10 0.05 -0.04 2.71 2.94 3gnhA1 ASP 94 HB3 0.03 -0.04 -0.05 -0.04 2.70 2.60 3gnhA1 SER 95 H 0.14 0.39 -0.38 -0.55 8.46 8.07 3gnhA1 SER 95 HA -0.02 0.15 0.80 -0.75 4.49 4.67 3gnhA1 SER 95 HB2 -0.12 0.07 0.02 -0.04 3.95 3.87 3gnhA1 SER 95 HB3 -0.10 -0.07 -0.12 -0.04 3.93 3.60 3gnhA1 LEU 96 H 0.17 0.30 0.12 -0.55 8.37 8.41 3gnhA1 LEU 96 HA 0.13 0.12 0.89 -0.75 4.35 4.74 3gnhA1 LEU 96 HB2 0.32 0.03 0.07 -0.04 1.64 2.02 3gnhA1 LEU 96 HB3 0.13 -0.10 -0.04 -0.04 1.64 1.59 3gnhA1 LEU 96 HG 0.26 0.00 -0.40 -0.04 1.64 1.47 3gnhA1 LEU 96 HD13 0.01 0.01 -0.08 -0.04 0.93 0.83 3gnhA1 LEU 96 HD23 0.07 0.02 -0.02 -0.04 0.89 0.92 3gnhA1 ALA 97 H -0.07 0.05 -0.03 -0.55 8.40 7.81 3gnhA1 ALA 97 HA -0.06 0.33 0.15 -0.75 4.34 4.01 3gnhA1 ALA 97 HB3 -0.17 -0.02 -0.40 -0.04 1.41 0.78 3gnhA1 GLU 98 H 0.07 0.00 -0.27 -0.55 8.60 7.86 3gnhA1 GLU 98 HA 0.12 0.14 0.43 -0.75 4.29 4.23 3gnhA1 GLU 98 HB2 0.09 -0.04 -0.02 -0.04 2.09 2.08 3gnhA1 GLU 98 HB3 0.09 0.05 0.04 -0.04 1.99 2.14 3gnhA1 GLU 98 HG2 0.15 0.05 -0.04 -0.04 2.34 2.46 3gnhA1 GLU 98 HG3 0.12 -0.10 -0.05 -0.04 2.34 2.27 3gnhA1 VAL 99 H 0.11 0.33 -0.57 -0.55 8.24 7.56 3gnhA1 VAL 99 HA 0.13 0.16 0.82 -0.75 4.13 4.49 3gnhA1 VAL 99 HB 0.35 0.00 0.18 -0.04 2.12 2.62 3gnhA1 VAL 99 HG13 0.41 -0.01 -0.16 -0.04 0.97 1.17 3gnhA1 VAL 99 HG23 0.16 -0.02 -0.15 -0.04 0.95 0.91 3gnhA1 GLY 100 H 0.02 0.60 -0.01 -0.55 8.43 8.50 3gnhA1 GLY 100 HA2 -0.11 0.22 0.89 -0.51 4.01 4.50 3gnhA1 GLY 100 HA3 -0.09 0.02 0.20 -0.51 4.01 3.63 3gnhA1 GLY 101 H -0.03 0.01 -0.04 -0.55 8.43 7.82 3gnhA1 GLY 101 HA2 -0.33 0.26 0.85 -0.51 4.01 4.28 3gnhA1 GLY 101 HA3 -0.15 0.17 0.42 -0.51 4.01 3.94 3gnhA1 TYR 102 H -0.08 0.27 0.20 -0.55 8.29 8.13 3gnhA1 TYR 102 HA -0.04 0.13 0.51 -0.75 4.56 4.42 3gnhA1 TYR 102 HB2 -0.02 0.02 0.12 -0.04 3.06 3.14 3gnhA1 TYR 102 HB3 0.02 0.03 0.13 -0.04 2.98 3.12 3gnhA1 TYR 102 HD2 -0.02 -0.00 0.07 -0.04 7.15 7.16 3gnhA1 TYR 102 HE2 -0.28 0.02 0.04 -0.04 6.85 6.59 3gnhA1 ASN 103 H 0.06 -0.01 -0.49 -0.55 8.53 7.55 3gnhA1 ASN 103 HA 0.09 0.09 0.35 -0.75 4.76 4.54 3gnhA1 ASN 103 HB2 0.11 -0.08 0.02 -0.04 2.88 2.88 3gnhA1 ASN 103 HB3 0.13 0.06 0.03 -0.04 2.79 2.98 3gnhA1 ASN 103 HD21 0.03 0.04 -0.04 -0.04 7.03 7.02 3gnhA1 ASN 103 HD22 0.04 0.08 0.15 -0.04 7.74 7.97 3gnhA1 SER 104 H 0.14 0.34 -0.43 -0.55 8.46 7.97 3gnhA1 SER 104 HA 0.67 0.05 0.39 -0.75 4.49 4.84 3gnhA1 SER 104 HB2 0.13 -0.02 0.05 -0.04 3.95 4.07 3gnhA1 SER 104 HB3 0.10 0.08 0.02 -0.04 3.93 4.09 3gnhA1 LEU 105 H 0.20 0.44 -0.44 -0.55 8.37 8.03 3gnhA1 LEU 105 HA 0.21 0.08 0.40 -0.75 4.35 4.28 3gnhA1 LEU 105 HB2 0.14 0.14 0.09 -0.04 1.64 1.97 3gnhA1 LEU 105 HB3 0.12 -0.03 0.07 -0.04 1.64 1.76 3gnhA1 LEU 105 HG 0.28 -0.05 0.08 -0.04 1.64 1.91 3gnhA1 LEU 105 HD13 0.39 -0.01 0.05 -0.04 0.93 1.32 3gnhA1 LEU 105 HD23 0.26 -0.01 -0.03 -0.04 0.89 1.07 3gnhA1 GLU 106 H 0.06 0.33 -0.35 -0.55 8.60 8.09 3gnhA1 GLU 106 HA -0.08 0.05 0.42 -0.75 4.29 3.93 3gnhA1 GLU 106 HB2 -0.45 0.09 0.07 -0.04 2.09 1.75 3gnhA1 GLU 106 HB3 -0.34 -0.05 0.06 -0.04 1.99 1.62 3gnhA1 GLU 106 HG2 -0.08 -0.02 0.01 -0.04 2.34 2.21 3gnhA1 GLU 106 HG3 -0.04 0.03 0.07 -0.04 2.34 2.35 3gnhA1 TYR 107 H 0.16 0.27 -0.32 -0.55 8.29 7.85 3gnhA1 TYR 107 HA -0.23 0.07 0.68 -0.75 4.56 4.33 3gnhA1 TYR 107 HB2 -0.07 0.13 0.07 -0.04 3.06 3.15 3gnhA1 TYR 107 HB3 -0.68 -0.09 0.09 -0.04 2.98 2.26 3gnhA1 TYR 107 HD2 -0.68 0.03 0.04 -0.04 7.15 6.50 3gnhA1 TYR 107 HE2 -0.36 0.00 -0.05 -0.04 6.85 6.40 3gnhA1 SER 108 H 0.03 0.04 0.17 -0.55 8.46 8.16 3gnhA1 SER 108 HA 0.10 0.19 0.53 -0.75 4.49 4.56 3gnhA1 SER 108 HB2 0.07 -0.04 0.16 -0.04 3.95 4.10 3gnhA1 SER 108 HB3 0.04 0.12 0.14 -0.04 3.93 4.19 3gnhA1 ASP 109 H 0.14 0.18 0.18 -0.55 8.40 8.35 3gnhA1 ASP 109 HA 0.42 0.17 0.45 -0.75 4.63 4.92 3gnhA1 ASP 109 HB2 0.12 -0.02 0.14 -0.04 2.71 2.90 3gnhA1 ASP 109 HB3 0.15 0.02 0.03 -0.04 2.70 2.86 3gnhA1 ARG 110 H 0.11 0.12 -0.08 -0.55 8.46 8.06 3gnhA1 ARG 110 HA 0.09 0.11 0.47 -0.75 4.34 4.26 3gnhA1 ARG 110 HB2 0.05 0.01 0.01 -0.04 1.90 1.94 3gnhA1 ARG 110 HB3 0.03 0.07 0.07 -0.04 1.80 1.92 3gnhA1 ARG 110 HG2 0.06 -0.09 0.03 -0.04 1.67 1.63 3gnhA1 ARG 110 HG3 0.04 0.07 0.02 -0.04 1.67 1.75 3gnhA1 ARG 110 HD2 0.04 0.07 -0.01 -0.04 3.22 3.27 3gnhA1 ARG 110 HD3 0.03 0.03 0.01 -0.04 3.22 3.25 3gnhA1 PHE 111 H 0.13 0.23 -0.60 -0.55 8.34 7.54 3gnhA1 PHE 111 HA -0.18 0.08 0.42 -0.75 4.62 4.18 3gnhA1 PHE 111 HB2 -0.19 -0.08 0.10 -0.04 3.15 2.95 3gnhA1 PHE 111 HB3 -0.59 0.29 0.08 -0.04 3.06 2.80 3gnhA1 PHE 111 HD2 -1.46 0.03 -0.04 -0.04 7.28 5.77 3gnhA1 PHE 111 HE2 -1.04 0.02 -0.05 -0.04 7.38 6.27 3gnhA1 PHE 111 HZ -0.61 0.01 -0.05 -0.04 7.32 6.63 3gnhA1 TRP 112 H -0.10 0.34 -0.18 -0.55 7.97 7.48 3gnhA1 TRP 112 HA -0.29 0.04 0.40 -0.75 4.62 4.01 3gnhA1 TRP 112 HB2 0.00 0.07 0.12 -0.04 3.23 3.38 3gnhA1 TRP 112 HB3 -0.04 0.16 0.14 -0.04 3.23 3.45 3gnhA1 TRP 112 HD1 0.12 0.06 0.16 -0.04 7.22 7.52 3gnhA1 TRP 112 HE1 0.18 0.15 -0.06 -0.04 10.20 10.43 3gnhA1 TRP 112 HE3 -0.06 0.07 -0.10 -0.04 7.59 7.46 3gnhA1 TRP 112 HZ2 0.17 0.13 0.12 -0.04 7.44 7.82 3gnhA1 TRP 112 HZ3 0.01 -0.12 -0.03 -0.04 7.13 6.95 3gnhA1 TRP 112 HH2 0.01 -0.01 0.03 -0.04 7.19 7.18 3gnhA1 SER 113 H 0.10 0.15 -0.30 -0.55 8.46 7.87 3gnhA1 SER 113 HA 0.04 -0.01 0.37 -0.75 4.49 4.14 3gnhA1 SER 113 HB2 0.02 0.14 0.08 -0.04 3.95 4.15 3gnhA1 SER 113 HB3 0.02 0.02 0.05 -0.04 3.93 3.99 3gnhA1 VAL 114 H -0.15 0.32 -0.46 -0.55 8.24 7.40 3gnhA1 VAL 114 HA -0.09 0.16 0.74 -0.75 4.13 4.19 3gnhA1 VAL 114 HB -0.21 0.06 0.19 -0.04 2.12 2.12 3gnhA1 VAL 114 HG13 -0.10 -0.01 -0.11 -0.04 0.97 0.70 3gnhA1 VAL 114 HG23 -0.05 0.03 -0.02 -0.04 0.95 0.88 3gnhA1 VAL 115 H -0.49 0.67 0.16 -0.55 8.24 8.03 3gnhA1 VAL 115 HA -0.26 0.02 0.39 -0.75 4.13 3.52 3gnhA1 VAL 115 HB -0.34 -0.06 0.05 -0.04 2.12 1.73 3gnhA1 VAL 115 HG13 -1.21 0.06 0.04 -0.04 0.97 -0.18 3gnhA1 VAL 115 HG23 -0.40 0.03 -0.05 -0.04 0.95 0.48 3gnhA1 GLN 116 H -0.12 0.41 -0.43 -0.55 8.47 7.78 3gnhA1 GLN 116 HA -0.13 0.26 0.43 -0.75 4.36 4.17 3gnhA1 GLN 116 HB2 -0.07 -0.17 -0.24 -0.04 2.15 1.64 3gnhA1 GLN 116 HB3 -0.02 0.02 -0.05 -0.04 2.02 1.93 3gnhA1 GLN 116 HG2 -0.05 0.22 -0.21 -0.04 2.40 2.32 3gnhA1 GLN 116 HG3 -0.05 0.01 -0.32 -0.04 2.39 1.99 3gnhA1 GLN 116 HE21 0.02 -0.03 0.06 -0.04 6.97 6.97 3gnhA1 GLN 116 HE22 -0.01 0.43 0.13 -0.04 7.69 8.20 3gnhA1 THR 117 H -0.10 0.55 -0.47 -0.55 8.28 7.71 3gnhA1 THR 117 HA -0.06 0.07 0.41 -0.75 4.39 4.06 3gnhA1 THR 117 HB -0.04 0.01 0.05 -0.04 4.32 4.30 3gnhA1 THR 117 HG23 -0.05 0.03 0.09 -0.04 1.22 1.25 3gnhA1 ALA 118 H -0.10 0.29 -0.07 -0.55 8.40 7.97 3gnhA1 ALA 118 HA -0.05 0.08 0.48 -0.75 4.34 4.10 3gnhA1 ALA 118 HB3 -0.07 0.02 0.11 -0.04 1.41 1.44 3gnhA1 ASN 119 H -0.13 0.47 -0.11 -0.55 8.53 8.22 3gnhA1 ASN 119 HA -0.11 -0.01 0.42 -0.75 4.76 4.30 3gnhA1 ASN 119 HB2 -0.33 0.20 0.20 -0.04 2.88 2.91 3gnhA1 ASN 119 HB3 -0.87 -0.16 0.07 -0.04 2.79 1.78 3gnhA1 ASN 119 HD21 0.02 -0.10 -0.09 -0.04 7.03 6.81 3gnhA1 ASN 119 HD22 -0.20 0.59 0.13 -0.04 7.74 8.22 3gnhA1 ALA 120 H -0.12 0.57 -0.25 -0.55 8.40 8.06 3gnhA1 ALA 120 HA -0.08 -0.08 0.42 -0.75 4.34 3.85 3gnhA1 ALA 120 HB3 -0.06 0.06 0.13 -0.04 1.41 1.50 3gnhA1 LYS 121 H -0.05 0.43 -0.24 -0.55 8.42 8.01 3gnhA1 LYS 121 HA -0.02 0.07 0.35 -0.75 4.32 3.97 3gnhA1 LYS 121 HB2 -0.03 0.13 0.14 -0.04 1.87 2.08 3gnhA1 LYS 121 HB3 -0.03 0.05 0.16 -0.04 1.79 1.94 3gnhA1 LYS 121 HG2 -0.01 -0.04 -0.18 -0.04 1.46 1.19 3gnhA1 LYS 121 HG3 -0.01 -0.00 0.01 -0.04 1.46 1.41 3gnhA1 LYS 121 HD2 -0.01 0.03 0.02 -0.04 1.69 1.68 3gnhA1 LYS 121 HD3 -0.01 -0.05 -0.01 -0.04 1.68 1.57 3gnhA1 LYS 121 HE2 -0.01 -0.02 -0.03 -0.04 2.99 2.90 3gnhA1 LYS 121 HE3 -0.01 0.03 -0.01 -0.04 2.99 2.96 3gnhA1 LYS 122 H -0.03 0.52 -0.13 -0.55 8.42 8.24 3gnhA1 LYS 122 HA 0.01 0.06 0.37 -0.75 4.32 4.01 3gnhA1 LYS 122 HB2 0.00 0.01 0.01 -0.04 1.87 1.86 3gnhA1 LYS 122 HB3 0.03 -0.03 -0.10 -0.04 1.79 1.65 3gnhA1 LYS 122 HG2 0.01 -0.02 0.01 -0.04 1.46 1.42 3gnhA1 LYS 122 HG3 -0.01 0.21 0.05 -0.04 1.46 1.67 3gnhA1 LYS 122 HD2 0.01 -0.08 -0.07 -0.04 1.69 1.51 3gnhA1 LYS 122 HD3 0.02 0.08 -0.02 -0.04 1.68 1.73 3gnhA1 LYS 122 HE2 -0.00 -0.00 -0.07 -0.04 2.99 2.88 3gnhA1 LYS 122 HE3 0.01 -0.08 -0.04 -0.04 2.99 2.85 3gnhA1 THR 123 H -0.01 0.53 -0.31 -0.55 8.28 7.94 3gnhA1 THR 123 HA 0.05 -0.13 0.42 -0.75 4.39 3.98 3gnhA1 THR 123 HB 0.00 0.22 0.13 -0.04 4.32 4.63 3gnhA1 THR 123 HG23 0.04 -0.01 -0.10 -0.04 1.22 1.11 3gnhA1 LEU 124 H 0.02 0.55 -0.15 -0.55 8.37 8.25 3gnhA1 LEU 124 HA 0.06 0.18 0.26 -0.75 4.35 4.10 3gnhA1 LEU 124 HB2 0.00 -0.02 -0.05 -0.04 1.64 1.53 3gnhA1 LEU 124 HB3 -0.00 0.12 0.04 -0.04 1.64 1.75 3gnhA1 LEU 124 HG -0.03 -0.03 -0.35 -0.04 1.64 1.19 3gnhA1 LEU 124 HD13 -0.02 -0.01 -0.24 -0.04 0.93 0.62 3gnhA1 LEU 124 HD23 -0.03 -0.01 -0.15 -0.04 0.89 0.66 3gnhA1 GLU 125 H 0.02 0.55 -0.23 -0.55 8.60 8.40 3gnhA1 GLU 125 HA -0.00 0.03 0.30 -0.75 4.29 3.86 3gnhA1 GLU 125 HB2 0.02 0.05 0.10 -0.04 2.09 2.21 3gnhA1 GLU 125 HB3 0.02 -0.04 0.01 -0.04 1.99 1.94 3gnhA1 GLU 125 HG2 -0.01 0.01 -0.04 -0.04 2.34 2.27 3gnhA1 GLU 125 HG3 -0.00 0.08 0.01 -0.04 2.34 2.39 3gnhA1 ALA 126 H 0.10 0.25 -0.59 -0.55 8.40 7.62 3gnhA1 ALA 126 HA 0.11 0.14 0.55 -0.75 4.34 4.38 3gnhA1 ALA 126 HB3 0.22 -0.01 0.17 -0.04 1.41 1.74 3gnhA1 GLY 127 H 0.07 0.50 -0.53 -0.55 8.43 7.92 3gnhA1 GLY 127 HA2 -0.06 0.02 0.25 -0.51 4.01 3.71 3gnhA1 GLY 127 HA3 -0.08 0.15 0.73 -0.51 4.01 4.29 3gnhA1 PHE 128 H 0.30 0.41 -0.08 -0.55 8.34 8.42 3gnhA1 PHE 128 HA 0.04 0.21 0.80 -0.75 4.62 4.91 3gnhA1 PHE 128 HB2 0.05 0.08 0.02 -0.04 3.15 3.25 3gnhA1 PHE 128 HB3 0.05 -0.04 -0.11 -0.04 3.06 2.93 3gnhA1 PHE 128 HD2 0.10 0.04 -0.39 -0.04 7.28 6.98 3gnhA1 PHE 128 HE2 0.18 0.07 -0.25 -0.04 7.38 7.33 3gnhA1 PHE 128 HZ 0.18 -0.01 -0.34 -0.04 7.32 7.12 3gnhA1 THR 129 H -0.03 0.31 0.14 -0.55 8.28 8.16 3gnhA1 THR 129 HA 0.01 0.11 0.56 -0.75 4.39 4.31 3gnhA1 THR 129 HB -0.04 -0.04 0.11 -0.04 4.32 4.31 3gnhA1 THR 129 HG23 -0.06 0.04 -0.06 -0.04 1.22 1.09 3gnhA1 THR 130 H 0.08 0.45 0.02 -0.55 8.28 8.28 3gnhA1 THR 130 HA 0.02 0.25 0.87 -0.75 4.39 4.77 3gnhA1 THR 130 HB 0.05 -0.04 -0.01 -0.04 4.32 4.27 3gnhA1 THR 130 HG23 0.03 0.01 -0.18 -0.04 1.22 1.04 3gnhA1 VAL 131 H 0.03 0.73 0.25 -0.55 8.24 8.70 3gnhA1 VAL 131 HA 0.08 0.16 0.77 -0.75 4.13 4.39 3gnhA1 VAL 131 HB 0.02 -0.07 -0.01 -0.04 2.12 2.02 3gnhA1 VAL 131 HG13 0.10 -0.04 -0.29 -0.04 0.97 0.70 3gnhA1 VAL 131 HG23 -0.00 -0.01 -0.27 -0.04 0.95 0.62 3gnhA1 ARG 132 H 0.00 0.49 0.18 -0.55 8.46 8.58 3gnhA1 ARG 132 HA -0.02 0.22 0.97 -0.75 4.34 4.75 3gnhA1 ARG 132 HB2 -0.01 0.01 -0.07 -0.04 1.90 1.78 3gnhA1 ARG 132 HB3 -0.04 0.03 0.04 -0.04 1.80 1.79 3gnhA1 ARG 132 HG2 -0.07 -0.05 -0.33 -0.04 1.67 1.18 3gnhA1 ARG 132 HG3 -0.03 0.04 -0.08 -0.04 1.67 1.56 3gnhA1 ARG 132 HD2 -0.03 -0.00 -0.16 -0.04 3.22 2.98 3gnhA1 ARG 132 HD3 -0.02 0.03 -0.12 -0.04 3.22 3.07 3gnhA1 ASN 133 H -0.05 0.52 0.13 -0.55 8.53 8.58 3gnhA1 ASN 133 HA -0.15 0.20 0.65 -0.75 4.76 4.70 3gnhA1 ASN 133 HB2 -0.05 0.07 -0.01 -0.04 2.88 2.84 3gnhA1 ASN 133 HB3 -0.05 -0.13 0.13 -0.04 2.79 2.70 3gnhA1 ASN 133 HD21 0.01 -0.03 -0.15 -0.04 7.03 6.81 3gnhA1 ASN 133 HD22 -0.04 -0.14 -0.32 -0.04 7.74 7.20 3gnhA1 VAL 134 H -0.40 0.42 0.18 -0.55 8.24 7.89 3gnhA1 VAL 134 HA -0.13 0.19 0.86 -0.75 4.13 4.29 3gnhA1 VAL 134 HB -0.26 0.02 0.06 -0.04 2.12 1.91 3gnhA1 VAL 134 HG13 -0.23 0.04 -0.23 -0.04 0.97 0.51 3gnhA1 VAL 134 HG23 -1.00 -0.02 0.03 -0.04 0.95 -0.09 3gnhA1 GLY 135 H -0.04 0.06 -0.40 -0.55 8.43 7.51 3gnhA1 GLY 135 HA2 -0.00 0.03 0.35 -0.51 4.01 3.89 3gnhA1 GLY 135 HA3 0.12 0.19 0.82 -0.51 4.01 4.63 3gnhA1 ALA 136 H -0.04 0.60 0.29 -0.55 8.40 8.71 3gnhA1 ALA 136 HA -0.00 0.17 0.68 -0.75 4.34 4.44 3gnhA1 ALA 136 HB3 -0.01 -0.02 -0.04 -0.04 1.41 1.30 3gnhA1 ALA 137 H -0.04 0.18 0.10 -0.55 8.40 8.10 3gnhA1 ALA 137 HA -0.07 0.16 0.75 -0.75 4.34 4.43 3gnhA1 ALA 137 HB3 -0.06 0.05 0.05 -0.04 1.41 1.41 3gnhA1 ASP 138 H -0.07 0.20 0.17 -0.55 8.40 8.15 3gnhA1 ASP 138 HA -0.13 0.08 0.34 -0.75 4.63 4.17 3gnhA1 ASP 138 HB2 0.03 -0.02 0.01 -0.04 2.71 2.68 3gnhA1 ASP 138 HB3 0.06 0.06 -0.01 -0.04 2.70 2.77 3gnhA1 TYR 139 H -0.32 0.07 -0.32 -0.55 8.29 7.17 3gnhA1 TYR 139 HA 0.01 -0.08 0.20 -0.75 4.56 3.94 3gnhA1 TYR 139 HB2 -0.00 0.26 0.07 -0.04 3.06 3.34 3gnhA1 TYR 139 HB3 0.01 0.02 0.21 -0.04 2.98 3.18 3gnhA1 TYR 139 HD2 0.01 0.03 -0.14 -0.04 7.15 7.01 3gnhA1 TYR 139 HE2 0.05 0.04 -0.02 -0.04 6.85 6.87 3gnhA1 ASP 140 H 0.03 0.48 -0.33 -0.55 8.40 8.03 3gnhA1 ASP 140 HA 0.05 0.14 0.35 -0.75 4.63 4.42 3gnhA1 ASP 140 HB2 0.02 -0.17 0.09 -0.04 2.71 2.61 3gnhA1 ASP 140 HB3 0.03 0.01 -0.09 -0.04 2.70 2.61 3gnhA1 ASP 141 H 0.02 0.03 -0.22 -0.55 8.40 7.68 3gnhA1 ASP 141 HA 0.01 0.11 0.35 -0.75 4.63 4.34 3gnhA1 ASP 141 HB2 -0.00 0.09 -0.02 -0.04 2.71 2.73 3gnhA1 ASP 141 HB3 -0.00 -0.05 0.00 -0.04 2.70 2.60 3gnhA1 VAL 142 H 0.09 0.08 -0.37 -0.55 8.24 7.49 3gnhA1 VAL 142 HA 0.05 0.10 0.44 -0.75 4.13 3.97 3gnhA1 VAL 142 HB 0.14 0.12 0.16 -0.04 2.12 2.50 3gnhA1 VAL 142 HG13 0.05 0.06 -0.03 -0.04 0.97 1.00 3gnhA1 VAL 142 HG23 0.17 0.04 0.01 -0.04 0.95 1.13 3gnhA1 GLY 143 H 0.06 0.42 -0.12 -0.55 8.43 8.25 3gnhA1 GLY 143 HA2 0.02 0.05 0.42 -0.51 4.01 3.99 3gnhA1 GLY 143 HA3 0.02 0.06 0.32 -0.51 4.01 3.90 3gnhA1 LEU 144 H 0.02 0.42 -0.13 -0.55 8.37 8.13 3gnhA1 LEU 144 HA -0.00 0.04 0.39 -0.75 4.35 4.03 3gnhA1 LEU 144 HB2 -0.01 0.02 0.02 -0.04 1.64 1.62 3gnhA1 LEU 144 HB3 -0.01 0.01 0.08 -0.04 1.64 1.69 3gnhA1 LEU 144 HG -0.02 0.05 -0.22 -0.04 1.64 1.41 3gnhA1 LEU 144 HD13 -0.03 0.01 -0.08 -0.04 0.93 0.79 3gnhA1 LEU 144 HD23 -0.05 -0.03 -0.14 -0.04 0.89 0.63 3gnhA1 ARG 145 H 0.01 0.54 -0.16 -0.55 8.46 8.30 3gnhA1 ARG 145 HA 0.00 0.02 0.46 -0.75 4.34 4.06 3gnhA1 ARG 145 HB2 0.01 -0.05 0.15 -0.04 1.90 1.97 3gnhA1 ARG 145 HB3 0.02 0.11 0.25 -0.04 1.80 2.14 3gnhA1 ARG 145 HG2 0.02 0.02 -0.20 -0.04 1.67 1.47 3gnhA1 ARG 145 HG3 0.01 -0.07 0.05 -0.04 1.67 1.62 3gnhA1 ARG 145 HD2 0.02 -0.01 0.07 -0.04 3.22 3.26 3gnhA1 ARG 145 HD3 0.01 0.26 0.18 -0.04 3.22 3.63 3gnhA1 GLU 146 H 0.02 0.51 -0.12 -0.55 8.60 8.46 3gnhA1 GLU 146 HA 0.03 0.04 0.40 -0.75 4.29 4.01 3gnhA1 GLU 146 HB2 0.02 0.07 0.15 -0.04 2.09 2.29 3gnhA1 GLU 146 HB3 0.03 -0.05 0.04 -0.04 1.99 1.97 3gnhA1 GLU 146 HG2 0.02 -0.03 0.05 -0.04 2.34 2.35 3gnhA1 GLU 146 HG3 0.02 0.29 0.14 -0.04 2.34 2.75 3gnhA1 ALA 147 H 0.03 0.48 -0.20 -0.55 8.40 8.17 3gnhA1 ALA 147 HA 0.15 0.02 0.45 -0.75 4.34 4.19 3gnhA1 ALA 147 HB3 0.03 0.01 0.07 -0.04 1.41 1.48 3gnhA1 ILE 148 H 0.03 0.57 -0.10 -0.55 8.25 8.20 3gnhA1 ILE 148 HA 0.02 0.25 0.53 -0.75 4.18 4.22 3gnhA1 ILE 148 HB -0.00 0.02 0.17 -0.04 1.89 2.04 3gnhA1 ILE 148 HG12 -0.01 0.05 -0.34 -0.04 1.49 1.15 3gnhA1 ILE 148 HG13 0.00 0.02 -0.01 -0.04 1.21 1.18 3gnhA1 ILE 148 HG23 -0.03 0.03 -0.23 -0.04 0.93 0.66 3gnhA1 ILE 148 HD13 -0.02 -0.04 -0.17 -0.04 0.88 0.61 3gnhA1 ASP 149 H 0.01 0.69 0.03 -0.55 8.40 8.59 3gnhA1 ASP 149 HA -0.02 0.03 0.41 -0.75 4.63 4.29 3gnhA1 ASP 149 HB2 0.02 0.06 0.14 -0.04 2.71 2.88 3gnhA1 ASP 149 HB3 0.01 -0.05 0.06 -0.04 2.70 2.68 3gnhA1 ALA 150 H 0.07 0.31 -0.45 -0.55 8.40 7.78 3gnhA1 ALA 150 HA 0.00 0.08 0.60 -0.75 4.34 4.27 3gnhA1 ALA 150 HB3 0.20 -0.03 0.12 -0.04 1.41 1.66 3gnhA1 GLY 151 H -0.01 0.42 -0.43 -0.55 8.43 7.85 3gnhA1 GLY 151 HA2 -0.07 0.08 0.27 -0.51 4.01 3.78 3gnhA1 GLY 151 HA3 -0.15 0.07 0.54 -0.51 4.01 3.95 3gnhA1 TYR 152 H 0.08 0.38 -0.01 -0.55 8.29 8.19 3gnhA1 TYR 152 HA -0.01 0.06 0.49 -0.75 4.56 4.35 3gnhA1 TYR 152 HB2 -0.01 0.03 0.11 -0.04 3.06 3.15 3gnhA1 TYR 152 HB3 -0.01 -0.08 -0.00 -0.04 2.98 2.85 3gnhA1 TYR 152 HD2 -0.01 0.02 0.02 -0.04 7.15 7.15 3gnhA1 TYR 152 HE2 -0.00 -0.03 -0.01 -0.04 6.85 6.77 3gnhA1 VAL 153 H 0.08 0.31 -0.10 -0.55 8.24 7.98 3gnhA1 VAL 153 HA 0.03 0.18 0.75 -0.75 4.13 4.33 3gnhA1 VAL 153 HB 0.00 0.05 0.03 -0.04 2.12 2.16 3gnhA1 VAL 153 HG13 0.04 -0.03 -0.24 -0.04 0.97 0.71 3gnhA1 VAL 153 HG23 0.02 -0.03 -0.25 -0.04 0.95 0.66 3gnhA1 PRO 154 HA -0.02 0.14 0.59 -0.51 4.44 4.65 3gnhA1 PRO 154 HB2 -0.02 0.02 -0.03 -0.04 2.28 2.20 3gnhA1 PRO 154 HB3 -0.02 0.05 0.04 -0.04 2.02 2.05 3gnhA1 PRO 154 HG2 -0.02 -0.02 0.09 -0.04 2.03 2.04 3gnhA1 PRO 154 HG3 -0.01 0.03 0.05 -0.04 2.03 2.06 3gnhA1 PRO 154 HD2 -0.00 0.04 0.21 -0.04 3.68 3.88 3gnhA1 PRO 154 HD3 -0.00 0.17 0.10 -0.04 3.65 3.87 3gnhA1 GLY 155 H -0.03 0.30 0.18 -0.55 8.43 8.33 3gnhA1 GLY 155 HA2 -0.02 0.07 0.21 -0.51 4.01 3.76 3gnhA1 GLY 155 HA3 -0.02 0.05 0.31 -0.51 4.01 3.83 3gnhA1 PRO 156 HA -0.02 0.18 0.56 -0.51 4.44 4.65 3gnhA1 PRO 156 HB2 0.03 -0.06 -0.46 -0.04 2.28 1.75 3gnhA1 PRO 156 HB3 0.05 0.38 -0.05 -0.04 2.02 2.35 3gnhA1 PRO 156 HG2 -0.00 -0.06 -0.21 -0.04 2.03 1.72 3gnhA1 PRO 156 HG3 0.02 -0.05 -0.11 -0.04 2.03 1.84 3gnhA1 PRO 156 HD2 -0.02 0.01 0.17 -0.04 3.68 3.79 3gnhA1 PRO 156 HD3 0.00 0.21 0.15 -0.04 3.65 3.97 3gnhA1 ARG 157 H -0.03 0.79 0.37 -0.55 8.46 9.04 3gnhA1 ARG 157 HA -0.05 0.09 0.59 -0.75 4.34 4.22 3gnhA1 ARG 157 HB2 -0.03 -0.10 0.25 -0.04 1.90 1.98 3gnhA1 ARG 157 HB3 -0.06 0.02 0.07 -0.04 1.80 1.79 3gnhA1 ARG 157 HG2 -0.18 0.04 0.06 -0.04 1.67 1.54 3gnhA1 ARG 157 HG3 -0.11 0.17 0.21 -0.04 1.67 1.89 3gnhA1 ARG 157 HD2 -0.10 -0.06 0.02 -0.04 3.22 3.04 3gnhA1 ARG 157 HD3 -0.33 0.02 0.02 -0.04 3.22 2.89 3gnhA1 ILE 158 H -0.01 0.21 0.14 -0.55 8.25 8.04 3gnhA1 ILE 158 HA -0.00 0.30 1.02 -0.75 4.18 4.74 3gnhA1 ILE 158 HB -0.01 -0.01 0.06 -0.04 1.89 1.90 3gnhA1 ILE 158 HG12 -0.01 -0.07 -0.28 -0.04 1.49 1.09 3gnhA1 ILE 158 HG13 -0.01 0.32 -0.23 -0.04 1.21 1.24 3gnhA1 ILE 158 HG23 -0.02 -0.05 -0.31 -0.04 0.93 0.51 3gnhA1 ILE 158 HD13 -0.02 -0.03 -0.15 -0.04 0.88 0.63 3gnhA1 VAL 159 H -0.00 0.64 0.36 -0.55 8.24 8.69 3gnhA1 VAL 159 HA 0.01 0.16 0.70 -0.75 4.13 4.25 3gnhA1 VAL 159 HB -0.01 -0.12 0.17 -0.04 2.12 2.12 3gnhA1 VAL 159 HG13 0.00 0.02 -0.18 -0.04 0.97 0.78 3gnhA1 VAL 159 HG23 0.01 0.03 -0.09 -0.04 0.95 0.87 3gnhA1 THR 160 H 0.01 0.30 0.13 -0.55 8.28 8.17 3gnhA1 THR 160 HA -0.01 0.06 0.82 -0.75 4.39 4.51 3gnhA1 THR 160 HB 0.03 -0.22 -0.13 -0.04 4.32 3.96 3gnhA1 THR 160 HG23 0.01 0.04 -0.26 -0.04 1.22 0.96 3gnhA1 ALA 161 H -0.03 0.40 0.27 -0.55 8.40 8.49 3gnhA1 ALA 161 HA -0.01 0.42 0.75 -0.75 4.34 4.75 3gnhA1 ALA 161 HB3 -0.05 -0.05 -0.01 -0.04 1.41 1.26 3gnhA1 ALA 162 H -0.00 -0.07 -0.20 -0.55 8.40 7.58 3gnhA1 ALA 162 HA -0.01 -0.15 0.21 -0.75 4.34 3.63 3gnhA1 ALA 162 HB3 0.00 0.13 0.03 -0.04 1.41 1.52 3gnhA1 ILE 163 H -0.29 0.22 0.20 -0.55 8.25 7.83 3gnhA1 ILE 163 HA -0.13 0.07 0.89 -0.75 4.18 4.26 3gnhA1 ILE 163 HB -0.57 0.05 0.13 -0.04 1.89 1.46 3gnhA1 ILE 163 HG12 -0.22 0.09 0.09 -0.04 1.49 1.41 3gnhA1 ILE 163 HG13 -0.54 -0.15 -0.03 -0.04 1.21 0.44 3gnhA1 ILE 163 HG23 0.01 0.05 -0.03 -0.04 0.93 0.92 3gnhA1 ILE 163 HD13 -0.20 -0.00 0.05 -0.04 0.88 0.69 3gnhA1 SER 164 H -0.03 0.03 0.17 -0.55 8.46 8.08 3gnhA1 SER 164 HA 0.01 0.19 0.58 -0.75 4.49 4.52 3gnhA1 SER 164 HB2 -0.03 0.04 -0.00 -0.04 3.95 3.91 3gnhA1 SER 164 HB3 -0.01 0.07 -0.05 -0.04 3.93 3.90 3gnhA1 PHE 165 H -0.20 0.30 0.24 -0.55 8.34 8.13 3gnhA1 PHE 165 HA 0.02 0.12 0.60 -0.75 4.62 4.61 3gnhA1 PHE 165 HB2 0.10 0.07 -0.11 -0.04 3.15 3.16 3gnhA1 PHE 165 HB3 0.05 0.04 -0.36 -0.04 3.06 2.75 3gnhA1 PHE 165 HD2 -0.02 0.06 -0.09 -0.04 7.28 7.19 3gnhA1 PHE 165 HE2 -0.00 -0.04 -0.03 -0.04 7.38 7.27 3gnhA1 PHE 165 HZ 0.01 0.03 -0.01 -0.04 7.32 7.31 3gnhA1 GLY 166 H 0.22 0.25 0.02 -0.55 8.43 8.37 3gnhA1 GLY 166 HA2 -0.03 0.15 0.55 -0.51 4.01 4.17 3gnhA1 GLY 166 HA3 0.01 -0.02 0.41 -0.51 4.01 3.90 3gnhA1 ALA 167 H 0.05 0.14 0.12 -0.55 8.40 8.17 3gnhA1 ALA 167 HA 0.08 0.26 0.59 -0.75 4.34 4.51 3gnhA1 ALA 167 HB3 0.04 0.03 0.16 -0.04 1.41 1.60 3gnhA1 THR 168 H 0.05 0.14 0.09 -0.55 8.28 8.01 3gnhA1 THR 168 HA 0.04 0.02 0.45 -0.75 4.39 4.14 3gnhA1 THR 168 HB 0.03 -0.00 0.10 -0.04 4.32 4.40 3gnhA1 THR 168 HG23 0.02 0.02 -0.11 -0.04 1.22 1.11 3gnhA1 GLY 169 H 0.02 0.11 0.16 -0.55 8.43 8.18 3gnhA1 GLY 169 HA2 0.00 0.07 0.31 -0.51 4.01 3.89 3gnhA1 GLY 169 HA3 0.01 0.08 0.37 -0.51 4.01 3.96 3gnhA1 GLY 170 H 0.03 0.37 -0.64 -0.55 8.43 7.64 3gnhA1 GLY 170 HA2 0.03 0.15 0.38 -0.51 4.01 4.06 3gnhA1 GLY 170 HA3 0.04 -0.03 0.18 -0.51 4.01 3.69 3gnhA1 HIS 171 H 0.11 0.18 -0.02 -0.55 8.41 8.13 3gnhA1 HIS 171 HA -0.05 0.08 0.25 -0.75 4.63 4.15 3gnhA1 HIS 171 HB2 -0.04 -0.10 0.01 -0.04 3.26 3.10 3gnhA1 HIS 171 HB3 -0.17 0.07 -0.01 -0.04 3.20 3.04 3gnhA1 HIS 171 HD2 -0.83 0.05 -0.21 -0.04 6.97 5.93 3gnhA1 HIS 171 HE1 0.10 -0.20 -0.08 -0.04 7.75 7.53 3gnhA1 CYS 172 H -0.01 0.00 -0.41 -0.55 8.50 7.53 3gnhA1 CYS 172 HA -0.17 0.20 0.55 -0.75 4.58 4.41 3gnhA1 CYS 172 HB2 0.00 -0.11 -0.26 -0.04 2.97 2.57 3gnhA1 CYS 172 HB3 0.02 0.10 -0.19 -0.04 2.97 2.86 3gnhA1 ASP 173 H -0.03 0.43 -0.51 -0.55 8.40 7.74 3gnhA1 ASP 173 HA 0.03 0.05 0.70 -0.75 4.63 4.65 3gnhA1 ASP 173 HB2 0.03 0.01 -0.02 -0.04 2.71 2.69 3gnhA1 ASP 173 HB3 0.01 0.21 -0.13 -0.04 2.70 2.75 3gnhA1 SER 174 H 0.06 0.02 0.08 -0.55 8.46 8.07 3gnhA1 SER 174 HA 0.11 0.09 0.55 -0.75 4.49 4.48 3gnhA1 SER 174 HB2 0.12 0.00 -0.08 -0.04 3.95 3.95 3gnhA1 SER 174 HB3 0.14 0.14 -0.15 -0.04 3.93 4.01 3gnhA1 THR 175 H 0.04 0.12 0.12 -0.55 8.28 8.02 3gnhA1 THR 175 HA -0.04 0.30 1.02 -0.75 4.39 4.92 3gnhA1 THR 175 HB -0.24 0.17 0.16 -0.04 4.32 4.37 3gnhA1 THR 175 HG23 -0.07 0.04 -0.37 -0.04 1.22 0.78 3gnhA1 PHE 176 H -0.00 0.06 0.00 -0.55 8.34 7.85 3gnhA1 PHE 176 HA -0.16 0.24 0.86 -0.75 4.62 4.79 3gnhA1 PHE 176 HB2 -0.67 -0.00 0.06 -0.04 3.15 2.50 3gnhA1 PHE 176 HB3 -0.41 0.01 0.18 -0.04 3.06 2.79 3gnhA1 PHE 176 HD2 -0.20 -0.03 0.02 -0.04 7.28 7.02 3gnhA1 PHE 176 HE2 -0.11 0.04 0.03 -0.04 7.38 7.29 3gnhA1 PHE 176 HZ -0.06 0.13 -0.19 -0.04 7.32 7.16 3gnhA1 PHE 177 H 0.08 0.18 -0.29 -0.55 8.34 7.76 3gnhA1 PHE 177 HA 0.12 0.25 0.99 -0.75 4.62 5.22 3gnhA1 PHE 177 HB2 0.07 -0.02 -0.07 -0.04 3.15 3.08 3gnhA1 PHE 177 HB3 0.06 0.06 0.02 -0.04 3.06 3.15 3gnhA1 PHE 177 HD2 0.10 0.01 -0.08 -0.04 7.28 7.26 3gnhA1 PHE 177 HE2 0.13 -0.00 -0.06 -0.04 7.38 7.41 3gnhA1 PHE 177 HZ 0.16 0.02 -0.06 -0.04 7.32 7.40 3gnhA1 PRO 178 HA 0.07 0.18 0.51 -0.51 4.44 4.68 3gnhA1 PRO 178 HB2 0.05 -0.05 0.08 -0.04 2.28 2.31 3gnhA1 PRO 178 HB3 0.06 0.08 0.11 -0.04 2.02 2.22 3gnhA1 PRO 178 HG2 0.09 -0.09 0.06 -0.04 2.03 2.05 3gnhA1 PRO 178 HG3 0.07 0.09 0.07 -0.04 2.03 2.23 3gnhA1 PRO 178 HD2 0.28 0.10 0.24 -0.04 3.68 4.26 3gnhA1 PRO 178 HD3 0.13 0.19 0.15 -0.04 3.65 4.08 3gnhA1 PRO 179 HA 0.04 0.09 0.43 -0.51 4.44 4.49 3gnhA1 PRO 179 HB2 0.02 0.06 0.01 -0.04 2.28 2.33 3gnhA1 PRO 179 HB3 0.02 0.06 0.13 -0.04 2.02 2.19 3gnhA1 PRO 179 HG2 0.02 -0.00 0.09 -0.04 2.03 2.10 3gnhA1 PRO 179 HG3 0.02 0.07 0.09 -0.04 2.03 2.17 3gnhA1 PRO 179 HD2 0.03 0.07 0.24 -0.04 3.68 3.99 3gnhA1 PRO 179 HD3 0.03 0.19 0.20 -0.04 3.65 4.04 3gnhA1 SER 180 H 0.03 0.08 -0.29 -0.55 8.46 7.74 3gnhA1 SER 180 HA 0.01 0.09 0.35 -0.75 4.49 4.19 3gnhA1 SER 180 HB2 0.01 0.04 0.03 -0.04 3.95 4.00 3gnhA1 SER 180 HB3 0.01 -0.02 0.07 -0.04 3.93 3.95 3gnhA1 MET 181 H 0.04 0.34 -0.35 -0.55 8.47 7.95 3gnhA1 MET 181 HA -0.02 0.13 0.53 -0.75 4.52 4.41 3gnhA1 MET 181 HB2 0.04 0.08 -0.02 -0.04 2.15 2.22 3gnhA1 MET 181 HB3 -0.11 -0.01 0.03 -0.04 2.03 1.89 3gnhA1 MET 181 HG2 -0.02 0.03 -0.04 -0.04 2.63 2.56 3gnhA1 MET 181 HG3 0.04 -0.09 -0.04 -0.04 2.56 2.43 3gnhA1 MET 181 HE3 -0.17 0.00 -0.01 -0.04 2.10 1.89 3gnhA1 ASP 182 H 0.02 0.31 -0.41 -0.55 8.40 7.77 3gnhA1 ASP 182 HA 0.02 -0.00 0.26 -0.75 4.63 4.15 3gnhA1 ASP 182 HB2 0.00 0.08 -0.06 -0.04 2.71 2.69 3gnhA1 ASP 182 HB3 -0.01 0.07 -0.11 -0.04 2.70 2.61 3gnhA1 GLN 183 H 0.04 0.08 -0.24 -0.55 8.47 7.81 3gnhA1 GLN 183 HA -0.02 0.17 0.73 -0.75 4.36 4.48 3gnhA1 GLN 183 HB2 0.16 -0.05 0.01 -0.04 2.15 2.23 3gnhA1 GLN 183 HB3 0.05 -0.06 -0.07 -0.04 2.02 1.90 3gnhA1 GLN 183 HG2 -0.17 0.01 -0.25 -0.04 2.40 1.95 3gnhA1 GLN 183 HG3 -0.69 -0.06 -0.09 -0.04 2.39 1.50 3gnhA1 GLN 183 HE21 -0.10 -0.06 -0.02 -0.04 6.97 6.74 3gnhA1 GLN 183 HE22 -0.11 0.50 -0.11 -0.04 7.69 7.93 3gnhA1 LYS 184 H 0.01 0.34 0.19 -0.55 8.42 8.40 3gnhA1 LYS 184 HA 0.04 -0.04 0.65 -0.75 4.32 4.22 3gnhA1 LYS 184 HB2 0.02 -0.03 0.02 -0.04 1.87 1.84 3gnhA1 LYS 184 HB3 0.02 0.11 -0.19 -0.04 1.79 1.69 3gnhA1 LYS 184 HG2 0.00 0.09 -0.17 -0.04 1.46 1.35 3gnhA1 LYS 184 HG3 -0.01 0.01 -0.20 -0.04 1.46 1.22 3gnhA1 LYS 184 HD2 0.00 -0.02 -0.10 -0.04 1.69 1.53 3gnhA1 LYS 184 HD3 0.01 -0.01 -0.14 -0.04 1.68 1.50 3gnhA1 LYS 184 HE2 -0.02 0.01 -0.06 -0.04 2.99 2.87 3gnhA1 LYS 184 HE3 -0.01 -0.02 -0.05 -0.04 2.99 2.86 3gnhA1 ASN 185 H 0.04 0.02 0.18 -0.55 8.53 8.23 3gnhA1 ASN 185 HA 0.05 0.15 0.55 -0.75 4.76 4.75 3gnhA1 ASN 185 HB2 0.06 0.08 0.21 -0.04 2.88 3.19 3gnhA1 ASN 185 HB3 0.09 -0.09 0.15 -0.04 2.79 2.89 3gnhA1 ASN 185 HD21 0.16 0.38 0.13 -0.04 7.03 7.66 3gnhA1 ASN 185 HD22 0.10 0.38 0.10 -0.04 7.74 8.27 3gnhA1 PRO 186 HA -0.12 0.10 0.39 -0.51 4.44 4.30 3gnhA1 PRO 186 HB2 -0.43 0.01 0.03 -0.04 2.28 1.85 3gnhA1 PRO 186 HB3 -0.23 0.05 0.13 -0.04 2.02 1.92 3gnhA1 PRO 186 HG2 -0.04 0.01 0.13 -0.04 2.03 2.08 3gnhA1 PRO 186 HG3 -0.06 0.10 0.16 -0.04 2.03 2.20 3gnhA1 PRO 186 HD2 0.08 0.04 0.25 -0.04 3.68 4.00 3gnhA1 PRO 186 HD3 0.02 0.21 0.39 -0.04 3.65 4.22 3gnhA1 PHE 187 H 0.14 0.01 -0.50 -0.55 8.34 7.44 3gnhA1 PHE 187 HA -0.11 0.23 0.67 -0.75 4.62 4.66 3gnhA1 PHE 187 HB2 0.00 0.00 -0.07 -0.04 3.15 3.05 3gnhA1 PHE 187 HB3 -0.31 -0.00 0.04 -0.04 3.06 2.75 3gnhA1 PHE 187 HD2 -0.16 -0.04 -0.00 -0.04 7.28 7.04 3gnhA1 PHE 187 HE2 -0.03 -0.02 -0.02 -0.04 7.38 7.27 3gnhA1 PHE 187 HZ 0.20 0.04 -0.08 -0.04 7.32 7.43 3gnhA1 ASN 188 H 0.05 0.53 -0.32 -0.55 8.53 8.25 3gnhA1 ASN 188 HA 0.15 0.03 0.32 -0.75 4.76 4.51 3gnhA1 ASN 188 HB2 0.03 0.08 0.04 -0.04 2.88 2.99 3gnhA1 ASN 188 HB3 0.05 -0.12 -0.09 -0.04 2.79 2.59 3gnhA1 ASN 188 HD21 0.04 -0.18 0.13 -0.04 7.03 6.98 3gnhA1 ASN 188 HD22 0.03 0.07 0.02 -0.04 7.74 7.82 3gnhA1 SER 189 H 0.18 0.64 0.30 -0.55 8.46 9.04 3gnhA1 SER 189 HA 0.05 0.12 0.84 -0.75 4.49 4.74 3gnhA1 SER 189 HB2 0.31 -0.01 0.04 -0.04 3.95 4.26 3gnhA1 SER 189 HB3 0.12 -0.17 -0.14 -0.04 3.93 3.70 3gnhA1 ASP 190 H 0.04 0.19 0.07 -0.55 8.40 8.15 3gnhA1 ASP 190 HA 0.05 0.21 0.94 -0.75 4.63 5.08 3gnhA1 ASP 190 HB2 0.03 0.04 0.09 -0.04 2.71 2.83 3gnhA1 ASP 190 HB3 0.03 0.03 0.21 -0.04 2.70 2.92 3gnhA1 SER 191 H 0.05 0.29 -0.02 -0.55 8.46 8.23 3gnhA1 SER 191 HA 0.03 0.17 0.46 -0.75 4.49 4.39 3gnhA1 SER 191 HB2 0.02 0.06 0.15 -0.04 3.95 4.14 3gnhA1 SER 191 HB3 0.02 0.23 -0.10 -0.04 3.93 4.04 3gnhA1 PRO 192 HA 0.02 0.13 0.49 -0.51 4.44 4.58 3gnhA1 PRO 192 HB2 0.01 0.03 0.08 -0.04 2.28 2.36 3gnhA1 PRO 192 HB3 -0.00 0.18 0.05 -0.04 2.02 2.21 3gnhA1 PRO 192 HG2 0.01 0.10 -0.01 -0.04 2.03 2.09 3gnhA1 PRO 192 HG3 0.01 -0.06 -0.30 -0.04 2.03 1.64 3gnhA1 PRO 192 HD2 0.02 0.15 0.20 -0.04 3.68 4.01 3gnhA1 PRO 192 HD3 0.02 0.13 0.13 -0.04 3.65 3.89 3gnhA1 ASP 193 H 0.01 0.14 -0.12 -0.55 8.40 7.89 3gnhA1 ASP 193 HA 0.01 0.16 0.45 -0.75 4.63 4.50 3gnhA1 ASP 193 HB2 0.01 -0.03 0.04 -0.04 2.71 2.69 3gnhA1 ASP 193 HB3 0.01 0.08 -0.01 -0.04 2.70 2.74 3gnhA1 GLU 194 H 0.02 0.04 -0.30 -0.55 8.60 7.81 3gnhA1 GLU 194 HA -0.00 0.15 0.51 -0.75 4.29 4.18 3gnhA1 GLU 194 HB2 0.01 0.01 0.07 -0.04 2.09 2.14 3gnhA1 GLU 194 HB3 0.03 -0.13 0.13 -0.04 1.99 1.97 3gnhA1 GLU 194 HG2 -0.00 0.07 -0.06 -0.04 2.34 2.31 3gnhA1 GLU 194 HG3 -0.02 0.06 0.08 -0.04 2.34 2.41 3gnhA1 ALA 195 H 0.05 0.42 -0.16 -0.55 8.40 8.17 3gnhA1 ALA 195 HA 0.08 0.09 0.41 -0.75 4.34 4.16 3gnhA1 ALA 195 HB3 0.18 0.03 0.06 -0.04 1.41 1.64 3gnhA1 ARG 196 H 0.03 0.39 -0.21 -0.55 8.46 8.13 3gnhA1 ARG 196 HA 0.04 0.08 0.36 -0.75 4.34 4.07 3gnhA1 ARG 196 HB2 0.02 0.03 0.07 -0.04 1.90 1.98 3gnhA1 ARG 196 HB3 0.01 0.07 0.14 -0.04 1.80 1.99 3gnhA1 ARG 196 HG2 0.01 -0.01 -0.14 -0.04 1.67 1.49 3gnhA1 ARG 196 HG3 0.01 0.04 0.04 -0.04 1.67 1.72 3gnhA1 ARG 196 HD2 0.01 -0.04 -0.02 -0.04 3.22 3.13 3gnhA1 ARG 196 HD3 0.01 0.03 -0.03 -0.04 3.22 3.19 3gnhA1 LYS 197 H 0.00 0.42 -0.26 -0.55 8.42 8.02 3gnhA1 LYS 197 HA 0.00 0.03 0.40 -0.75 4.32 3.99 3gnhA1 LYS 197 HB2 -0.00 0.01 0.14 -0.04 1.87 1.97 3gnhA1 LYS 197 HB3 -0.02 0.13 0.17 -0.04 1.79 2.03 3gnhA1 LYS 197 HG2 -0.00 0.00 -0.16 -0.04 1.46 1.26 3gnhA1 LYS 197 HG3 -0.00 -0.02 0.05 -0.04 1.46 1.44 3gnhA1 LYS 197 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.61 3gnhA1 LYS 197 HD3 -0.02 0.00 -0.00 -0.04 1.68 1.61 3gnhA1 LYS 197 HE2 -0.02 0.02 -0.03 -0.04 2.99 2.92 3gnhA1 LYS 197 HE3 -0.01 0.00 -0.01 -0.04 2.99 2.93 3gnhA1 ALA 198 H -0.07 0.44 -0.25 -0.55 8.40 7.97 3gnhA1 ALA 198 HA 0.09 -0.01 0.41 -0.75 4.34 4.07 3gnhA1 ALA 198 HB3 -0.64 0.05 0.10 -0.04 1.41 0.88 3gnhA1 VAL 199 H -0.02 0.49 -0.18 -0.55 8.24 7.98 3gnhA1 VAL 199 HA 0.06 0.01 0.39 -0.75 4.13 3.83 3gnhA1 VAL 199 HB 0.05 0.15 0.16 -0.04 2.12 2.43 3gnhA1 VAL 199 HG13 0.05 -0.01 -0.20 -0.04 0.97 0.78 3gnhA1 VAL 199 HG23 0.17 0.05 0.07 -0.04 0.95 1.20 3gnhA1 ARG 200 H 0.01 0.48 -0.17 -0.55 8.46 8.23 3gnhA1 ARG 200 HA 0.00 0.06 0.39 -0.75 4.34 4.04 3gnhA1 ARG 200 HB2 0.01 0.07 0.17 -0.04 1.90 2.11 3gnhA1 ARG 200 HB3 -0.01 -0.05 0.02 -0.04 1.80 1.72 3gnhA1 ARG 200 HG2 0.00 0.00 0.01 -0.04 1.67 1.65 3gnhA1 ARG 200 HG3 0.01 0.14 0.06 -0.04 1.67 1.84 3gnhA1 ARG 200 HD2 0.00 -0.05 -0.11 -0.04 3.22 3.02 3gnhA1 ARG 200 HD3 -0.00 -0.03 -0.02 -0.04 3.22 3.13 3gnhA1 THR 201 H 0.06 0.59 -0.13 -0.55 8.28 8.25 3gnhA1 THR 201 HA 0.01 0.03 0.46 -0.75 4.39 4.13 3gnhA1 THR 201 HB 0.39 0.07 0.13 -0.04 4.32 4.87 3gnhA1 THR 201 HG23 0.40 -0.03 -0.07 -0.04 1.22 1.48 3gnhA1 LEU 202 H 0.05 0.67 -0.07 -0.55 8.37 8.47 3gnhA1 LEU 202 HA 0.17 -0.06 0.43 -0.75 4.35 4.14 3gnhA1 LEU 202 HB2 -0.02 0.14 0.19 -0.04 1.64 1.90 3gnhA1 LEU 202 HB3 -0.03 -0.03 0.04 -0.04 1.64 1.59 3gnhA1 LEU 202 HG -0.49 0.06 0.10 -0.04 1.64 1.26 3gnhA1 LEU 202 HD13 -0.18 -0.00 -0.02 -0.04 0.93 0.69 3gnhA1 LEU 202 HD23 -0.67 -0.05 0.10 -0.04 0.89 0.23 3gnhA1 LYS 203 H 0.02 0.63 -0.11 -0.55 8.42 8.41 3gnhA1 LYS 203 HA 0.02 0.17 0.45 -0.75 4.32 4.21 3gnhA1 LYS 203 HB2 0.02 0.02 0.08 -0.04 1.87 1.95 3gnhA1 LYS 203 HB3 -0.01 0.04 0.12 -0.04 1.79 1.91 3gnhA1 LYS 203 HG2 -0.01 -0.04 -0.17 -0.04 1.46 1.19 3gnhA1 LYS 203 HG3 0.01 0.10 0.03 -0.04 1.46 1.56 3gnhA1 LYS 203 HD2 0.01 0.03 -0.01 -0.04 1.69 1.68 3gnhA1 LYS 203 HD3 0.02 0.00 -0.03 -0.04 1.68 1.63 3gnhA1 LYS 203 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 3gnhA1 LYS 203 HE3 -0.00 0.01 -0.01 -0.04 2.99 2.94 3gnhA1 LYS 204 H -0.08 0.43 -0.26 -0.55 8.42 7.96 3gnhA1 LYS 204 HA -0.16 0.01 0.39 -0.75 4.32 3.80 3gnhA1 LYS 204 HB2 -0.22 0.05 0.16 -0.04 1.87 1.83 3gnhA1 LYS 204 HB3 -0.45 0.18 0.19 -0.04 1.79 1.67 3gnhA1 LYS 204 HG2 -1.11 -0.02 -0.16 -0.04 1.46 0.13 3gnhA1 LYS 204 HG3 -0.33 -0.04 0.07 -0.04 1.46 1.11 3gnhA1 LYS 204 HD2 -0.22 -0.01 0.01 -0.04 1.69 1.42 3gnhA1 LYS 204 HD3 -0.52 -0.01 0.01 -0.04 1.68 1.12 3gnhA1 LYS 204 HE2 -0.27 -0.01 -0.02 -0.04 2.99 2.65 3gnhA1 LYS 204 HE3 -0.16 -0.01 0.00 -0.04 2.99 2.78 3gnhA1 TYR 205 H -0.01 0.32 -0.45 -0.55 8.29 7.59 3gnhA1 TYR 205 HA -0.12 0.20 0.95 -0.75 4.56 4.84 3gnhA1 TYR 205 HB2 -0.13 0.03 0.12 -0.04 3.06 3.04 3gnhA1 TYR 205 HB3 -0.81 -0.11 0.20 -0.04 2.98 2.22 3gnhA1 TYR 205 HD2 -0.02 0.05 -0.01 -0.04 7.15 7.13 3gnhA1 TYR 205 HE2 -0.01 -0.03 -0.02 -0.04 6.85 6.74 3gnhA1 GLY 206 H 0.04 0.51 -0.25 -0.55 8.43 8.18 3gnhA1 GLY 206 HA2 0.05 0.03 0.26 -0.51 4.01 3.84 3gnhA1 GLY 206 HA3 0.09 0.07 0.95 -0.51 4.01 4.60 3gnhA1 ALA 207 H 0.10 0.58 0.00 -0.55 8.40 8.53 3gnhA1 ALA 207 HA 0.05 0.03 0.36 -0.75 4.34 4.03 3gnhA1 ALA 207 HB3 0.04 0.01 -0.19 -0.04 1.41 1.23 3gnhA1 GLN 208 H 0.02 0.78 0.45 -0.55 8.47 9.18 3gnhA1 GLN 208 HA 0.02 0.19 0.78 -0.75 4.36 4.60 3gnhA1 GLN 208 HB2 0.02 -0.16 0.10 -0.04 2.15 2.07 3gnhA1 GLN 208 HB3 0.02 0.02 0.16 -0.04 2.02 2.18 3gnhA1 GLN 208 HG2 0.02 0.05 0.00 -0.04 2.40 2.43 3gnhA1 GLN 208 HG3 0.03 0.21 0.06 -0.04 2.39 2.64 3gnhA1 GLN 208 HE21 0.02 -0.00 0.06 -0.04 6.97 7.01 3gnhA1 GLN 208 HE22 0.02 0.03 0.04 -0.04 7.69 7.74 3gnhA1 VAL 209 H 0.02 0.31 0.10 -0.55 8.24 8.12 3gnhA1 VAL 209 HA 0.03 0.16 0.52 -0.75 4.13 4.08 3gnhA1 VAL 209 HB 0.01 0.09 -0.24 -0.04 2.12 1.94 3gnhA1 VAL 209 HG13 -0.02 -0.04 -0.41 -0.04 0.97 0.46 3gnhA1 VAL 209 HG23 0.01 -0.00 -0.14 -0.04 0.95 0.78 3gnhA1 ILE 210 H 0.03 0.69 0.21 -0.55 8.25 8.63 3gnhA1 ILE 210 HA 0.03 0.28 0.88 -0.75 4.18 4.62 3gnhA1 ILE 210 HB 0.03 0.01 0.10 -0.04 1.89 1.99 3gnhA1 ILE 210 HG12 0.06 0.04 -0.24 -0.04 1.49 1.31 3gnhA1 ILE 210 HG13 0.08 -0.02 -0.06 -0.04 1.21 1.17 3gnhA1 ILE 210 HG23 0.11 0.01 0.01 -0.04 0.93 1.03 3gnhA1 ILE 210 HD13 0.08 0.04 -0.09 -0.04 0.88 0.87 3gnhA1 ILE 212 HA -0.47 0.08 0.46 -0.75 4.18 3.49 3gnhA1 ILE 212 HB -0.34 -0.07 0.03 -0.04 1.89 1.46 3gnhA1 ILE 212 HG12 -0.13 0.18 -0.08 -0.04 1.49 1.42 3gnhA1 ILE 212 HG13 -0.10 -0.17 -0.11 -0.04 1.21 0.79 3gnhA1 ILE 212 HG23 -0.81 -0.00 -0.05 -0.04 0.93 0.02 3gnhA1 ILE 212 HD13 -0.10 -0.01 -0.13 -0.04 0.88 0.60 3gnhA1 CYS 213 H -0.16 0.41 0.21 -0.55 8.50 8.41 3gnhA1 CYS 213 HA 0.11 0.12 0.96 -0.75 4.58 5.02 3gnhA1 CYS 213 HB2 -0.01 -0.09 0.04 -0.04 2.97 2.87 3gnhA1 CYS 213 HB3 0.05 0.01 0.00 -0.04 2.97 2.98 3gnhA1 ALA 214 H 0.10 0.70 0.27 -0.55 8.40 8.93 3gnhA1 ALA 214 HA 0.02 0.06 0.71 -0.75 4.34 4.38 3gnhA1 ALA 214 HB3 0.01 0.04 0.04 -0.04 1.41 1.45 3gnhA1 THR 215 H 0.21 0.30 0.06 -0.55 8.28 8.30 3gnhA1 THR 215 HA 0.06 0.13 0.91 -0.75 4.39 4.74 3gnhA1 THR 215 HB 0.04 0.15 0.07 -0.04 4.32 4.53 3gnhA1 THR 215 HG23 -0.00 -0.01 -0.20 -0.04 1.22 0.98 3gnhA1 GLY 216 H 0.05 0.44 0.18 -0.55 8.43 8.56 3gnhA1 GLY 216 HA2 0.08 -0.01 0.37 -0.51 4.01 3.94 3gnhA1 GLY 216 HA3 0.03 0.11 0.19 -0.51 4.01 3.83 3gnhA1 GLY 217 H 0.01 0.23 -0.13 -0.55 8.43 7.99 3gnhA1 GLY 217 HA2 -0.04 0.14 0.60 -0.51 4.01 4.20 3gnhA1 GLY 217 HA3 -0.46 0.02 0.20 -0.51 4.01 3.26 3gnhA1 VAL 218 H -0.16 0.12 0.09 -0.55 8.24 7.74 3gnhA1 VAL 218 HA -0.26 0.18 0.62 -0.75 4.13 3.91 3gnhA1 VAL 218 HB -0.53 -0.03 0.08 -0.04 2.12 1.60 3gnhA1 VAL 218 HG13 -0.83 0.01 -0.17 -0.04 0.97 -0.06 3gnhA1 VAL 218 HG23 -0.44 0.01 -0.14 -0.04 0.95 0.33 3gnhA1 PHE 219 H 0.14 0.02 0.03 -0.55 8.34 7.98 3gnhA1 PHE 219 HA 0.08 0.19 0.74 -0.75 4.62 4.88 3gnhA1 PHE 219 HB2 0.10 -0.02 0.03 -0.04 3.15 3.22 3gnhA1 PHE 219 HB3 0.03 0.08 0.11 -0.04 3.06 3.23 3gnhA1 PHE 219 HD2 0.03 -0.00 -0.02 -0.04 7.28 7.25 3gnhA1 PHE 219 HE2 0.01 -0.01 -0.07 -0.04 7.38 7.27 3gnhA1 PHE 219 HZ 0.01 -0.02 -0.05 -0.04 7.32 7.22 3gnhA1 SER 220 H 0.23 -0.07 -0.41 -0.55 8.46 7.66 3gnhA1 SER 220 HA 0.13 0.17 0.63 -0.75 4.49 4.66 3gnhA1 SER 220 HB2 -0.02 0.12 -0.04 -0.04 3.95 3.96 3gnhA1 SER 220 HB3 -0.02 0.13 -0.00 -0.04 3.93 4.00 3gnhA1 ARG 221 H -0.46 0.18 0.04 -0.55 8.46 7.68 3gnhA1 ARG 221 HA -0.22 0.17 0.91 -0.75 4.34 4.44 3gnhA1 ARG 221 HB2 -1.29 -0.03 -0.13 -0.04 1.90 0.42 3gnhA1 ARG 221 HB3 -0.89 0.19 -0.05 -0.04 1.80 1.01 3gnhA1 ARG 221 HG2 -0.23 0.04 -0.08 -0.04 1.67 1.36 3gnhA1 ARG 221 HG3 -0.19 -0.08 0.06 -0.04 1.67 1.42 3gnhA1 ARG 221 HD2 -0.08 -0.05 -0.00 -0.04 3.22 3.05 3gnhA1 ARG 221 HD3 -0.18 -0.05 -0.01 -0.04 3.22 2.94 3gnhA1 GLY 222 H -0.12 0.11 0.14 -0.55 8.43 8.01 3gnhA1 GLY 222 HA2 -0.07 -0.01 0.32 -0.51 4.01 3.73 3gnhA1 GLY 222 HA3 -0.09 0.20 0.61 -0.51 4.01 4.22 3gnhA1 ASN 223 H -0.06 0.22 -0.03 -0.55 8.53 8.12 3gnhA1 ASN 223 HA -0.03 0.11 0.49 -0.75 4.76 4.58 3gnhA1 ASN 223 HB2 -0.00 -0.06 0.10 -0.04 2.88 2.87 3gnhA1 ASN 223 HB3 -0.01 0.25 -0.30 -0.04 2.79 2.70 3gnhA1 ASN 223 HD21 0.08 -0.10 -0.31 -0.04 7.03 6.66 3gnhA1 ASN 223 HD22 0.00 0.26 -0.39 -0.04 7.74 7.58 3gnhA1 GLU 224 H -0.02 0.19 0.18 -0.55 8.60 8.40 3gnhA1 GLU 224 HA -0.07 0.33 0.85 -0.75 4.29 4.65 3gnhA1 GLU 224 HB2 -0.03 -0.06 0.06 -0.04 2.09 2.01 3gnhA1 GLU 224 HB3 -0.05 -0.04 0.05 -0.04 1.99 1.90 3gnhA1 GLU 224 HG2 -0.04 -0.02 -0.23 -0.04 2.34 2.01 3gnhA1 GLU 224 HG3 -0.04 0.02 -0.04 -0.04 2.34 2.24 3gnhA1 PRO 225 HA -0.04 0.15 -0.07 -0.51 4.44 3.97 3gnhA1 PRO 225 HB2 -0.18 0.03 -0.09 -0.04 2.28 2.00 3gnhA1 PRO 225 HB3 -0.47 -0.00 -0.07 -0.04 2.02 1.44 3gnhA1 PRO 225 HG2 -0.29 0.14 -0.07 -0.04 2.03 1.77 3gnhA1 PRO 225 HG3 -0.31 0.01 -0.33 -0.04 2.03 1.36 3gnhA1 PRO 225 HD2 -0.12 0.10 0.13 -0.04 3.68 3.75 3gnhA1 PRO 225 HD3 -0.13 0.29 0.16 -0.04 3.65 3.93 3gnhA1 GLY 226 H -0.05 0.16 -0.31 -0.55 8.43 7.68 3gnhA1 GLY 226 HA2 -0.01 -0.07 0.42 -0.51 4.01 3.85 3gnhA1 GLY 226 HA3 -0.02 0.09 0.26 -0.51 4.01 3.82 3gnhA1 GLN 227 H -0.01 0.40 -0.37 -0.55 8.47 7.95 3gnhA1 GLN 227 HA 0.00 0.08 0.67 -0.75 4.36 4.36 3gnhA1 GLN 227 HB2 0.00 -0.02 0.17 -0.04 2.15 2.27 3gnhA1 GLN 227 HB3 0.00 0.15 0.02 -0.04 2.02 2.16 3gnhA1 GLN 227 HG2 -0.01 0.06 -0.02 -0.04 2.40 2.39 3gnhA1 GLN 227 HG3 -0.02 -0.14 0.01 -0.04 2.39 2.21 3gnhA1 GLN 227 HE21 -0.02 0.08 -0.02 -0.04 6.97 6.96 3gnhA1 GLN 227 HE22 -0.02 0.01 -0.02 -0.04 7.69 7.62 3gnhA1 GLN 228 H 0.01 0.12 0.23 -0.55 8.47 8.29 3gnhA1 GLN 228 HA 0.02 0.12 0.66 -0.75 4.36 4.40 3gnhA1 GLN 228 HB2 0.02 -0.13 0.11 -0.04 2.15 2.11 3gnhA1 GLN 228 HB3 0.02 0.01 0.08 -0.04 2.02 2.09 3gnhA1 GLN 228 HG2 0.03 0.06 -0.01 -0.04 2.40 2.44 3gnhA1 GLN 228 HG3 0.03 0.01 0.12 -0.04 2.39 2.50 3gnhA1 GLN 228 HE21 0.06 -0.13 -0.00 -0.04 6.97 6.86 3gnhA1 GLN 228 HE22 0.05 0.61 0.14 -0.04 7.69 8.45 3gnhA1 GLN 229 H 0.04 0.70 0.28 -0.55 8.47 8.94 3gnhA1 GLN 229 HA 0.03 0.22 0.92 -0.75 4.36 4.78 3gnhA1 GLN 229 HB2 0.05 0.05 -0.25 -0.04 2.15 1.96 3gnhA1 GLN 229 HB3 0.04 -0.05 0.02 -0.04 2.02 1.99 3gnhA1 GLN 229 HG2 0.03 0.10 -0.30 -0.04 2.40 2.20 3gnhA1 GLN 229 HG3 0.04 0.06 -0.39 -0.04 2.39 2.06 3gnhA1 GLN 229 HE21 0.04 -0.00 -0.11 -0.04 6.97 6.86 3gnhA1 GLN 229 HE22 0.02 0.06 -0.11 -0.04 7.69 7.62 3gnhA1 LEU 230 H 0.03 0.26 0.22 -0.55 8.37 8.33 3gnhA1 LEU 230 HA 0.03 0.15 0.89 -0.75 4.35 4.67 3gnhA1 LEU 230 HB2 0.01 -0.01 0.12 -0.04 1.64 1.73 3gnhA1 LEU 230 HB3 0.01 0.00 -0.02 -0.04 1.64 1.59 3gnhA1 LEU 230 HG 0.01 0.07 -0.08 -0.04 1.64 1.61 3gnhA1 LEU 230 HD13 -0.06 -0.01 -0.14 -0.04 0.93 0.67 3gnhA1 LEU 230 HD23 0.05 -0.00 0.01 -0.04 0.89 0.90 3gnhA1 THR 231 H 0.03 0.11 0.08 -0.55 8.28 7.96 3gnhA1 THR 231 HA 0.06 0.19 0.51 -0.75 4.39 4.39 3gnhA1 THR 231 HB 0.07 -0.01 0.14 -0.04 4.32 4.48 3gnhA1 THR 231 HG23 0.04 0.05 0.00 -0.04 1.22 1.27 3gnhA1 TYR 232 H 0.17 0.19 0.16 -0.55 8.29 8.26 3gnhA1 TYR 232 HA 0.01 0.18 0.37 -0.75 4.56 4.35 3gnhA1 TYR 232 HB2 0.01 0.04 0.13 -0.04 3.06 3.19 3gnhA1 TYR 232 HB3 0.01 -0.07 0.14 -0.04 2.98 3.02 3gnhA1 TYR 232 HD2 0.01 -0.00 -0.04 -0.04 7.15 7.08 3gnhA1 TYR 232 HE2 0.01 0.05 -0.27 -0.04 6.85 6.60 3gnhA1 GLU 233 H 0.10 0.06 -0.13 -0.55 8.60 8.09 3gnhA1 GLU 233 HA -0.15 0.17 0.37 -0.75 4.29 3.92 3gnhA1 GLU 233 HB2 0.03 -0.08 0.04 -0.04 2.09 2.04 3gnhA1 GLU 233 HB3 0.01 0.05 -0.00 -0.04 1.99 2.00 3gnhA1 GLU 233 HG2 0.06 0.05 0.02 -0.04 2.34 2.44 3gnhA1 GLU 233 HG3 0.10 0.09 0.02 -0.04 2.34 2.51 3gnhA1 GLU 234 H -0.01 0.03 -0.37 -0.55 8.60 7.70 3gnhA1 GLU 234 HA 0.00 0.01 0.40 -0.75 4.29 3.94 3gnhA1 GLU 234 HB2 0.01 0.06 0.06 -0.04 2.09 2.18 3gnhA1 GLU 234 HB3 0.04 0.09 -0.09 -0.04 1.99 1.98 3gnhA1 GLU 234 HG2 0.03 -0.09 -0.28 -0.04 2.34 1.97 3gnhA1 GLU 234 HG3 0.02 -0.08 -0.05 -0.04 2.34 2.20 3gnhA1 MET 235 H -0.07 0.48 -0.20 -0.55 8.47 8.13 3gnhA1 MET 235 HA -0.06 0.05 0.39 -0.75 4.52 4.15 3gnhA1 MET 235 HB2 -0.10 0.09 0.05 -0.04 2.15 2.16 3gnhA1 MET 235 HB3 -0.07 0.05 -0.03 -0.04 2.03 1.94 3gnhA1 MET 235 HG2 -0.04 -0.02 -0.09 -0.04 2.63 2.44 3gnhA1 MET 235 HG3 -0.02 0.04 -0.13 -0.04 2.56 2.41 3gnhA1 MET 235 HE3 0.05 0.03 -0.29 -0.04 2.10 1.85 3gnhA1 LYS 236 H -0.29 0.50 -0.14 -0.55 8.42 7.93 3gnhA1 LYS 236 HA -0.22 0.22 0.45 -0.75 4.32 4.02 3gnhA1 LYS 236 HB2 -0.78 0.04 0.11 -0.04 1.87 1.19 3gnhA1 LYS 236 HB3 -0.30 -0.03 0.12 -0.04 1.79 1.54 3gnhA1 LYS 236 HG2 -0.12 -0.04 -0.13 -0.04 1.46 1.13 3gnhA1 LYS 236 HG3 -0.16 0.15 0.09 -0.04 1.46 1.50 3gnhA1 LYS 236 HD2 -0.17 -0.01 -0.03 -0.04 1.69 1.44 3gnhA1 LYS 236 HD3 -0.08 -0.08 -0.03 -0.04 1.68 1.44 3gnhA1 LYS 236 HE2 0.03 0.09 -0.01 -0.04 2.99 3.07 3gnhA1 LYS 236 HE3 0.07 -0.04 -0.02 -0.04 2.99 2.96 3gnhA1 ALA 237 H -0.09 0.35 -0.28 -0.55 8.40 7.84 3gnhA1 ALA 237 HA -0.04 0.04 0.43 -0.75 4.34 4.02 3gnhA1 ALA 237 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 3gnhA1 VAL 238 H -0.02 0.34 -0.24 -0.55 8.24 7.77 3gnhA1 VAL 238 HA 0.05 0.01 0.33 -0.75 4.13 3.77 3gnhA1 VAL 238 HB -0.03 0.13 0.12 -0.04 2.12 2.31 3gnhA1 VAL 238 HG13 0.02 0.00 -0.19 -0.04 0.97 0.76 3gnhA1 VAL 238 HG23 0.13 0.04 -0.02 -0.04 0.95 1.05 3gnhA1 VAL 239 H -0.10 0.55 -0.16 -0.55 8.24 7.98 3gnhA1 VAL 239 HA -0.25 0.00 0.33 -0.75 4.13 3.46 3gnhA1 VAL 239 HB -0.17 0.11 0.13 -0.04 2.12 2.15 3gnhA1 VAL 239 HG13 -0.51 0.01 -0.15 -0.04 0.97 0.28 3gnhA1 VAL 239 HG23 -0.12 0.00 -0.23 -0.04 0.95 0.57 3gnhA1 ASP 240 H -0.10 0.62 -0.07 -0.55 8.40 8.29 3gnhA1 ASP 240 HA -0.04 0.05 0.38 -0.75 4.63 4.27 3gnhA1 ASP 240 HB2 -0.03 0.01 0.15 -0.04 2.71 2.80 3gnhA1 ASP 240 HB3 -0.01 -0.07 0.01 -0.04 2.70 2.60 3gnhA1 GLU 241 H -0.02 0.49 -0.26 -0.55 8.60 8.26 3gnhA1 GLU 241 HA 0.02 0.01 0.45 -0.75 4.29 4.01 3gnhA1 GLU 241 HB2 0.01 -0.03 0.13 -0.04 2.09 2.17 3gnhA1 GLU 241 HB3 0.02 0.08 0.16 -0.04 1.99 2.21 3gnhA1 GLU 241 HG2 0.02 0.03 0.05 -0.04 2.34 2.40 3gnhA1 GLU 241 HG3 0.03 0.03 -0.20 -0.04 2.34 2.15 3gnhA1 ALA 242 H -0.00 0.66 -0.02 -0.55 8.40 8.50 3gnhA1 ALA 242 HA 0.06 -0.02 0.34 -0.75 4.34 3.97 3gnhA1 ALA 242 HB3 0.05 0.00 -0.06 -0.04 1.41 1.36 3gnhA1 HIS 243 H 0.05 0.68 -0.12 -0.55 8.41 8.48 3gnhA1 HIS 243 HA 0.02 0.11 0.43 -0.75 4.63 4.43 3gnhA1 HIS 243 HB2 0.02 0.08 0.12 -0.04 3.26 3.44 3gnhA1 HIS 243 HB3 0.02 -0.08 0.02 -0.04 3.20 3.12 3gnhA1 HIS 243 HD2 0.02 0.23 -0.05 -0.04 6.97 7.13 3gnhA1 HIS 243 HE1 0.03 0.17 0.05 -0.04 7.75 7.95 3gnhA1 MET 244 H 0.08 0.40 -0.32 -0.55 8.47 8.08 3gnhA1 MET 244 HA 0.05 -0.01 0.44 -0.75 4.52 4.25 3gnhA1 MET 244 HB2 0.04 0.18 0.18 -0.04 2.15 2.51 3gnhA1 MET 244 HB3 0.03 -0.09 0.01 -0.04 2.03 1.95 3gnhA1 MET 244 HG2 0.04 -0.06 0.07 -0.04 2.63 2.64 3gnhA1 MET 244 HG3 0.03 0.24 0.10 -0.04 2.56 2.88 3gnhA1 MET 244 HE3 0.02 -0.01 -0.01 -0.04 2.10 2.06 3gnhA1 ALA 245 H 0.06 0.39 -0.29 -0.55 8.40 8.01 3gnhA1 ALA 245 HA 0.02 0.06 0.63 -0.75 4.34 4.30 3gnhA1 ALA 245 HB3 0.03 -0.00 0.09 -0.04 1.41 1.49 3gnhA1 GLY 246 H 0.05 0.38 -0.52 -0.55 8.43 7.79 3gnhA1 GLY 246 HA2 -0.00 0.02 0.30 -0.51 4.01 3.82 3gnhA1 GLY 246 HA3 0.01 0.00 0.45 -0.51 4.01 3.97 3gnhA1 ILE 247 H 0.07 0.45 -0.14 -0.55 8.25 8.09 3gnhA1 ILE 247 HA 0.04 0.21 0.80 -0.75 4.18 4.47 3gnhA1 ILE 247 HB 0.07 -0.04 -0.06 -0.04 1.89 1.82 3gnhA1 ILE 247 HG12 0.03 0.09 -0.12 -0.04 1.49 1.45 3gnhA1 ILE 247 HG13 0.03 0.10 -0.39 -0.04 1.21 0.91 3gnhA1 ILE 247 HG23 0.05 0.12 -0.30 -0.04 0.93 0.76 3gnhA1 ILE 247 HD13 0.03 -0.03 -0.11 -0.04 0.88 0.74 3gnhA1 LYS 248 H 0.05 0.19 0.16 -0.55 8.42 8.27 3gnhA1 LYS 248 HA 0.20 0.21 0.77 -0.75 4.32 4.74 3gnhA1 LYS 248 HB2 0.05 -0.02 0.05 -0.04 1.87 1.90 3gnhA1 LYS 248 HB3 0.09 -0.07 0.11 -0.04 1.79 1.88 3gnhA1 LYS 248 HG2 0.01 0.02 -0.10 -0.04 1.46 1.35 3gnhA1 LYS 248 HG3 0.02 0.05 -0.08 -0.04 1.46 1.40 3gnhA1 LYS 248 HD2 0.01 0.03 0.02 -0.04 1.69 1.70 3gnhA1 LYS 248 HD3 0.05 -0.04 0.02 -0.04 1.68 1.67 3gnhA1 LYS 248 HE2 0.00 0.05 -0.27 -0.04 2.99 2.73 3gnhA1 LYS 248 HE3 0.01 0.02 -0.36 -0.04 2.99 2.62 3gnhA1 VAL 249 H 0.14 0.17 0.23 -0.55 8.24 8.24 3gnhA1 VAL 249 HA 0.03 0.26 1.04 -0.75 4.13 4.70 3gnhA1 VAL 249 HB 0.01 -0.11 0.10 -0.04 2.12 2.07 3gnhA1 VAL 249 HG13 -0.04 -0.01 -0.24 -0.04 0.97 0.65 3gnhA1 VAL 249 HG23 -0.01 0.01 -0.26 -0.04 0.95 0.65 3gnhA1 ALA 250 H -0.01 0.91 0.35 -0.55 8.40 9.10 3gnhA1 ALA 250 HA 0.02 0.19 0.97 -0.75 4.34 4.76 3gnhA1 ALA 250 HB3 -0.03 -0.02 -0.06 -0.04 1.41 1.26 3gnhA1 ALA 251 H -0.01 0.59 0.32 -0.55 8.40 8.76 3gnhA1 ALA 251 HA -0.02 0.50 1.26 -0.75 4.34 5.32 3gnhA1 ALA 251 HB3 -0.02 -0.03 -0.04 -0.04 1.41 1.28 3gnhA1 HIS 252 H 0.10 0.89 0.42 -0.55 8.41 9.28 3gnhA1 HIS 252 HA -0.02 0.03 0.57 -0.75 4.63 4.46 3gnhA1 HIS 252 HB2 0.13 0.07 0.08 -0.04 3.26 3.51 3gnhA1 HIS 252 HB3 0.06 0.02 0.35 -0.04 3.20 3.58 3gnhA1 HIS 252 HD2 -0.02 -0.25 -0.11 -0.04 6.97 6.55 3gnhA1 HIS 252 HE1 -0.37 -0.14 -0.07 -0.04 7.75 7.12 3gnhA1 ALA 253 H -0.37 0.61 0.27 -0.55 8.40 8.36 3gnhA1 ALA 253 HA -0.20 -0.06 0.51 -0.75 4.34 3.83 3gnhA1 ALA 253 HB3 -0.11 0.03 -0.25 -0.04 1.41 1.04 3gnhA1 HIS 254 H -0.14 0.17 0.08 -0.55 8.41 7.98 3gnhA1 HIS 254 HA -0.15 -0.03 0.76 -0.75 4.63 4.46 3gnhA1 HIS 254 HB2 -0.15 0.22 0.10 -0.04 3.26 3.40 3gnhA1 HIS 254 HB3 -0.14 -0.04 -0.13 -0.04 3.20 2.85 3gnhA1 HIS 254 HD2 -0.25 0.36 0.11 -0.04 6.97 7.14 3gnhA1 HIS 254 HE1 -0.52 0.05 -0.05 -0.04 7.75 7.19 3gnhA1 GLY 255 H 0.02 0.30 0.09 -0.55 8.43 8.30 3gnhA1 GLY 255 HA2 -0.01 0.03 0.31 -0.51 4.01 3.83 3gnhA1 GLY 255 HA3 -0.00 0.10 0.28 -0.51 4.01 3.88 3gnhA1 ALA 256 H -0.01 0.20 0.15 -0.55 8.40 8.19 3gnhA1 ALA 256 HA -0.01 0.10 0.25 -0.75 4.34 3.93 3gnhA1 ALA 256 HB3 0.00 0.08 0.13 -0.04 1.41 1.58 3gnhA1 SER 257 H 0.00 0.16 -0.05 -0.55 8.46 8.02 3gnhA1 SER 257 HA 0.01 0.10 0.45 -0.75 4.49 4.29 3gnhA1 SER 257 HB2 0.01 0.05 0.06 -0.04 3.95 4.04 3gnhA1 SER 257 HB3 0.00 0.04 0.11 -0.04 3.93 4.04 3gnhA1 GLY 258 H 0.00 0.08 -0.37 -0.55 8.43 7.60 3gnhA1 GLY 258 HA2 0.02 0.09 0.37 -0.51 4.01 3.99 3gnhA1 GLY 258 HA3 0.00 0.05 0.16 -0.51 4.01 3.71 3gnhA1 ILE 259 H -0.02 0.41 -0.34 -0.55 8.25 7.75 3gnhA1 ILE 259 HA -0.04 0.09 0.31 -0.75 4.18 3.78 3gnhA1 ILE 259 HB -0.03 0.03 0.04 -0.04 1.89 1.89 3gnhA1 ILE 259 HG12 -0.18 0.04 -0.17 -0.04 1.49 1.14 3gnhA1 ILE 259 HG13 -0.09 0.05 -0.37 -0.04 1.21 0.76 3gnhA1 ILE 259 HG23 -0.06 0.01 -0.20 -0.04 0.93 0.64 3gnhA1 ILE 259 HD13 -0.14 -0.02 -0.36 -0.04 0.88 0.33 3gnhA1 ARG 260 H 0.02 0.51 -0.11 -0.55 8.46 8.33 3gnhA1 ARG 260 HA 0.05 0.06 0.36 -0.75 4.34 4.06 3gnhA1 ARG 260 HB2 0.02 -0.02 0.11 -0.04 1.90 1.98 3gnhA1 ARG 260 HB3 0.02 0.05 0.17 -0.04 1.80 2.00 3gnhA1 ARG 260 HG2 0.01 0.04 -0.20 -0.04 1.67 1.49 3gnhA1 ARG 260 HG3 0.02 -0.02 -0.10 -0.04 1.67 1.53 3gnhA1 ARG 260 HD2 -0.00 0.01 -0.04 -0.04 3.22 3.15 3gnhA1 ARG 260 HD3 -0.00 0.02 -0.06 -0.04 3.22 3.13 3gnhA1 GLU 261 H 0.04 0.61 -0.13 -0.55 8.60 8.57 3gnhA1 GLU 261 HA 0.11 0.04 0.44 -0.75 4.29 4.12 3gnhA1 GLU 261 HB2 0.08 0.08 0.08 -0.04 2.09 2.29 3gnhA1 GLU 261 HB3 0.20 -0.10 0.01 -0.04 1.99 2.06 3gnhA1 GLU 261 HG2 0.03 0.13 0.10 -0.04 2.34 2.56 3gnhA1 GLU 261 HG3 0.06 -0.09 0.01 -0.04 2.34 2.28 3gnhA1 ALA 262 H 0.05 0.49 -0.28 -0.55 8.40 8.11 3gnhA1 ALA 262 HA 0.03 -0.01 0.39 -0.75 4.34 4.00 3gnhA1 ALA 262 HB3 0.01 0.02 0.05 -0.04 1.41 1.45 3gnhA1 VAL 263 H 0.07 0.55 -0.17 -0.55 8.24 8.15 3gnhA1 VAL 263 HA 0.08 0.16 0.32 -0.75 4.13 3.94 3gnhA1 VAL 263 HB 0.08 0.03 0.10 -0.04 2.12 2.29 3gnhA1 VAL 263 HG13 0.07 -0.01 -0.34 -0.04 0.97 0.65 3gnhA1 VAL 263 HG23 0.16 0.05 -0.04 -0.04 0.95 1.07 3gnhA1 ARG 264 H 0.09 0.44 -0.16 -0.55 8.46 8.28 3gnhA1 ARG 264 HA 0.09 0.06 0.35 -0.75 4.34 4.09 3gnhA1 ARG 264 HB2 0.04 0.00 0.10 -0.04 1.90 2.00 3gnhA1 ARG 264 HB3 0.16 0.01 0.12 -0.04 1.80 2.05 3gnhA1 ARG 264 HG2 0.14 0.04 -0.14 -0.04 1.67 1.66 3gnhA1 ARG 264 HG3 -0.00 -0.00 0.03 -0.04 1.67 1.65 3gnhA1 ARG 264 HD2 -0.16 -0.04 -0.03 -0.04 3.22 2.95 3gnhA1 ARG 264 HD3 -0.37 -0.05 -0.03 -0.04 3.22 2.73 3gnhA1 ALA 265 H 0.17 0.38 -0.43 -0.55 8.40 7.97 3gnhA1 ALA 265 HA 0.05 -0.01 0.42 -0.75 4.34 4.05 3gnhA1 ALA 265 HB3 -0.12 -0.03 -0.01 -0.04 1.41 1.21 3gnhA1 GLY 266 H 0.07 0.43 -0.56 -0.55 8.43 7.82 3gnhA1 GLY 266 HA2 0.07 0.10 0.22 -0.51 4.01 3.89 3gnhA1 GLY 266 HA3 0.03 0.08 0.68 -0.51 4.01 4.29 3gnhA1 VAL 267 H 0.03 0.36 -0.04 -0.55 8.24 8.04 3gnhA1 VAL 267 HA 0.02 -0.04 0.35 -0.75 4.13 3.70 3gnhA1 VAL 267 HB 0.04 -0.04 -0.24 -0.04 2.12 1.84 3gnhA1 VAL 267 HG13 0.03 -0.04 -0.27 -0.04 0.97 0.66 3gnhA1 VAL 267 HG23 -0.02 -0.02 -0.08 -0.04 0.95 0.79 3gnhA1 ASP 268 H 0.11 0.11 0.32 -0.55 8.40 8.39 3gnhA1 ASP 268 HA 0.16 0.18 0.55 -0.75 4.63 4.76 3gnhA1 ASP 268 HB2 0.13 0.00 0.24 -0.04 2.71 3.04 3gnhA1 ASP 268 HB3 0.17 0.06 0.09 -0.04 2.70 2.98 3gnhA1 THR 269 H 0.10 0.42 0.27 -0.55 8.28 8.52 3gnhA1 THR 269 HA 0.23 0.31 0.98 -0.75 4.39 5.15 3gnhA1 THR 269 HB 0.12 -0.04 -0.13 -0.04 4.32 4.22 3gnhA1 THR 269 HG23 0.10 0.01 -0.22 -0.04 1.22 1.07 3gnhA1 ILE 270 H 0.18 0.80 0.28 -0.55 8.25 8.96 3gnhA1 ILE 270 HA -0.04 0.16 0.95 -0.75 4.18 4.50 3gnhA1 ILE 270 HB -0.28 -0.02 0.11 -0.04 1.89 1.66 3gnhA1 ILE 270 HG12 0.19 0.15 -0.20 -0.04 1.49 1.58 3gnhA1 ILE 270 HG13 0.07 -0.05 -0.11 -0.04 1.21 1.08 3gnhA1 ILE 270 HG23 -0.29 -0.04 -0.12 -0.04 0.93 0.44 3gnhA1 ILE 270 HD13 0.03 0.01 -0.24 -0.04 0.88 0.63 3gnhA1 GLU 271 H -0.10 0.70 0.20 -0.55 8.60 8.86 3gnhA1 GLU 271 HA -0.15 0.22 0.73 -0.75 4.29 4.33 3gnhA1 GLU 271 HB2 -0.18 -0.11 0.01 -0.04 2.09 1.76 3gnhA1 GLU 271 HB3 -0.29 -0.04 -0.01 -0.04 1.99 1.61 3gnhA1 GLU 271 HG2 -0.03 0.03 -0.28 -0.04 2.34 2.01 3gnhA1 GLU 271 HG3 -0.01 0.03 -0.18 -0.04 2.34 2.14 3gnhA1 HIS 272 H -0.29 0.70 0.26 -0.55 8.41 8.54 3gnhA1 HIS 272 HA -0.15 -0.10 0.43 -0.75 4.63 4.06 3gnhA1 HIS 272 HB2 -0.66 0.17 0.33 -0.04 3.26 3.06 3gnhA1 HIS 272 HB3 -0.34 -0.09 0.03 -0.04 3.20 2.76 3gnhA1 HIS 272 HD2 -0.95 -0.07 -0.12 -0.04 6.97 5.79 3gnhA1 HIS 272 HE1 -0.03 0.02 -0.08 -0.04 7.75 7.62 3gnhA1 ALA 273 H -0.24 0.65 -0.04 -0.55 8.40 8.22 3gnhA1 ALA 273 HA -0.28 0.10 0.24 -0.75 4.34 3.65 3gnhA1 ALA 273 HB3 -0.67 0.03 -0.16 -0.04 1.41 0.56 3gnhA1 SER 274 H -0.02 -0.02 -0.37 -0.55 8.46 7.51 3gnhA1 SER 274 HA 0.01 0.15 0.27 -0.75 4.49 4.17 3gnhA1 SER 274 HB2 0.14 -0.12 0.01 -0.04 3.95 3.94 3gnhA1 SER 274 HB3 0.01 0.03 -0.04 -0.04 3.93 3.89 3gnhA1 LEU 275 H -0.01 0.46 -0.14 -0.55 8.37 8.13 3gnhA1 LEU 275 HA -0.01 0.28 0.86 -0.75 4.35 4.74 3gnhA1 LEU 275 HB2 -0.01 -0.10 0.01 -0.04 1.64 1.49 3gnhA1 LEU 275 HB3 -0.02 -0.02 0.10 -0.04 1.64 1.66 3gnhA1 LEU 275 HG -0.02 -0.09 -0.30 -0.04 1.64 1.19 3gnhA1 LEU 275 HD13 -0.05 -0.04 -0.21 -0.04 0.93 0.60 3gnhA1 LEU 275 HD23 -0.04 0.07 -0.23 -0.04 0.89 0.65 3gnhA1 VAL 276 H -0.02 0.41 -0.38 -0.55 8.24 7.70 3gnhA1 VAL 276 HA 0.00 -0.11 0.30 -0.75 4.13 3.57 3gnhA1 VAL 276 HB -0.05 0.08 0.01 -0.04 2.12 2.11 3gnhA1 VAL 276 HG13 0.14 0.03 -0.10 -0.04 0.97 1.00 3gnhA1 VAL 276 HG23 0.20 0.04 -0.09 -0.04 0.95 1.05 3gnhA1 ASP 277 H 0.04 -0.02 0.20 -0.55 8.40 8.07 3gnhA1 ASP 277 HA 0.02 0.34 0.89 -0.75 4.63 5.13 3gnhA1 ASP 277 HB2 0.01 -0.06 0.21 -0.04 2.71 2.83 3gnhA1 ASP 277 HB3 0.01 0.13 0.08 -0.04 2.70 2.88 3gnhA1 ASP 278 H 0.02 0.20 0.15 -0.55 8.40 8.23 3gnhA1 ASP 278 HA 0.02 0.16 0.37 -0.75 4.63 4.43 3gnhA1 ASP 278 HB2 0.01 -0.05 0.13 -0.04 2.71 2.75 3gnhA1 ASP 278 HB3 0.00 0.09 0.03 -0.04 2.70 2.78 3gnhA1 GLU 279 H 0.01 0.06 -0.12 -0.55 8.60 8.01 3gnhA1 GLU 279 HA 0.01 0.15 0.43 -0.75 4.29 4.12 3gnhA1 GLU 279 HB2 0.00 0.04 0.08 -0.04 2.09 2.18 3gnhA1 GLU 279 HB3 0.01 -0.08 0.05 -0.04 1.99 1.93 3gnhA1 GLU 279 HG2 0.01 0.01 -0.23 -0.04 2.34 2.08 3gnhA1 GLU 279 HG3 0.00 0.05 0.03 -0.04 2.34 2.38 3gnhA1 GLY 280 H 0.04 0.02 -0.29 -0.55 8.43 7.65 3gnhA1 GLY 280 HA2 0.07 0.08 0.38 -0.51 4.01 4.03 3gnhA1 GLY 280 HA3 0.09 -0.02 0.25 -0.51 4.01 3.81 3gnhA1 ILE 281 H 0.07 0.42 -0.17 -0.55 8.25 8.02 3gnhA1 ILE 281 HA 0.01 0.07 0.38 -0.75 4.18 3.88 3gnhA1 ILE 281 HB 0.01 0.05 0.12 -0.04 1.89 2.03 3gnhA1 ILE 281 HG12 0.10 0.02 -0.04 -0.04 1.49 1.52 3gnhA1 ILE 281 HG13 0.12 -0.01 -0.10 -0.04 1.21 1.18 3gnhA1 ILE 281 HG23 -0.06 0.02 -0.16 -0.04 0.93 0.69 3gnhA1 ILE 281 HD13 0.04 0.00 -0.21 -0.04 0.88 0.67 3gnhA1 LYS 282 H 0.00 0.50 -0.12 -0.55 8.42 8.25 3gnhA1 LYS 282 HA -0.03 0.08 0.37 -0.75 4.32 3.99 3gnhA1 LYS 282 HB2 -0.01 0.02 0.12 -0.04 1.87 1.95 3gnhA1 LYS 282 HB3 -0.00 0.03 0.16 -0.04 1.79 1.94 3gnhA1 LYS 282 HG2 -0.01 0.01 -0.20 -0.04 1.46 1.22 3gnhA1 LYS 282 HG3 -0.02 0.02 0.03 -0.04 1.46 1.45 3gnhA1 LYS 282 HD2 -0.01 -0.03 -0.01 -0.04 1.69 1.60 3gnhA1 LYS 282 HD3 -0.01 -0.04 -0.02 -0.04 1.68 1.57 3gnhA1 LYS 282 HE2 -0.01 0.02 -0.04 -0.04 2.99 2.92 3gnhA1 LYS 282 HE3 -0.01 0.03 -0.01 -0.04 2.99 2.95 3gnhA1 LEU 283 H 0.01 0.50 -0.16 -0.55 8.37 8.17 3gnhA1 LEU 283 HA -0.00 0.03 0.43 -0.75 4.35 4.05 3gnhA1 LEU 283 HB2 0.04 0.04 0.15 -0.04 1.64 1.84 3gnhA1 LEU 283 HB3 0.03 0.01 -0.07 -0.04 1.64 1.57 3gnhA1 LEU 283 HG 0.01 0.04 0.06 -0.04 1.64 1.70 3gnhA1 LEU 283 HD13 0.02 -0.04 -0.03 -0.04 0.93 0.84 3gnhA1 LEU 283 HD23 0.01 -0.00 -0.01 -0.04 0.89 0.85 3gnhA1 ALA 284 H 0.01 0.51 -0.21 -0.55 8.40 8.16 3gnhA1 ALA 284 HA -0.01 -0.01 0.38 -0.75 4.34 3.95 3gnhA1 ALA 284 HB3 -0.17 0.04 0.04 -0.04 1.41 1.28 3gnhA1 VAL 285 H -0.10 0.48 -0.18 -0.55 8.24 7.89 3gnhA1 VAL 285 HA -0.14 0.06 0.39 -0.75 4.13 3.69 3gnhA1 VAL 285 HB -0.07 0.04 0.12 -0.04 2.12 2.17 3gnhA1 VAL 285 HG13 -0.07 0.00 -0.10 -0.04 0.97 0.77 3gnhA1 VAL 285 HG23 -0.12 0.08 -0.17 -0.04 0.95 0.70 3gnhA1 GLN 286 H -0.05 0.47 -0.13 -0.55 8.47 8.22 3gnhA1 GLN 286 HA -0.03 0.00 0.40 -0.75 4.36 3.97 3gnhA1 GLN 286 HB2 -0.02 -0.02 0.12 -0.04 2.15 2.19 3gnhA1 GLN 286 HB3 -0.02 0.05 0.20 -0.04 2.02 2.21 3gnhA1 GLN 286 HG2 -0.01 0.05 -0.22 -0.04 2.40 2.18 3gnhA1 GLN 286 HG3 -0.01 -0.04 0.03 -0.04 2.39 2.32 3gnhA1 GLN 286 HE21 -0.00 -0.07 -0.02 -0.04 6.97 6.83 3gnhA1 GLN 286 HE22 -0.00 0.01 -0.03 -0.04 7.69 7.63 3gnhA1 LYS 287 H -0.03 0.60 -0.07 -0.55 8.42 8.37 3gnhA1 LYS 287 HA -0.01 0.10 0.68 -0.75 4.32 4.33 3gnhA1 LYS 287 HB2 0.01 -0.01 0.01 -0.04 1.87 1.84 3gnhA1 LYS 287 HB3 0.02 0.01 0.08 -0.04 1.79 1.87 3gnhA1 LYS 287 HG2 0.01 -0.04 -0.07 -0.04 1.46 1.32 3gnhA1 LYS 287 HG3 0.01 0.03 0.01 -0.04 1.46 1.47 3gnhA1 LYS 287 HD2 0.04 -0.15 -0.07 -0.04 1.69 1.46 3gnhA1 LYS 287 HD3 0.05 0.14 -0.17 -0.04 1.68 1.65 3gnhA1 LYS 287 HE2 0.04 -0.09 -0.00 -0.04 2.99 2.90 3gnhA1 LYS 287 HE3 0.07 0.11 0.02 -0.04 2.99 3.15 3gnhA1 GLY 288 H -0.09 0.30 -0.38 -0.55 8.43 7.72 3gnhA1 GLY 288 HA2 -0.18 0.01 0.32 -0.51 4.01 3.66 3gnhA1 GLY 288 HA3 -0.13 0.02 0.50 -0.51 4.01 3.89 3gnhA1 ALA 289 H -0.09 0.20 0.04 -0.55 8.40 7.99 3gnhA1 ALA 289 HA -0.02 0.25 0.59 -0.75 4.34 4.41 3gnhA1 ALA 289 HB3 0.08 -0.05 -0.01 -0.04 1.41 1.40 3gnhA1 TYR 290 H 0.24 0.58 0.38 -0.55 8.29 8.94 3gnhA1 TYR 290 HA 0.04 0.30 0.86 -0.75 4.56 5.00 3gnhA1 TYR 290 HB2 0.09 -0.08 0.10 -0.04 3.06 3.13 3gnhA1 TYR 290 HB3 0.10 -0.06 -0.09 -0.04 2.98 2.89 3gnhA1 TYR 290 HD2 0.05 0.07 -0.08 -0.04 7.15 7.14 3gnhA1 TYR 290 HE2 0.03 -0.02 -0.04 -0.04 6.85 6.78 3gnhA1 PHE 291 H 0.29 0.68 0.29 -0.55 8.34 9.05 3gnhA1 PHE 291 HA 0.07 0.13 0.88 -0.75 4.62 4.95 3gnhA1 PHE 291 HB2 0.08 0.08 0.01 -0.04 3.15 3.28 3gnhA1 PHE 291 HB3 0.09 -0.06 -0.11 -0.04 3.06 2.93 3gnhA1 PHE 291 HD2 0.04 0.07 -0.40 -0.04 7.28 6.94 3gnhA1 PHE 291 HE2 0.01 -0.01 -0.15 -0.04 7.38 7.19 3gnhA1 PHE 291 HZ 0.00 -0.07 -0.22 -0.04 7.32 6.99 3gnhA1 SER 292 H 0.07 0.75 0.12 -0.55 8.46 8.85 3gnhA1 SER 292 HA 0.10 0.28 0.75 -0.75 4.49 4.87 3gnhA1 SER 292 HB2 0.08 0.08 -0.24 -0.04 3.95 3.82 3gnhA1 SER 292 HB3 0.02 -0.05 0.01 -0.04 3.93 3.87 3gnhA1 MET 293 H 0.10 0.32 -0.00 -0.55 8.47 8.34 3gnhA1 MET 293 HA -0.04 -0.02 0.91 -0.75 4.52 4.61 3gnhA1 MET 293 HB2 0.14 -0.00 0.11 -0.04 2.15 2.36 3gnhA1 MET 293 HB3 0.04 0.04 -0.05 -0.04 2.03 2.01 3gnhA1 MET 293 HG2 0.03 0.19 -0.34 -0.04 2.63 2.47 3gnhA1 MET 293 HG3 0.22 -0.10 -0.30 -0.04 2.56 2.33 3gnhA1 MET 293 HE3 0.11 0.01 -0.18 -0.04 2.10 1.99 3gnhA1 ASP 294 H -0.07 0.11 0.14 -0.55 8.40 8.03 3gnhA1 ASP 294 HA -0.17 0.22 0.70 -0.75 4.63 4.62 3gnhA1 ASP 294 HB2 -0.05 0.05 0.02 -0.04 2.71 2.68 3gnhA1 ASP 294 HB3 -0.18 0.00 -0.20 -0.04 2.70 2.29 3gnhA1 ILE 295 H -0.19 0.49 0.08 -0.55 8.25 8.08 3gnhA1 ILE 295 HA -0.12 0.13 0.44 -0.75 4.18 3.88 3gnhA1 ILE 295 HB -0.23 0.01 0.08 -0.04 1.89 1.71 3gnhA1 ILE 295 HG12 -0.33 0.10 0.07 -0.04 1.49 1.30 3gnhA1 ILE 295 HG13 -0.17 -0.07 -0.21 -0.04 1.21 0.72 3gnhA1 ILE 295 HG23 -0.20 0.02 -0.19 -0.04 0.93 0.52 3gnhA1 ILE 295 HD13 -0.59 0.02 -0.14 -0.04 0.88 0.13 3gnhA1 TYR 296 H -0.06 0.06 -0.25 -0.55 8.29 7.49 3gnhA1 TYR 296 HA -0.11 0.27 0.83 -0.75 4.56 4.80 3gnhA1 TYR 296 HB2 -0.17 0.04 -0.03 -0.04 3.06 2.85 3gnhA1 TYR 296 HB3 -0.30 -0.02 0.06 -0.04 2.98 2.68 3gnhA1 TYR 296 HD2 -0.46 0.03 -0.11 -0.04 7.15 6.56 3gnhA1 TYR 296 HE2 -0.40 0.03 -0.11 -0.04 6.85 6.33 3gnhA1 ASN 297 H -0.17 0.19 -0.03 -0.55 8.53 7.97 3gnhA1 ASN 297 HA -0.72 -0.00 0.19 -0.75 4.76 3.47 3gnhA1 ASN 297 HB2 0.11 -0.02 -0.04 -0.04 2.88 2.90 3gnhA1 ASN 297 HB3 0.06 0.08 0.05 -0.04 2.79 2.94 3gnhA1 ASN 297 HD21 0.07 -0.03 0.00 -0.04 7.03 7.04 3gnhA1 ASN 297 HD22 0.12 0.35 0.10 -0.04 7.74 8.27 3gnhA1 THR 298 H -0.17 0.22 -0.51 -0.55 8.28 7.28 3gnhA1 THR 298 HA -0.05 0.01 0.34 -0.75 4.39 3.93 3gnhA1 THR 298 HB -0.09 0.03 0.05 -0.04 4.32 4.26 3gnhA1 THR 298 HG23 -0.11 0.04 -0.10 -0.04 1.22 1.01 3gnhA1 ASP 299 H -0.29 0.54 -0.15 -0.55 8.40 7.95 3gnhA1 ASP 299 HA -0.08 0.05 0.37 -0.75 4.63 4.22 3gnhA1 ASP 299 HB2 -0.37 0.02 0.05 -0.04 2.71 2.37 3gnhA1 ASP 299 HB3 -0.05 0.00 -0.02 -0.04 2.70 2.59 3gnhA1 TYR 300 H -0.21 0.18 -0.23 -0.55 8.29 7.48 3gnhA1 TYR 300 HA -0.04 0.07 0.44 -0.75 4.56 4.28 3gnhA1 TYR 300 HB2 -0.06 -0.03 0.06 -0.04 3.06 2.98 3gnhA1 TYR 300 HB3 -0.06 0.11 0.11 -0.04 2.98 3.10 3gnhA1 TYR 300 HD2 0.07 0.08 -0.06 -0.04 7.15 7.20 3gnhA1 TYR 300 HE2 0.03 0.11 -0.07 -0.04 6.85 6.88 3gnhA1 THR 301 H 0.06 0.55 -0.04 -0.55 8.28 8.30 3gnhA1 THR 301 HA -0.00 0.03 0.40 -0.75 4.39 4.07 3gnhA1 THR 301 HB 0.05 0.06 0.13 -0.04 4.32 4.51 3gnhA1 THR 301 HG23 0.14 -0.01 -0.11 -0.04 1.22 1.20 3gnhA1 GLN 302 H -0.06 0.63 -0.13 -0.55 8.47 8.37 3gnhA1 GLN 302 HA -0.05 0.01 0.46 -0.75 4.36 4.02 3gnhA1 GLN 302 HB2 -0.05 0.11 0.10 -0.04 2.15 2.26 3gnhA1 GLN 302 HB3 -0.04 -0.02 0.05 -0.04 2.02 1.96 3gnhA1 GLN 302 HG2 -0.05 0.10 0.05 -0.04 2.40 2.46 3gnhA1 GLN 302 HG3 -0.05 -0.03 0.00 -0.04 2.39 2.27 3gnhA1 GLN 302 HE21 -0.06 0.20 0.07 -0.04 6.97 7.14 3gnhA1 GLN 302 HE22 -0.06 -0.06 -0.07 -0.04 7.69 7.46 3gnhA1 ALA 303 H -0.13 0.29 -0.36 -0.55 8.40 7.65 3gnhA1 ALA 303 HA -0.07 0.11 0.71 -0.75 4.34 4.33 3gnhA1 ALA 303 HB3 -0.09 -0.00 0.11 -0.04 1.41 1.39 3gnhA1 GLU 304 H -0.36 0.63 0.12 -0.55 8.60 8.45 3gnhA1 GLU 304 HA -0.15 0.19 1.00 -0.75 4.29 4.57 3gnhA1 GLU 304 HB2 -1.02 0.07 -0.01 -0.04 2.09 1.09 3gnhA1 GLU 304 HB3 -0.23 -0.04 0.05 -0.04 1.99 1.73 3gnhA1 GLU 304 HG2 -0.37 -0.02 -0.12 -0.04 2.34 1.78 3gnhA1 GLU 304 HG3 -0.24 -0.03 -0.05 -0.04 2.34 1.99 3gnhA1 GLY 305 H -0.16 0.53 0.12 -0.55 8.43 8.38 3gnhA1 GLY 305 HA2 -0.03 0.04 0.37 -0.51 4.01 3.89 3gnhA1 GLY 305 HA3 -0.00 0.15 0.40 -0.51 4.01 4.05 3gnhA1 LYS 306 H -0.03 0.21 -0.14 -0.55 8.42 7.90 3gnhA1 LYS 306 HA -0.00 0.19 0.39 -0.75 4.32 4.15 3gnhA1 LYS 306 HB2 -0.02 0.00 0.07 -0.04 1.87 1.89 3gnhA1 LYS 306 HB3 -0.02 0.02 0.03 -0.04 1.79 1.78 3gnhA1 LYS 306 HG2 -0.00 0.00 0.03 -0.04 1.46 1.45 3gnhA1 LYS 306 HG3 -0.01 -0.02 -0.00 -0.04 1.46 1.39 3gnhA1 LYS 306 HD2 -0.01 0.02 -0.12 -0.04 1.69 1.54 3gnhA1 LYS 306 HD3 -0.00 0.03 -0.40 -0.04 1.68 1.27 3gnhA1 LYS 306 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.89 3gnhA1 LYS 306 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.91 3gnhA1 LYS 307 H -0.03 0.12 -0.28 -0.55 8.42 7.67 3gnhA1 LYS 307 HA -0.00 0.02 0.40 -0.75 4.32 3.98 3gnhA1 LYS 307 HB2 -0.02 -0.04 0.10 -0.04 1.87 1.88 3gnhA1 LYS 307 HB3 -0.04 0.12 0.14 -0.04 1.79 1.97 3gnhA1 LYS 307 HG2 -0.00 -0.02 0.00 -0.04 1.46 1.40 3gnhA1 LYS 307 HG3 0.01 0.05 -0.25 -0.04 1.46 1.23 3gnhA1 LYS 307 HD2 0.01 0.00 0.14 -0.04 1.69 1.80 3gnhA1 LYS 307 HD3 0.00 -0.02 0.05 -0.04 1.68 1.67 3gnhA1 LYS 307 HE2 0.02 0.01 0.01 -0.04 2.99 3.00 3gnhA1 LYS 307 HE3 0.01 -0.02 0.02 -0.04 2.99 2.96 3gnhA1 ASN 308 H -0.02 0.41 -0.29 -0.55 8.53 8.08 3gnhA1 ASN 308 HA 0.03 0.16 0.66 -0.75 4.76 4.86 3gnhA1 ASN 308 HB2 0.01 0.01 0.07 -0.04 2.88 2.93 3gnhA1 ASN 308 HB3 0.04 -0.09 0.04 -0.04 2.79 2.74 3gnhA1 ASN 308 HD21 0.11 -0.13 -0.20 -0.04 7.03 6.77 3gnhA1 ASN 308 HD22 0.09 0.02 -0.19 -0.04 7.74 7.61 3gnhA1 GLY 309 H -0.00 0.47 -0.30 -0.55 8.43 8.05 3gnhA1 GLY 309 HA2 0.00 0.03 0.26 -0.51 4.01 3.79 3gnhA1 GLY 309 HA3 -0.01 -0.03 0.84 -0.51 4.01 4.30 3gnhA1 VAL 310 H -0.01 0.46 -0.04 -0.55 8.24 8.09 3gnhA1 VAL 310 HA -0.05 0.13 0.47 -0.75 4.13 3.92 3gnhA1 VAL 310 HB 0.06 -0.10 -0.17 -0.04 2.12 1.87 3gnhA1 VAL 310 HG13 0.22 0.03 -0.11 -0.04 0.97 1.06 3gnhA1 VAL 310 HG23 0.02 0.05 0.00 -0.04 0.95 0.99 3gnhA1 LEU 311 H -0.02 0.13 0.21 -0.55 8.37 8.15 3gnhA1 LEU 311 HA 0.01 0.16 0.52 -0.75 4.35 4.29 3gnhA1 LEU 311 HB2 0.07 -0.05 0.13 -0.04 1.64 1.75 3gnhA1 LEU 311 HB3 0.05 -0.08 0.14 -0.04 1.64 1.71 3gnhA1 LEU 311 HG -0.13 0.07 0.16 -0.04 1.64 1.70 3gnhA1 LEU 311 HD13 0.13 0.01 0.05 -0.04 0.93 1.09 3gnhA1 LEU 311 HD23 0.03 0.02 0.03 -0.04 0.89 0.93 3gnhA1 GLU 312 H 0.02 0.21 0.19 -0.55 8.60 8.47 3gnhA1 GLU 312 HA -0.00 0.10 0.38 -0.75 4.29 4.02 3gnhA1 GLU 312 HB2 0.00 0.08 0.16 -0.04 2.09 2.29 3gnhA1 GLU 312 HB3 0.01 -0.02 0.14 -0.04 1.99 2.08 3gnhA1 GLU 312 HG2 -0.00 0.05 0.00 -0.04 2.34 2.35 3gnhA1 GLU 312 HG3 -0.01 -0.01 -0.19 -0.04 2.34 2.08 3gnhA1 ASP 313 H 0.02 0.11 -0.15 -0.55 8.40 7.83 3gnhA1 ASP 313 HA -0.02 0.08 0.41 -0.75 4.63 4.34 3gnhA1 ASP 313 HB2 0.00 0.02 0.11 -0.04 2.71 2.79 3gnhA1 ASP 313 HB3 0.02 -0.01 0.06 -0.04 2.70 2.73 3gnhA1 ASN 314 H 0.02 0.19 -0.31 -0.55 8.53 7.88 3gnhA1 ASN 314 HA -0.09 0.23 0.65 -0.75 4.76 4.80 3gnhA1 ASN 314 HB2 0.08 0.05 0.09 -0.04 2.88 3.06 3gnhA1 ASN 314 HB3 -0.01 0.00 0.03 -0.04 2.79 2.77 3gnhA1 ASN 314 HD21 0.18 0.02 -0.36 -0.04 7.03 6.83 3gnhA1 ASN 314 HD22 0.04 0.58 0.16 -0.04 7.74 8.47 3gnhA1 LEU 315 H -0.01 0.43 -0.09 -0.55 8.37 8.14 3gnhA1 LEU 315 HA -0.06 0.02 0.35 -0.75 4.35 3.91 3gnhA1 LEU 315 HB2 -0.02 0.08 0.09 -0.04 1.64 1.75 3gnhA1 LEU 315 HB3 -0.03 -0.00 0.00 -0.04 1.64 1.57 3gnhA1 LEU 315 HG 0.02 0.14 -0.24 -0.04 1.64 1.53 3gnhA1 LEU 315 HD13 -0.00 -0.00 -0.12 -0.04 0.93 0.77 3gnhA1 LEU 315 HD23 0.04 -0.02 -0.10 -0.04 0.89 0.77 3gnhA1 ARG 316 H -0.05 0.50 -0.30 -0.55 8.46 8.06 3gnhA1 ARG 316 HA -0.06 0.03 0.44 -0.75 4.34 4.00 3gnhA1 ARG 316 HB2 -0.04 0.04 0.10 -0.04 1.90 1.97 3gnhA1 ARG 316 HB3 -0.05 0.17 0.18 -0.04 1.80 2.06 3gnhA1 ARG 316 HG2 -0.05 -0.04 0.03 -0.04 1.67 1.58 3gnhA1 ARG 316 HG3 -0.04 -0.01 0.00 -0.04 1.67 1.58 3gnhA1 ARG 316 HD2 -0.07 -0.04 -0.55 -0.04 3.22 2.52 3gnhA1 ARG 316 HD3 -0.05 -0.02 -0.07 -0.04 3.22 3.03 3gnhA1 LYS 317 H -0.11 0.48 -0.06 -0.55 8.42 8.17 3gnhA1 LYS 317 HA -0.13 -0.01 0.45 -0.75 4.32 3.87 3gnhA1 LYS 317 HB2 -0.19 0.21 0.29 -0.04 1.87 2.13 3gnhA1 LYS 317 HB3 -0.20 -0.13 0.09 -0.04 1.79 1.51 3gnhA1 LYS 317 HG2 -0.10 -0.12 0.12 -0.04 1.46 1.31 3gnhA1 LYS 317 HG3 -0.09 0.25 0.21 -0.04 1.46 1.79 3gnhA1 LYS 317 HD2 -0.12 -0.10 0.14 -0.04 1.69 1.57 3gnhA1 LYS 317 HD3 -0.08 -0.01 0.17 -0.04 1.68 1.72 3gnhA1 LYS 317 HE2 -0.07 -0.11 0.03 -0.04 2.99 2.80 3gnhA1 LYS 317 HE3 -0.12 0.12 0.25 -0.04 2.99 3.21 3gnhA1 ASP 318 H -0.20 0.50 -0.37 -0.55 8.40 7.78 3gnhA1 ASP 318 HA -0.26 -0.04 0.41 -0.75 4.63 3.98 3gnhA1 ASP 318 HB2 -0.32 0.04 0.07 -0.04 2.71 2.45 3gnhA1 ASP 318 HB3 -0.14 0.22 0.12 -0.04 2.70 2.86 3gnhA1 ARG 319 H -0.11 0.48 -0.16 -0.55 8.46 8.13 3gnhA1 ARG 319 HA -0.08 -0.02 0.48 -0.75 4.34 3.98 3gnhA1 ARG 319 HB2 -0.06 0.16 0.19 -0.04 1.90 2.14 3gnhA1 ARG 319 HB3 -0.05 -0.05 0.05 -0.04 1.80 1.71 3gnhA1 ARG 319 HG2 -0.05 -0.06 0.05 -0.04 1.67 1.57 3gnhA1 ARG 319 HG3 -0.06 0.22 0.10 -0.04 1.67 1.89 3gnhA1 ARG 319 HD2 -0.04 -0.03 0.02 -0.04 3.22 3.14 3gnhA1 ARG 319 HD3 -0.04 -0.00 0.01 -0.04 3.22 3.15 3gnhA1 ASP 320 H -0.11 0.40 -0.27 -0.55 8.40 7.87 3gnhA1 ASP 320 HA -0.07 0.03 0.39 -0.75 4.63 4.23 3gnhA1 ASP 320 HB2 -0.12 0.17 0.17 -0.04 2.71 2.89 3gnhA1 ASP 320 HB3 -0.09 -0.09 0.01 -0.04 2.70 2.49 3gnhA1 ILE 321 H -0.15 0.34 -0.30 -0.55 8.25 7.59 3gnhA1 ILE 321 HA -0.10 0.21 1.00 -0.75 4.18 4.54 3gnhA1 ILE 321 HB -0.15 -0.07 0.01 -0.04 1.89 1.64 3gnhA1 ILE 321 HG12 -0.26 0.20 0.10 -0.04 1.49 1.49 3gnhA1 ILE 321 HG13 -0.17 0.09 -0.19 -0.04 1.21 0.89 3gnhA1 ILE 321 HG23 -0.26 0.01 -0.14 -0.04 0.93 0.50 3gnhA1 ILE 321 HD13 -0.45 -0.04 -0.07 -0.04 0.88 0.28 3gnhA1 GLY 322 H -0.11 0.52 0.02 -0.55 8.43 8.31 3gnhA1 GLY 322 HA2 -0.10 -0.01 0.36 -0.51 4.01 3.75 3gnhA1 GLY 322 HA3 -0.08 0.07 0.36 -0.51 4.01 3.85 3gnhA1 GLU 323 H -0.06 0.22 -0.05 -0.55 8.60 8.17 3gnhA1 GLU 323 HA -0.08 0.10 0.54 -0.75 4.29 4.09 3gnhA1 GLU 323 HB2 -0.02 0.03 0.09 -0.04 2.09 2.15 3gnhA1 GLU 323 HB3 0.00 0.03 -0.01 -0.04 1.99 1.97 3gnhA1 GLU 323 HG2 -0.02 -0.03 0.03 -0.04 2.34 2.29 3gnhA1 GLU 323 HG3 0.01 0.03 0.03 -0.04 2.34 2.37 3gnhA1 LEU 324 H -0.05 0.15 -0.22 -0.55 8.37 7.70 3gnhA1 LEU 324 HA -0.02 0.02 0.41 -0.75 4.35 4.02 3gnhA1 LEU 324 HB2 -0.05 0.04 0.12 -0.04 1.64 1.71 3gnhA1 LEU 324 HB3 -0.02 0.06 0.02 -0.04 1.64 1.66 3gnhA1 LEU 324 HG -0.03 -0.01 0.06 -0.04 1.64 1.62 3gnhA1 LEU 324 HD13 -0.03 0.02 0.05 -0.04 0.93 0.93 3gnhA1 LEU 324 HD23 -0.01 -0.01 0.02 -0.04 0.89 0.86 3gnhA1 GLN 325 H -0.06 0.66 -0.17 -0.55 8.47 8.36 3gnhA1 GLN 325 HA -0.01 0.20 0.50 -0.75 4.36 4.30 3gnhA1 GLN 325 HB2 -0.03 -0.09 0.08 -0.04 2.15 2.06 3gnhA1 GLN 325 HB3 -0.08 0.15 0.10 -0.04 2.02 2.15 3gnhA1 GLN 325 HG2 -0.04 -0.01 -0.32 -0.04 2.40 1.99 3gnhA1 GLN 325 HG3 0.01 0.09 -0.06 -0.04 2.39 2.38 3gnhA1 GLN 325 HE21 0.08 -0.12 -0.04 -0.04 6.97 6.85 3gnhA1 GLN 325 HE22 0.03 0.42 0.03 -0.04 7.69 8.12 3gnhA1 ARG 326 H -0.16 0.35 -0.16 -0.55 8.46 7.94 3gnhA1 ARG 326 HA -0.26 0.01 0.49 -0.75 4.34 3.83 3gnhA1 ARG 326 HB2 -0.48 0.11 0.23 -0.04 1.90 1.71 3gnhA1 ARG 326 HB3 -1.89 -0.01 0.06 -0.04 1.80 -0.08 3gnhA1 ARG 326 HG2 -0.45 -0.05 0.08 -0.04 1.67 1.21 3gnhA1 ARG 326 HG3 -0.27 0.07 0.15 -0.04 1.67 1.59 3gnhA1 ARG 326 HD2 -0.18 -0.05 -0.01 -0.04 3.22 2.94 3gnhA1 ARG 326 HD3 -0.34 -0.02 0.03 -0.04 3.22 2.84 3gnhA1 GLU 327 H -0.07 0.55 -0.04 -0.55 8.60 8.48 3gnhA1 GLU 327 HA 0.14 0.05 0.51 -0.75 4.29 4.25 3gnhA1 GLU 327 HB2 0.03 0.08 0.13 -0.04 2.09 2.29 3gnhA1 GLU 327 HB3 0.07 -0.05 0.09 -0.04 1.99 2.06 3gnhA1 GLU 327 HG2 0.13 -0.03 0.04 -0.04 2.34 2.44 3gnhA1 GLU 327 HG3 0.01 0.45 0.13 -0.04 2.34 2.88 3gnhA1 ASN 328 H 0.03 0.57 -0.18 -0.55 8.53 8.40 3gnhA1 ASN 328 HA 0.06 -0.03 0.53 -0.75 4.76 4.57 3gnhA1 ASN 328 HB2 0.04 0.19 0.22 -0.04 2.88 3.29 3gnhA1 ASN 328 HB3 0.07 -0.08 0.04 -0.04 2.79 2.78 3gnhA1 ASN 328 HD21 0.01 -0.17 0.03 -0.04 7.03 6.86 3gnhA1 ASN 328 HD22 0.01 0.64 0.21 -0.04 7.74 8.56 3gnhA1 PHE 329 H 0.18 0.38 -0.25 -0.55 8.34 8.10 3gnhA1 PHE 329 HA 0.09 0.00 0.46 -0.75 4.62 4.42 3gnhA1 PHE 329 HB2 0.01 -0.03 0.11 -0.04 3.15 3.20 3gnhA1 PHE 329 HB3 -0.02 0.19 0.25 -0.04 3.06 3.45 3gnhA1 PHE 329 HD2 0.12 0.07 -0.01 -0.04 7.28 7.41 3gnhA1 PHE 329 HE2 0.12 0.05 -0.05 -0.04 7.38 7.46 3gnhA1 PHE 329 HZ 0.12 -0.05 -0.07 -0.04 7.32 7.28 3gnhA1 ARG 330 H 0.22 0.39 -0.11 -0.55 8.46 8.40 3gnhA1 ARG 330 HA -0.02 0.18 0.50 -0.75 4.34 4.24 3gnhA1 ARG 330 HB2 0.32 0.07 0.22 -0.04 1.90 2.47 3gnhA1 ARG 330 HB3 0.14 0.08 0.21 -0.04 1.80 2.19 3gnhA1 ARG 330 HG2 0.05 -0.08 -0.17 -0.04 1.67 1.43 3gnhA1 ARG 330 HG3 0.11 0.07 -0.07 -0.04 1.67 1.73 3gnhA1 ARG 330 HD2 0.10 -0.03 0.01 -0.04 3.22 3.26 3gnhA1 ARG 330 HD3 0.06 -0.05 -0.04 -0.04 3.22 3.15 3gnhA1 LYS 331 H 0.04 0.44 -0.13 -0.55 8.42 8.22 3gnhA1 LYS 331 HA -0.00 0.02 0.39 -0.75 4.32 3.97 3gnhA1 LYS 331 HB2 0.03 0.02 0.11 -0.04 1.87 1.99 3gnhA1 LYS 331 HB3 0.03 0.06 0.13 -0.04 1.79 1.97 3gnhA1 LYS 331 HG2 0.00 -0.00 -0.27 -0.04 1.46 1.15 3gnhA1 LYS 331 HG3 0.01 -0.03 0.00 -0.04 1.46 1.40 3gnhA1 LYS 331 HD2 0.03 0.05 -0.11 -0.04 1.69 1.63 3gnhA1 LYS 331 HD3 0.02 -0.08 -0.10 -0.04 1.68 1.47 3gnhA1 LYS 331 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.94 3gnhA1 LYS 331 HE3 0.03 0.06 -0.03 -0.04 2.99 3.01 3gnhA1 ALA 332 H -0.01 0.70 -0.12 -0.55 8.40 8.43 3gnhA1 ALA 332 HA -0.05 -0.05 0.41 -0.75 4.34 3.90 3gnhA1 ALA 332 HB3 0.03 0.00 0.07 -0.04 1.41 1.48 3gnhA1 LEU 333 H -0.27 0.69 -0.17 -0.55 8.37 8.07 3gnhA1 LEU 333 HA -0.20 0.10 0.42 -0.75 4.35 3.91 3gnhA1 LEU 333 HB2 -0.76 -0.01 0.09 -0.04 1.64 0.93 3gnhA1 LEU 333 HB3 -0.32 0.15 0.17 -0.04 1.64 1.60 3gnhA1 LEU 333 HG -0.11 0.01 -0.26 -0.04 1.64 1.24 3gnhA1 LEU 333 HD13 -0.09 -0.02 0.00 -0.04 0.93 0.79 3gnhA1 LEU 333 HD23 -0.08 -0.03 -0.20 -0.04 0.89 0.54 3gnhA1 LYS 334 H -0.10 0.59 -0.08 -0.55 8.42 8.28 3gnhA1 LYS 334 HA -0.05 0.01 0.39 -0.75 4.32 3.92 3gnhA1 LYS 334 HB2 -0.03 0.06 0.15 -0.04 1.87 2.00 3gnhA1 LYS 334 HB3 -0.03 0.07 0.14 -0.04 1.79 1.92 3gnhA1 LYS 334 HG2 -0.02 -0.01 -0.09 -0.04 1.46 1.29 3gnhA1 LYS 334 HG3 -0.02 -0.03 0.07 -0.04 1.46 1.44 3gnhA1 LYS 334 HD2 -0.00 0.01 0.00 -0.04 1.69 1.66 3gnhA1 LYS 334 HD3 -0.01 -0.03 -0.01 -0.04 1.68 1.59 3gnhA1 LYS 334 HE2 -0.00 -0.00 0.01 -0.04 2.99 2.95 3gnhA1 LYS 334 HE3 0.00 -0.05 -0.01 -0.04 2.99 2.90 3gnhA1 ALA 335 H -0.07 0.40 -0.35 -0.55 8.40 7.84 3gnhA1 ALA 335 HA -0.04 0.01 0.46 -0.75 4.34 4.01 3gnhA1 ALA 335 HB3 -0.06 -0.02 0.07 -0.04 1.41 1.37 3gnhA1 GLY 336 H -0.09 0.42 -0.45 -0.55 8.43 7.76 3gnhA1 GLY 336 HA2 -0.07 0.02 0.24 -0.51 4.01 3.69 3gnhA1 GLY 336 HA3 -0.07 0.11 0.80 -0.51 4.01 4.34 3gnhA1 VAL 337 H -0.16 0.41 0.02 -0.55 8.24 7.96 3gnhA1 VAL 337 HA -0.25 0.06 0.37 -0.75 4.13 3.55 3gnhA1 VAL 337 HB -0.32 -0.04 -0.11 -0.04 2.12 1.61 3gnhA1 VAL 337 HG13 -1.02 0.02 -0.22 -0.04 0.97 -0.29 3gnhA1 VAL 337 HG23 -0.39 -0.01 -0.01 -0.04 0.95 0.49 3gnhA1 LYS 338 H -0.20 0.23 0.15 -0.55 8.42 8.05 3gnhA1 LYS 338 HA 0.00 0.02 0.47 -0.75 4.32 4.06 3gnhA1 LYS 338 HB2 -0.29 0.09 0.07 -0.04 1.87 1.69 3gnhA1 LYS 338 HB3 0.15 -0.04 -0.04 -0.04 1.79 1.82 3gnhA1 LYS 338 HG2 -0.04 -0.04 0.03 -0.04 1.46 1.37 3gnhA1 LYS 338 HG3 -0.16 0.07 0.09 -0.04 1.46 1.41 3gnhA1 LYS 338 HD2 -0.52 0.14 -0.06 -0.04 1.69 1.21 3gnhA1 LYS 338 HD3 -0.14 -0.06 -0.03 -0.04 1.68 1.41 3gnhA1 LYS 338 HE2 -0.04 -0.07 0.01 -0.04 2.99 2.85 3gnhA1 LYS 338 HE3 -0.12 0.04 0.03 -0.04 2.99 2.90 3gnhA1 MET 339 H 0.10 0.14 0.21 -0.55 8.47 8.38 3gnhA1 MET 339 HA 0.22 0.22 1.03 -0.75 4.52 5.23 3gnhA1 MET 339 HB2 0.18 -0.05 0.11 -0.04 2.15 2.34 3gnhA1 MET 339 HB3 0.32 -0.02 -0.00 -0.04 2.03 2.29 3gnhA1 MET 339 HG2 -0.01 0.28 -0.10 -0.04 2.63 2.76 3gnhA1 MET 339 HG3 -0.02 -0.05 -0.03 -0.04 2.56 2.42 3gnhA1 MET 339 HE3 -0.16 0.02 -0.11 -0.04 2.10 1.80 3gnhA1 VAL 340 H 0.22 0.59 0.34 -0.55 8.24 8.84 3gnhA1 VAL 340 HA 0.16 0.25 0.96 -0.75 4.13 4.74 3gnhA1 VAL 340 HB 0.06 -0.02 0.01 -0.04 2.12 2.13 3gnhA1 VAL 340 HG13 -0.05 0.00 -0.32 -0.04 0.97 0.56 3gnhA1 VAL 340 HG23 0.10 -0.00 -0.27 -0.04 0.95 0.74 3gnhA1 TYR 341 H 0.24 0.65 0.14 -0.55 8.29 8.78 3gnhA1 TYR 341 HA 0.02 0.06 0.57 -0.75 4.56 4.46 3gnhA1 TYR 341 HB2 0.10 0.00 -0.37 -0.04 3.06 2.76 3gnhA1 TYR 341 HB3 0.09 0.19 0.26 -0.04 2.98 3.48 3gnhA1 TYR 341 HD2 0.02 0.06 -0.06 -0.04 7.15 7.14 3gnhA1 TYR 341 HE2 -0.39 -0.02 -0.20 -0.04 6.85 6.20 3gnhA1 GLY 342 H -0.21 0.37 0.06 -0.55 8.43 8.09 3gnhA1 GLY 342 HA2 -0.05 -0.08 0.78 -0.51 4.01 4.15 3gnhA1 GLY 342 HA3 -0.04 0.10 0.07 -0.51 4.01 3.63 3gnhA1 THR 343 H -0.12 0.11 0.11 -0.55 8.28 7.83 3gnhA1 THR 343 HA -0.20 0.20 0.99 -0.75 4.39 4.62 3gnhA1 THR 343 HB -0.05 -0.05 0.03 -0.04 4.32 4.21 3gnhA1 THR 343 HG23 -0.53 0.07 -0.10 -0.04 1.22 0.62 3gnhA1 ASP 344 H 0.01 0.44 0.20 -0.55 8.40 8.50 3gnhA1 ASP 344 HA 0.25 0.11 0.18 -0.75 4.63 4.42 3gnhA1 ASP 344 HB2 -0.08 -0.05 -0.37 -0.04 2.71 2.17 3gnhA1 ASP 344 HB3 0.14 -0.01 0.28 -0.04 2.70 3.07 3gnhA1 ALA 345 H -0.00 0.14 0.06 -0.55 8.40 8.05 3gnhA1 ALA 345 HA -1.18 0.05 0.30 -0.75 4.34 2.76 3gnhA1 ALA 345 HB3 -0.28 -0.01 0.02 -0.04 1.41 1.10 3gnhA1 GLY 346 H -0.86 0.60 0.17 -0.55 8.43 7.80 3gnhA1 GLY 346 HA2 -0.44 0.03 0.18 -0.51 4.01 3.27 3gnhA1 GLY 346 HA3 -0.09 0.20 0.70 -0.51 4.01 4.31 3gnhA1 ILE 347 H -0.15 0.53 -0.08 -0.55 8.25 8.01 3gnhA1 ILE 347 HA -0.19 0.12 0.51 -0.75 4.18 3.87 3gnhA1 ILE 347 HB 0.14 0.11 0.10 -0.04 1.89 2.20 3gnhA1 ILE 347 HG12 0.08 0.07 -0.08 -0.04 1.49 1.52 3gnhA1 ILE 347 HG13 0.18 -0.07 -0.01 -0.04 1.21 1.27 3gnhA1 ILE 347 HG23 0.12 -0.03 -0.09 -0.04 0.93 0.90 3gnhA1 ILE 347 HD13 -0.29 0.00 -0.09 -0.04 0.88 0.46 3gnhA1 TYR 348 H -0.39 0.03 0.07 -0.55 8.29 7.44 3gnhA1 TYR 348 HA -0.88 0.24 0.63 -0.75 4.56 3.79 3gnhA1 TYR 348 HB2 -0.43 0.06 0.04 -0.04 3.06 2.70 3gnhA1 TYR 348 HB3 -0.12 -0.02 -0.10 -0.04 2.98 2.70 3gnhA1 TYR 348 HD2 -0.07 0.08 -0.18 -0.04 7.15 6.95 3gnhA1 TYR 348 HE2 -0.09 -0.01 -0.54 -0.04 6.85 6.17 3gnhA1 PRO 349 HA -0.29 -0.06 0.42 -0.51 4.44 3.99 3gnhA1 PRO 349 HB2 -0.04 0.01 0.02 -0.04 2.28 2.23 3gnhA1 PRO 349 HB3 -0.06 0.13 0.01 -0.04 2.02 2.06 3gnhA1 PRO 349 HG2 -0.08 0.10 0.02 -0.04 2.03 2.03 3gnhA1 PRO 349 HG3 -0.19 0.02 0.01 -0.04 2.03 1.83 3gnhA1 PRO 349 HD2 -0.33 0.11 0.10 -0.04 3.68 3.52 3gnhA1 PRO 349 HD3 -1.80 0.16 0.13 -0.04 3.65 2.10 3gnhA1 HIS 350 H -0.22 0.11 0.19 -0.55 8.41 7.94 3gnhA1 HIS 350 HA -0.26 -0.06 0.43 -0.75 4.63 3.98 3gnhA1 HIS 350 HB2 -0.09 0.02 0.15 -0.04 3.26 3.30 3gnhA1 HIS 350 HB3 -0.10 0.14 0.03 -0.04 3.20 3.23 3gnhA1 HIS 350 HD2 -0.07 -0.02 0.13 -0.04 6.97 6.95 3gnhA1 HIS 350 HE1 -0.08 -0.15 -0.61 -0.04 7.75 6.86 3gnhA1 GLY 351 H -0.02 0.04 0.13 -0.55 8.43 8.03 3gnhA1 GLY 351 HA2 0.05 0.18 0.22 -0.51 4.01 3.94 3gnhA1 GLY 351 HA3 0.04 0.27 0.75 -0.51 4.01 4.56 3gnhA1 ASP 352 H 0.05 0.46 -0.21 -0.55 8.40 8.15 3gnhA1 ASP 352 HA 0.06 0.26 0.68 -0.75 4.63 4.88 3gnhA1 ASP 352 HB2 0.29 0.17 0.02 -0.04 2.71 3.15 3gnhA1 ASP 352 HB3 0.05 -0.11 0.13 -0.04 2.70 2.72 3gnhA1 ASN 353 H -0.01 0.06 -0.44 -0.55 8.53 7.60 3gnhA1 ASN 353 HA 0.06 -0.04 0.22 -0.75 4.76 4.25 3gnhA1 ASN 353 HB2 -1.07 0.20 -0.08 -0.04 2.88 1.89 3gnhA1 ASN 353 HB3 -0.92 -0.01 -0.03 -0.04 2.79 1.79 3gnhA1 ASN 353 HD21 -0.15 -0.02 -0.00 -0.04 7.03 6.82 3gnhA1 ASN 353 HD22 -0.33 -0.01 -0.02 -0.04 7.74 7.33 3gnhA1 ALA 354 H 0.17 0.25 -0.45 -0.55 8.40 7.83 3gnhA1 ALA 354 HA 0.41 0.08 0.49 -0.75 4.34 4.57 3gnhA1 ALA 354 HB3 0.39 0.05 -0.08 -0.04 1.41 1.73 3gnhA1 LYS 355 H -0.14 0.61 -0.20 -0.55 8.42 8.12 3gnhA1 LYS 355 HA -0.10 0.07 0.36 -0.75 4.32 3.90 3gnhA1 LYS 355 HB2 -1.02 0.05 0.04 -0.04 1.87 0.90 3gnhA1 LYS 355 HB3 -0.85 -0.06 0.01 -0.04 1.79 0.85 3gnhA1 LYS 355 HG2 -0.13 -0.00 0.03 -0.04 1.46 1.32 3gnhA1 LYS 355 HG3 -0.14 0.08 0.09 -0.04 1.46 1.44 3gnhA1 LYS 355 HD2 -0.24 -0.02 0.01 -0.04 1.69 1.40 3gnhA1 LYS 355 HD3 -0.14 -0.05 -0.02 -0.04 1.68 1.44 3gnhA1 LYS 355 HE2 0.02 0.04 0.02 -0.04 2.99 3.02 3gnhA1 LYS 355 HE3 0.08 -0.03 -0.01 -0.04 2.99 2.99 3gnhA1 GLN 356 H -0.23 0.28 -0.40 -0.55 8.47 7.58 3gnhA1 GLN 356 HA -0.10 0.05 0.44 -0.75 4.36 3.99 3gnhA1 GLN 356 HB2 -0.27 -0.07 0.03 -0.04 2.15 1.80 3gnhA1 GLN 356 HB3 -0.37 0.15 -0.02 -0.04 2.02 1.74 3gnhA1 GLN 356 HG2 -0.21 0.08 -0.15 -0.04 2.40 2.08 3gnhA1 GLN 356 HG3 -0.13 -0.07 0.04 -0.04 2.39 2.18 3gnhA1 GLN 356 HE21 -0.41 0.34 -0.07 -0.04 6.97 6.79 3gnhA1 GLN 356 HE22 -0.57 0.02 -0.06 -0.04 7.69 7.03 3gnhA1 PHE 357 H 0.06 0.39 -0.28 -0.55 8.34 7.96 3gnhA1 PHE 357 HA 0.19 0.06 0.29 -0.75 4.62 4.41 3gnhA1 PHE 357 HB2 0.04 0.11 0.00 -0.04 3.15 3.26 3gnhA1 PHE 357 HB3 0.03 -0.04 -0.10 -0.04 3.06 2.90 3gnhA1 PHE 357 HD2 -0.01 0.07 -0.04 -0.04 7.28 7.26 3gnhA1 PHE 357 HE2 -0.24 0.11 -0.06 -0.04 7.38 7.15 3gnhA1 PHE 357 HZ -0.53 0.03 -0.02 -0.04 7.32 6.76 3gnhA1 ALA 358 H 0.17 0.27 -0.30 -0.55 8.40 7.99 3gnhA1 ALA 358 HA 0.11 0.01 0.33 -0.75 4.34 4.04 3gnhA1 ALA 358 HB3 0.07 0.04 0.03 -0.04 1.41 1.51 3gnhA1 VAL 359 H 0.08 0.23 -0.29 -0.55 8.24 7.71 3gnhA1 VAL 359 HA 0.15 0.05 0.41 -0.75 4.13 3.99 3gnhA1 VAL 359 HB 0.03 0.07 0.03 -0.04 2.12 2.20 3gnhA1 VAL 359 HG13 0.12 0.04 -0.11 -0.04 0.97 0.97 3gnhA1 VAL 359 HG23 0.16 0.01 0.02 -0.04 0.95 1.10 3gnhA1 MET 360 H 0.07 0.47 -0.17 -0.55 8.47 8.29 3gnhA1 MET 360 HA -0.12 0.06 0.39 -0.75 4.52 4.08 3gnhA1 MET 360 HB2 0.18 0.13 0.11 -0.04 2.15 2.53 3gnhA1 MET 360 HB3 0.23 -0.02 -0.04 -0.04 2.03 2.16 3gnhA1 MET 360 HG2 -0.62 0.01 -0.00 -0.04 2.63 1.98 3gnhA1 MET 360 HG3 -0.15 0.02 0.00 -0.04 2.56 2.39 3gnhA1 MET 360 HE3 0.27 0.01 -0.10 -0.04 2.10 2.23 3gnhA1 VAL 361 H 0.15 0.39 -0.22 -0.55 8.24 8.00 3gnhA1 VAL 361 HA 0.14 0.30 0.38 -0.75 4.13 4.20 3gnhA1 VAL 361 HB 0.09 0.04 0.11 -0.04 2.12 2.31 3gnhA1 VAL 361 HG13 0.05 0.02 -0.09 -0.04 0.97 0.91 3gnhA1 VAL 361 HG23 0.11 0.00 -0.19 -0.04 0.95 0.83 3gnhA1 ARG 362 H 0.09 0.47 -0.15 -0.55 8.46 8.32 3gnhA1 ARG 362 HA -0.05 -0.01 0.39 -0.75 4.34 3.92 3gnhA1 ARG 362 HB2 -0.00 -0.03 0.12 -0.04 1.90 1.95 3gnhA1 ARG 362 HB3 0.03 0.11 0.16 -0.04 1.80 2.06 3gnhA1 ARG 362 HG2 -0.59 0.02 -0.13 -0.04 1.67 0.94 3gnhA1 ARG 362 HG3 -0.16 -0.04 0.06 -0.04 1.67 1.49 3gnhA1 ARG 362 HD2 -0.01 -0.04 -0.00 -0.04 3.22 3.13 3gnhA1 ARG 362 HD3 0.02 0.01 -0.02 -0.04 3.22 3.19 3gnhA1 TYR 363 H 0.24 0.36 -0.45 -0.55 8.29 7.89 3gnhA1 TYR 363 HA 0.12 0.18 0.98 -0.75 4.56 5.08 3gnhA1 TYR 363 HB2 0.19 0.03 0.16 -0.04 3.06 3.40 3gnhA1 TYR 363 HB3 0.32 -0.03 0.27 -0.04 2.98 3.50 3gnhA1 TYR 363 HD2 0.07 0.14 -0.01 -0.04 7.15 7.31 3gnhA1 TYR 363 HE2 0.03 -0.05 -0.04 -0.04 6.85 6.76 3gnhA1 GLY 364 H 0.11 0.43 -0.44 -0.55 8.43 7.99 3gnhA1 GLY 364 HA2 0.07 -0.05 0.32 -0.51 4.01 3.85 3gnhA1 GLY 364 HA3 0.11 0.17 0.92 -0.51 4.01 4.70 3gnhA1 ALA 365 H 0.29 0.50 -0.07 -0.55 8.40 8.58 3gnhA1 ALA 365 HA 0.11 0.07 0.53 -0.75 4.34 4.29 3gnhA1 ALA 365 HB3 0.27 -0.04 -0.18 -0.04 1.41 1.43 3gnhA1 THR 366 H 0.07 0.06 0.20 -0.55 8.28 8.05 3gnhA1 THR 366 HA 0.05 0.24 0.63 -0.75 4.39 4.56 3gnhA1 THR 366 HB 0.02 0.06 0.19 -0.04 4.32 4.54 3gnhA1 THR 366 HG23 0.02 0.05 0.08 -0.04 1.22 1.33 3gnhA1 PRO 367 HA 0.04 0.03 0.39 -0.51 4.44 4.39 3gnhA1 PRO 367 HB2 -0.01 0.08 0.09 -0.04 2.28 2.40 3gnhA1 PRO 367 HB3 -0.01 0.07 -0.01 -0.04 2.02 2.03 3gnhA1 PRO 367 HG2 0.01 0.20 -0.14 -0.04 2.03 2.06 3gnhA1 PRO 367 HG3 0.03 -0.07 -0.04 -0.04 2.03 1.92 3gnhA1 PRO 367 HD2 0.01 0.16 0.26 -0.04 3.68 4.07 3gnhA1 PRO 367 HD3 0.03 0.20 0.22 -0.04 3.65 4.06 3gnhA1 LEU 368 H -0.01 0.19 -0.15 -0.55 8.37 7.86 3gnhA1 LEU 368 HA -0.04 0.06 0.34 -0.75 4.35 3.96 3gnhA1 LEU 368 HB2 -0.05 0.05 0.10 -0.04 1.64 1.70 3gnhA1 LEU 368 HB3 -0.01 -0.03 0.07 -0.04 1.64 1.63 3gnhA1 LEU 368 HG -0.01 0.02 -0.24 -0.04 1.64 1.36 3gnhA1 LEU 368 HD13 -0.06 0.01 0.03 -0.04 0.93 0.87 3gnhA1 LEU 368 HD23 -0.04 0.04 -0.03 -0.04 0.89 0.82 3gnhA1 GLN 369 H 0.04 0.07 -0.23 -0.55 8.47 7.81 3gnhA1 GLN 369 HA 0.06 0.09 0.42 -0.75 4.36 4.18 3gnhA1 GLN 369 HB2 0.09 -0.04 0.15 -0.04 2.15 2.31 3gnhA1 GLN 369 HB3 0.10 0.07 0.00 -0.04 2.02 2.16 3gnhA1 GLN 369 HG2 0.04 0.08 0.05 -0.04 2.40 2.52 3gnhA1 GLN 369 HG3 0.03 -0.08 0.08 -0.04 2.39 2.38 3gnhA1 GLN 369 HE21 0.00 0.10 -0.00 -0.04 6.97 7.02 3gnhA1 GLN 369 HE22 0.01 0.02 0.01 -0.04 7.69 7.69 3gnhA1 ALA 370 H 0.12 0.51 -0.25 -0.55 8.40 8.23 3gnhA1 ALA 370 HA 0.27 0.03 0.34 -0.75 4.34 4.23 3gnhA1 ALA 370 HB3 0.28 0.01 0.03 -0.04 1.41 1.68 3gnhA1 ILE 371 H 0.01 0.62 -0.12 -0.55 8.25 8.21 3gnhA1 ILE 371 HA -0.14 0.02 0.40 -0.75 4.18 3.70 3gnhA1 ILE 371 HB -0.07 0.09 0.14 -0.04 1.89 2.02 3gnhA1 ILE 371 HG12 -0.38 -0.03 -0.02 -0.04 1.49 1.02 3gnhA1 ILE 371 HG13 -0.19 0.13 0.05 -0.04 1.21 1.15 3gnhA1 ILE 371 HG23 -0.11 -0.02 -0.13 -0.04 0.93 0.63 3gnhA1 ILE 371 HD13 -0.12 -0.02 -0.22 -0.04 0.88 0.49 3gnhA1 GLN 372 H 0.04 0.73 -0.06 -0.55 8.47 8.64 3gnhA1 GLN 372 HA 0.03 -0.11 0.53 -0.75 4.36 4.05 3gnhA1 GLN 372 HB2 0.06 0.12 0.19 -0.04 2.15 2.48 3gnhA1 GLN 372 HB3 0.05 -0.10 0.11 -0.04 2.02 2.04 3gnhA1 GLN 372 HG2 0.01 0.02 0.14 -0.04 2.40 2.52 3gnhA1 GLN 372 HG3 0.00 0.20 0.13 -0.04 2.39 2.68 3gnhA1 GLN 372 HE21 -0.00 -0.02 -0.02 -0.04 6.97 6.89 3gnhA1 GLN 372 HE22 -0.00 0.59 0.17 -0.04 7.69 8.41 3gnhA1 SER 373 H 0.15 0.53 -0.31 -0.55 8.46 8.28 3gnhA1 SER 373 HA 0.15 0.15 0.50 -0.75 4.49 4.52 3gnhA1 SER 373 HB2 0.24 -0.13 -0.35 -0.04 3.95 3.68 3gnhA1 SER 373 HB3 0.22 0.10 0.02 -0.04 3.93 4.23 3gnhA1 ALA 374 H 0.13 0.43 -0.41 -0.55 8.40 8.00 3gnhA1 ALA 374 HA 0.19 0.15 0.95 -0.75 4.34 4.87 3gnhA1 ALA 374 HB3 -0.05 -0.03 0.16 -0.04 1.41 1.45 3gnhA1 THR 375 H 0.06 0.27 -0.33 -0.55 8.28 7.73 3gnhA1 THR 375 HA 0.02 0.18 0.90 -0.75 4.39 4.73 3gnhA1 THR 375 HB -0.00 0.26 0.19 -0.04 4.32 4.73 3gnhA1 THR 375 HG23 -0.04 0.02 -0.20 -0.04 1.22 0.96 3gnhA1 LEU 376 H 0.02 0.12 0.27 -0.55 8.37 8.22 3gnhA1 LEU 376 HA 0.02 0.09 0.40 -0.75 4.35 4.11 3gnhA1 LEU 376 HB2 0.01 -0.03 0.11 -0.04 1.64 1.70 3gnhA1 LEU 376 HB3 0.03 -0.02 0.21 -0.04 1.64 1.82 3gnhA1 LEU 376 HG 0.03 0.02 -0.20 -0.04 1.64 1.45 3gnhA1 LEU 376 HD13 0.01 -0.02 -0.02 -0.04 0.93 0.86 3gnhA1 LEU 376 HD23 0.02 0.01 -0.02 -0.04 0.89 0.85 3gnhA1 THR 377 H 0.06 0.52 0.08 -0.55 8.28 8.38 3gnhA1 THR 377 HA 0.07 0.07 0.43 -0.75 4.39 4.20 3gnhA1 THR 377 HB 0.10 0.06 0.10 -0.04 4.32 4.54 3gnhA1 THR 377 HG23 0.19 0.00 -0.11 -0.04 1.22 1.27 3gnhA1 ALA 378 H 0.04 0.15 -0.31 -0.55 8.40 7.74 3gnhA1 ALA 378 HA -0.05 0.03 0.36 -0.75 4.34 3.92 3gnhA1 ALA 378 HB3 0.06 0.08 -0.05 -0.04 1.41 1.46 3gnhA1 ALA 379 H 0.01 0.63 -0.23 -0.55 8.40 8.26 3gnhA1 ALA 379 HA 0.00 -0.00 0.21 -0.75 4.34 3.79 3gnhA1 ALA 379 HB3 0.02 0.03 -0.18 -0.04 1.41 1.23 3gnhA1 GLU 380 H -0.01 0.43 -0.31 -0.55 8.60 8.15 3gnhA1 GLU 380 HA 0.01 -0.07 0.44 -0.75 4.29 3.91 3gnhA1 GLU 380 HB2 0.04 0.02 0.13 -0.04 2.09 2.24 3gnhA1 GLU 380 HB3 0.03 0.18 0.17 -0.04 1.99 2.33 3gnhA1 GLU 380 HG2 0.21 0.06 -0.17 -0.04 2.34 2.41 3gnhA1 GLU 380 HG3 0.09 -0.06 0.05 -0.04 2.34 2.37 3gnhA1 ALA 381 H -0.26 0.50 -0.20 -0.55 8.40 7.89 3gnhA1 ALA 381 HA -0.46 0.10 0.40 -0.75 4.34 3.62 3gnhA1 ALA 381 HB3 -0.76 -0.00 0.02 -0.04 1.41 0.62 3gnhA1 LEU 382 H -0.08 0.27 -0.48 -0.55 8.37 7.53 3gnhA1 LEU 382 HA -0.03 0.09 0.60 -0.75 4.35 4.25 3gnhA1 LEU 382 HB2 -0.01 0.01 0.03 -0.04 1.64 1.63 3gnhA1 LEU 382 HB3 -0.00 -0.03 -0.02 -0.04 1.64 1.55 3gnhA1 LEU 382 HG -0.03 0.15 -0.16 -0.04 1.64 1.57 3gnhA1 LEU 382 HD13 0.02 -0.04 -0.22 -0.04 0.93 0.64 3gnhA1 LEU 382 HD23 -0.01 -0.01 -0.13 -0.04 0.89 0.70 3gnhA1 GLY 383 H -0.02 0.30 -0.35 -0.55 8.43 7.80 3gnhA1 GLY 383 HA2 0.01 0.02 0.34 -0.51 4.01 3.87 3gnhA1 GLY 383 HA3 0.00 0.13 0.51 -0.51 4.01 4.14 3gnhA1 ARG 384 H 0.00 0.56 -0.06 -0.55 8.46 8.41 3gnhA1 ARG 384 HA 0.01 0.22 0.89 -0.75 4.34 4.71 3gnhA1 ARG 384 HB2 0.03 -0.00 -0.02 -0.04 1.90 1.86 3gnhA1 ARG 384 HB3 0.05 -0.13 0.15 -0.04 1.80 1.83 3gnhA1 ARG 384 HG2 0.03 0.04 -0.11 -0.04 1.67 1.60 3gnhA1 ARG 384 HG3 0.02 0.23 -0.54 -0.04 1.67 1.34 3gnhA1 ARG 384 HD2 0.03 0.06 -0.08 -0.04 3.22 3.19 3gnhA1 ARG 384 HD3 0.03 -0.05 -0.11 -0.04 3.22 3.05 3gnhA1 SER 385 H 0.01 0.21 -0.18 -0.55 8.46 7.95 3gnhA1 SER 385 HA 0.01 0.15 0.33 -0.75 4.49 4.23 3gnhA1 SER 385 HB2 0.01 0.01 -0.01 -0.04 3.95 3.92 3gnhA1 SER 385 HB3 0.01 0.01 -0.02 -0.04 3.93 3.89 3gnhA1 LYS 386 H -0.00 0.08 -0.34 -0.55 8.42 7.61 3gnhA1 LYS 386 HA -0.02 0.12 0.45 -0.75 4.32 4.12 3gnhA1 LYS 386 HB2 -0.02 0.01 -0.01 -0.04 1.87 1.81 3gnhA1 LYS 386 HB3 -0.04 0.05 0.04 -0.04 1.79 1.79 3gnhA1 LYS 386 HG2 -0.01 -0.05 -0.04 -0.04 1.46 1.32 3gnhA1 LYS 386 HG3 -0.02 0.02 -0.01 -0.04 1.46 1.41 3gnhA1 LYS 386 HD2 -0.02 0.03 -0.01 -0.04 1.69 1.66 3gnhA1 LYS 386 HD3 -0.01 0.02 -0.16 -0.04 1.68 1.49 3gnhA1 LYS 386 HE2 -0.01 -0.01 -0.05 -0.04 2.99 2.88 3gnhA1 LYS 386 HE3 -0.00 -0.02 -0.06 -0.04 2.99 2.87 3gnhA1 ASP 387 H -0.00 0.32 -0.34 -0.55 8.40 7.82 3gnhA1 ASP 387 HA -0.15 0.25 1.13 -0.75 4.63 5.10 3gnhA1 ASP 387 HB2 0.08 0.04 0.10 -0.04 2.71 2.88 3gnhA1 ASP 387 HB3 0.11 -0.05 0.06 -0.04 2.70 2.78 3gnhA1 VAL 388 H 0.04 0.54 0.21 -0.55 8.24 8.48 3gnhA1 VAL 388 HA 0.08 0.18 0.91 -0.75 4.13 4.55 3gnhA1 VAL 388 HB 0.06 -0.09 0.14 -0.04 2.12 2.18 3gnhA1 VAL 388 HG13 0.18 -0.01 -0.19 -0.04 0.97 0.92 3gnhA1 VAL 388 HG23 0.05 0.01 -0.13 -0.04 0.95 0.84 3gnhA1 GLY 389 H 0.03 0.18 0.12 -0.55 8.43 8.22 3gnhA1 GLY 389 HA2 0.02 0.04 0.29 -0.51 4.01 3.84 3gnhA1 GLY 389 HA3 0.02 0.18 0.43 -0.51 4.01 4.13 3gnhA1 GLN 390 H 0.02 0.28 -0.32 -0.55 8.47 7.91 3gnhA1 GLN 390 HA 0.01 0.06 0.71 -0.75 4.36 4.38 3gnhA1 GLN 390 HB2 0.01 0.13 -0.15 -0.04 2.15 2.09 3gnhA1 GLN 390 HB3 0.01 -0.04 -0.15 -0.04 2.02 1.79 3gnhA1 GLN 390 HG2 0.00 -0.14 0.01 -0.04 2.40 2.24 3gnhA1 GLN 390 HG3 0.01 0.06 -0.51 -0.04 2.39 1.91 3gnhA1 GLN 390 HE21 0.01 -0.01 -0.07 -0.04 6.97 6.86 3gnhA1 GLN 390 HE22 0.01 0.14 -0.08 -0.04 7.69 7.72 3gnhA1 VAL 391 H 0.01 0.12 0.07 -0.55 8.24 7.90 3gnhA1 VAL 391 HA 0.02 0.22 0.72 -0.75 4.13 4.34 3gnhA1 VAL 391 HB 0.02 -0.04 0.15 -0.04 2.12 2.21 3gnhA1 VAL 391 HG13 0.03 0.00 -0.14 -0.04 0.97 0.82 3gnhA1 VAL 391 HG23 0.02 0.01 -0.15 -0.04 0.95 0.79 3gnhA1 ALA 392 H 0.01 0.48 -0.02 -0.55 8.40 8.32 3gnhA1 ALA 392 HA 0.00 0.06 0.57 -0.75 4.34 4.22 3gnhA1 ALA 392 HB3 -0.00 0.02 -0.14 -0.04 1.41 1.25 3gnhA1 VAL 393 H -0.00 0.07 0.04 -0.55 8.24 7.80 3gnhA1 VAL 393 HA -0.01 0.09 0.22 -0.75 4.13 3.68 3gnhA1 VAL 393 HB -0.01 -0.03 0.06 -0.04 2.12 2.10 3gnhA1 VAL 393 HG13 -0.01 0.03 -0.11 -0.04 0.97 0.84 3gnhA1 VAL 393 HG23 -0.00 -0.03 -0.15 -0.04 0.95 0.73 3gnhA1 GLY 394 H -0.02 0.63 0.28 -0.55 8.43 8.78 3gnhA1 GLY 394 HA2 -0.05 -0.04 0.42 -0.51 4.01 3.82 3gnhA1 GLY 394 HA3 -0.04 0.12 0.80 -0.51 4.01 4.37 3gnhA1 ARG 395 H -0.03 0.33 -0.27 -0.55 8.46 7.94 3gnhA1 ARG 395 HA -0.12 0.23 0.69 -0.75 4.34 4.39 3gnhA1 ARG 395 HB2 -0.00 0.01 0.12 -0.04 1.90 1.98 3gnhA1 ARG 395 HB3 0.02 0.06 0.06 -0.04 1.80 1.89 3gnhA1 ARG 395 HG2 0.00 -0.11 -0.20 -0.04 1.67 1.32 3gnhA1 ARG 395 HG3 -0.02 -0.06 -0.61 -0.04 1.67 0.94 3gnhA1 ARG 395 HD2 -0.04 0.06 -0.24 -0.04 3.22 2.96 3gnhA1 ARG 395 HD3 -0.01 -0.07 -0.23 -0.04 3.22 2.87 3gnhA1 TYR 396 H 0.01 0.72 0.45 -0.55 8.29 8.92 3gnhA1 TYR 396 HA 0.00 0.16 0.66 -0.75 4.56 4.62 3gnhA1 TYR 396 HB2 -0.00 0.06 0.28 -0.04 3.06 3.36 3gnhA1 TYR 396 HB3 -0.00 -0.14 0.09 -0.04 2.98 2.89 3gnhA1 TYR 396 HD2 0.00 0.08 0.05 -0.04 7.15 7.24 3gnhA1 TYR 396 HE2 0.00 -0.00 0.02 -0.04 6.85 6.83 3gnhA1 GLY 397 H 0.17 0.88 0.25 -0.55 8.43 9.18 3gnhA1 GLY 397 HA2 0.07 0.13 0.43 -0.51 4.01 4.12 3gnhA1 GLY 397 HA3 0.07 -0.07 0.19 -0.51 4.01 3.69 3gnhA1 ASP 398 H 0.07 0.66 -0.05 -0.55 8.40 8.53 3gnhA1 ASP 398 HA -0.01 0.31 0.97 -0.75 4.63 5.14 3gnhA1 ASP 398 HB2 0.03 -0.02 0.22 -0.04 2.71 2.91 3gnhA1 ASP 398 HB3 -0.02 0.00 0.15 -0.04 2.70 2.79 3gnhA1 MET 399 H -0.05 0.60 0.34 -0.55 8.47 8.82 3gnhA1 MET 399 HA 0.00 0.11 0.75 -0.75 4.52 4.63 3gnhA1 MET 399 HB2 0.18 -0.07 -0.16 -0.04 2.15 2.06 3gnhA1 MET 399 HB3 0.12 0.09 0.09 -0.04 2.03 2.29 3gnhA1 MET 399 HG2 0.05 0.07 -0.14 -0.04 2.63 2.57 3gnhA1 MET 399 HG3 0.07 -0.13 -0.72 -0.04 2.56 1.73 3gnhA1 MET 399 HE3 0.13 -0.01 -0.23 -0.04 2.10 1.96 3gnhA1 ILE 400 H 0.03 0.59 0.28 -0.55 8.25 8.60 3gnhA1 ILE 400 HA -0.07 0.27 0.80 -0.75 4.18 4.43 3gnhA1 ILE 400 HB -0.04 0.06 0.20 -0.04 1.89 2.08 3gnhA1 ILE 400 HG12 -0.07 0.13 -0.15 -0.04 1.49 1.36 3gnhA1 ILE 400 HG13 -0.02 -0.11 -0.32 -0.04 1.21 0.73 3gnhA1 ILE 400 HG23 -0.12 -0.02 -0.01 -0.04 0.93 0.73 3gnhA1 ILE 400 HD13 -0.12 -0.01 -0.05 -0.04 0.88 0.66 3gnhA1 ALA 401 H 0.15 0.48 0.33 -0.55 8.40 8.81 3gnhA1 ALA 401 HA 0.07 0.37 0.86 -0.75 4.34 4.89 3gnhA1 ALA 401 HB3 0.12 -0.03 -0.14 -0.04 1.41 1.33 3gnhA1 VAL 402 H 0.01 0.62 0.31 -0.55 8.24 8.63 3gnhA1 VAL 402 HA 0.01 0.13 1.01 -0.75 4.13 4.53 3gnhA1 VAL 402 HB -0.01 0.13 -0.06 -0.04 2.12 2.14 3gnhA1 VAL 402 HG13 -0.03 -0.02 -0.28 -0.04 0.97 0.60 3gnhA1 VAL 402 HG23 -0.02 0.01 -0.19 -0.04 0.95 0.71 3gnhA1 ALA 403 H 0.00 0.24 0.18 -0.55 8.40 8.28 3gnhA1 ALA 403 HA -0.02 0.11 0.73 -0.75 4.34 4.40 3gnhA1 ALA 403 HB3 -0.00 0.01 0.10 -0.04 1.41 1.47 3gnhA1 GLY 404 H -0.03 0.17 0.20 -0.55 8.43 8.22 3gnhA1 GLY 404 HA2 -0.02 0.02 0.34 -0.51 4.01 3.84 3gnhA1 GLY 404 HA3 -0.01 0.10 0.58 -0.51 4.01 4.17 3gnhA1 ASP 405 H 0.00 0.15 0.08 -0.55 8.40 8.09 3gnhA1 ASP 405 HA 0.03 0.26 0.82 -0.75 4.63 4.98 3gnhA1 ASP 405 HB2 0.01 0.07 -0.03 -0.04 2.71 2.72 3gnhA1 ASP 405 HB3 0.04 -0.03 0.20 -0.04 2.70 2.87 3gnhA1 PRO 406 HA -0.01 0.22 0.23 -0.51 4.44 4.37 3gnhA1 PRO 406 HB2 -0.04 0.04 -0.13 -0.04 2.28 2.11 3gnhA1 PRO 406 HB3 -0.04 0.07 -0.06 -0.04 2.02 1.95 3gnhA1 PRO 406 HG2 0.19 -0.03 -0.07 -0.04 2.03 2.08 3gnhA1 PRO 406 HG3 0.07 0.13 -0.11 -0.04 2.03 2.08 3gnhA1 PRO 406 HD2 0.10 0.14 0.14 -0.04 3.68 4.01 3gnhA1 PRO 406 HD3 0.02 0.26 -0.23 -0.04 3.65 3.65 3gnhA1 LEU 407 H 0.14 0.12 -0.39 -0.55 8.37 7.70 3gnhA1 LEU 407 HA -0.04 0.06 0.41 -0.75 4.35 4.03 3gnhA1 LEU 407 HB2 0.01 -0.02 -0.04 -0.04 1.64 1.55 3gnhA1 LEU 407 HB3 -0.08 0.04 0.03 -0.04 1.64 1.59 3gnhA1 LEU 407 HG -0.27 -0.06 -0.11 -0.04 1.64 1.16 3gnhA1 LEU 407 HD13 -0.67 0.02 -0.06 -0.04 0.93 0.18 3gnhA1 LEU 407 HD23 -0.15 0.00 -0.08 -0.04 0.89 0.63 3gnhA1 ALA 408 H 0.05 0.31 -0.31 -0.55 8.40 7.90 3gnhA1 ALA 408 HA 0.02 0.19 0.84 -0.75 4.34 4.63 3gnhA1 ALA 408 HB3 0.03 0.01 0.05 -0.04 1.41 1.46 3gnhA1 ASP 409 H 0.02 0.43 -0.02 -0.55 8.40 8.27 3gnhA1 ASP 409 HA 0.01 0.14 0.74 -0.75 4.63 4.77 3gnhA1 ASP 409 HB2 0.01 0.09 -0.13 -0.04 2.71 2.64 3gnhA1 ASP 409 HB3 0.01 -0.02 0.09 -0.04 2.70 2.74 3gnhA1 VAL 410 H 0.01 0.23 0.02 -0.55 8.24 7.94 3gnhA1 VAL 410 HA -0.08 0.19 0.41 -0.75 4.13 3.90 3gnhA1 VAL 410 HB 0.00 0.04 0.06 -0.04 2.12 2.19 3gnhA1 VAL 410 HG13 0.10 0.01 -0.35 -0.04 0.97 0.70 3gnhA1 VAL 410 HG23 -0.21 0.02 0.01 -0.04 0.95 0.73 3gnhA1 THR 411 H 0.02 0.10 -0.35 -0.55 8.28 7.50 3gnhA1 THR 411 HA 0.05 0.09 0.33 -0.75 4.39 4.11 3gnhA1 THR 411 HB 0.04 0.04 0.07 -0.04 4.32 4.42 3gnhA1 THR 411 HG23 0.05 -0.01 0.00 -0.04 1.22 1.22 3gnhA1 THR 412 H -0.01 0.36 -0.54 -0.55 8.28 7.54 3gnhA1 THR 412 HA 0.00 0.06 0.36 -0.75 4.39 4.05 3gnhA1 THR 412 HB -0.01 0.13 0.03 -0.04 4.32 4.43 3gnhA1 THR 412 HG23 -0.00 -0.05 -0.03 -0.04 1.22 1.10 3gnhA1 LEU 413 H -0.06 0.45 -0.38 -0.55 8.37 7.83 3gnhA1 LEU 413 HA -0.06 0.10 0.39 -0.75 4.35 4.03 3gnhA1 LEU 413 HB2 -0.25 0.15 0.09 -0.04 1.64 1.59 3gnhA1 LEU 413 HB3 -0.13 -0.01 0.04 -0.04 1.64 1.50 3gnhA1 LEU 413 HG -0.23 0.03 -0.03 -0.04 1.64 1.37 3gnhA1 LEU 413 HD13 -0.21 -0.02 -0.06 -0.04 0.93 0.61 3gnhA1 LEU 413 HD23 -0.88 -0.01 -0.02 -0.04 0.89 -0.06 3gnhA1 GLU 414 H 0.04 0.46 -0.48 -0.55 8.60 8.07 3gnhA1 GLU 414 HA 0.12 -0.01 0.46 -0.75 4.29 4.11 3gnhA1 GLU 414 HB2 0.05 0.19 0.08 -0.04 2.09 2.36 3gnhA1 GLU 414 HB3 0.05 -0.05 0.02 -0.04 1.99 1.98 3gnhA1 GLU 414 HG2 0.08 -0.11 -0.27 -0.04 2.34 2.00 3gnhA1 GLU 414 HG3 0.10 -0.04 -0.06 -0.04 2.34 2.31 3gnhA1 LYS 415 H 0.03 0.24 -0.43 -0.55 8.42 7.70 3gnhA1 LYS 415 HA 0.04 0.25 0.85 -0.75 4.32 4.71 3gnhA1 LYS 415 HB2 0.03 -0.06 0.10 -0.04 1.87 1.89 3gnhA1 LYS 415 HB3 0.03 0.01 0.10 -0.04 1.79 1.88 3gnhA1 LYS 415 HG2 0.04 0.09 -0.07 -0.04 1.46 1.48 3gnhA1 LYS 415 HG3 0.04 -0.10 -0.43 -0.04 1.46 0.93 3gnhA1 LYS 415 HD2 0.02 -0.05 -0.05 -0.04 1.69 1.57 3gnhA1 LYS 415 HD3 0.03 0.00 -0.02 -0.04 1.68 1.64 3gnhA1 LYS 415 HE2 0.03 -0.04 -0.04 -0.04 2.99 2.89 3gnhA1 LYS 415 HE3 0.03 0.03 -0.04 -0.04 2.99 2.97 3gnhA1 PRO 416 HA 0.02 0.02 0.62 -0.51 4.44 4.59 3gnhA1 PRO 416 HB2 0.01 0.02 0.03 -0.04 2.28 2.30 3gnhA1 PRO 416 HB3 -0.01 -0.02 0.09 -0.04 2.02 2.03 3gnhA1 PRO 416 HG2 0.02 0.03 -0.04 -0.04 2.03 2.00 3gnhA1 PRO 416 HG3 0.02 0.15 -0.18 -0.04 2.03 1.98 3gnhA1 PRO 416 HD2 0.05 0.13 -0.07 -0.04 3.68 3.76 3gnhA1 PRO 416 HD3 0.04 0.32 -0.15 -0.04 3.65 3.82 3gnhA1 VAL 417 H 0.06 0.43 0.37 -0.55 8.24 8.55 3gnhA1 VAL 417 HA 0.05 0.20 0.74 -0.75 4.13 4.37 3gnhA1 VAL 417 HB 0.05 -0.04 0.08 -0.04 2.12 2.17 3gnhA1 VAL 417 HG13 0.02 -0.00 -0.00 -0.04 0.97 0.95 3gnhA1 VAL 417 HG23 0.06 0.01 -0.25 -0.04 0.95 0.73 3gnhA1 PHE 418 H 0.13 0.25 0.08 -0.55 8.34 8.24 3gnhA1 PHE 418 HA -0.00 0.30 0.53 -0.75 4.62 4.69 3gnhA1 PHE 418 HB2 -0.01 0.02 -0.20 -0.04 3.15 2.92 3gnhA1 PHE 418 HB3 -0.01 -0.14 -0.04 -0.04 3.06 2.82 3gnhA1 PHE 418 HD2 -0.01 -0.03 -0.19 -0.04 7.28 7.01 3gnhA1 PHE 418 HE2 -0.01 -0.03 -0.23 -0.04 7.38 7.08 3gnhA1 PHE 418 HZ -0.00 -0.01 -0.22 -0.04 7.32 7.04 3gnhA1 VAL 419 H -0.56 0.64 0.29 -0.55 8.24 8.06 3gnhA1 VAL 419 HA -0.40 0.25 0.96 -0.75 4.13 4.19 3gnhA1 VAL 419 HB -0.17 -0.12 0.04 -0.04 2.12 1.83 3gnhA1 VAL 419 HG13 -0.13 0.06 -0.13 -0.04 0.97 0.72 3gnhA1 VAL 419 HG23 -0.08 0.02 -0.27 -0.04 0.95 0.58 3gnhA1 MET 420 H -0.37 0.81 0.37 -0.55 8.47 8.72 3gnhA1 MET 420 HA -0.24 0.27 1.00 -0.75 4.52 4.79 3gnhA1 MET 420 HB2 -0.28 -0.01 -0.20 -0.04 2.15 1.61 3gnhA1 MET 420 HB3 -0.11 -0.09 -0.01 -0.04 2.03 1.78 3gnhA1 MET 420 HG2 -0.00 0.10 -0.32 -0.04 2.63 2.37 3gnhA1 MET 420 HG3 -0.01 0.11 -0.50 -0.04 2.56 2.11 3gnhA1 MET 420 HE3 0.21 0.01 -0.23 -0.04 2.10 2.05 3gnhA1 LYS 421 H -0.08 0.66 0.21 -0.55 8.42 8.66 3gnhA1 LYS 421 HA -0.06 0.07 0.98 -0.75 4.32 4.56 3gnhA1 LYS 421 HB2 -0.07 -0.01 -0.11 -0.04 1.87 1.64 3gnhA1 LYS 421 HB3 -0.06 0.03 0.09 -0.04 1.79 1.80 3gnhA1 LYS 421 HG2 -0.10 -0.04 -0.02 -0.04 1.46 1.26 3gnhA1 LYS 421 HG3 -0.07 -0.01 0.08 -0.04 1.46 1.42 3gnhA1 LYS 421 HD2 -0.06 0.05 0.00 -0.04 1.69 1.64 3gnhA1 LYS 421 HD3 -0.07 -0.03 -0.09 -0.04 1.68 1.44 3gnhA1 LYS 421 HE2 -0.15 -0.07 -0.04 -0.04 2.99 2.69 3gnhA1 LYS 421 HE3 -0.08 -0.05 0.03 -0.04 2.99 2.84 3gnhA1 GLY 422 H -0.03 0.16 -0.08 -0.55 8.43 7.93 3gnhA1 GLY 422 HA2 0.03 0.10 0.40 -0.51 4.01 4.02 3gnhA1 GLY 422 HA3 -0.05 0.12 0.44 -0.51 4.01 4.01 3gnhA1 GLY 423 H 0.02 0.41 -0.26 -0.55 8.43 8.05 3gnhA1 GLY 423 HA2 0.04 -0.03 0.19 -0.51 4.01 3.71 3gnhA1 GLY 423 HA3 0.03 0.05 0.41 -0.51 4.01 3.99 3gnhA1 ALA 424 H -0.01 0.52 -0.63 -0.55 8.40 7.73 3gnhA1 ALA 424 HA 0.00 0.08 0.62 -0.75 4.34 4.29 3gnhA1 ALA 424 HB3 -0.02 0.05 0.02 -0.04 1.41 1.41 3gnhA1 VAL 425 H 0.01 0.15 0.12 -0.55 8.24 7.98 3gnhA1 VAL 425 HA -0.06 0.09 0.65 -0.75 4.13 4.06 3gnhA1 VAL 425 HB 0.04 -0.01 0.11 -0.04 2.12 2.22 3gnhA1 VAL 425 HG13 0.10 0.01 -0.27 -0.04 0.97 0.76 3gnhA1 VAL 425 HG23 0.15 0.01 -0.05 -0.04 0.95 1.02 3gnhA1 VAL 426 H -0.17 0.62 0.40 -0.55 8.24 8.54 3gnhA1 VAL 426 HA -0.05 0.10 0.61 -0.75 4.13 4.03 3gnhA1 VAL 426 HB -0.13 0.01 -0.05 -0.04 2.12 1.91 3gnhA1 VAL 426 HG13 -0.04 -0.01 -0.24 -0.04 0.97 0.64 3gnhA1 VAL 426 HG23 -0.08 0.01 -0.15 -0.04 0.95 0.69 3gnhA1 LYS 427 H -0.16 0.40 0.27 -0.55 8.42 8.37 3gnhA1 LYS 427 HA 0.00 0.13 0.64 -0.75 4.32 4.34 3gnhA1 LYS 427 HB2 -0.03 0.09 -0.21 -0.04 1.87 1.68 3gnhA1 LYS 427 HB3 -0.07 -0.11 -0.09 -0.04 1.79 1.48 3gnhA1 LYS 427 HG2 0.03 0.07 -0.36 -0.04 1.46 1.16 3gnhA1 LYS 427 HG3 0.02 -0.02 -0.00 -0.04 1.46 1.41 3gnhA1 LYS 427 HD2 0.01 0.03 -0.07 -0.04 1.69 1.61 3gnhA1 LYS 427 HD3 0.00 -0.02 -0.29 -0.04 1.68 1.33 3gnhA1 LYS 427 HE2 0.03 0.08 -0.03 -0.04 2.99 3.03 3gnhA1 LYS 427 HE3 0.03 -0.01 -0.06 -0.04 2.99 2.91 3gnhA1 ALA 428 H 0.06 0.32 0.03 -0.55 8.40 8.26 3gnhA1 ALA 428 HA 0.26 0.23 0.52 -0.75 4.34 4.60 3gnhA1 ALA 428 HB3 0.19 0.02 -0.08 -0.04 1.41 1.51