============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 5 1.000 53.756 0.904 55.193 -99.200 -91.000 PHE 47 1.000 49.970 11.137 50.591 -99.200 -91.000 PHE 53 1.000 55.230 16.837 55.335 -99.200 -91.000 TYR 55 0.840 61.236 25.213 61.288 -99.200 -91.000 TRP 58 1.040 64.331 19.460 55.438 -99.200 -91.000 TRP6 58 1.020 64.390 17.455 54.181 -99.200 -91.000 HIS 69 0.900 52.428 0.963 34.430 -99.200 -91.000 HIS 78 0.900 43.520 13.887 51.098 -99.200 -91.000 TRP 87 1.040 60.716 25.377 56.782 -99.200 -91.000 TRP6 87 1.020 58.973 23.873 57.317 -99.200 -91.000 TRP 88 1.040 55.516 30.059 53.734 -99.200 -91.000 TRP6 88 1.020 53.208 29.992 54.194 -99.200 -91.000 PHE 101 1.000 53.721 18.452 49.386 -99.200 -91.000 PHE 102 1.000 54.318 13.942 45.757 -99.200 -91.000 TYR 103 0.840 62.485 16.998 45.051 -99.200 -91.000 HIS 105 0.900 62.144 15.166 41.081 -99.200 -91.000 PHE 125 1.000 51.852 18.031 44.086 -99.200 -91.000 PHE 134 1.000 51.114 16.022 39.403 -99.200 -91.000 HIS 150 0.900 57.302 36.525 48.978 -99.200 -91.000 PHE 155 1.000 50.167 21.290 39.972 -99.200 -91.000 TRP 169 1.040 40.771 26.296 44.360 -99.200 -91.000 TRP6 169 1.020 41.984 27.260 46.147 -99.200 -91.000 HIS 171 0.900 45.134 32.314 47.926 -99.200 -91.000 TRP 186 1.040 45.040 19.389 28.569 -99.200 -91.000 TRP6 186 1.020 43.617 17.612 29.188 -99.200 -91.000 PHE 187 1.000 47.207 24.595 35.016 -99.200 -91.000 HIS 196 0.900 55.386 35.420 41.145 -99.200 -91.000 HIS 218 0.900 38.308 25.278 28.366 -99.200 -91.000 TYR 245 0.840 49.749 30.458 28.043 -99.200 -91.000 TYR 256 0.840 54.663 42.692 32.424 -99.200 -91.000 TYR 264 0.840 62.321 37.745 33.302 -99.200 -91.000 TYR 299 0.840 57.251 44.142 27.951 -99.200 -91.000 TRP 310 1.040 54.093 33.840 18.232 -99.200 -91.000 TRP6 310 1.020 54.287 35.593 19.805 -99.200 -91.000 TRP 312 1.040 47.128 38.265 20.064 -99.200 -91.000 TRP6 312 1.020 48.938 37.630 21.437 -99.200 -91.000 PHE 329 1.000 54.081 42.893 18.486 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1czfB1 ASP 28 HA -0.01 -0.09 0.24 -0.75 4.63 4.02 1czfB1 ASP 28 HB2 -0.00 0.07 -0.06 -0.04 2.71 2.67 1czfB1 ASP 28 HB3 -0.02 0.01 -0.00 -0.04 2.70 2.64 1czfB1 SER 29 H -0.03 0.09 0.15 -0.55 8.46 8.12 1czfB1 SER 29 HA -0.04 0.12 0.82 -0.75 4.49 4.63 1czfB1 SER 29 HB2 -0.04 -0.04 0.19 -0.04 3.95 4.01 1czfB1 SER 29 HB3 -0.05 -0.01 0.01 -0.04 3.93 3.84 1czfB1 CYS 30 H -0.11 0.80 0.38 -0.55 8.50 9.03 1czfB1 CYS 30 HA -0.26 0.16 1.01 -0.75 4.58 4.73 1czfB1 CYS 30 HB2 -0.28 -0.00 0.08 -0.04 2.97 2.73 1czfB1 CYS 30 HB3 -0.91 -0.07 -0.06 -0.04 2.97 1.89 1czfB1 THR 31 H -0.45 0.27 0.15 -0.55 8.28 7.69 1czfB1 THR 31 HA -0.25 0.25 1.08 -0.75 4.39 4.71 1czfB1 THR 31 HB -0.15 -0.02 0.10 -0.04 4.32 4.20 1czfB1 THR 31 HG23 -0.06 -0.01 -0.13 -0.04 1.22 0.97 1czfB1 PHE 32 H -0.05 0.81 0.38 -0.55 8.34 8.92 1czfB1 PHE 32 HA -0.02 0.13 1.02 -0.75 4.62 4.99 1czfB1 PHE 32 HB2 -0.05 0.04 0.11 -0.04 3.15 3.21 1czfB1 PHE 32 HB3 -0.03 -0.05 0.09 -0.04 3.06 3.03 1czfB1 PHE 32 HD2 -0.04 -0.03 -0.13 -0.04 7.28 7.04 1czfB1 PHE 32 HE2 -0.02 0.05 -0.13 -0.04 7.38 7.24 1czfB1 PHE 32 HZ -0.02 0.10 -0.29 -0.04 7.32 7.07 1czfB1 THR 33 H 0.12 0.11 0.19 -0.55 8.28 8.16 1czfB1 THR 33 HA 0.05 0.43 0.92 -0.75 4.39 5.03 1czfB1 THR 33 HB 0.02 0.06 0.15 -0.04 4.32 4.52 1czfB1 THR 33 HG23 0.01 0.01 -0.09 -0.04 1.22 1.11 1czfB1 THR 34 H 0.10 0.06 0.12 -0.55 8.28 8.01 1czfB1 THR 34 HA 0.01 0.31 0.86 -0.75 4.39 4.81 1czfB1 THR 34 HB -0.00 0.02 0.19 -0.04 4.32 4.48 1czfB1 THR 34 HG23 0.02 0.05 -0.10 -0.04 1.22 1.14 1czfB1 ALA 35 H -0.02 0.30 0.15 -0.55 8.40 8.29 1czfB1 ALA 35 HA -0.05 0.12 0.44 -0.75 4.34 4.09 1czfB1 ALA 35 HB3 -0.02 0.05 0.11 -0.04 1.41 1.51 1czfB1 ALA 36 H -0.04 0.10 -0.02 -0.55 8.40 7.89 1czfB1 ALA 36 HA -0.07 0.15 0.43 -0.75 4.34 4.09 1czfB1 ALA 36 HB3 -0.04 0.03 0.08 -0.04 1.41 1.44 1czfB1 ALA 37 H -0.06 0.02 -0.29 -0.55 8.40 7.53 1czfB1 ALA 37 HA -0.07 0.11 0.42 -0.75 4.34 4.05 1czfB1 ALA 37 HB3 0.13 0.01 0.11 -0.04 1.41 1.63 1czfB1 ALA 38 H -0.34 0.30 -0.24 -0.55 8.40 7.58 1czfB1 ALA 38 HA -2.34 0.03 0.33 -0.75 4.34 1.61 1czfB1 ALA 38 HB3 -0.30 0.03 0.05 -0.04 1.41 1.15 1czfB1 LYS 39 H -0.23 0.44 -0.06 -0.55 8.42 8.01 1czfB1 LYS 39 HA -0.14 0.23 0.49 -0.75 4.32 4.14 1czfB1 LYS 39 HB2 -0.09 -0.05 0.21 -0.04 1.87 1.89 1czfB1 LYS 39 HB3 -0.10 0.00 0.21 -0.04 1.79 1.86 1czfB1 LYS 39 HG2 -0.06 0.00 -0.18 -0.04 1.46 1.18 1czfB1 LYS 39 HG3 -0.06 0.05 0.10 -0.04 1.46 1.51 1czfB1 LYS 39 HD2 -0.04 -0.03 0.06 -0.04 1.69 1.64 1czfB1 LYS 39 HD3 -0.05 -0.04 0.03 -0.04 1.68 1.59 1czfB1 LYS 39 HE2 -0.03 -0.00 -0.02 -0.04 2.99 2.89 1czfB1 LYS 39 HE3 -0.03 0.01 -0.01 -0.04 2.99 2.93 1czfB1 ALA 40 H -0.17 0.42 -0.17 -0.55 8.40 7.94 1czfB1 ALA 40 HA -0.06 0.04 0.42 -0.75 4.34 3.99 1czfB1 ALA 40 HB3 -0.05 -0.02 0.11 -0.04 1.41 1.41 1czfB1 GLY 41 H -0.26 0.49 -0.10 -0.55 8.43 8.02 1czfB1 GLY 41 HA2 0.04 0.14 0.80 -0.51 4.01 4.48 1czfB1 GLY 41 HA3 0.16 -0.03 0.30 -0.51 4.01 3.93 1czfB1 LYS 42 H -0.15 0.47 -0.11 -0.55 8.42 8.08 1czfB1 LYS 42 HA 0.13 -0.03 0.27 -0.75 4.32 3.93 1czfB1 LYS 42 HB2 -0.01 -0.05 -0.00 -0.04 1.87 1.77 1czfB1 LYS 42 HB3 -0.12 0.14 0.14 -0.04 1.79 1.91 1czfB1 LYS 42 HG2 -0.07 0.12 0.08 -0.04 1.46 1.55 1czfB1 LYS 42 HG3 -0.02 -0.03 -0.05 -0.04 1.46 1.32 1czfB1 LYS 42 HD2 -0.04 -0.04 -0.10 -0.04 1.69 1.47 1czfB1 LYS 42 HD3 -0.09 0.02 0.10 -0.04 1.68 1.67 1czfB1 LYS 42 HE2 -0.05 0.14 0.15 -0.04 2.99 3.18 1czfB1 LYS 42 HE3 -0.03 -0.02 0.00 -0.04 2.99 2.91 1czfB1 ALA 43 H 0.01 0.15 -0.18 -0.55 8.40 7.83 1czfB1 ALA 43 HA 0.02 0.04 0.39 -0.75 4.34 4.04 1czfB1 ALA 43 HB3 0.01 0.00 0.07 -0.04 1.41 1.46 1czfB1 LYS 44 H 0.05 0.20 -0.17 -0.55 8.42 7.94 1czfB1 LYS 44 HA 0.03 0.04 0.47 -0.75 4.32 4.10 1czfB1 LYS 44 HB2 0.03 -0.04 0.13 -0.04 1.87 1.94 1czfB1 LYS 44 HB3 0.03 -0.09 0.09 -0.04 1.79 1.78 1czfB1 LYS 44 HG2 0.08 0.23 0.08 -0.04 1.46 1.81 1czfB1 LYS 44 HG3 0.07 0.07 -0.35 -0.04 1.46 1.22 1czfB1 LYS 44 HD2 0.04 -0.06 -0.03 -0.04 1.69 1.60 1czfB1 LYS 44 HD3 0.05 -0.07 0.03 -0.04 1.68 1.65 1czfB1 LYS 44 HE2 0.17 -0.01 0.10 -0.04 2.99 3.21 1czfB1 LYS 44 HE3 0.12 0.00 -0.09 -0.04 2.99 2.99 1czfB1 CYS 45 H 0.07 0.46 -0.48 -0.55 8.50 8.00 1czfB1 CYS 45 HA 0.03 0.29 1.00 -0.75 4.58 5.15 1czfB1 CYS 45 HB2 0.11 0.04 0.06 -0.04 2.97 3.14 1czfB1 CYS 45 HB3 0.04 0.07 -0.08 -0.04 2.97 2.97 1czfB1 SER 46 H 0.01 0.63 0.35 -0.55 8.46 8.90 1czfB1 SER 46 HA 0.02 0.11 0.65 -0.75 4.49 4.51 1czfB1 SER 46 HB2 0.01 -0.07 0.07 -0.04 3.95 3.91 1czfB1 SER 46 HB3 0.01 0.01 0.06 -0.04 3.93 3.97 1czfB1 THR 47 H -0.00 0.50 0.18 -0.55 8.28 8.41 1czfB1 THR 47 HA 0.00 0.23 0.87 -0.75 4.39 4.74 1czfB1 THR 47 HB -0.02 -0.13 0.17 -0.04 4.32 4.30 1czfB1 THR 47 HG23 -0.02 -0.02 -0.13 -0.04 1.22 1.01 1czfB1 ILE 48 H 0.00 0.85 0.35 -0.55 8.25 8.90 1czfB1 ILE 48 HA -0.01 0.17 1.00 -0.75 4.18 4.59 1czfB1 ILE 48 HB 0.03 -0.02 0.19 -0.04 1.89 2.05 1czfB1 ILE 48 HG12 0.23 -0.00 -0.07 -0.04 1.49 1.60 1czfB1 ILE 48 HG13 0.07 0.05 -0.32 -0.04 1.21 0.96 1czfB1 ILE 48 HG23 0.21 -0.04 -0.21 -0.04 0.93 0.85 1czfB1 ILE 48 HD13 0.07 0.03 -0.03 -0.04 0.88 0.91 1czfB1 THR 49 H -0.11 0.80 0.35 -0.55 8.28 8.78 1czfB1 THR 49 HA -0.06 0.22 1.03 -0.75 4.39 4.83 1czfB1 THR 49 HB -0.09 -0.00 0.24 -0.04 4.32 4.43 1czfB1 THR 49 HG23 -0.03 -0.02 -0.15 -0.04 1.22 0.99 1czfB1 LEU 50 H -0.11 0.81 0.33 -0.55 8.37 8.85 1czfB1 LEU 50 HA 0.03 0.15 0.86 -0.75 4.35 4.63 1czfB1 LEU 50 HB2 -0.33 -0.06 0.28 -0.04 1.64 1.49 1czfB1 LEU 50 HB3 -0.10 -0.03 0.03 -0.04 1.64 1.51 1czfB1 LEU 50 HG -0.24 0.06 -0.19 -0.04 1.64 1.24 1czfB1 LEU 50 HD13 -0.78 -0.00 -0.09 -0.04 0.93 0.01 1czfB1 LEU 50 HD23 0.02 0.01 -0.14 -0.04 0.89 0.74 1czfB1 ASN 51 H 0.03 0.65 0.17 -0.55 8.53 8.84 1czfB1 ASN 51 HA 0.04 0.09 0.82 -0.75 4.76 4.97 1czfB1 ASN 51 HB2 0.00 -0.04 -0.09 -0.04 2.88 2.71 1czfB1 ASN 51 HB3 0.01 0.03 0.04 -0.04 2.79 2.84 1czfB1 ASN 51 HD21 0.02 -0.01 -0.09 -0.04 7.03 6.90 1czfB1 ASN 51 HD22 0.02 -0.03 -0.10 -0.04 7.74 7.58 1czfB1 ASN 52 H 0.07 0.56 0.13 -0.55 8.53 8.74 1czfB1 ASN 52 HA 0.05 0.25 0.31 -0.75 4.76 4.61 1czfB1 ASN 52 HB2 0.02 0.05 -0.09 -0.04 2.88 2.82 1czfB1 ASN 52 HB3 0.02 0.02 0.25 -0.04 2.79 3.04 1czfB1 ASN 52 HD21 0.03 -0.03 -0.02 -0.04 7.03 6.98 1czfB1 ASN 52 HD22 0.03 0.02 -0.19 -0.04 7.74 7.55 1czfB1 ILE 53 H 0.04 0.03 -0.31 -0.55 8.25 7.47 1czfB1 ILE 53 HA 0.00 0.26 0.51 -0.75 4.18 4.19 1czfB1 ILE 53 HB 0.02 -0.02 -0.06 -0.04 1.89 1.79 1czfB1 ILE 53 HG12 0.03 -0.06 -0.73 -0.04 1.49 0.69 1czfB1 ILE 53 HG13 0.04 0.03 -0.43 -0.04 1.21 0.81 1czfB1 ILE 53 HG23 -0.03 -0.04 -0.36 -0.04 0.93 0.46 1czfB1 ILE 53 HD13 0.03 -0.01 -0.29 -0.04 0.88 0.56 1czfB1 GLU 54 H -0.03 0.23 0.20 -0.55 8.60 8.46 1czfB1 GLU 54 HA -0.12 0.14 0.79 -0.75 4.29 4.35 1czfB1 GLU 54 HB2 -0.03 0.05 0.03 -0.04 2.09 2.11 1czfB1 GLU 54 HB3 -0.02 -0.04 0.20 -0.04 1.99 2.09 1czfB1 GLU 54 HG2 -0.01 0.03 -0.39 -0.04 2.34 1.93 1czfB1 GLU 54 HG3 -0.01 -0.01 -0.19 -0.04 2.34 2.08 1czfB1 VAL 55 H -0.26 0.83 0.25 -0.55 8.24 8.51 1czfB1 VAL 55 HA -0.01 -0.04 0.61 -0.75 4.13 3.94 1czfB1 VAL 55 HB 0.21 -0.01 0.21 -0.04 2.12 2.49 1czfB1 VAL 55 HG13 0.16 0.04 -0.13 -0.04 0.97 1.00 1czfB1 VAL 55 HG23 -0.13 0.04 0.03 -0.04 0.95 0.85 1czfB1 PRO 56 HA 0.00 -0.03 0.42 -0.51 4.44 4.32 1czfB1 PRO 56 HB2 -0.05 0.06 -0.00 -0.04 2.28 2.24 1czfB1 PRO 56 HB3 -0.04 0.03 0.09 -0.04 2.02 2.06 1czfB1 PRO 56 HG2 -0.03 -0.03 0.11 -0.04 2.03 2.05 1czfB1 PRO 56 HG3 -0.02 0.05 0.14 -0.04 2.03 2.17 1czfB1 PRO 56 HD2 -0.00 0.09 0.18 -0.04 3.68 3.90 1czfB1 PRO 56 HD3 -0.01 0.16 0.40 -0.04 3.65 4.15 1czfB1 ALA 57 H -0.01 0.04 0.13 -0.55 8.40 8.01 1czfB1 ALA 57 HA 0.04 0.20 0.21 -0.75 4.34 4.04 1czfB1 ALA 57 HB3 -0.05 0.01 -0.02 -0.04 1.41 1.31 1czfB1 GLY 58 H -0.23 0.21 0.05 -0.55 8.43 7.91 1czfB1 GLY 58 HA2 -2.65 -0.02 0.21 -0.51 4.01 1.03 1czfB1 GLY 58 HA3 -0.90 0.01 0.22 -0.51 4.01 2.83 1czfB1 THR 59 H -0.30 0.44 -0.32 -0.55 8.28 7.55 1czfB1 THR 59 HA -0.43 0.17 0.98 -0.75 4.39 4.36 1czfB1 THR 59 HB -0.09 -0.06 0.01 -0.04 4.32 4.15 1czfB1 THR 59 HG23 -0.19 0.06 -0.26 -0.04 1.22 0.79 1czfB1 THR 60 H 0.06 0.08 0.08 -0.55 8.28 7.96 1czfB1 THR 60 HA 0.26 0.34 0.67 -0.75 4.39 4.91 1czfB1 THR 60 HB 0.07 -0.12 -0.02 -0.04 4.32 4.21 1czfB1 THR 60 HG23 -0.06 -0.02 -0.56 -0.04 1.22 0.54 1czfB1 LEU 61 H 0.13 0.90 0.26 -0.55 8.37 9.12 1czfB1 LEU 61 HA 0.03 -0.03 0.61 -0.75 4.35 4.20 1czfB1 LEU 61 HB2 0.15 0.02 0.17 -0.04 1.64 1.94 1czfB1 LEU 61 HB3 0.12 0.01 0.36 -0.04 1.64 2.10 1czfB1 LEU 61 HG 0.02 -0.01 -0.13 -0.04 1.64 1.48 1czfB1 LEU 61 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.85 1czfB1 LEU 61 HD23 0.17 -0.01 -0.04 -0.04 0.89 0.98 1czfB1 ASP 62 H -0.03 0.25 0.08 -0.55 8.40 8.15 1czfB1 ASP 62 HA -0.05 0.05 0.73 -0.75 4.63 4.60 1czfB1 ASP 62 HB2 -0.02 0.07 0.03 -0.04 2.71 2.75 1czfB1 ASP 62 HB3 -0.05 -0.01 0.22 -0.04 2.70 2.82 1czfB1 LEU 63 H -0.08 0.66 0.31 -0.55 8.37 8.71 1czfB1 LEU 63 HA -0.05 0.20 0.74 -0.75 4.35 4.49 1czfB1 LEU 63 HB2 -0.05 0.06 0.12 -0.04 1.64 1.73 1czfB1 LEU 63 HB3 -0.01 -0.02 0.14 -0.04 1.64 1.71 1czfB1 LEU 63 HG -0.05 -0.05 -0.38 -0.04 1.64 1.13 1czfB1 LEU 63 HD13 -0.03 -0.02 -0.10 -0.04 0.93 0.74 1czfB1 LEU 63 HD23 -0.08 0.03 -0.19 -0.04 0.89 0.61 1czfB1 THR 64 H -0.03 0.03 -0.28 -0.55 8.28 7.45 1czfB1 THR 64 HA 0.00 -0.10 0.58 -0.75 4.39 4.12 1czfB1 THR 64 HB 0.02 -0.02 0.00 -0.04 4.32 4.27 1czfB1 THR 64 HG23 -0.01 -0.00 -0.19 -0.04 1.22 0.99 1czfB1 GLY 65 H 0.02 0.03 0.03 -0.55 8.43 7.97 1czfB1 GLY 65 HA2 0.02 -0.03 0.24 -0.51 4.01 3.73 1czfB1 GLY 65 HA3 0.01 0.01 0.28 -0.51 4.01 3.80 1czfB1 LEU 66 H 0.02 0.51 0.02 -0.55 8.37 8.38 1czfB1 LEU 66 HA 0.02 0.08 0.43 -0.75 4.35 4.12 1czfB1 LEU 66 HB2 0.03 -0.07 0.05 -0.04 1.64 1.61 1czfB1 LEU 66 HB3 0.03 0.08 0.01 -0.04 1.64 1.71 1czfB1 LEU 66 HG 0.02 0.23 0.00 -0.04 1.64 1.85 1czfB1 LEU 66 HD13 0.04 -0.05 -0.08 -0.04 0.93 0.80 1czfB1 LEU 66 HD23 0.01 -0.01 -0.12 -0.04 0.89 0.73 1czfB1 THR 67 H 0.03 0.22 0.16 -0.55 8.28 8.14 1czfB1 THR 67 HA 0.03 -0.05 0.58 -0.75 4.39 4.20 1czfB1 THR 67 HB 0.03 0.12 0.14 -0.04 4.32 4.57 1czfB1 THR 67 HG23 0.03 0.02 0.02 -0.04 1.22 1.25 1czfB1 SER 68 H 0.05 0.01 0.20 -0.55 8.46 8.17 1czfB1 SER 68 HA 0.08 0.35 0.53 -0.75 4.49 4.70 1czfB1 SER 68 HB2 0.11 -0.09 0.18 -0.04 3.95 4.10 1czfB1 SER 68 HB3 0.09 -0.05 0.15 -0.04 3.93 4.07 1czfB1 GLY 69 H 0.13 0.38 0.26 -0.55 8.43 8.65 1czfB1 GLY 69 HA2 0.07 0.08 0.48 -0.51 4.01 4.13 1czfB1 GLY 69 HA3 0.04 -0.02 0.51 -0.51 4.01 4.02 1czfB1 THR 70 H 0.05 0.32 -0.21 -0.55 8.28 7.90 1czfB1 THR 70 HA 0.03 0.19 0.48 -0.75 4.39 4.33 1czfB1 THR 70 HB 0.04 -0.16 0.01 -0.04 4.32 4.17 1czfB1 THR 70 HG23 0.03 -0.04 -0.33 -0.04 1.22 0.85 1czfB1 LYS 71 H 0.02 0.60 0.35 -0.55 8.42 8.83 1czfB1 LYS 71 HA 0.03 0.16 0.99 -0.75 4.32 4.75 1czfB1 LYS 71 HB2 0.01 -0.06 0.32 -0.04 1.87 2.10 1czfB1 LYS 71 HB3 0.01 -0.06 0.10 -0.04 1.79 1.80 1czfB1 LYS 71 HG2 0.02 -0.05 0.07 -0.04 1.46 1.46 1czfB1 LYS 71 HG3 0.02 0.23 0.09 -0.04 1.46 1.75 1czfB1 LYS 71 HD2 0.00 -0.01 0.06 -0.04 1.69 1.71 1czfB1 LYS 71 HD3 0.01 -0.08 0.02 -0.04 1.68 1.58 1czfB1 LYS 71 HE2 0.01 -0.03 0.01 -0.04 2.99 2.94 1czfB1 LYS 71 HE3 0.01 0.10 0.04 -0.04 2.99 3.10 1czfB1 VAL 72 H 0.03 0.73 0.36 -0.55 8.24 8.82 1czfB1 VAL 72 HA -0.02 0.23 1.04 -0.75 4.13 4.62 1czfB1 VAL 72 HB 0.07 -0.08 0.12 -0.04 2.12 2.18 1czfB1 VAL 72 HG13 -0.16 -0.02 -0.14 -0.04 0.97 0.61 1czfB1 VAL 72 HG23 0.03 0.02 -0.21 -0.04 0.95 0.76 1czfB1 ILE 73 H -0.07 0.82 0.37 -0.55 8.25 8.83 1czfB1 ILE 73 HA 0.03 0.27 1.02 -0.75 4.18 4.74 1czfB1 ILE 73 HB -0.02 -0.05 0.09 -0.04 1.89 1.86 1czfB1 ILE 73 HG12 0.01 0.03 -0.22 -0.04 1.49 1.27 1czfB1 ILE 73 HG13 -0.01 -0.01 -0.42 -0.04 1.21 0.74 1czfB1 ILE 73 HG23 0.01 -0.02 -0.30 -0.04 0.93 0.57 1czfB1 ILE 73 HD13 -0.00 -0.01 -0.12 -0.04 0.88 0.70 1czfB1 PHE 74 H 0.19 0.68 0.44 -0.55 8.34 9.10 1czfB1 PHE 74 HA 0.04 0.12 0.91 -0.75 4.62 4.93 1czfB1 PHE 74 HB2 -0.17 -0.01 0.25 -0.04 3.15 3.18 1czfB1 PHE 74 HB3 0.08 0.04 0.02 -0.04 3.06 3.16 1czfB1 PHE 74 HD2 0.10 0.10 0.01 -0.04 7.28 7.45 1czfB1 PHE 74 HE2 0.22 0.00 -0.07 -0.04 7.38 7.49 1czfB1 PHE 74 HZ 0.25 0.00 -0.09 -0.04 7.32 7.44 1czfB1 GLU 75 H 0.11 0.84 0.37 -0.55 8.60 9.38 1czfB1 GLU 75 HA 0.12 0.09 0.97 -0.75 4.29 4.72 1czfB1 GLU 75 HB2 0.04 0.04 -0.12 -0.04 2.09 2.00 1czfB1 GLU 75 HB3 0.05 -0.02 -0.04 -0.04 1.99 1.94 1czfB1 GLU 75 HG2 0.05 -0.01 0.00 -0.04 2.34 2.33 1czfB1 GLU 75 HG3 0.02 0.01 -0.28 -0.04 2.34 2.05 1czfB1 GLY 76 H 0.11 0.15 0.11 -0.55 8.43 8.25 1czfB1 GLY 76 HA2 0.07 0.10 0.34 -0.51 4.01 4.01 1czfB1 GLY 76 HA3 0.07 -0.01 0.48 -0.51 4.01 4.05 1czfB1 THR 77 H 0.06 0.14 0.27 -0.55 8.28 8.19 1czfB1 THR 77 HA 0.09 0.39 1.15 -0.75 4.39 5.26 1czfB1 THR 77 HB 0.03 -0.03 0.14 -0.04 4.32 4.42 1czfB1 THR 77 HG23 0.03 -0.00 -0.15 -0.04 1.22 1.06 1czfB1 THR 78 H 0.12 0.64 0.51 -0.55 8.28 8.99 1czfB1 THR 78 HA -0.00 0.28 0.87 -0.75 4.39 4.78 1czfB1 THR 78 HB 0.18 -0.13 0.27 -0.04 4.32 4.61 1czfB1 THR 78 HG23 -0.08 0.01 -0.03 -0.04 1.22 1.08 1czfB1 THR 79 H -0.21 0.61 0.40 -0.55 8.28 8.54 1czfB1 THR 79 HA -0.04 0.40 0.93 -0.75 4.39 4.93 1czfB1 THR 79 HB 0.03 -0.01 0.10 -0.04 4.32 4.40 1czfB1 THR 79 HG23 0.02 0.01 -0.19 -0.04 1.22 1.01 1czfB1 PHE 80 H 0.24 0.33 0.19 -0.55 8.34 8.55 1czfB1 PHE 80 HA 0.14 0.15 0.95 -0.75 4.62 5.10 1czfB1 PHE 80 HB2 0.29 0.04 0.07 -0.04 3.15 3.50 1czfB1 PHE 80 HB3 0.26 0.11 0.05 -0.04 3.06 3.44 1czfB1 PHE 80 HD2 0.15 0.10 -0.03 -0.04 7.28 7.46 1czfB1 PHE 80 HE2 0.13 0.03 -0.24 -0.04 7.38 7.26 1czfB1 PHE 80 HZ 0.31 -0.05 -0.17 -0.04 7.32 7.37 1czfB1 GLN 81 H 0.19 0.64 0.14 -0.55 8.47 8.89 1czfB1 GLN 81 HA 0.13 0.04 0.60 -0.75 4.36 4.38 1czfB1 GLN 81 HB2 0.08 -0.05 0.08 -0.04 2.15 2.22 1czfB1 GLN 81 HB3 0.06 0.03 0.11 -0.04 2.02 2.18 1czfB1 GLN 81 HG2 0.04 0.02 0.00 -0.04 2.40 2.42 1czfB1 GLN 81 HG3 0.05 0.10 -0.11 -0.04 2.39 2.38 1czfB1 GLN 81 HE21 -0.00 -0.00 0.02 -0.04 6.97 6.95 1czfB1 GLN 81 HE22 0.01 0.02 -0.00 -0.04 7.69 7.68 1czfB1 TYR 82 H 0.14 0.07 0.19 -0.55 8.29 8.13 1czfB1 TYR 82 HA -0.05 0.17 0.56 -0.75 4.56 4.49 1czfB1 TYR 82 HB2 -0.35 0.03 0.12 -0.04 3.06 2.82 1czfB1 TYR 82 HB3 -0.19 -0.05 0.13 -0.04 2.98 2.82 1czfB1 TYR 82 HD2 -1.18 -0.02 -0.11 -0.04 7.15 5.81 1czfB1 TYR 82 HE2 -1.09 -0.02 -0.27 -0.04 6.85 5.43 1czfB1 GLU 83 H -0.31 0.39 0.19 -0.55 8.60 8.33 1czfB1 GLU 83 HA -0.32 0.05 0.41 -0.75 4.29 3.68 1czfB1 GLU 83 HB2 -0.12 0.09 -0.08 -0.04 2.09 1.94 1czfB1 GLU 83 HB3 -0.09 -0.13 -0.07 -0.04 1.99 1.66 1czfB1 GLU 83 HG2 0.02 0.08 -0.44 -0.04 2.34 1.96 1czfB1 GLU 83 HG3 -0.08 -0.03 0.02 -0.04 2.34 2.22 1czfB1 GLU 84 H -0.08 0.13 0.09 -0.55 8.60 8.19 1czfB1 GLU 84 HA 0.43 0.36 0.85 -0.75 4.29 5.18 1czfB1 GLU 84 HB2 0.07 -0.07 0.25 -0.04 2.09 2.30 1czfB1 GLU 84 HB3 0.16 -0.08 0.20 -0.04 1.99 2.23 1czfB1 GLU 84 HG2 0.19 0.17 0.05 -0.04 2.34 2.71 1czfB1 GLU 84 HG3 -0.27 -0.11 -0.05 -0.04 2.34 1.87 1czfB1 TRP 85 H 0.37 0.45 0.06 -0.55 7.97 8.29 1czfB1 TRP 85 HA 0.01 0.11 0.39 -0.75 4.62 4.37 1czfB1 TRP 85 HB2 -0.01 -0.06 0.09 -0.04 3.23 3.22 1czfB1 TRP 85 HB3 0.01 0.09 -0.23 -0.04 3.23 3.05 1czfB1 TRP 85 HD1 0.11 0.31 -0.24 -0.04 7.22 7.36 1czfB1 TRP 85 HE1 0.06 0.07 -0.05 -0.04 10.20 10.24 1czfB1 TRP 85 HE3 -0.03 -0.00 -0.05 -0.04 7.59 7.46 1czfB1 TRP 85 HZ2 -0.04 0.19 -0.34 -0.04 7.44 7.21 1czfB1 TRP 85 HZ3 -0.07 0.04 -0.26 -0.04 7.13 6.81 1czfB1 TRP 85 HH2 -0.09 0.12 -0.62 -0.04 7.19 6.56 1czfB1 ALA 86 H 0.12 0.16 0.05 -0.55 8.40 8.18 1czfB1 ALA 86 HA -0.27 0.25 0.33 -0.75 4.34 3.89 1czfB1 ALA 86 HB3 -0.05 0.01 0.04 -0.04 1.41 1.36 1czfB1 GLY 87 H -2.05 0.02 -0.28 -0.55 8.43 5.57 1czfB1 GLY 87 HA2 -2.45 0.11 0.00 -0.51 4.01 1.17 1czfB1 GLY 87 HA3 -1.04 0.11 0.52 -0.51 4.01 3.10 1czfB1 PRO 88 HA -0.78 0.35 0.31 -0.51 4.44 3.81 1czfB1 PRO 88 HB2 -0.77 0.19 -0.18 -0.04 2.28 1.48 1czfB1 PRO 88 HB3 -2.12 -0.04 -0.10 -0.04 2.02 -0.28 1czfB1 PRO 88 HG2 -0.36 -0.03 -0.21 -0.04 2.03 1.38 1czfB1 PRO 88 HG3 -0.66 -0.02 -0.03 -0.04 2.03 1.27 1czfB1 PRO 88 HD2 -0.19 0.07 -0.06 -0.04 3.68 3.45 1czfB1 PRO 88 HD3 -0.53 0.08 0.27 -0.04 3.65 3.43 1czfB1 LEU 89 H -0.49 0.56 0.30 -0.55 8.37 8.19 1czfB1 LEU 89 HA 0.07 0.11 0.50 -0.75 4.35 4.28 1czfB1 LEU 89 HB2 -0.41 0.10 0.22 -0.04 1.64 1.51 1czfB1 LEU 89 HB3 -0.89 -0.07 0.05 -0.04 1.64 0.69 1czfB1 LEU 89 HG -0.52 0.15 -0.06 -0.04 1.64 1.17 1czfB1 LEU 89 HD13 -0.82 -0.03 -0.02 -0.04 0.93 0.03 1czfB1 LEU 89 HD23 -0.03 -0.00 -0.03 -0.04 0.89 0.78 1czfB1 ILE 90 H -0.46 0.62 0.18 -0.55 8.25 8.03 1czfB1 ILE 90 HA -0.12 0.18 0.89 -0.75 4.18 4.37 1czfB1 ILE 90 HB -0.72 -0.05 0.05 -0.04 1.89 1.12 1czfB1 ILE 90 HG12 0.26 0.04 -0.01 -0.04 1.49 1.74 1czfB1 ILE 90 HG13 0.14 -0.05 -0.42 -0.04 1.21 0.84 1czfB1 ILE 90 HG23 -0.33 0.00 -0.12 -0.04 0.93 0.44 1czfB1 ILE 90 HD13 0.40 -0.02 -0.10 -0.04 0.88 1.13 1czfB1 SER 91 H -0.23 0.59 0.24 -0.55 8.46 8.52 1czfB1 SER 91 HA -0.37 0.14 0.93 -0.75 4.49 4.44 1czfB1 SER 91 HB2 -0.20 0.03 -0.11 -0.04 3.95 3.63 1czfB1 SER 91 HB3 -0.10 -0.08 0.03 -0.04 3.93 3.74 1czfB1 MET 92 H -0.16 0.73 0.28 -0.55 8.47 8.78 1czfB1 MET 92 HA -0.04 0.22 0.46 -0.75 4.52 4.41 1czfB1 MET 92 HB2 -0.10 -0.06 -0.28 -0.04 2.15 1.67 1czfB1 MET 92 HB3 0.18 -0.06 -0.04 -0.04 2.03 2.07 1czfB1 MET 92 HG2 0.09 0.02 -0.13 -0.04 2.63 2.57 1czfB1 MET 92 HG3 0.05 0.16 0.07 -0.04 2.56 2.80 1czfB1 MET 92 HE3 0.31 -0.01 -0.11 -0.04 2.10 2.25 1czfB1 SER 93 H 0.03 0.55 0.32 -0.55 8.46 8.81 1czfB1 SER 93 HA 0.07 0.08 0.29 -0.75 4.49 4.18 1czfB1 SER 93 HB2 0.05 0.10 0.15 -0.04 3.95 4.20 1czfB1 SER 93 HB3 0.06 0.24 -0.07 -0.04 3.93 4.11 1czfB1 GLY 94 H 0.03 0.69 0.44 -0.55 8.43 9.04 1czfB1 GLY 94 HA2 0.01 0.02 0.39 -0.51 4.01 3.93 1czfB1 GLY 94 HA3 0.02 0.23 0.67 -0.51 4.01 4.43 1czfB1 GLU 95 H -0.00 0.23 0.13 -0.55 8.60 8.41 1czfB1 GLU 95 HA -0.14 0.42 0.97 -0.75 4.29 4.79 1czfB1 GLU 95 HB2 -0.09 -0.06 0.03 -0.04 2.09 1.93 1czfB1 GLU 95 HB3 -0.09 -0.02 0.10 -0.04 1.99 1.94 1czfB1 GLU 95 HG2 -1.22 0.04 -0.00 -0.04 2.34 1.12 1czfB1 GLU 95 HG3 -0.33 0.02 -0.04 -0.04 2.34 1.94 1czfB1 HIS 96 H -0.27 0.50 0.20 -0.55 8.41 8.29 1czfB1 HIS 96 HA 0.01 0.41 0.52 -0.75 4.63 4.82 1czfB1 HIS 96 HB2 0.01 -0.06 0.06 -0.04 3.26 3.23 1czfB1 HIS 96 HB3 0.01 0.02 0.24 -0.04 3.20 3.42 1czfB1 HIS 96 HD2 0.01 0.10 0.14 -0.04 6.97 7.18 1czfB1 HIS 96 HE1 0.01 -0.03 -0.01 -0.04 7.75 7.68 1czfB1 ILE 97 H 0.02 0.10 -0.20 -0.55 8.25 7.62 1czfB1 ILE 97 HA 0.05 0.41 0.74 -0.75 4.18 4.62 1czfB1 ILE 97 HB 0.04 -0.12 -0.12 -0.04 1.89 1.64 1czfB1 ILE 97 HG12 0.02 -0.10 -0.75 -0.04 1.49 0.63 1czfB1 ILE 97 HG13 0.04 -0.03 -0.39 -0.04 1.21 0.79 1czfB1 ILE 97 HG23 0.06 0.02 -0.22 -0.04 0.93 0.75 1czfB1 ILE 97 HD13 0.04 0.00 -0.28 -0.04 0.88 0.61 1czfB1 THR 98 H 0.04 0.67 0.26 -0.55 8.28 8.70 1czfB1 THR 98 HA 0.01 0.09 1.01 -0.75 4.39 4.75 1czfB1 THR 98 HB 0.02 0.01 0.21 -0.04 4.32 4.52 1czfB1 THR 98 HG23 0.01 -0.02 -0.11 -0.04 1.22 1.06 1czfB1 VAL 99 H 0.02 0.79 0.34 -0.55 8.24 8.84 1czfB1 VAL 99 HA 0.09 0.31 1.13 -0.75 4.13 4.90 1czfB1 VAL 99 HB 0.07 -0.11 0.30 -0.04 2.12 2.34 1czfB1 VAL 99 HG13 0.35 -0.01 -0.04 -0.04 0.97 1.24 1czfB1 VAL 99 HG23 0.14 0.01 -0.11 -0.04 0.95 0.95 1czfB1 THR 100 H 0.10 0.76 0.52 -0.55 8.28 9.11 1czfB1 THR 100 HA 0.04 0.32 0.88 -0.75 4.39 4.88 1czfB1 THR 100 HB 0.02 -0.01 0.13 -0.04 4.32 4.42 1czfB1 THR 100 HG23 0.02 -0.01 -0.23 -0.04 1.22 0.95 1czfB1 GLY 101 H -0.03 0.34 0.22 -0.55 8.43 8.40 1czfB1 GLY 101 HA2 -0.26 0.09 1.06 -0.51 4.01 4.38 1czfB1 GLY 101 HA3 -1.10 0.03 0.34 -0.51 4.01 2.77 1czfB1 ALA 102 H -0.02 0.70 0.32 -0.55 8.40 8.86 1czfB1 ALA 102 HA 0.05 0.04 0.52 -0.75 4.34 4.20 1czfB1 ALA 102 HB3 0.07 -0.03 0.14 -0.04 1.41 1.55 1czfB1 SER 103 H 0.06 0.08 0.19 -0.55 8.46 8.24 1czfB1 SER 103 HA 0.09 0.09 0.50 -0.75 4.49 4.42 1czfB1 SER 103 HB2 0.04 0.02 0.17 -0.04 3.95 4.15 1czfB1 SER 103 HB3 0.04 -0.02 0.16 -0.04 3.93 4.07 1czfB1 GLY 104 H 0.04 0.16 0.22 -0.55 8.43 8.30 1czfB1 GLY 104 HA2 -0.02 0.00 0.36 -0.51 4.01 3.84 1czfB1 GLY 104 HA3 0.02 0.04 0.40 -0.51 4.01 3.96 1czfB1 HIS 105 H 0.20 0.41 -0.37 -0.55 8.41 8.11 1czfB1 HIS 105 HA 0.06 0.10 0.42 -0.75 4.63 4.45 1czfB1 HIS 105 HB2 0.12 0.02 -0.13 -0.04 3.26 3.24 1czfB1 HIS 105 HB3 0.09 -0.01 0.08 -0.04 3.20 3.32 1czfB1 HIS 105 HD2 0.07 0.00 -0.25 -0.04 6.97 6.75 1czfB1 HIS 105 HE1 0.05 0.43 0.06 -0.04 7.75 8.25 1czfB1 LEU 106 H 0.12 0.67 0.33 -0.55 8.37 8.95 1czfB1 LEU 106 HA -0.18 0.17 0.73 -0.75 4.35 4.30 1czfB1 LEU 106 HB2 -0.08 0.12 -0.22 -0.04 1.64 1.43 1czfB1 LEU 106 HB3 -0.00 -0.07 0.02 -0.04 1.64 1.55 1czfB1 LEU 106 HG -0.00 -0.05 -0.35 -0.04 1.64 1.19 1czfB1 LEU 106 HD13 -0.07 0.03 -0.12 -0.04 0.93 0.72 1czfB1 LEU 106 HD23 -0.02 -0.02 -0.07 -0.04 0.89 0.75 1czfB1 ILE 107 H 0.02 0.78 0.31 -0.55 8.25 8.80 1czfB1 ILE 107 HA 0.15 0.12 0.99 -0.75 4.18 4.69 1czfB1 ILE 107 HB 0.07 -0.03 0.27 -0.04 1.89 2.15 1czfB1 ILE 107 HG12 0.07 0.03 0.04 -0.04 1.49 1.58 1czfB1 ILE 107 HG13 0.10 -0.03 -0.13 -0.04 1.21 1.11 1czfB1 ILE 107 HG23 0.44 -0.01 -0.08 -0.04 0.93 1.24 1czfB1 ILE 107 HD13 -0.58 -0.01 -0.07 -0.04 0.88 0.18 1czfB1 ASN 108 H 0.10 0.60 0.11 -0.55 8.53 8.80 1czfB1 ASN 108 HA 0.02 0.05 1.02 -0.75 4.76 5.09 1czfB1 ASN 108 HB2 0.03 -0.02 0.01 -0.04 2.88 2.85 1czfB1 ASN 108 HB3 0.06 0.07 0.16 -0.04 2.79 3.04 1czfB1 ASN 108 HD21 0.01 -0.03 -0.01 -0.04 7.03 6.95 1czfB1 ASN 108 HD22 0.01 0.04 -0.02 -0.04 7.74 7.73 1czfB1 CYS 109 H -0.02 0.62 0.27 -0.55 8.50 8.82 1czfB1 CYS 109 HA 0.37 0.12 0.58 -0.75 4.58 4.89 1czfB1 CYS 109 HB2 -0.18 0.22 -0.13 -0.04 2.97 2.84 1czfB1 CYS 109 HB3 -0.25 0.01 0.09 -0.04 2.97 2.78 1czfB1 ASP 110 H 0.01 0.03 -0.08 -0.55 8.40 7.81 1czfB1 ASP 110 HA -0.09 -0.09 0.32 -0.75 4.63 4.01 1czfB1 ASP 110 HB2 0.04 0.01 -0.06 -0.04 2.71 2.65 1czfB1 ASP 110 HB3 0.10 0.19 0.03 -0.04 2.70 2.97 1czfB1 GLY 111 H -0.31 0.38 0.02 -0.55 8.43 7.97 1czfB1 GLY 111 HA2 -0.02 0.13 0.27 -0.51 4.01 3.89 1czfB1 GLY 111 HA3 -0.79 0.10 -0.10 -0.51 4.01 2.71 1czfB1 ALA 112 H -0.92 0.02 -0.39 -0.55 8.40 6.56 1czfB1 ALA 112 HA -0.49 0.10 0.36 -0.75 4.34 3.55 1czfB1 ALA 112 HB3 -0.13 -0.00 -0.00 -0.04 1.41 1.23 1czfB1 ARG 113 H -0.23 0.36 -0.36 -0.55 8.46 7.68 1czfB1 ARG 113 HA -0.34 0.03 0.41 -0.75 4.34 3.69 1czfB1 ARG 113 HB2 -0.60 0.11 0.09 -0.04 1.90 1.45 1czfB1 ARG 113 HB3 -1.13 -0.06 0.05 -0.04 1.80 0.62 1czfB1 ARG 113 HG2 -0.37 -0.05 0.04 -0.04 1.67 1.25 1czfB1 ARG 113 HG3 -0.23 -0.02 0.09 -0.04 1.67 1.47 1czfB1 ARG 113 HD2 -0.42 -0.08 0.05 -0.04 3.22 2.73 1czfB1 ARG 113 HD3 -0.18 -0.08 0.05 -0.04 3.22 2.97 1czfB1 TRP 114 H 0.21 0.35 -0.23 -0.55 7.97 7.75 1czfB1 TRP 114 HA 0.20 0.12 0.80 -0.75 4.62 4.98 1czfB1 TRP 114 HB2 -0.08 0.05 0.16 -0.04 3.23 3.32 1czfB1 TRP 114 HB3 0.09 0.00 -0.09 -0.04 3.23 3.19 1czfB1 TRP 114 HD1 0.03 0.14 0.04 -0.04 7.22 7.39 1czfB1 TRP 114 HE1 -0.14 0.38 0.24 -0.04 10.20 10.65 1czfB1 TRP 114 HE3 -0.18 -0.03 0.11 -0.04 7.59 7.45 1czfB1 TRP 114 HZ2 0.07 -0.02 0.15 -0.04 7.44 7.60 1czfB1 TRP 114 HZ3 -0.01 0.35 -0.03 -0.04 7.13 7.39 1czfB1 TRP 114 HH2 0.15 0.07 -0.09 -0.04 7.19 7.28 1czfB1 TRP 115 H -0.02 0.40 0.14 -0.55 7.97 7.94 1czfB1 TRP 115 HA 0.13 -0.08 0.40 -0.75 4.62 4.32 1czfB1 TRP 115 HB2 0.07 0.11 0.07 -0.04 3.23 3.44 1czfB1 TRP 115 HB3 0.05 -0.09 -0.41 -0.04 3.23 2.74 1czfB1 TRP 115 HD1 0.07 0.16 0.08 -0.04 7.22 7.49 1czfB1 TRP 115 HE1 -0.04 0.33 0.03 -0.04 10.20 10.48 1czfB1 TRP 115 HE3 0.01 0.21 -0.19 -0.04 7.59 7.59 1czfB1 TRP 115 HZ2 -0.05 0.04 -0.18 -0.04 7.44 7.21 1czfB1 TRP 115 HZ3 -0.01 -0.02 -0.41 -0.04 7.13 6.65 1czfB1 TRP 115 HH2 -0.03 -0.16 -0.08 -0.04 7.19 6.88 1czfB1 ASP 116 H 0.28 -0.08 0.32 -0.55 8.40 8.37 1czfB1 ASP 116 HA 0.16 0.21 0.76 -0.75 4.63 5.01 1czfB1 ASP 116 HB2 0.12 -0.06 0.20 -0.04 2.71 2.93 1czfB1 ASP 116 HB3 0.16 0.22 -0.07 -0.04 2.70 2.97 1czfB1 GLY 117 H 0.21 0.43 0.28 -0.55 8.43 8.80 1czfB1 GLY 117 HA2 0.41 0.08 0.26 -0.51 4.01 4.25 1czfB1 GLY 117 HA3 0.16 0.09 0.44 -0.51 4.01 4.19 1czfB1 LYS 118 H 0.15 -0.02 -0.30 -0.55 8.42 7.69 1czfB1 LYS 118 HA 0.01 0.22 0.88 -0.75 4.32 4.67 1czfB1 LYS 118 HB2 0.09 0.17 -0.28 -0.04 1.87 1.81 1czfB1 LYS 118 HB3 0.05 -0.15 -0.27 -0.04 1.79 1.38 1czfB1 LYS 118 HG2 0.03 0.03 -0.23 -0.04 1.46 1.25 1czfB1 LYS 118 HG3 0.07 0.23 -0.25 -0.04 1.46 1.48 1czfB1 LYS 118 HD2 0.06 -0.07 -0.08 -0.04 1.69 1.57 1czfB1 LYS 118 HD3 0.04 -0.07 -0.10 -0.04 1.68 1.51 1czfB1 LYS 118 HE2 0.04 -0.05 -0.03 -0.04 2.99 2.91 1czfB1 LYS 118 HE3 0.04 0.04 -0.05 -0.04 2.99 2.98 1czfB1 GLY 119 H 0.16 -0.04 0.01 -0.55 8.43 8.02 1czfB1 GLY 119 HA2 0.12 0.15 0.32 -0.51 4.01 4.10 1czfB1 GLY 119 HA3 0.09 -0.13 0.14 -0.51 4.01 3.60 1czfB1 THR 120 H 0.04 0.04 0.18 -0.55 8.28 7.99 1czfB1 THR 120 HA 0.02 0.12 0.52 -0.75 4.39 4.30 1czfB1 THR 120 HB 0.02 -0.00 0.09 -0.04 4.32 4.38 1czfB1 THR 120 HG23 0.01 -0.02 0.04 -0.04 1.22 1.20 1czfB1 SER 121 H 0.05 0.47 -0.37 -0.55 8.46 8.06 1czfB1 SER 121 HA 0.04 0.16 0.71 -0.75 4.49 4.65 1czfB1 SER 121 HB2 0.03 0.08 0.00 -0.04 3.95 4.02 1czfB1 SER 121 HB3 0.04 -0.12 0.08 -0.04 3.93 3.89 1czfB1 GLY 122 H 0.05 0.05 0.04 -0.55 8.43 8.02 1czfB1 GLY 122 HA2 0.07 -0.03 0.26 -0.51 4.01 3.79 1czfB1 GLY 122 HA3 0.09 0.04 0.47 -0.51 4.01 4.09 1czfB1 LYS 123 H 0.13 0.08 0.10 -0.55 8.42 8.17 1czfB1 LYS 123 HA 0.13 -0.05 0.37 -0.75 4.32 4.00 1czfB1 LYS 123 HB2 0.24 0.10 0.04 -0.04 1.87 2.20 1czfB1 LYS 123 HB3 0.27 0.07 -0.06 -0.04 1.79 2.04 1czfB1 LYS 123 HG2 0.14 -0.07 0.06 -0.04 1.46 1.54 1czfB1 LYS 123 HG3 0.13 -0.08 0.07 -0.04 1.46 1.54 1czfB1 LYS 123 HD2 0.21 0.33 0.07 -0.04 1.69 2.26 1czfB1 LYS 123 HD3 0.24 -0.04 0.06 -0.04 1.68 1.91 1czfB1 LYS 123 HE2 0.10 -0.12 0.03 -0.04 2.99 2.97 1czfB1 LYS 123 HE3 0.08 -0.06 0.02 -0.04 2.99 2.99 1czfB1 LYS 124 H 0.14 0.02 0.09 -0.55 8.42 8.12 1czfB1 LYS 124 HA 0.07 0.12 0.38 -0.75 4.32 4.14 1czfB1 LYS 124 HB2 0.14 -0.10 -0.20 -0.04 1.87 1.68 1czfB1 LYS 124 HB3 0.08 -0.04 -0.32 -0.04 1.79 1.47 1czfB1 LYS 124 HG2 0.07 0.07 -0.08 -0.04 1.46 1.47 1czfB1 LYS 124 HG3 0.09 -0.03 -0.01 -0.04 1.46 1.47 1czfB1 LYS 124 HD2 0.10 0.06 -0.07 -0.04 1.69 1.74 1czfB1 LYS 124 HD3 0.09 -0.05 -0.10 -0.04 1.68 1.57 1czfB1 LYS 124 HE2 0.06 0.03 -0.04 -0.04 2.99 2.99 1czfB1 LYS 124 HE3 0.06 -0.01 -0.02 -0.04 2.99 2.98 1czfB1 LYS 125 H -0.02 0.21 0.06 -0.55 8.42 8.12 1czfB1 LYS 125 HA -0.31 0.14 0.87 -0.75 4.32 4.27 1czfB1 LYS 125 HB2 -0.08 -0.04 -0.09 -0.04 1.87 1.62 1czfB1 LYS 125 HB3 -0.27 -0.06 -0.22 -0.04 1.79 1.21 1czfB1 LYS 125 HG2 0.32 -0.06 -0.32 -0.04 1.46 1.36 1czfB1 LYS 125 HG3 0.14 0.29 -0.40 -0.04 1.46 1.45 1czfB1 LYS 125 HD2 0.14 0.09 -0.01 -0.04 1.69 1.87 1czfB1 LYS 125 HD3 0.30 0.02 -0.12 -0.04 1.68 1.84 1czfB1 LYS 125 HE2 0.28 -0.42 0.03 -0.04 2.99 2.85 1czfB1 LYS 125 HE3 0.31 0.25 -0.17 -0.04 2.99 3.34 1czfB1 PRO 126 HA -0.67 0.07 0.10 -0.51 4.44 3.43 1czfB1 PRO 126 HB2 -0.97 0.03 -0.17 -0.04 2.28 1.12 1czfB1 PRO 126 HB3 -1.72 -0.10 -0.23 -0.04 2.02 -0.07 1czfB1 PRO 126 HG2 -1.03 -0.04 0.06 -0.04 2.03 0.97 1czfB1 PRO 126 HG3 -0.60 0.05 0.05 -0.04 2.03 1.49 1czfB1 PRO 126 HD2 -1.84 0.02 0.20 -0.04 3.68 2.02 1czfB1 PRO 126 HD3 -0.58 0.16 0.26 -0.04 3.65 3.45 1czfB1 LYS 127 H -0.44 0.52 0.13 -0.55 8.42 8.08 1czfB1 LYS 127 HA -0.19 0.02 0.47 -0.75 4.32 3.87 1czfB1 LYS 127 HB2 -0.19 0.01 0.04 -0.04 1.87 1.70 1czfB1 LYS 127 HB3 0.03 -0.04 -0.06 -0.04 1.79 1.68 1czfB1 LYS 127 HG2 -0.05 -0.11 0.03 -0.04 1.46 1.28 1czfB1 LYS 127 HG3 -0.10 0.17 0.09 -0.04 1.46 1.58 1czfB1 LYS 127 HD2 0.24 0.02 -0.04 -0.04 1.69 1.87 1czfB1 LYS 127 HD3 0.12 -0.07 -0.06 -0.04 1.68 1.63 1czfB1 LYS 127 HE2 0.01 -0.05 -0.01 -0.04 2.99 2.89 1czfB1 LYS 127 HE3 0.00 0.09 0.01 -0.04 2.99 3.04 1czfB1 PHE 128 H -0.06 0.59 0.20 -0.55 8.34 8.53 1czfB1 PHE 128 HA -0.44 0.03 0.67 -0.75 4.62 4.13 1czfB1 PHE 128 HB2 -0.33 -0.05 0.13 -0.04 3.15 2.86 1czfB1 PHE 128 HB3 -0.30 0.20 0.48 -0.04 3.06 3.39 1czfB1 PHE 128 HD2 -0.59 -0.02 -0.05 -0.04 7.28 6.58 1czfB1 PHE 128 HE2 -0.29 -0.01 -0.13 -0.04 7.38 6.91 1czfB1 PHE 128 HZ 0.01 -0.01 -0.10 -0.04 7.32 7.17 1czfB1 PHE 129 H -0.21 0.76 0.25 -0.55 8.34 8.59 1czfB1 PHE 129 HA -0.59 0.35 1.06 -0.75 4.62 4.69 1czfB1 PHE 129 HB2 -1.98 -0.04 -0.18 -0.04 3.15 0.90 1czfB1 PHE 129 HB3 -0.76 -0.06 0.03 -0.04 3.06 2.23 1czfB1 PHE 129 HD2 -0.21 -0.06 -0.49 -0.04 7.28 6.48 1czfB1 PHE 129 HE2 0.20 0.00 -0.18 -0.04 7.38 7.36 1czfB1 PHE 129 HZ 0.19 0.02 -0.16 -0.04 7.32 7.33 1czfB1 TYR 130 H -0.36 0.71 0.33 -0.55 8.29 8.42 1czfB1 TYR 130 HA -0.25 0.13 0.91 -0.75 4.56 4.59 1czfB1 TYR 130 HB2 -0.38 0.01 0.31 -0.04 3.06 2.95 1czfB1 TYR 130 HB3 -0.88 -0.03 0.08 -0.04 2.98 2.11 1czfB1 TYR 130 HD2 -0.18 -0.01 -0.20 -0.04 7.15 6.72 1czfB1 TYR 130 HE2 -0.05 -0.00 -0.10 -0.04 6.85 6.66 1czfB1 ALA 131 H 0.32 0.81 0.19 -0.55 8.40 9.17 1czfB1 ALA 131 HA 0.38 0.23 0.77 -0.75 4.34 4.97 1czfB1 ALA 131 HB3 0.51 -0.01 0.08 -0.04 1.41 1.95 1czfB1 HIS 132 H 0.12 0.36 -0.31 -0.55 8.41 8.04 1czfB1 HIS 132 HA 0.05 0.24 0.94 -0.75 4.63 5.11 1czfB1 HIS 132 HB2 0.04 -0.00 0.10 -0.04 3.26 3.37 1czfB1 HIS 132 HB3 -0.00 0.04 0.04 -0.04 3.20 3.23 1czfB1 HIS 132 HD2 0.03 0.06 -0.58 -0.04 6.97 6.43 1czfB1 HIS 132 HE1 -1.17 0.02 -0.07 -0.04 7.75 6.49 1czfB1 GLY 133 H 0.11 0.60 0.33 -0.55 8.43 8.92 1czfB1 GLY 133 HA2 0.05 -0.01 0.42 -0.51 4.01 3.96 1czfB1 GLY 133 HA3 0.06 0.10 0.63 -0.51 4.01 4.29 1czfB1 LEU 134 H 0.12 0.13 -0.40 -0.55 8.37 7.66 1czfB1 LEU 134 HA 0.05 0.21 0.69 -0.75 4.35 4.55 1czfB1 LEU 134 HB2 0.15 0.19 -0.15 -0.04 1.64 1.79 1czfB1 LEU 134 HB3 0.13 -0.07 0.04 -0.04 1.64 1.70 1czfB1 LEU 134 HG 0.03 -0.03 -0.15 -0.04 1.64 1.45 1czfB1 LEU 134 HD13 0.08 0.04 -0.28 -0.04 0.93 0.72 1czfB1 LEU 134 HD23 0.20 -0.00 -0.14 -0.04 0.89 0.91 1czfB1 ASP 135 H -0.01 0.45 -0.14 -0.55 8.40 8.15 1czfB1 ASP 135 HA -0.01 0.28 0.80 -0.75 4.63 4.95 1czfB1 ASP 135 HB2 -0.07 -0.00 0.04 -0.04 2.71 2.64 1czfB1 ASP 135 HB3 -0.04 0.02 0.09 -0.04 2.70 2.73 1czfB1 SER 136 H -0.03 0.57 0.38 -0.55 8.46 8.83 1czfB1 SER 136 HA -0.01 0.20 0.58 -0.75 4.49 4.51 1czfB1 SER 136 HB2 -0.35 -0.07 0.07 -0.04 3.95 3.57 1czfB1 SER 136 HB3 0.02 -0.00 0.30 -0.04 3.93 4.20 1czfB1 SER 137 H -0.04 0.27 -0.03 -0.55 8.46 8.11 1czfB1 SER 137 HA -0.00 0.23 0.95 -0.75 4.49 4.91 1czfB1 SER 137 HB2 -0.04 0.04 -0.23 -0.04 3.95 3.68 1czfB1 SER 137 HB3 -0.02 0.10 0.01 -0.04 3.93 3.97 1czfB1 SER 138 H -0.04 0.68 0.41 -0.55 8.46 8.96 1czfB1 SER 138 HA -0.18 0.22 1.12 -0.75 4.49 4.89 1czfB1 SER 138 HB2 -0.07 -0.02 0.02 -0.04 3.95 3.84 1czfB1 SER 138 HB3 -0.04 -0.01 -0.10 -0.04 3.93 3.74 1czfB1 ILE 139 H -0.29 0.78 0.45 -0.55 8.25 8.64 1czfB1 ILE 139 HA -0.06 0.17 0.90 -0.75 4.18 4.43 1czfB1 ILE 139 HB -0.62 -0.03 0.22 -0.04 1.89 1.42 1czfB1 ILE 139 HG12 -0.07 0.05 -0.05 -0.04 1.49 1.38 1czfB1 ILE 139 HG13 -0.37 -0.02 -0.37 -0.04 1.21 0.42 1czfB1 ILE 139 HG23 -0.07 -0.02 -0.13 -0.04 0.93 0.67 1czfB1 ILE 139 HD13 -0.34 -0.01 -0.11 -0.04 0.88 0.38 1czfB1 THR 140 H 0.00 0.75 0.29 -0.55 8.28 8.77 1czfB1 THR 140 HA -0.00 0.27 1.24 -0.75 4.39 5.15 1czfB1 THR 140 HB 0.01 0.03 0.13 -0.04 4.32 4.46 1czfB1 THR 140 HG23 0.01 -0.01 -0.10 -0.04 1.22 1.08 1czfB1 GLY 141 H 0.04 0.70 0.21 -0.55 8.43 8.84 1czfB1 GLY 141 HA2 0.07 0.32 0.45 -0.51 4.01 4.34 1czfB1 GLY 141 HA3 0.09 -0.02 0.39 -0.51 4.01 3.96 1czfB1 LEU 142 H 0.11 0.00 -0.47 -0.55 8.37 7.47 1czfB1 LEU 142 HA 0.38 0.05 0.35 -0.75 4.35 4.38 1czfB1 LEU 142 HB2 0.19 -0.07 -0.04 -0.04 1.64 1.69 1czfB1 LEU 142 HB3 0.19 0.01 -0.14 -0.04 1.64 1.67 1czfB1 LEU 142 HG 0.08 -0.02 -0.21 -0.04 1.64 1.45 1czfB1 LEU 142 HD13 0.06 -0.00 -0.12 -0.04 0.93 0.83 1czfB1 LEU 142 HD23 0.00 0.02 -0.23 -0.04 0.89 0.64 1czfB1 ASN 143 H 0.42 0.17 0.14 -0.55 8.53 8.71 1czfB1 ASN 143 HA 0.01 0.14 0.97 -0.75 4.76 5.12 1czfB1 ASN 143 HB2 -0.46 0.05 0.25 -0.04 2.88 2.67 1czfB1 ASN 143 HB3 -0.16 -0.05 0.11 -0.04 2.79 2.64 1czfB1 ASN 143 HD21 -0.15 -0.08 0.07 -0.04 7.03 6.82 1czfB1 ASN 143 HD22 -0.68 0.40 0.11 -0.04 7.74 7.53 1czfB1 ILE 144 H 0.05 0.86 0.38 -0.55 8.25 8.99 1czfB1 ILE 144 HA -0.07 0.26 1.05 -0.75 4.18 4.67 1czfB1 ILE 144 HB -0.04 -0.08 0.21 -0.04 1.89 1.94 1czfB1 ILE 144 HG12 0.19 0.10 -0.19 -0.04 1.49 1.56 1czfB1 ILE 144 HG13 0.19 -0.03 -0.09 -0.04 1.21 1.23 1czfB1 ILE 144 HG23 -0.66 -0.01 -0.07 -0.04 0.93 0.15 1czfB1 ILE 144 HD13 0.18 0.02 -0.22 -0.04 0.88 0.81 1czfB1 LYS 145 H -0.11 0.67 0.40 -0.55 8.42 8.82 1czfB1 LYS 145 HA -0.00 0.20 1.13 -0.75 4.32 4.89 1czfB1 LYS 145 HB2 -0.02 0.05 -0.08 -0.04 1.87 1.78 1czfB1 LYS 145 HB3 -0.01 -0.04 0.16 -0.04 1.79 1.86 1czfB1 LYS 145 HG2 0.02 -0.09 -0.11 -0.04 1.46 1.23 1czfB1 LYS 145 HG3 0.03 0.08 0.20 -0.04 1.46 1.73 1czfB1 LYS 145 HD2 -0.01 0.04 0.01 -0.04 1.69 1.68 1czfB1 LYS 145 HD3 -0.00 0.00 -0.00 -0.04 1.68 1.64 1czfB1 LYS 145 HE2 0.02 -0.04 -0.00 -0.04 2.99 2.93 1czfB1 LYS 145 HE3 0.03 -0.05 0.02 -0.04 2.99 2.95 1czfB1 ASN 146 H 0.07 0.68 0.27 -0.55 8.53 9.01 1czfB1 ASN 146 HA 0.33 0.05 0.43 -0.75 4.76 4.82 1czfB1 ASN 146 HB2 -0.03 -0.01 -0.10 -0.04 2.88 2.69 1czfB1 ASN 146 HB3 -0.21 -0.11 0.13 -0.04 2.79 2.56 1czfB1 ASN 146 HD21 0.10 0.02 0.00 -0.04 7.03 7.11 1czfB1 ASN 146 HD22 0.01 0.00 -0.02 -0.04 7.74 7.69 1czfB1 THR 147 H 0.00 0.04 -0.08 -0.55 8.28 7.70 1czfB1 THR 147 HA -0.28 0.13 0.44 -0.75 4.39 3.94 1czfB1 THR 147 HB -0.19 0.13 -0.12 -0.04 4.32 4.10 1czfB1 THR 147 HG23 -0.53 -0.04 -0.08 -0.04 1.22 0.52 1czfB1 PRO 148 HA -0.05 -0.01 0.51 -0.51 4.44 4.38 1czfB1 PRO 148 HB2 -0.76 0.04 -0.03 -0.04 2.28 1.49 1czfB1 PRO 148 HB3 -0.80 -0.01 0.16 -0.04 2.02 1.33 1czfB1 PRO 148 HG2 -0.73 0.39 0.08 -0.04 2.03 1.73 1czfB1 PRO 148 HG3 -1.53 0.05 0.08 -0.04 2.03 0.60 1czfB1 PRO 148 HD2 -0.41 0.04 0.20 -0.04 3.68 3.46 1czfB1 PRO 148 HD3 -0.42 0.18 0.14 -0.04 3.65 3.51 1czfB1 LEU 149 H -0.14 0.11 -0.40 -0.55 8.37 7.40 1czfB1 LEU 149 HA 0.03 0.17 0.49 -0.75 4.35 4.28 1czfB1 LEU 149 HB2 -0.15 0.04 -0.52 -0.04 1.64 0.97 1czfB1 LEU 149 HB3 -0.14 -0.04 -0.14 -0.04 1.64 1.28 1czfB1 LEU 149 HG -0.04 -0.06 0.09 -0.04 1.64 1.59 1czfB1 LEU 149 HD13 0.02 0.03 -0.16 -0.04 0.93 0.77 1czfB1 LEU 149 HD23 -0.07 0.02 -0.06 -0.04 0.89 0.73 1czfB1 MET 150 H -0.06 0.11 0.08 -0.55 8.47 8.06 1czfB1 MET 150 HA -0.05 0.03 0.23 -0.75 4.52 3.98 1czfB1 MET 150 HB2 -0.01 -0.04 -0.08 -0.04 2.15 1.98 1czfB1 MET 150 HB3 -0.01 0.02 -0.20 -0.04 2.03 1.80 1czfB1 MET 150 HG2 -0.01 -0.05 -0.08 -0.04 2.63 2.45 1czfB1 MET 150 HG3 -0.03 -0.03 -0.02 -0.04 2.56 2.44 1czfB1 MET 150 HE3 -0.01 -0.02 0.03 -0.04 2.10 2.05 1czfB1 ALA 151 H -0.07 0.77 0.13 -0.55 8.40 8.68 1czfB1 ALA 151 HA -0.02 0.03 0.67 -0.75 4.34 4.26 1czfB1 ALA 151 HB3 -0.19 0.04 0.22 -0.04 1.41 1.44 1czfB1 PHE 152 H -0.07 0.70 0.29 -0.55 8.34 8.71 1czfB1 PHE 152 HA 0.09 0.27 0.92 -0.75 4.62 5.15 1czfB1 PHE 152 HB2 -0.42 0.05 0.25 -0.04 3.15 2.98 1czfB1 PHE 152 HB3 -0.08 0.00 -0.08 -0.04 3.06 2.86 1czfB1 PHE 152 HD2 -0.43 0.08 -0.03 -0.04 7.28 6.86 1czfB1 PHE 152 HE2 -0.64 0.00 -0.13 -0.04 7.38 6.58 1czfB1 PHE 152 HZ 0.02 -0.01 -0.13 -0.04 7.32 7.16 1czfB1 SER 153 H 0.27 0.80 0.36 -0.55 8.46 9.34 1czfB1 SER 153 HA 0.14 0.12 0.86 -0.75 4.49 4.86 1czfB1 SER 153 HB2 0.15 -0.01 -0.03 -0.04 3.95 4.03 1czfB1 SER 153 HB3 0.16 -0.04 0.19 -0.04 3.93 4.20 1czfB1 VAL 154 H 0.15 0.90 0.32 -0.55 8.24 9.06 1czfB1 VAL 154 HA 0.32 0.21 0.95 -0.75 4.13 4.85 1czfB1 VAL 154 HB 0.13 -0.04 0.18 -0.04 2.12 2.35 1czfB1 VAL 154 HG13 0.25 -0.02 -0.07 -0.04 0.97 1.09 1czfB1 VAL 154 HG23 0.14 0.01 -0.18 -0.04 0.95 0.87 1czfB1 GLN 155 H 0.24 0.66 0.13 -0.55 8.47 8.95 1czfB1 GLN 155 HA -0.00 0.45 0.68 -0.75 4.36 4.73 1czfB1 GLN 155 HB2 -0.30 -0.11 0.19 -0.04 2.15 1.89 1czfB1 GLN 155 HB3 -0.18 0.01 0.17 -0.04 2.02 1.98 1czfB1 GLN 155 HG2 -0.13 0.26 -0.17 -0.04 2.40 2.31 1czfB1 GLN 155 HG3 -0.60 -0.07 -0.31 -0.04 2.39 1.36 1czfB1 GLN 155 HE21 -0.28 -0.03 -0.05 -0.04 6.97 6.58 1czfB1 GLN 155 HE22 -0.72 -0.02 -0.04 -0.04 7.69 6.88 1czfB1 ALA 156 H 0.08 0.25 0.11 -0.55 8.40 8.30 1czfB1 ALA 156 HA 0.05 0.06 0.79 -0.75 4.34 4.49 1czfB1 ALA 156 HB3 0.11 0.03 -0.16 -0.04 1.41 1.35 1czfB1 ASN 157 H 0.03 0.15 0.16 -0.55 8.53 8.32 1czfB1 ASN 157 HA 0.03 0.22 1.07 -0.75 4.76 5.33 1czfB1 ASN 157 HB2 0.00 -0.06 0.18 -0.04 2.88 2.97 1czfB1 ASN 157 HB3 0.01 0.10 0.19 -0.04 2.79 3.04 1czfB1 ASN 157 HD21 0.01 0.03 -0.03 -0.04 7.03 6.99 1czfB1 ASN 157 HD22 0.00 0.01 0.03 -0.04 7.74 7.74 1czfB1 ASP 158 H 0.03 0.56 0.56 -0.55 8.40 9.01 1czfB1 ASP 158 HA 0.03 0.03 0.51 -0.75 4.63 4.46 1czfB1 ASP 158 HB2 0.01 0.01 0.09 -0.04 2.71 2.78 1czfB1 ASP 158 HB3 -0.00 -0.11 0.14 -0.04 2.70 2.69 1czfB1 ILE 159 H 0.05 0.53 0.16 -0.55 8.25 8.44 1czfB1 ILE 159 HA -0.05 0.34 1.09 -0.75 4.18 4.81 1czfB1 ILE 159 HB 0.02 0.13 -0.06 -0.04 1.89 1.94 1czfB1 ILE 159 HG12 -0.41 -0.07 -0.23 -0.04 1.49 0.74 1czfB1 ILE 159 HG13 -0.24 0.09 -0.01 -0.04 1.21 1.00 1czfB1 ILE 159 HG23 0.17 -0.03 -0.05 -0.04 0.93 0.98 1czfB1 ILE 159 HD13 0.04 0.01 -0.04 -0.04 0.88 0.84 1czfB1 THR 160 H -0.18 0.63 0.42 -0.55 8.28 8.61 1czfB1 THR 160 HA -0.00 0.25 1.18 -0.75 4.39 5.07 1czfB1 THR 160 HB -0.07 -0.02 0.14 -0.04 4.32 4.33 1czfB1 THR 160 HG23 -0.03 -0.02 -0.16 -0.04 1.22 0.97 1czfB1 PHE 161 H 0.06 0.82 0.45 -0.55 8.34 9.12 1czfB1 PHE 161 HA -0.14 0.31 1.04 -0.75 4.62 5.07 1czfB1 PHE 161 HB2 -0.36 -0.06 0.31 -0.04 3.15 3.00 1czfB1 PHE 161 HB3 -0.20 -0.03 0.06 -0.04 3.06 2.86 1czfB1 PHE 161 HD2 -0.38 0.04 -0.08 -0.04 7.28 6.82 1czfB1 PHE 161 HE2 -0.39 -0.01 -0.12 -0.04 7.38 6.82 1czfB1 PHE 161 HZ 0.06 0.00 -0.11 -0.04 7.32 7.23 1czfB1 THR 162 H -0.04 0.71 0.41 -0.55 8.28 8.82 1czfB1 THR 162 HA -0.10 0.30 1.20 -0.75 4.39 5.04 1czfB1 THR 162 HB -0.03 -0.02 0.10 -0.04 4.32 4.33 1czfB1 THR 162 HG23 -0.05 0.00 -0.07 -0.04 1.22 1.06 1czfB1 ASP 163 H -0.06 0.67 0.24 -0.55 8.40 8.69 1czfB1 ASP 163 HA 0.01 0.33 0.40 -0.75 4.63 4.62 1czfB1 ASP 163 HB2 0.02 -0.03 -0.03 -0.04 2.71 2.63 1czfB1 ASP 163 HB3 0.02 0.01 0.26 -0.04 2.70 2.95 1czfB1 VAL 164 H 0.06 0.09 -0.34 -0.55 8.24 7.50 1czfB1 VAL 164 HA 0.13 0.21 0.73 -0.75 4.13 4.45 1czfB1 VAL 164 HB 0.23 -0.06 -0.02 -0.04 2.12 2.23 1czfB1 VAL 164 HG13 0.18 0.00 -0.22 -0.04 0.97 0.89 1czfB1 VAL 164 HG23 0.10 -0.03 -0.17 -0.04 0.95 0.81 1czfB1 THR 165 H 0.14 0.77 0.33 -0.55 8.28 8.97 1czfB1 THR 165 HA 0.33 0.23 1.12 -0.75 4.39 5.31 1czfB1 THR 165 HB 0.02 -0.01 0.27 -0.04 4.32 4.56 1czfB1 THR 165 HG23 -0.03 -0.03 -0.09 -0.04 1.22 1.03 1czfB1 ILE 166 H 0.36 0.86 0.39 -0.55 8.25 9.32 1czfB1 ILE 166 HA 0.09 0.15 0.95 -0.75 4.18 4.62 1czfB1 ILE 166 HB 0.10 -0.04 0.28 -0.04 1.89 2.18 1czfB1 ILE 166 HG12 0.11 0.02 -0.06 -0.04 1.49 1.52 1czfB1 ILE 166 HG13 0.17 -0.02 -0.40 -0.04 1.21 0.93 1czfB1 ILE 166 HG23 -0.03 -0.02 -0.09 -0.04 0.93 0.75 1czfB1 ILE 166 HD13 -0.17 -0.00 0.01 -0.04 0.88 0.67 1czfB1 ASN 167 H 0.10 0.90 0.26 -0.55 8.53 9.24 1czfB1 ASN 167 HA 0.41 0.11 1.06 -0.75 4.76 5.59 1czfB1 ASN 167 HB2 0.08 0.06 0.09 -0.04 2.88 3.07 1czfB1 ASN 167 HB3 0.05 0.16 0.33 -0.04 2.79 3.28 1czfB1 ASN 167 HD21 0.02 -0.01 0.03 -0.04 7.03 7.03 1czfB1 ASN 167 HD22 -0.01 0.09 0.07 -0.04 7.74 7.85 1czfB1 ASN 168 H 0.12 0.78 0.33 -0.55 8.53 9.20 1czfB1 ASN 168 HA 0.15 -0.00 0.98 -0.75 4.76 5.13 1czfB1 ASN 168 HB2 -0.01 0.29 0.30 -0.04 2.88 3.42 1czfB1 ASN 168 HB3 -0.11 -0.09 0.24 -0.04 2.79 2.79 1czfB1 ASN 168 HD21 0.19 0.30 0.04 -0.04 7.03 7.53 1czfB1 ASN 168 HD22 -0.01 -0.07 0.01 -0.04 7.74 7.62 1czfB1 ALA 169 H -0.06 0.11 -0.15 -0.55 8.40 7.76 1czfB1 ALA 169 HA -1.19 0.12 0.28 -0.75 4.34 2.79 1czfB1 ALA 169 HB3 -0.20 0.03 0.06 -0.04 1.41 1.25 1czfB1 ASP 170 H 0.03 0.09 -0.26 -0.55 8.40 7.71 1czfB1 ASP 170 HA 0.02 0.11 0.31 -0.75 4.63 4.32 1czfB1 ASP 170 HB2 0.40 -0.04 -0.02 -0.04 2.71 3.02 1czfB1 ASP 170 HB3 0.30 0.06 -0.01 -0.04 2.70 3.01 1czfB1 GLY 171 H -0.27 0.42 -0.43 -0.55 8.43 7.60 1czfB1 GLY 171 HA2 -1.46 0.01 0.27 -0.51 4.01 2.33 1czfB1 GLY 171 HA3 -1.21 0.11 0.23 -0.51 4.01 2.63 1czfB1 ASP 172 H -0.24 0.50 -0.38 -0.55 8.40 7.73 1czfB1 ASP 172 HA -0.19 0.11 0.39 -0.75 4.63 4.18 1czfB1 ASP 172 HB2 -0.07 0.09 0.11 -0.04 2.71 2.80 1czfB1 ASP 172 HB3 -0.03 -0.02 -0.01 -0.04 2.70 2.61 1czfB1 THR 173 H -0.08 0.27 -0.19 -0.55 8.28 7.73 1czfB1 THR 173 HA -0.02 0.24 0.96 -0.75 4.39 4.82 1czfB1 THR 173 HB 0.01 0.00 0.11 -0.04 4.32 4.41 1czfB1 THR 173 HG23 -0.00 -0.01 -0.11 -0.04 1.22 1.06 1czfB1 GLN 174 H -0.06 0.19 -0.06 -0.55 8.47 7.99 1czfB1 GLN 174 HA 0.11 0.29 1.01 -0.75 4.36 5.01 1czfB1 GLN 174 HB2 0.47 -0.02 -0.04 -0.04 2.15 2.52 1czfB1 GLN 174 HB3 0.43 0.05 0.15 -0.04 2.02 2.62 1czfB1 GLN 174 HG2 0.13 0.08 -0.03 -0.04 2.40 2.54 1czfB1 GLN 174 HG3 0.13 -0.05 -0.21 -0.04 2.39 2.22 1czfB1 GLN 174 HE21 0.05 -0.05 -0.03 -0.04 6.97 6.90 1czfB1 GLN 174 HE22 0.07 0.07 -0.02 -0.04 7.69 7.76 1czfB1 GLY 175 H -0.08 0.19 -0.31 -0.55 8.43 7.68 1czfB1 GLY 175 HA2 -0.01 0.09 0.19 -0.51 4.01 3.77 1czfB1 GLY 175 HA3 0.11 0.08 0.31 -0.51 4.01 4.00 1czfB1 GLY 176 H -0.68 0.45 0.07 -0.55 8.43 7.71 1czfB1 GLY 176 HA2 -1.22 0.09 0.49 -0.51 4.01 2.86 1czfB1 GLY 176 HA3 -1.42 -0.09 0.27 -0.51 4.01 2.26 1czfB1 HIS 177 H -0.23 0.39 0.17 -0.55 8.41 8.19 1czfB1 HIS 177 HA -0.16 0.14 0.44 -0.75 4.63 4.30 1czfB1 HIS 177 HB2 -0.04 -0.12 -0.24 -0.04 3.26 2.82 1czfB1 HIS 177 HB3 -0.03 -0.02 -0.11 -0.04 3.20 2.99 1czfB1 HIS 177 HD2 -0.03 -0.07 0.11 -0.04 6.97 6.94 1czfB1 HIS 177 HE1 -0.03 -0.05 -0.03 -0.04 7.75 7.60 1czfB1 ASN 178 H -0.02 0.29 0.00 -0.55 8.53 8.25 1czfB1 ASN 178 HA -0.06 -0.03 0.26 -0.75 4.76 4.17 1czfB1 ASN 178 HB2 0.02 0.22 -0.15 -0.04 2.88 2.93 1czfB1 ASN 178 HB3 -0.01 -0.00 0.15 -0.04 2.79 2.89 1czfB1 ASN 178 HD21 0.04 0.08 -0.01 -0.04 7.03 7.10 1czfB1 ASN 178 HD22 0.01 -0.06 0.03 -0.04 7.74 7.68 1czfB1 THR 179 H -0.14 0.00 -0.63 -0.55 8.28 6.96 1czfB1 THR 179 HA -0.05 0.35 0.14 -0.75 4.39 4.08 1czfB1 THR 179 HB -0.07 0.03 0.02 -0.04 4.32 4.26 1czfB1 THR 179 HG23 -0.09 0.07 -0.30 -0.04 1.22 0.85 1czfB1 ASP 180 H -0.07 0.20 -0.76 -0.55 8.40 7.22 1czfB1 ASP 180 HA -0.08 0.11 0.06 -0.75 4.63 3.97 1czfB1 ASP 180 HB2 -0.03 -0.02 -0.20 -0.04 2.71 2.42 1czfB1 ASP 180 HB3 -0.02 0.05 -0.30 -0.04 2.70 2.39 1czfB1 ALA 181 H -0.04 0.55 0.16 -0.55 8.40 8.52 1czfB1 ALA 181 HA -0.17 0.04 0.56 -0.75 4.34 4.01 1czfB1 ALA 181 HB3 -0.05 0.09 0.20 -0.04 1.41 1.61 1czfB1 PHE 182 H 0.11 0.29 -0.04 -0.55 8.34 8.15 1czfB1 PHE 182 HA 0.02 0.27 1.00 -0.75 4.62 5.15 1czfB1 PHE 182 HB2 -0.01 -0.04 0.20 -0.04 3.15 3.27 1czfB1 PHE 182 HB3 -0.12 0.01 -0.04 -0.04 3.06 2.87 1czfB1 PHE 182 HD2 -0.34 0.11 -0.01 -0.04 7.28 7.00 1czfB1 PHE 182 HE2 -0.66 -0.01 -0.07 -0.04 7.38 6.60 1czfB1 PHE 182 HZ -0.18 -0.01 -0.08 -0.04 7.32 7.01 1czfB1 ASP 183 H 0.10 0.81 0.25 -0.55 8.40 9.00 1czfB1 ASP 183 HA 0.04 0.20 0.97 -0.75 4.63 5.08 1czfB1 ASP 183 HB2 0.06 0.03 0.19 -0.04 2.71 2.94 1czfB1 ASP 183 HB3 0.03 0.02 0.00 -0.04 2.70 2.71 1czfB1 VAL 184 H 0.03 0.75 0.41 -0.55 8.24 8.88 1czfB1 VAL 184 HA 0.06 0.30 1.15 -0.75 4.13 4.89 1czfB1 VAL 184 HB 0.02 -0.08 0.17 -0.04 2.12 2.18 1czfB1 VAL 184 HG13 0.04 0.04 -0.10 -0.04 0.97 0.91 1czfB1 VAL 184 HG23 0.06 -0.01 -0.22 -0.04 0.95 0.73 1czfB1 GLY 185 H 0.02 0.81 0.39 -0.55 8.43 9.10 1czfB1 GLY 185 HA2 -0.01 0.10 0.72 -0.51 4.01 4.32 1czfB1 GLY 185 HA3 -0.03 0.00 0.34 -0.51 4.01 3.82 1czfB1 ASN 186 H -0.02 0.08 -0.02 -0.55 8.53 8.03 1czfB1 ASN 186 HA -0.01 -0.01 0.28 -0.75 4.76 4.25 1czfB1 ASN 186 HB2 -0.06 0.12 -0.18 -0.04 2.88 2.72 1czfB1 ASN 186 HB3 -0.03 0.02 0.12 -0.04 2.79 2.86 1czfB1 ASN 186 HD21 -0.05 -0.03 -0.04 -0.04 7.03 6.87 1czfB1 ASN 186 HD22 -0.08 0.07 -0.18 -0.04 7.74 7.50 1czfB1 SER 187 H 0.01 0.13 -0.14 -0.55 8.46 7.92 1czfB1 SER 187 HA 0.02 0.18 0.79 -0.75 4.49 4.73 1czfB1 SER 187 HB2 0.04 -0.10 -0.05 -0.04 3.95 3.80 1czfB1 SER 187 HB3 0.06 0.19 -0.01 -0.04 3.93 4.14 1czfB1 VAL 188 H 0.03 0.32 0.15 -0.55 8.24 8.19 1czfB1 VAL 188 HA 0.02 0.22 1.01 -0.75 4.13 4.63 1czfB1 VAL 188 HB 0.01 -0.03 0.18 -0.04 2.12 2.24 1czfB1 VAL 188 HG13 0.01 0.00 -0.06 -0.04 0.97 0.87 1czfB1 VAL 188 HG23 0.01 -0.01 -0.18 -0.04 0.95 0.72 1czfB1 GLY 189 H 0.04 0.70 0.31 -0.55 8.43 8.93 1czfB1 GLY 189 HA2 0.05 0.22 0.59 -0.51 4.01 4.36 1czfB1 GLY 189 HA3 0.04 -0.03 0.86 -0.51 4.01 4.36 1czfB1 VAL 190 H 0.08 0.59 0.42 -0.55 8.24 8.79 1czfB1 VAL 190 HA 0.11 0.31 1.01 -0.75 4.13 4.80 1czfB1 VAL 190 HB 0.07 -0.10 0.12 -0.04 2.12 2.18 1czfB1 VAL 190 HG13 0.11 -0.00 -0.15 -0.04 0.97 0.89 1czfB1 VAL 190 HG23 0.09 -0.01 -0.25 -0.04 0.95 0.74 1czfB1 ASN 191 H 0.10 0.78 0.41 -0.55 8.53 9.28 1czfB1 ASN 191 HA 0.12 0.24 1.13 -0.75 4.76 5.51 1czfB1 ASN 191 HB2 0.08 -0.06 0.18 -0.04 2.88 3.05 1czfB1 ASN 191 HB3 0.19 -0.01 0.04 -0.04 2.79 2.97 1czfB1 ASN 191 HD21 0.11 -0.02 -0.18 -0.04 7.03 6.90 1czfB1 ASN 191 HD22 0.09 0.04 -0.20 -0.04 7.74 7.63 1czfB1 ILE 192 H -0.28 0.85 0.39 -0.55 8.25 8.65 1czfB1 ILE 192 HA -0.29 0.23 1.05 -0.75 4.18 4.41 1czfB1 ILE 192 HB -0.45 -0.05 0.29 -0.04 1.89 1.64 1czfB1 ILE 192 HG12 -0.60 0.04 -0.05 -0.04 1.49 0.84 1czfB1 ILE 192 HG13 -0.17 -0.07 -0.43 -0.04 1.21 0.49 1czfB1 ILE 192 HG23 -1.07 -0.00 -0.03 -0.04 0.93 -0.22 1czfB1 ILE 192 HD13 -0.42 -0.01 -0.09 -0.04 0.88 0.31 1czfB1 ILE 193 H -0.30 0.78 0.35 -0.55 8.25 8.54 1czfB1 ILE 193 HA -0.59 0.15 1.02 -0.75 4.18 4.01 1czfB1 ILE 193 HB -0.21 -0.04 0.18 -0.04 1.89 1.78 1czfB1 ILE 193 HG12 -0.88 0.02 -0.10 -0.04 1.49 0.49 1czfB1 ILE 193 HG13 -0.43 -0.11 -0.33 -0.04 1.21 0.30 1czfB1 ILE 193 HG23 -0.22 0.00 -0.08 -0.04 0.93 0.59 1czfB1 ILE 193 HD13 -0.04 0.01 -0.08 -0.04 0.88 0.73 1czfB1 LYS 194 H -0.37 0.67 0.36 -0.55 8.42 8.52 1czfB1 LYS 194 HA -0.17 0.36 0.35 -0.75 4.32 4.10 1czfB1 LYS 194 HB2 -0.09 -0.10 -0.05 -0.04 1.87 1.59 1czfB1 LYS 194 HB3 -0.03 0.01 0.28 -0.04 1.79 2.00 1czfB1 LYS 194 HG2 -0.08 0.14 0.20 -0.04 1.46 1.69 1czfB1 LYS 194 HG3 -0.14 -0.08 0.05 -0.04 1.46 1.25 1czfB1 LYS 194 HD2 -0.05 -0.05 0.00 -0.04 1.69 1.55 1czfB1 LYS 194 HD3 -0.03 0.01 0.06 -0.04 1.68 1.69 1czfB1 LYS 194 HE2 -0.04 0.03 0.06 -0.04 2.99 3.00 1czfB1 LYS 194 HE3 -0.06 -0.03 0.02 -0.04 2.99 2.88 1czfB1 PRO 195 HA 0.07 0.21 0.60 -0.51 4.44 4.80 1czfB1 PRO 195 HB2 0.22 0.01 -0.04 -0.04 2.28 2.43 1czfB1 PRO 195 HB3 -0.18 -0.01 -0.01 -0.04 2.02 1.78 1czfB1 PRO 195 HG2 -0.26 -0.10 -0.04 -0.04 2.03 1.59 1czfB1 PRO 195 HG3 -1.03 0.02 -0.08 -0.04 2.03 0.89 1czfB1 PRO 195 HD2 -0.57 0.11 -0.15 -0.04 3.68 3.03 1czfB1 PRO 195 HD3 -0.65 0.06 -0.51 -0.04 3.65 2.50 1czfB1 TRP 196 H 0.31 0.69 0.41 -0.55 7.97 8.84 1czfB1 TRP 196 HA 0.04 0.11 0.94 -0.75 4.62 4.95 1czfB1 TRP 196 HB2 0.01 0.10 -0.01 -0.04 3.23 3.29 1czfB1 TRP 196 HB3 0.03 -0.09 0.20 -0.04 3.23 3.33 1czfB1 TRP 196 HD1 0.01 0.05 0.04 -0.04 7.22 7.28 1czfB1 TRP 196 HE1 0.01 -0.01 -0.01 -0.04 10.20 10.15 1czfB1 TRP 196 HE3 0.05 -0.10 -0.46 -0.04 7.59 7.05 1czfB1 TRP 196 HZ2 0.05 -0.00 -0.05 -0.04 7.44 7.40 1czfB1 TRP 196 HZ3 0.09 -0.11 -0.05 -0.04 7.13 7.01 1czfB1 TRP 196 HH2 0.16 -0.06 -0.03 -0.04 7.19 7.22 1czfB1 VAL 197 H -0.52 0.78 0.37 -0.55 8.24 8.31 1czfB1 VAL 197 HA 0.10 0.27 1.20 -0.75 4.13 4.95 1czfB1 VAL 197 HB -0.06 -0.01 0.26 -0.04 2.12 2.26 1czfB1 VAL 197 HG13 -0.02 -0.02 -0.08 -0.04 0.97 0.81 1czfB1 VAL 197 HG23 0.19 -0.00 -0.14 -0.04 0.95 0.96 1czfB1 HIS 198 H 0.11 0.62 0.34 -0.55 8.41 8.93 1czfB1 HIS 198 HA -0.25 0.28 0.88 -0.75 4.63 4.78 1czfB1 HIS 198 HB2 -0.25 0.05 0.04 -0.04 3.26 3.07 1czfB1 HIS 198 HB3 0.17 -0.26 0.27 -0.04 3.20 3.35 1czfB1 HIS 198 HD2 -0.09 0.21 -0.32 -0.04 6.97 6.73 1czfB1 HIS 198 HE1 0.03 0.02 -0.00 -0.04 7.75 7.76 1czfB1 ASN 199 H 0.01 0.61 0.19 -0.55 8.53 8.79 1czfB1 ASN 199 HA -0.05 0.13 0.61 -0.75 4.76 4.70 1czfB1 ASN 199 HB2 -0.10 0.00 0.09 -0.04 2.88 2.84 1czfB1 ASN 199 HB3 -0.03 0.03 -0.22 -0.04 2.79 2.53 1czfB1 ASN 199 HD21 -0.07 0.19 -0.33 -0.04 7.03 6.78 1czfB1 ASN 199 HD22 -0.08 0.44 -0.08 -0.04 7.74 7.98 1czfB1 GLN 200 H -0.18 0.11 -0.08 -0.55 8.47 7.78 1czfB1 GLN 200 HA -0.14 0.47 0.79 -0.75 4.36 4.73 1czfB1 GLN 200 HB2 -0.34 -0.20 -0.37 -0.04 2.15 1.19 1czfB1 GLN 200 HB3 -0.30 0.11 0.04 -0.04 2.02 1.83 1czfB1 GLN 200 HG2 -0.53 0.32 -0.27 -0.04 2.40 1.88 1czfB1 GLN 200 HG3 -0.25 0.14 -0.32 -0.04 2.39 1.92 1czfB1 GLN 200 HE21 -0.28 0.46 -0.17 -0.04 6.97 6.94 1czfB1 GLN 200 HE22 -0.20 0.11 -0.40 -0.04 7.69 7.16 1czfB1 ASP 201 H -0.20 0.25 -0.18 -0.55 8.40 7.72 1czfB1 ASP 201 HA -1.22 0.24 0.33 -0.75 4.63 3.22 1czfB1 ASP 201 HB2 -0.24 -0.18 -0.29 -0.04 2.71 1.95 1czfB1 ASP 201 HB3 -0.18 0.05 -0.21 -0.04 2.70 2.32 1czfB1 ASP 202 H -0.12 0.20 -0.00 -0.55 8.40 7.93 1czfB1 ASP 202 HA -0.01 -0.02 0.23 -0.75 4.63 4.09 1czfB1 ASP 202 HB2 -0.03 -0.07 -0.10 -0.04 2.71 2.48 1czfB1 ASP 202 HB3 -0.02 0.22 -0.39 -0.04 2.70 2.46 1czfB1 CYS 203 H -0.04 0.60 0.30 -0.55 8.50 8.81 1czfB1 CYS 203 HA 0.02 0.03 0.62 -0.75 4.58 4.50 1czfB1 CYS 203 HB2 -0.05 -0.10 0.08 -0.04 2.97 2.87 1czfB1 CYS 203 HB3 -0.10 0.07 -0.03 -0.04 2.97 2.87 1czfB1 LEU 204 H -0.10 0.41 0.25 -0.55 8.37 8.38 1czfB1 LEU 204 HA 0.07 0.24 0.77 -0.75 4.35 4.68 1czfB1 LEU 204 HB2 -0.56 0.03 -0.08 -0.04 1.64 1.00 1czfB1 LEU 204 HB3 -0.41 -0.11 0.10 -0.04 1.64 1.18 1czfB1 LEU 204 HG -0.12 0.06 -0.29 -0.04 1.64 1.25 1czfB1 LEU 204 HD13 0.02 0.03 -0.06 -0.04 0.93 0.89 1czfB1 LEU 204 HD23 -0.32 -0.01 -0.14 -0.04 0.89 0.38 1czfB1 ALA 205 H 0.02 0.66 0.21 -0.55 8.40 8.75 1czfB1 ALA 205 HA -0.03 0.26 0.77 -0.75 4.34 4.59 1czfB1 ALA 205 HB3 -0.01 -0.01 0.04 -0.04 1.41 1.39 1czfB1 VAL 206 H -0.03 0.65 0.25 -0.55 8.24 8.56 1czfB1 VAL 206 HA -0.00 0.15 1.03 -0.75 4.13 4.55 1czfB1 VAL 206 HB -0.03 -0.05 0.22 -0.04 2.12 2.22 1czfB1 VAL 206 HG13 -0.01 0.01 -0.25 -0.04 0.97 0.68 1czfB1 VAL 206 HG23 -0.04 0.01 -0.12 -0.04 0.95 0.76 1czfB1 ASN 207 H -0.00 0.74 0.33 -0.55 8.53 9.04 1czfB1 ASN 207 HA -0.02 0.02 0.51 -0.75 4.76 4.52 1czfB1 ASN 207 HB2 -0.01 0.02 0.12 -0.04 2.88 2.96 1czfB1 ASN 207 HB3 -0.01 0.02 0.07 -0.04 2.79 2.82 1czfB1 ASN 207 HD21 -0.02 -0.02 -0.28 -0.04 7.03 6.67 1czfB1 ASN 207 HD22 -0.02 -0.03 -0.61 -0.04 7.74 7.04 1czfB1 SER 208 H -0.01 0.45 0.21 -0.55 8.46 8.57 1czfB1 SER 208 HA -0.00 0.16 0.32 -0.75 4.49 4.21 1czfB1 SER 208 HB2 -0.01 -0.02 0.12 -0.04 3.95 4.00 1czfB1 SER 208 HB3 -0.01 0.36 -0.08 -0.04 3.93 4.16 1czfB1 GLY 209 H -0.00 0.65 0.42 -0.55 8.43 8.95 1czfB1 GLY 209 HA2 0.01 -0.00 0.42 -0.51 4.01 3.92 1czfB1 GLY 209 HA3 0.01 0.18 0.92 -0.51 4.01 4.61 1czfB1 GLU 210 H 0.01 0.62 0.47 -0.55 8.60 9.16 1czfB1 GLU 210 HA 0.00 0.47 1.11 -0.75 4.29 5.12 1czfB1 GLU 210 HB2 0.01 -0.07 0.11 -0.04 2.09 2.09 1czfB1 GLU 210 HB3 0.00 0.03 0.12 -0.04 1.99 2.09 1czfB1 GLU 210 HG2 0.00 0.05 -0.11 -0.04 2.34 2.24 1czfB1 GLU 210 HG3 0.00 -0.08 -0.24 -0.04 2.34 1.98 1czfB1 ASN 211 H 0.00 0.51 0.47 -0.55 8.53 8.96 1czfB1 ASN 211 HA 0.01 0.16 0.54 -0.75 4.76 4.71 1czfB1 ASN 211 HB2 0.02 -0.08 0.23 -0.04 2.88 3.01 1czfB1 ASN 211 HB3 0.00 0.01 0.23 -0.04 2.79 2.99 1czfB1 ASN 211 HD21 -0.00 0.02 -0.03 -0.04 7.03 6.97 1czfB1 ASN 211 HD22 0.00 -0.01 -0.04 -0.04 7.74 7.65 1czfB1 ILE 212 H 0.03 0.56 0.30 -0.55 8.25 8.59 1czfB1 ILE 212 HA 0.09 0.17 0.99 -0.75 4.18 4.68 1czfB1 TRP 213 H 0.22 0.84 0.44 -0.55 7.97 8.93 1czfB1 TRP 213 HA -0.02 0.24 1.09 -0.75 4.62 5.18 1czfB1 TRP 213 HB2 -0.02 -0.01 -0.06 -0.04 3.23 3.10 1czfB1 TRP 213 HB3 -0.02 -0.02 0.24 -0.04 3.23 3.39 1czfB1 TRP 213 HD1 -0.02 0.14 0.07 -0.04 7.22 7.37 1czfB1 TRP 213 HE1 0.01 -0.02 -0.11 -0.04 10.20 10.04 1czfB1 TRP 213 HE3 -0.03 -0.01 -0.02 -0.04 7.59 7.49 1czfB1 TRP 213 HZ2 0.01 -0.00 -0.06 -0.04 7.44 7.34 1czfB1 TRP 213 HZ3 -0.03 0.01 -0.06 -0.04 7.13 7.02 1czfB1 TRP 213 HH2 -0.02 0.01 -0.05 -0.04 7.19 7.09 1czfB1 PHE 214 H 0.12 0.85 0.44 -0.55 8.34 9.20 1czfB1 PHE 214 HA -0.40 0.29 1.06 -0.75 4.62 4.82 1czfB1 PHE 214 HB2 -0.18 -0.03 -0.05 -0.04 3.15 2.84 1czfB1 PHE 214 HB3 -0.17 -0.06 0.25 -0.04 3.06 3.05 1czfB1 PHE 214 HD2 -0.23 -0.03 -0.13 -0.04 7.28 6.84 1czfB1 PHE 214 HE2 -0.14 -0.01 -0.12 -0.04 7.38 7.07 1czfB1 PHE 214 HZ -0.06 -0.02 -0.17 -0.04 7.32 7.03 1czfB1 THR 215 H -0.82 0.68 0.44 -0.55 8.28 8.03 1czfB1 THR 215 HA -0.12 0.41 1.11 -0.75 4.39 5.03 1czfB1 THR 215 HB -0.49 -0.02 -0.16 -0.04 4.32 3.62 1czfB1 THR 215 HG23 -0.99 -0.01 -0.01 -0.04 1.22 0.17 1czfB1 GLY 216 H 0.01 0.42 0.30 -0.55 8.43 8.62 1czfB1 GLY 216 HA2 -0.00 0.36 0.58 -0.51 4.01 4.44 1czfB1 GLY 216 HA3 -0.11 -0.09 0.54 -0.51 4.01 3.84 1czfB1 GLY 217 H -0.05 0.03 -0.18 -0.55 8.43 7.69 1czfB1 GLY 217 HA2 -0.14 0.36 0.52 -0.51 4.01 4.24 1czfB1 GLY 217 HA3 -0.01 -0.08 0.22 -0.51 4.01 3.63 1czfB1 THR 218 H -0.06 0.57 0.27 -0.55 8.28 8.51 1czfB1 THR 218 HA -0.11 0.17 0.98 -0.75 4.39 4.68 1czfB1 THR 218 HB -0.50 -0.08 0.35 -0.04 4.32 4.05 1czfB1 THR 218 HG23 -0.42 -0.01 -0.05 -0.04 1.22 0.70 1czfB1 CYS 219 H -0.12 0.83 0.31 -0.55 8.50 8.97 1czfB1 CYS 219 HA -0.19 0.15 1.06 -0.75 4.58 4.85 1czfB1 CYS 219 HB2 -0.07 0.02 0.17 -0.04 2.97 3.05 1czfB1 CYS 219 HB3 -0.08 -0.11 -0.00 -0.04 2.97 2.74 1czfB1 ILE 220 H -0.36 0.70 0.37 -0.55 8.25 8.41 1czfB1 ILE 220 HA -0.27 0.33 1.12 -0.75 4.18 4.60 1czfB1 ILE 220 HB -0.72 -0.03 0.28 -0.04 1.89 1.38 1czfB1 ILE 220 HG12 -0.29 -0.00 -0.09 -0.04 1.49 1.07 1czfB1 ILE 220 HG13 -0.50 -0.09 -0.35 -0.04 1.21 0.23 1czfB1 ILE 220 HG23 -0.67 0.01 -0.04 -0.04 0.93 0.19 1czfB1 ILE 220 HD13 -0.46 -0.00 -0.06 -0.04 0.88 0.32 1czfB1 GLY 221 H -0.21 0.54 0.22 -0.55 8.43 8.44 1czfB1 GLY 221 HA2 -0.08 0.33 0.62 -0.51 4.01 4.37 1czfB1 GLY 221 HA3 -0.07 -0.00 0.44 -0.51 4.01 3.87 1czfB1 GLY 222 H -0.09 0.01 -0.65 -0.55 8.43 7.16 1czfB1 GLY 222 HA2 -0.07 0.05 0.13 -0.51 4.01 3.61 1czfB1 GLY 222 HA3 -0.07 0.11 0.19 -0.51 4.01 3.74 1czfB1 HIS 223 H -0.00 0.36 -0.62 -0.55 8.41 7.60 1czfB1 HIS 223 HA -0.02 0.05 0.84 -0.75 4.63 4.75 1czfB1 HIS 223 HB2 -0.02 -0.11 -0.23 -0.04 3.26 2.86 1czfB1 HIS 223 HB3 -0.01 0.06 0.01 -0.04 3.20 3.21 1czfB1 HIS 223 HD2 -0.01 0.15 -0.67 -0.04 6.97 6.40 1czfB1 HIS 223 HE1 0.03 0.04 0.00 -0.04 7.75 7.77 1czfB1 GLY 224 H 0.01 0.00 -0.19 -0.55 8.43 7.70 1czfB1 GLY 224 HA2 -0.04 0.08 0.24 -0.51 4.01 3.79 1czfB1 GLY 224 HA3 -0.01 0.25 0.33 -0.51 4.01 4.07 1czfB1 LEU 225 H -0.05 0.82 0.16 -0.55 8.37 8.76 1czfB1 LEU 225 HA -0.18 -0.02 0.79 -0.75 4.35 4.19 1czfB1 LEU 225 HB2 0.08 0.12 0.27 -0.04 1.64 2.06 1czfB1 LEU 225 HB3 -0.12 -0.00 0.04 -0.04 1.64 1.52 1czfB1 LEU 225 HG -0.13 -0.12 -0.17 -0.04 1.64 1.17 1czfB1 LEU 225 HD13 -0.05 0.01 -0.12 -0.04 0.93 0.74 1czfB1 LEU 225 HD23 -0.73 -0.01 -0.11 -0.04 0.89 -0.00 1czfB1 SER 226 H -0.06 0.66 0.23 -0.55 8.46 8.74 1czfB1 SER 226 HA 0.02 0.42 1.13 -0.75 4.49 5.31 1czfB1 SER 226 HB2 -0.03 0.01 0.01 -0.04 3.95 3.90 1czfB1 SER 226 HB3 -0.03 0.02 -0.26 -0.04 3.93 3.62 1czfB1 ILE 227 H 0.01 0.68 0.39 -0.55 8.25 8.78 1czfB1 ILE 227 HA -0.02 0.07 0.87 -0.75 4.18 4.35 1czfB1 ILE 227 HB 0.02 -0.10 0.29 -0.04 1.89 2.06 1czfB1 ILE 227 HG12 0.13 0.07 -0.05 -0.04 1.49 1.60 1czfB1 ILE 227 HG13 0.03 -0.03 -0.04 -0.04 1.21 1.12 1czfB1 ILE 227 HG23 -0.01 0.00 -0.04 -0.04 0.93 0.84 1czfB1 ILE 227 HD13 -0.08 0.01 -0.15 -0.04 0.88 0.62 1czfB1 GLY 228 H -0.02 0.71 0.10 -0.55 8.43 8.67 1czfB1 GLY 228 HA2 -0.03 0.09 -0.12 -0.51 4.01 3.44 1czfB1 GLY 228 HA3 -0.05 0.23 0.91 -0.51 4.01 4.59 1czfB1 SER 229 H -0.07 0.05 -0.02 -0.55 8.46 7.88 1czfB1 SER 229 HA -0.09 0.21 0.37 -0.75 4.49 4.22 1czfB1 SER 229 HB2 -0.05 0.04 0.05 -0.04 3.95 3.94 1czfB1 SER 229 HB3 -0.05 0.02 -0.17 -0.04 3.93 3.69 1czfB1 VAL 230 H -0.02 0.54 0.33 -0.55 8.24 8.54 1czfB1 VAL 230 HA -0.01 0.24 0.87 -0.75 4.13 4.48 1czfB1 VAL 230 HB 0.01 -0.05 0.17 -0.04 2.12 2.21 1czfB1 VAL 230 HG13 0.01 -0.00 -0.18 -0.04 0.97 0.76 1czfB1 VAL 230 HG23 -0.01 0.03 -0.08 -0.04 0.95 0.85 1czfB1 GLY 231 H 0.00 0.25 0.20 -0.55 8.43 8.33 1czfB1 GLY 231 HA2 0.01 0.08 0.36 -0.51 4.01 3.95 1czfB1 GLY 231 HA3 0.02 0.13 0.87 -0.51 4.01 4.52 1czfB1 ASP 232 H 0.01 0.15 0.15 -0.55 8.40 8.16 1czfB1 ASP 232 HA 0.01 0.04 0.33 -0.75 4.63 4.26 1czfB1 ASP 232 HB2 0.02 -0.05 -0.16 -0.04 2.71 2.48 1czfB1 ASP 232 HB3 0.01 0.17 -0.05 -0.04 2.70 2.79 1czfB1 ARG 233 H 0.00 0.00 -0.58 -0.55 8.46 7.33 1czfB1 ARG 233 HA -0.00 0.21 0.80 -0.75 4.34 4.60 1czfB1 ARG 233 HB2 -0.01 0.16 -0.01 -0.04 1.90 2.00 1czfB1 ARG 233 HB3 -0.01 -0.14 0.14 -0.04 1.80 1.74 1czfB1 ARG 233 HG2 -0.01 0.01 -0.05 -0.04 1.67 1.58 1czfB1 ARG 233 HG3 -0.00 0.19 -0.08 -0.04 1.67 1.74 1czfB1 ARG 233 HD2 -0.01 0.08 0.05 -0.04 3.22 3.30 1czfB1 ARG 233 HD3 -0.02 -0.07 0.01 -0.04 3.22 3.10 1czfB1 SER 234 H -0.01 0.16 0.12 -0.55 8.46 8.18 1czfB1 SER 234 HA -0.00 0.11 0.40 -0.75 4.49 4.24 1czfB1 SER 234 HB2 -0.01 0.02 0.07 -0.04 3.95 3.99 1czfB1 SER 234 HB3 -0.01 0.04 0.11 -0.04 3.93 4.03 1czfB1 ASN 235 H -0.01 0.09 -0.26 -0.55 8.53 7.80 1czfB1 ASN 235 HA -0.00 0.19 0.92 -0.75 4.76 5.11 1czfB1 ASN 235 HB2 -0.01 0.04 -0.06 -0.04 2.88 2.80 1czfB1 ASN 235 HB3 -0.01 -0.03 0.13 -0.04 2.79 2.83 1czfB1 ASN 235 HD21 -0.00 0.04 0.01 -0.04 7.03 7.03 1czfB1 ASN 235 HD22 -0.01 -0.01 0.02 -0.04 7.74 7.69 1czfB1 ASN 236 H 0.00 0.22 0.06 -0.55 8.53 8.26 1czfB1 ASN 236 HA 0.00 0.24 0.93 -0.75 4.76 5.18 1czfB1 ASN 236 HB2 0.01 0.06 0.22 -0.04 2.88 3.12 1czfB1 ASN 236 HB3 0.01 -0.01 0.26 -0.04 2.79 3.01 1czfB1 ASN 236 HD21 0.00 0.07 -0.04 -0.04 7.03 7.03 1czfB1 ASN 236 HD22 0.01 0.06 0.02 -0.04 7.74 7.79 1czfB1 VAL 237 H 0.00 0.11 -0.04 -0.55 8.24 7.76 1czfB1 VAL 237 HA 0.01 0.32 1.14 -0.75 4.13 4.84 1czfB1 VAL 237 HB 0.00 -0.08 0.14 -0.04 2.12 2.15 1czfB1 VAL 237 HG13 0.01 0.01 -0.17 -0.04 0.97 0.77 1czfB1 VAL 237 HG23 0.01 -0.01 -0.05 -0.04 0.95 0.85 1czfB1 VAL 238 H 0.01 0.84 0.40 -0.55 8.24 8.94 1czfB1 VAL 238 HA -0.00 0.20 0.90 -0.75 4.13 4.48 1czfB1 VAL 238 HB -0.00 -0.05 0.21 -0.04 2.12 2.24 1czfB1 VAL 238 HG13 -0.01 -0.01 -0.19 -0.04 0.97 0.72 1czfB1 VAL 238 HG23 -0.00 -0.02 -0.33 -0.04 0.95 0.56 1czfB1 LYS 239 H -0.00 0.71 0.32 -0.55 8.42 8.90 1czfB1 LYS 239 HA -0.00 0.28 1.02 -0.75 4.32 4.87 1czfB1 LYS 239 HB2 0.00 0.01 -0.22 -0.04 1.87 1.63 1czfB1 LYS 239 HB3 0.00 -0.04 0.05 -0.04 1.79 1.76 1czfB1 LYS 239 HG2 -0.00 0.02 -0.22 -0.04 1.46 1.22 1czfB1 LYS 239 HG3 0.00 -0.01 -0.03 -0.04 1.46 1.38 1czfB1 LYS 239 HD2 0.01 0.00 -0.06 -0.04 1.69 1.59 1czfB1 LYS 239 HD3 0.00 -0.03 -0.06 -0.04 1.68 1.56 1czfB1 LYS 239 HE2 0.00 -0.00 -0.05 -0.04 2.99 2.90 1czfB1 LYS 239 HE3 0.00 0.01 -0.04 -0.04 2.99 2.92 1czfB1 ASN 240 H -0.01 0.56 0.31 -0.55 8.53 8.84 1czfB1 ASN 240 HA -0.02 0.36 0.63 -0.75 4.76 4.97 1czfB1 ASN 240 HB2 -0.01 -0.01 -0.02 -0.04 2.88 2.80 1czfB1 ASN 240 HB3 -0.01 -0.12 0.29 -0.04 2.79 2.91 1czfB1 ASN 240 HD21 -0.04 0.03 0.04 -0.04 7.03 7.01 1czfB1 ASN 240 HD22 -0.02 -0.03 0.08 -0.04 7.74 7.73 1czfB1 VAL 241 H -0.05 0.56 0.32 -0.55 8.24 8.52 1czfB1 VAL 241 HA -0.00 0.27 1.06 -0.75 4.13 4.71 1czfB1 VAL 241 HB -0.10 -0.06 0.07 -0.04 2.12 1.98 1czfB1 VAL 241 HG13 -0.11 -0.01 -0.20 -0.04 0.97 0.61 1czfB1 VAL 241 HG23 -0.03 -0.02 -0.31 -0.04 0.95 0.55 1czfB1 THR 242 H 0.07 0.76 0.39 -0.55 8.28 8.95 1czfB1 THR 242 HA -0.08 0.19 1.10 -0.75 4.39 4.85 1czfB1 THR 242 HB 0.20 -0.02 0.22 -0.04 4.32 4.67 1czfB1 THR 242 HG23 0.11 -0.01 -0.13 -0.04 1.22 1.15 1czfB1 ILE 243 H -0.23 0.91 0.40 -0.55 8.25 8.78 1czfB1 ILE 243 HA 0.04 0.26 1.04 -0.75 4.18 4.76 1czfB1 ILE 243 HB -0.72 -0.00 0.22 -0.04 1.89 1.35 1czfB1 ILE 243 HG12 -0.26 -0.00 -0.09 -0.04 1.49 1.09 1czfB1 ILE 243 HG13 -0.29 -0.09 -0.48 -0.04 1.21 0.31 1czfB1 ILE 243 HG23 -0.15 -0.01 -0.06 -0.04 0.93 0.66 1czfB1 ILE 243 HD13 -0.54 -0.01 -0.18 -0.04 0.88 0.11 1czfB1 GLU 244 H 0.08 0.73 0.46 -0.55 8.60 9.32 1czfB1 GLU 244 HA -0.07 0.26 0.95 -0.75 4.29 4.67 1czfB1 GLU 244 HB2 -0.38 0.02 0.14 -0.04 2.09 1.83 1czfB1 GLU 244 HB3 -0.04 -0.06 -0.16 -0.04 1.99 1.69 1czfB1 GLU 244 HG2 0.24 0.06 -0.05 -0.04 2.34 2.55 1czfB1 GLU 244 HG3 0.24 -0.05 -0.14 -0.04 2.34 2.35 1czfB1 HIS 245 H -0.38 0.51 0.43 -0.55 8.41 8.42 1czfB1 HIS 245 HA 0.02 0.19 0.56 -0.75 4.63 4.65 1czfB1 HIS 245 HB2 -0.00 -0.14 0.20 -0.04 3.26 3.27 1czfB1 HIS 245 HB3 0.00 0.02 0.33 -0.04 3.20 3.51 1czfB1 HIS 245 HD2 0.11 -0.02 -0.07 -0.04 6.97 6.94 1czfB1 HIS 245 HE1 0.03 -0.01 0.02 -0.04 7.75 7.74 1czfB1 SER 246 H 0.03 0.30 0.02 -0.55 8.46 8.26 1czfB1 SER 246 HA 0.06 0.34 0.99 -0.75 4.49 5.13 1czfB1 SER 246 HB2 0.10 -0.05 -0.09 -0.04 3.95 3.87 1czfB1 SER 246 HB3 0.17 0.02 -0.06 -0.04 3.93 4.01 1czfB1 THR 247 H 0.02 0.70 0.35 -0.55 8.28 8.79 1czfB1 THR 247 HA -0.01 0.29 1.13 -0.75 4.39 5.04 1czfB1 THR 247 HB -0.02 -0.03 0.18 -0.04 4.32 4.40 1czfB1 THR 247 HG23 -0.02 -0.01 -0.10 -0.04 1.22 1.04 1czfB1 VAL 248 H -0.03 0.72 0.43 -0.55 8.24 8.81 1czfB1 VAL 248 HA -0.08 0.28 1.08 -0.75 4.13 4.66 1czfB1 VAL 248 HB -0.05 -0.05 0.16 -0.04 2.12 2.15 1czfB1 VAL 248 HG13 -0.05 0.01 -0.10 -0.04 0.97 0.79 1czfB1 VAL 248 HG23 -0.04 -0.00 -0.11 -0.04 0.95 0.76 1czfB1 SER 249 H -0.12 0.79 0.41 -0.55 8.46 8.99 1czfB1 SER 249 HA -0.06 0.29 1.03 -0.75 4.49 5.00 1czfB1 SER 249 HB2 -0.15 -0.03 0.06 -0.04 3.95 3.79 1czfB1 SER 249 HB3 -0.08 -0.01 -0.02 -0.04 3.93 3.77 1czfB1 ASN 250 H -0.06 0.32 0.21 -0.55 8.53 8.46 1czfB1 ASN 250 HA -0.04 0.39 0.50 -0.75 4.76 4.85 1czfB1 ASN 250 HB2 -0.11 -0.06 -0.05 -0.04 2.88 2.62 1czfB1 ASN 250 HB3 -0.05 0.05 0.24 -0.04 2.79 2.99 1czfB1 ASN 250 HD21 -0.03 0.01 -0.03 -0.04 7.03 6.94 1czfB1 ASN 250 HD22 -0.08 -0.01 -0.06 -0.04 7.74 7.56 1czfB1 SER 251 H -0.04 0.15 -0.23 -0.55 8.46 7.79 1czfB1 SER 251 HA -0.01 0.38 0.70 -0.75 4.49 4.81 1czfB1 SER 251 HB2 -0.03 -0.00 -0.34 -0.04 3.95 3.53 1czfB1 SER 251 HB3 0.00 -0.09 -0.33 -0.04 3.93 3.47 1czfB1 GLU 252 H 0.06 0.67 0.25 -0.55 8.60 9.04 1czfB1 GLU 252 HA -0.05 -0.04 0.45 -0.75 4.29 3.89 1czfB1 GLU 252 HB2 -0.12 0.11 0.06 -0.04 2.09 2.10 1czfB1 GLU 252 HB3 -0.13 -0.06 0.13 -0.04 1.99 1.89 1czfB1 GLU 252 HG2 -0.08 -0.04 -0.25 -0.04 2.34 1.93 1czfB1 GLU 252 HG3 -0.13 -0.00 -0.02 -0.04 2.34 2.15 1czfB1 ASN 253 H 0.01 0.15 -0.26 -0.55 8.53 7.89 1czfB1 ASN 253 HA 0.03 0.36 0.69 -0.75 4.76 5.09 1czfB1 ASN 253 HB2 0.01 0.14 -0.32 -0.04 2.88 2.67 1czfB1 ASN 253 HB3 0.04 0.07 -0.17 -0.04 2.79 2.69 1czfB1 ASN 253 HD21 -0.04 -0.03 -0.17 -0.04 7.03 6.75 1czfB1 ASN 253 HD22 0.02 0.43 -0.04 -0.04 7.74 8.11 1czfB1 ALA 254 H -0.02 0.50 0.13 -0.55 8.40 8.46 1czfB1 ALA 254 HA -0.05 0.05 0.82 -0.75 4.34 4.40 1czfB1 ALA 254 HB3 -0.06 0.07 0.07 -0.04 1.41 1.45 1czfB1 VAL 255 H -0.13 0.77 0.37 -0.55 8.24 8.70 1czfB1 VAL 255 HA -0.35 0.22 0.92 -0.75 4.13 4.17 1czfB1 VAL 255 HB -0.35 -0.02 0.22 -0.04 2.12 1.93 1czfB1 VAL 255 HG13 -1.33 -0.00 -0.15 -0.04 0.97 -0.55 1czfB1 VAL 255 HG23 -0.34 -0.00 -0.08 -0.04 0.95 0.48 1czfB1 ARG 256 H -0.18 0.57 0.25 -0.55 8.46 8.55 1czfB1 ARG 256 HA -0.13 0.38 0.98 -0.75 4.34 4.82 1czfB1 ARG 256 HB2 -0.04 0.02 -0.32 -0.04 1.90 1.52 1czfB1 ARG 256 HB3 -0.04 -0.02 -0.27 -0.04 1.80 1.44 1czfB1 ARG 256 HG2 -0.06 0.02 -0.57 -0.04 1.67 1.02 1czfB1 ARG 256 HG3 -0.04 -0.01 -0.20 -0.04 1.67 1.38 1czfB1 ARG 256 HD2 -0.02 0.02 -0.27 -0.04 3.22 2.91 1czfB1 ARG 256 HD3 -0.06 -0.03 -0.30 -0.04 3.22 2.78 1czfB1 ILE 257 H -0.07 0.70 0.39 -0.55 8.25 8.71 1czfB1 ILE 257 HA -0.01 0.20 0.99 -0.75 4.18 4.60 1czfB1 ILE 257 HB -0.04 -0.09 0.20 -0.04 1.89 1.92 1czfB1 ILE 257 HG12 0.06 0.06 -0.02 -0.04 1.49 1.55 1czfB1 ILE 257 HG13 -0.06 -0.06 -0.33 -0.04 1.21 0.73 1czfB1 ILE 257 HG23 0.00 0.00 -0.13 -0.04 0.93 0.76 1czfB1 ILE 257 HD13 -0.06 -0.00 -0.10 -0.04 0.88 0.68 1czfB1 LYS 258 H -0.05 0.76 0.28 -0.55 8.42 8.86 1czfB1 LYS 258 HA 0.02 0.32 1.04 -0.75 4.32 4.95 1czfB1 LYS 258 HB2 -0.28 -0.02 0.01 -0.04 1.87 1.54 1czfB1 LYS 258 HB3 -0.11 0.00 -0.11 -0.04 1.79 1.52 1czfB1 LYS 258 HG2 -0.15 0.07 -0.14 -0.04 1.46 1.19 1czfB1 LYS 258 HG3 -0.22 -0.13 -0.02 -0.04 1.46 1.04 1czfB1 LYS 258 HD2 -1.21 -0.02 -0.16 -0.04 1.69 0.27 1czfB1 LYS 258 HD3 -0.42 0.02 -0.18 -0.04 1.68 1.06 1czfB1 LYS 258 HE2 -0.16 0.03 -0.26 -0.04 2.99 2.57 1czfB1 LYS 258 HE3 -0.25 -0.09 -0.19 -0.04 2.99 2.42 1czfB1 THR 259 H 0.08 0.59 0.39 -0.55 8.28 8.78 1czfB1 THR 259 HA 0.02 0.14 0.96 -0.75 4.39 4.76 1czfB1 THR 259 HB 0.04 0.09 0.05 -0.04 4.32 4.46 1czfB1 THR 259 HG23 0.04 0.01 -0.24 -0.04 1.22 0.98 1czfB1 ILE 260 H 0.04 0.65 0.18 -0.55 8.25 8.56 1czfB1 ILE 260 HA 0.13 0.07 0.56 -0.75 4.18 4.18 1czfB1 ILE 260 HB 0.04 -0.09 0.05 -0.04 1.89 1.85 1czfB1 ILE 260 HG12 0.02 0.07 -0.35 -0.04 1.49 1.19 1czfB1 ILE 260 HG13 0.03 0.09 -0.28 -0.04 1.21 1.00 1czfB1 ILE 260 HG23 0.05 0.08 -0.11 -0.04 0.93 0.92 1czfB1 ILE 260 HD13 0.06 -0.04 -0.21 -0.04 0.88 0.65 1czfB1 SER 261 H 0.09 0.58 0.10 -0.55 8.46 8.68 1czfB1 SER 261 HA 0.04 0.04 0.47 -0.75 4.49 4.28 1czfB1 SER 261 HB2 0.03 -0.08 -0.24 -0.04 3.95 3.61 1czfB1 SER 261 HB3 0.03 0.01 -0.11 -0.04 3.93 3.82 1czfB1 GLY 262 H 0.02 0.06 0.24 -0.55 8.43 8.21 1czfB1 GLY 262 HA2 0.01 -0.04 0.37 -0.51 4.01 3.85 1czfB1 GLY 262 HA3 0.02 0.12 0.46 -0.51 4.01 4.09 1czfB1 ALA 263 H 0.03 0.51 -0.43 -0.55 8.40 7.96 1czfB1 ALA 263 HA 0.02 0.07 0.55 -0.75 4.34 4.22 1czfB1 ALA 263 HB3 0.02 -0.00 0.10 -0.04 1.41 1.49 1czfB1 THR 264 H 0.01 0.14 0.22 -0.55 8.28 8.11 1czfB1 THR 264 HA 0.02 0.25 0.58 -0.75 4.39 4.48 1czfB1 THR 264 HB 0.01 0.05 0.14 -0.04 4.32 4.49 1czfB1 THR 264 HG23 0.01 0.01 -0.07 -0.04 1.22 1.13 1czfB1 GLY 265 H 0.02 0.58 0.35 -0.55 8.43 8.83 1czfB1 GLY 265 HA2 0.01 -0.03 0.35 -0.51 4.01 3.83 1czfB1 GLY 265 HA3 0.01 0.20 0.74 -0.51 4.01 4.45 1czfB1 SER 266 H 0.02 0.62 0.38 -0.55 8.46 8.93 1czfB1 SER 266 HA 0.03 0.15 0.97 -0.75 4.49 4.88 1czfB1 SER 266 HB2 0.02 0.08 -0.16 -0.04 3.95 3.85 1czfB1 SER 266 HB3 0.02 -0.08 0.05 -0.04 3.93 3.88 1czfB1 VAL 267 H 0.04 0.84 0.34 -0.55 8.24 8.91 1czfB1 VAL 267 HA 0.01 0.33 0.95 -0.75 4.13 4.67 1czfB1 VAL 267 HB 0.01 -0.01 0.15 -0.04 2.12 2.22 1czfB1 VAL 267 HG13 0.03 0.04 -0.11 -0.04 0.97 0.89 1czfB1 VAL 267 HG23 0.01 -0.03 -0.07 -0.04 0.95 0.82 1czfB1 SER 268 H 0.01 0.63 0.34 -0.55 8.46 8.90 1czfB1 SER 268 HA 0.03 0.45 0.74 -0.75 4.49 4.96 1czfB1 SER 268 HB2 0.04 -0.02 0.10 -0.04 3.95 4.02 1czfB1 SER 268 HB3 0.04 0.01 -0.13 -0.04 3.93 3.80 1czfB1 GLU 269 H 0.02 0.37 0.32 -0.55 8.60 8.76 1czfB1 GLU 269 HA -0.01 0.17 0.50 -0.75 4.29 4.20 1czfB1 GLU 269 HB2 -0.01 -0.20 0.18 -0.04 2.09 2.02 1czfB1 GLU 269 HB3 -0.02 0.02 0.26 -0.04 1.99 2.22 1czfB1 GLU 269 HG2 0.01 0.05 0.07 -0.04 2.34 2.43 1czfB1 GLU 269 HG3 0.01 -0.04 -0.05 -0.04 2.34 2.23 1czfB1 ILE 270 H -0.05 0.43 0.14 -0.55 8.25 8.22 1czfB1 ILE 270 HA -0.09 0.23 0.95 -0.75 4.18 4.51 1czfB1 ILE 270 HB -0.08 -0.08 0.08 -0.04 1.89 1.76 1czfB1 ILE 270 HG12 -0.04 -0.04 -0.38 -0.04 1.49 0.99 1czfB1 ILE 270 HG13 -0.03 -0.02 -0.15 -0.04 1.21 0.97 1czfB1 ILE 270 HG23 -0.08 -0.00 -0.15 -0.04 0.93 0.66 1czfB1 ILE 270 HD13 -0.04 -0.00 -0.23 -0.04 0.88 0.56 1czfB1 THR 271 H -0.16 0.74 0.45 -0.55 8.28 8.76 1czfB1 THR 271 HA -0.05 0.29 1.20 -0.75 4.39 5.07 1czfB1 THR 271 HB -0.06 -0.06 0.18 -0.04 4.32 4.34 1czfB1 THR 271 HG23 -0.04 -0.01 -0.19 -0.04 1.22 0.93 1czfB1 TYR 272 H 0.05 0.75 0.39 -0.55 8.29 8.93 1czfB1 TYR 272 HA -0.09 0.38 1.02 -0.75 4.56 5.12 1czfB1 TYR 272 HB2 -0.19 -0.05 0.23 -0.04 3.06 3.01 1czfB1 TYR 272 HB3 -0.15 -0.02 0.06 -0.04 2.98 2.83 1czfB1 TYR 272 HD2 -0.15 0.01 -0.09 -0.04 7.15 6.88 1czfB1 TYR 272 HE2 -0.14 0.02 -0.05 -0.04 6.85 6.64 1czfB1 SER 273 H -0.05 0.64 0.34 -0.55 8.46 8.85 1czfB1 SER 273 HA -0.08 0.36 1.08 -0.75 4.49 5.10 1czfB1 SER 273 HB2 -0.06 -0.02 -0.14 -0.04 3.95 3.69 1czfB1 SER 273 HB3 -0.10 -0.03 0.05 -0.04 3.93 3.80 1czfB1 ASN 274 H -0.09 0.67 0.40 -0.55 8.53 8.97 1czfB1 ASN 274 HA -0.05 0.20 0.58 -0.75 4.76 4.73 1czfB1 ASN 274 HB2 -0.46 -0.05 -0.03 -0.04 2.88 2.30 1czfB1 ASN 274 HB3 -0.01 -0.02 0.33 -0.04 2.79 3.05 1czfB1 ASN 274 HD21 0.03 0.00 -0.02 -0.04 7.03 7.00 1czfB1 ASN 274 HD22 -0.15 -0.04 -0.12 -0.04 7.74 7.38 1czfB1 ILE 275 H -0.06 0.44 0.27 -0.55 8.25 8.35 1czfB1 ILE 275 HA -0.01 0.32 1.00 -0.75 4.18 4.74 1czfB1 ILE 275 HB -0.06 -0.10 0.12 -0.04 1.89 1.81 1czfB1 ILE 275 HG12 0.00 -0.08 -0.36 -0.04 1.49 1.02 1czfB1 ILE 275 HG13 0.12 -0.03 -0.09 -0.04 1.21 1.17 1czfB1 ILE 275 HG23 -0.03 0.00 -0.18 -0.04 0.93 0.69 1czfB1 ILE 275 HD13 0.03 0.03 -0.22 -0.04 0.88 0.69 1czfB1 VAL 276 H -0.01 0.54 0.39 -0.55 8.24 8.61 1czfB1 VAL 276 HA -0.03 0.31 1.01 -0.75 4.13 4.67 1czfB1 VAL 276 HB -0.00 -0.02 0.12 -0.04 2.12 2.18 1czfB1 VAL 276 HG13 -0.01 -0.01 -0.09 -0.04 0.97 0.82 1czfB1 VAL 276 HG23 0.00 -0.01 -0.14 -0.04 0.95 0.76 1czfB1 MET 277 H -0.03 0.49 0.52 -0.55 8.47 8.91 1czfB1 MET 277 HA -0.04 0.40 1.17 -0.75 4.52 5.30 1czfB1 MET 277 HB2 -0.04 -0.02 0.02 -0.04 2.15 2.08 1czfB1 MET 277 HB3 -0.04 -0.04 -0.15 -0.04 2.03 1.75 1czfB1 MET 277 HG2 -0.03 0.10 -0.12 -0.04 2.63 2.54 1czfB1 MET 277 HG3 -0.03 0.17 -0.37 -0.04 2.56 2.29 1czfB1 MET 277 HE3 -0.08 0.01 -0.26 -0.04 2.10 1.73 1czfB1 SER 278 H -0.04 0.56 0.37 -0.55 8.46 8.81 1czfB1 SER 278 HA -0.02 0.19 0.59 -0.75 4.49 4.50 1czfB1 SER 278 HB2 -0.02 -0.05 0.12 -0.04 3.95 3.96 1czfB1 SER 278 HB3 -0.02 0.10 0.08 -0.04 3.93 4.05 1czfB1 GLY 279 H -0.02 0.18 0.01 -0.55 8.43 8.06 1czfB1 GLY 279 HA2 -0.03 0.06 0.26 -0.51 4.01 3.80 1czfB1 GLY 279 HA3 -0.03 0.00 0.42 -0.51 4.01 3.90 1czfB1 ILE 280 H -0.03 0.12 -0.25 -0.55 8.25 7.54 1czfB1 ILE 280 HA -0.03 0.37 0.53 -0.75 4.18 4.30 1czfB1 ILE 280 HB -0.03 -0.09 -0.06 -0.04 1.89 1.68 1czfB1 ILE 280 HG12 -0.03 0.03 -0.21 -0.04 1.49 1.23 1czfB1 ILE 280 HG13 -0.03 0.01 -0.22 -0.04 1.21 0.93 1czfB1 ILE 280 HG23 -0.02 -0.01 -0.63 -0.04 0.93 0.24 1czfB1 ILE 280 HD13 -0.04 0.00 -0.42 -0.04 0.88 0.38 1czfB1 SER 281 H -0.04 0.63 0.19 -0.55 8.46 8.69 1czfB1 SER 281 HA -0.06 -0.01 0.47 -0.75 4.49 4.14 1czfB1 SER 281 HB2 -0.06 0.01 -0.04 -0.04 3.95 3.82 1czfB1 SER 281 HB3 -0.04 0.02 -0.07 -0.04 3.93 3.80 1czfB1 ASP 282 H -0.09 0.44 0.09 -0.55 8.40 8.29 1czfB1 ASP 282 HA -0.29 0.28 1.11 -0.75 4.63 4.97 1czfB1 ASP 282 HB2 -0.09 0.16 0.12 -0.04 2.71 2.85 1czfB1 ASP 282 HB3 -0.41 -0.05 -0.07 -0.04 2.70 2.13 1czfB1 TYR 283 H 0.02 0.49 0.23 -0.55 8.29 8.47 1czfB1 TYR 283 HA -0.01 0.44 0.88 -0.75 4.56 5.12 1czfB1 TYR 283 HB2 0.01 -0.06 -0.12 -0.04 3.06 2.85 1czfB1 TYR 283 HB3 0.04 0.04 -0.41 -0.04 2.98 2.61 1czfB1 TYR 283 HD2 0.03 -0.01 -0.19 -0.04 7.15 6.95 1czfB1 TYR 283 HE2 -0.15 -0.02 -0.12 -0.04 6.85 6.52 1czfB1 GLY 284 H 0.09 0.59 0.19 -0.55 8.43 8.76 1czfB1 GLY 284 HA2 0.00 -0.06 0.40 -0.51 4.01 3.84 1czfB1 GLY 284 HA3 0.01 0.10 0.32 -0.51 4.01 3.93 1czfB1 VAL 285 H 0.07 0.59 0.24 -0.55 8.24 8.59 1czfB1 VAL 285 HA -0.11 0.25 0.96 -0.75 4.13 4.48 1czfB1 VAL 285 HB 0.06 -0.06 0.12 -0.04 2.12 2.20 1czfB1 VAL 285 HG13 -0.04 -0.01 -0.19 -0.04 0.97 0.69 1czfB1 VAL 285 HG23 -0.16 -0.01 -0.19 -0.04 0.95 0.55 1czfB1 VAL 286 H -0.09 0.70 0.24 -0.55 8.24 8.54 1czfB1 VAL 286 HA -0.07 0.29 0.89 -0.75 4.13 4.48 1czfB1 VAL 286 HB -0.43 -0.00 -0.15 -0.04 2.12 1.50 1czfB1 VAL 286 HG13 -0.06 0.00 -0.06 -0.04 0.97 0.81 1czfB1 VAL 286 HG23 -0.30 -0.01 -0.18 -0.04 0.95 0.42 1czfB1 ILE 287 H -0.09 0.67 0.27 -0.55 8.25 8.56 1czfB1 ILE 287 HA -0.03 0.29 0.95 -0.75 4.18 4.64 1czfB1 ILE 287 HB 0.14 -0.08 0.16 -0.04 1.89 2.07 1czfB1 ILE 287 HG12 -0.10 0.04 -0.06 -0.04 1.49 1.33 1czfB1 ILE 287 HG13 -0.03 -0.08 -0.45 -0.04 1.21 0.61 1czfB1 ILE 287 HG23 0.13 -0.00 -0.12 -0.04 0.93 0.90 1czfB1 ILE 287 HD13 -0.26 -0.00 -0.12 -0.04 0.88 0.45 1czfB1 GLN 288 H 0.01 0.64 0.33 -0.55 8.47 8.90 1czfB1 GLN 288 HA -0.06 0.32 0.86 -0.75 4.36 4.72 1czfB1 GLN 288 HB2 -0.03 -0.07 0.10 -0.04 2.15 2.11 1czfB1 GLN 288 HB3 -0.20 0.03 -0.13 -0.04 2.02 1.68 1czfB1 GLN 288 HG2 0.11 0.06 -0.04 -0.04 2.40 2.49 1czfB1 GLN 288 HG3 0.30 -0.10 -0.11 -0.04 2.39 2.43 1czfB1 GLN 288 HE21 0.14 0.07 -0.09 -0.04 6.97 7.05 1czfB1 GLN 288 HE22 0.05 -0.10 -0.08 -0.04 7.69 7.52 1czfB1 GLN 289 H 0.01 0.46 0.22 -0.55 8.47 8.61 1czfB1 GLN 289 HA 0.08 0.19 0.99 -0.75 4.36 4.86 1czfB1 GLN 289 HB2 0.03 -0.00 0.17 -0.04 2.15 2.31 1czfB1 GLN 289 HB3 0.05 0.04 0.17 -0.04 2.02 2.24 1czfB1 GLN 289 HG2 0.07 0.02 -0.36 -0.04 2.40 2.08 1czfB1 GLN 289 HG3 0.05 0.09 -0.05 -0.04 2.39 2.43 1czfB1 GLN 289 HE21 0.06 0.68 0.03 -0.04 6.97 7.70 1czfB1 GLN 289 HE22 0.06 -0.11 -0.09 -0.04 7.69 7.50 1czfB1 ASP 290 H 0.07 0.11 -0.13 -0.55 8.40 7.91 1czfB1 ASP 290 HA 0.02 0.30 0.90 -0.75 4.63 5.10 1czfB1 ASP 290 HB2 -0.03 -0.15 0.05 -0.04 2.71 2.55 1czfB1 ASP 290 HB3 -0.00 0.10 -0.48 -0.04 2.70 2.27 1czfB1 TYR 291 H 0.20 0.45 -0.05 -0.55 8.29 8.34 1czfB1 TYR 291 HA 0.02 0.16 0.40 -0.75 4.56 4.39 1czfB1 TYR 291 HB2 0.01 0.16 -0.13 -0.04 3.06 3.06 1czfB1 TYR 291 HB3 0.02 -0.04 -0.22 -0.04 2.98 2.69 1czfB1 TYR 291 HD2 0.02 -0.08 -0.31 -0.04 7.15 6.74 1czfB1 TYR 291 HE2 0.02 0.13 -0.20 -0.04 6.85 6.76 1czfB1 GLU 292 H -0.02 0.78 0.20 -0.55 8.60 9.01 1czfB1 GLU 292 HA 0.06 0.11 0.94 -0.75 4.29 4.65 1czfB1 GLU 292 HB2 0.02 -0.04 -0.12 -0.04 2.09 1.90 1czfB1 GLU 292 HB3 -0.00 0.10 0.13 -0.04 1.99 2.18 1czfB1 GLU 292 HG2 0.02 0.02 -0.14 -0.04 2.34 2.20 1czfB1 GLU 292 HG3 0.03 -0.01 0.03 -0.04 2.34 2.35 1czfB1 ASP 293 H 0.06 0.19 0.09 -0.55 8.40 8.19 1czfB1 ASP 293 HA 0.05 0.05 0.29 -0.75 4.63 4.27 1czfB1 ASP 293 HB2 0.03 0.21 -0.04 -0.04 2.71 2.87 1czfB1 ASP 293 HB3 0.03 0.03 0.19 -0.04 2.70 2.91 1czfB1 GLY 294 H 0.14 -0.00 -0.37 -0.55 8.43 7.65 1czfB1 GLY 294 HA2 0.21 -0.05 0.14 -0.51 4.01 3.80 1czfB1 GLY 294 HA3 0.11 0.15 0.42 -0.51 4.01 4.18 1czfB1 LYS 295 H 0.07 0.33 -0.47 -0.55 8.42 7.79 1czfB1 LYS 295 HA -0.03 0.18 0.83 -0.75 4.32 4.55 1czfB1 LYS 295 HB2 -0.02 0.05 -0.01 -0.04 1.87 1.85 1czfB1 LYS 295 HB3 -0.04 0.04 -0.01 -0.04 1.79 1.75 1czfB1 LYS 295 HG2 0.03 0.04 -0.18 -0.04 1.46 1.31 1czfB1 LYS 295 HG3 0.04 0.02 -0.49 -0.04 1.46 0.99 1czfB1 LYS 295 HD2 0.00 -0.00 -0.05 -0.04 1.69 1.60 1czfB1 LYS 295 HD3 -0.00 -0.02 -0.05 -0.04 1.68 1.57 1czfB1 LYS 295 HE2 0.01 -0.01 -0.05 -0.04 2.99 2.90 1czfB1 LYS 295 HE3 0.02 0.06 -0.04 -0.04 2.99 3.00 1czfB1 PRO 296 HA -0.43 0.10 0.37 -0.51 4.44 3.97 1czfB1 PRO 296 HB2 -0.11 0.01 -0.08 -0.04 2.28 2.05 1czfB1 PRO 296 HB3 -0.39 -0.05 -0.03 -0.04 2.02 1.51 1czfB1 PRO 296 HG2 -0.10 0.08 0.05 -0.04 2.03 2.02 1czfB1 PRO 296 HG3 -0.08 0.04 -0.00 -0.04 2.03 1.95 1czfB1 PRO 296 HD2 -0.13 0.17 0.20 -0.04 3.68 3.89 1czfB1 PRO 296 HD3 -0.62 0.10 0.02 -0.04 3.65 3.11 1czfB1 THR 297 H -0.10 0.25 0.31 -0.55 8.28 8.19 1czfB1 THR 297 HA -0.04 0.28 0.91 -0.75 4.39 4.78 1czfB1 THR 297 HB -0.02 0.02 0.12 -0.04 4.32 4.40 1czfB1 THR 297 HG23 -0.03 0.05 0.04 -0.04 1.22 1.24 1czfB1 GLY 298 H -0.02 -0.02 0.04 -0.55 8.43 7.88 1czfB1 GLY 298 HA2 0.06 -0.01 0.27 -0.51 4.01 3.81 1czfB1 GLY 298 HA3 0.02 0.20 0.53 -0.51 4.01 4.26 1czfB1 LYS 299 H -0.00 0.00 -0.44 -0.55 8.42 7.43 1czfB1 LYS 299 HA 0.00 0.25 0.80 -0.75 4.32 4.63 1czfB1 LYS 299 HB2 -0.00 -0.06 0.08 -0.04 1.87 1.84 1czfB1 LYS 299 HB3 -0.00 0.02 -0.00 -0.04 1.79 1.77 1czfB1 LYS 299 HG2 0.00 0.06 -0.08 -0.04 1.46 1.40 1czfB1 LYS 299 HG3 0.00 0.07 -0.21 -0.04 1.46 1.28 1czfB1 LYS 299 HD2 -0.00 -0.01 -0.03 -0.04 1.69 1.61 1czfB1 LYS 299 HD3 -0.00 -0.02 -0.03 -0.04 1.68 1.59 1czfB1 LYS 299 HE2 -0.00 0.01 -0.03 -0.04 2.99 2.93 1czfB1 LYS 299 HE3 -0.00 0.03 -0.03 -0.04 2.99 2.95 1czfB1 PRO 300 HA 0.01 0.06 0.15 -0.51 4.44 4.14 1czfB1 PRO 300 HB2 -0.00 0.01 -0.61 -0.04 2.28 1.64 1czfB1 PRO 300 HB3 -0.01 -0.08 -0.27 -0.04 2.02 1.62 1czfB1 PRO 300 HG2 -0.01 -0.04 -0.01 -0.04 2.03 1.93 1czfB1 PRO 300 HG3 -0.02 0.12 -0.17 -0.04 2.03 1.92 1czfB1 PRO 300 HD2 -0.00 0.14 0.16 -0.04 3.68 3.93 1czfB1 PRO 300 HD3 0.00 0.15 -0.22 -0.04 3.65 3.54 1czfB1 THR 301 H 0.02 0.49 0.30 -0.55 8.28 8.54 1czfB1 THR 301 HA 0.00 0.19 0.86 -0.75 4.39 4.69 1czfB1 THR 301 HB 0.01 -0.04 0.22 -0.04 4.32 4.47 1czfB1 THR 301 HG23 0.01 0.06 0.05 -0.04 1.22 1.30 1czfB1 ASN 302 H 0.01 0.17 0.15 -0.55 8.53 8.31 1czfB1 ASN 302 HA 0.02 0.24 0.95 -0.75 4.76 5.21 1czfB1 ASN 302 HB2 -0.00 0.10 0.03 -0.04 2.88 2.96 1czfB1 ASN 302 HB3 -0.01 -0.21 -0.18 -0.04 2.79 2.36 1czfB1 ASN 302 HD21 -0.01 -0.03 0.03 -0.04 7.03 6.98 1czfB1 ASN 302 HD22 -0.02 0.43 0.13 -0.04 7.74 8.24 1czfB1 GLY 303 H 0.02 0.07 -0.03 -0.55 8.43 7.94 1czfB1 GLY 303 HA2 0.01 0.08 0.53 -0.51 4.01 4.13 1czfB1 GLY 303 HA3 0.01 0.19 0.35 -0.51 4.01 4.06 1czfB1 VAL 304 H 0.03 0.05 -0.24 -0.55 8.24 7.52 1czfB1 VAL 304 HA 0.03 0.24 0.81 -0.75 4.13 4.45 1czfB1 VAL 304 HB 0.04 -0.06 -0.07 -0.04 2.12 1.99 1czfB1 VAL 304 HG13 0.03 0.01 -0.41 -0.04 0.97 0.56 1czfB1 VAL 304 HG23 0.03 0.04 -0.50 -0.04 0.95 0.48 1czfB1 THR 305 H 0.04 0.41 0.25 -0.55 8.28 8.43 1czfB1 THR 305 HA 0.06 0.22 0.75 -0.75 4.39 4.66 1czfB1 THR 305 HB 0.06 0.01 0.10 -0.04 4.32 4.45 1czfB1 THR 305 HG23 0.03 0.02 0.02 -0.04 1.22 1.24 1czfB1 ILE 306 H 0.14 0.70 0.26 -0.55 8.25 8.80 1czfB1 ILE 306 HA 0.12 0.27 0.89 -0.75 4.18 4.71 1czfB1 ILE 306 HB 0.38 -0.08 0.14 -0.04 1.89 2.29 1czfB1 ILE 306 HG12 0.09 0.04 -0.15 -0.04 1.49 1.43 1czfB1 ILE 306 HG13 0.12 0.08 -0.44 -0.04 1.21 0.93 1czfB1 ILE 306 HG23 0.12 -0.02 -0.12 -0.04 0.93 0.86 1czfB1 ILE 306 HD13 0.13 -0.03 -0.19 -0.04 0.88 0.75 1czfB1 GLN 307 H 0.12 0.64 0.32 -0.55 8.47 9.01 1czfB1 GLN 307 HA 0.35 0.43 1.15 -0.75 4.36 5.53 1czfB1 GLN 307 HB2 0.12 -0.00 -0.09 -0.04 2.15 2.13 1czfB1 GLN 307 HB3 0.09 -0.05 0.10 -0.04 2.02 2.11 1czfB1 GLN 307 HG2 0.11 -0.04 0.00 -0.04 2.40 2.43 1czfB1 GLN 307 HG3 0.12 0.05 0.01 -0.04 2.39 2.54 1czfB1 GLN 307 HE21 0.04 0.01 -0.03 -0.04 6.97 6.94 1czfB1 GLN 307 HE22 0.05 -0.01 -0.05 -0.04 7.69 7.64 1czfB1 ASP 308 H 0.27 0.57 0.46 -0.55 8.40 9.16 1czfB1 ASP 308 HA 0.14 0.25 0.54 -0.75 4.63 4.80 1czfB1 ASP 308 HB2 0.05 -0.08 -0.13 -0.04 2.71 2.51 1czfB1 ASP 308 HB3 0.03 -0.07 0.39 -0.04 2.70 3.01 1czfB1 VAL 309 H -0.09 0.22 0.04 -0.55 8.24 7.86 1czfB1 VAL 309 HA -0.19 0.26 0.91 -0.75 4.13 4.36 1czfB1 VAL 309 HB -1.97 -0.05 0.04 -0.04 2.12 0.10 1czfB1 VAL 309 HG13 -0.52 -0.00 -0.21 -0.04 0.97 0.19 1czfB1 VAL 309 HG23 -0.38 0.00 -0.21 -0.04 0.95 0.32 1czfB1 LYS 310 H -0.07 0.84 0.38 -0.55 8.42 9.02 1czfB1 LYS 310 HA 0.06 0.24 1.13 -0.75 4.32 4.99 1czfB1 LYS 310 HB2 0.03 -0.03 -0.09 -0.04 1.87 1.74 1czfB1 LYS 310 HB3 -0.02 0.01 0.13 -0.04 1.79 1.88 1czfB1 LYS 310 HG2 -0.02 -0.02 -0.40 -0.04 1.46 0.98 1czfB1 LYS 310 HG3 0.03 0.01 -0.13 -0.04 1.46 1.32 1czfB1 LYS 310 HD2 0.02 -0.01 -0.09 -0.04 1.69 1.58 1czfB1 LYS 310 HD3 -0.00 -0.01 -0.10 -0.04 1.68 1.53 1czfB1 LYS 310 HE2 -0.01 -0.01 -0.14 -0.04 2.99 2.79 1czfB1 LYS 310 HE3 0.02 -0.01 -0.12 -0.04 2.99 2.83 1czfB1 LEU 311 H -0.04 0.68 0.33 -0.55 8.37 8.79 1czfB1 LEU 311 HA -0.16 0.31 1.05 -0.75 4.35 4.79 1czfB1 LEU 311 HB2 -0.86 -0.00 0.18 -0.04 1.64 0.91 1czfB1 LEU 311 HB3 -0.77 -0.02 0.02 -0.04 1.64 0.82 1czfB1 LEU 311 HG -0.34 0.05 0.07 -0.04 1.64 1.39 1czfB1 LEU 311 HD13 -0.25 0.00 -0.28 -0.04 0.93 0.36 1czfB1 LEU 311 HD23 -0.92 -0.01 -0.05 -0.04 0.89 -0.13 1czfB1 GLU 312 H -0.12 0.74 0.30 -0.55 8.60 8.97 1czfB1 GLU 312 HA -0.11 0.31 0.76 -0.75 4.29 4.49 1czfB1 GLU 312 HB2 -0.04 -0.02 0.06 -0.04 2.09 2.06 1czfB1 GLU 312 HB3 -0.04 0.01 -0.13 -0.04 1.99 1.79 1czfB1 GLU 312 HG2 -0.05 0.05 -0.04 -0.04 2.34 2.26 1czfB1 GLU 312 HG3 -0.06 -0.11 0.13 -0.04 2.34 2.26 1czfB1 SER 313 H -0.10 0.51 0.15 -0.55 8.46 8.47 1czfB1 SER 313 HA -0.07 0.20 0.49 -0.75 4.49 4.37 1czfB1 VAL 314 H -0.17 0.40 0.10 -0.55 8.24 8.02 1czfB1 VAL 314 HA -0.11 0.19 0.90 -0.75 4.13 4.36 1czfB1 VAL 314 HB -0.31 -0.07 0.12 -0.04 2.12 1.82 1czfB1 VAL 314 HG13 -0.19 -0.00 -0.13 -0.04 0.97 0.60 1czfB1 VAL 314 HG23 -0.20 -0.02 -0.18 -0.04 0.95 0.51 1czfB1 THR 315 H -0.06 0.73 0.29 -0.55 8.28 8.69 1czfB1 THR 315 HA -0.05 0.30 0.94 -0.75 4.39 4.82 1czfB1 THR 315 HB -0.02 -0.02 0.22 -0.04 4.32 4.45 1czfB1 THR 315 HG23 -0.04 -0.06 -0.22 -0.04 1.22 0.85 1czfB1 GLY 316 H -0.02 0.36 0.39 -0.55 8.43 8.62 1czfB1 GLY 316 HA2 -0.01 -0.01 0.48 -0.51 4.01 3.96 1czfB1 GLY 316 HA3 -0.02 0.20 1.18 -0.51 4.01 4.86 1czfB1 SER 317 H -0.02 0.62 0.38 -0.55 8.46 8.90 1czfB1 SER 317 HA -0.01 0.31 1.06 -0.75 4.49 5.10 1czfB1 SER 317 HB2 -0.01 0.09 0.06 -0.04 3.95 4.04 1czfB1 SER 317 HB3 -0.01 -0.01 -0.06 -0.04 3.93 3.81 1czfB1 VAL 318 H -0.01 0.73 0.34 -0.55 8.24 8.75 1czfB1 VAL 318 HA -0.02 -0.09 0.74 -0.75 4.13 4.00 1czfB1 VAL 318 HB -0.03 0.09 -0.17 -0.04 2.12 1.97 1czfB1 VAL 318 HG13 -0.01 -0.01 -0.33 -0.04 0.97 0.57 1czfB1 VAL 318 HG23 -0.01 0.07 -0.62 -0.04 0.95 0.35 1czfB1 ASP 319 H -0.04 0.73 0.11 -0.55 8.40 8.65 1czfB1 ASP 319 HA -0.02 0.09 0.61 -0.75 4.63 4.55 1czfB1 ASP 319 HB2 -0.04 0.18 -0.06 -0.04 2.71 2.75 1czfB1 ASP 319 HB3 -0.03 -0.04 0.08 -0.04 2.70 2.67 1czfB1 SER 320 H -0.02 0.17 0.15 -0.55 8.46 8.21 1czfB1 SER 320 HA -0.03 0.04 0.61 -0.75 4.49 4.37 1czfB1 SER 320 HB2 -0.02 0.07 0.23 -0.04 3.95 4.19 1czfB1 SER 320 HB3 -0.02 -0.02 0.17 -0.04 3.93 4.03 1czfB1 GLY 321 H -0.05 0.03 -0.65 -0.55 8.43 7.21 1czfB1 GLY 321 HA2 -0.05 0.19 0.80 -0.51 4.01 4.43 1czfB1 GLY 321 HA3 -0.06 -0.01 0.28 -0.51 4.01 3.71 1czfB1 ALA 322 H -0.06 0.27 -0.08 -0.55 8.40 7.98 1czfB1 ALA 322 HA -0.18 0.32 0.83 -0.75 4.34 4.57 1czfB1 ALA 322 HB3 -0.08 -0.01 -0.38 -0.04 1.41 0.90 1czfB1 THR 323 H -0.21 0.83 0.19 -0.55 8.28 8.55 1czfB1 THR 323 HA -0.02 0.16 0.84 -0.75 4.39 4.62 1czfB1 THR 323 HB -0.03 0.06 0.08 -0.04 4.32 4.39 1czfB1 THR 323 HG23 0.13 -0.05 -0.17 -0.04 1.22 1.09 1czfB1 GLU 324 H 0.04 0.71 0.25 -0.55 8.60 9.04 1czfB1 GLU 324 HA 0.04 0.01 0.39 -0.75 4.29 3.97 1czfB1 GLU 324 HB2 0.05 -0.13 0.21 -0.04 2.09 2.18 1czfB1 GLU 324 HB3 0.05 0.01 0.01 -0.04 1.99 2.01 1czfB1 GLU 324 HG2 0.02 -0.06 -0.38 -0.04 2.34 1.88 1czfB1 GLU 324 HG3 0.02 0.05 -0.13 -0.04 2.34 2.24 1czfB1 ILE 325 H 0.11 0.14 0.16 -0.55 8.25 8.11 1czfB1 ILE 325 HA 0.14 0.35 0.99 -0.75 4.18 4.90 1czfB1 ILE 325 HB 0.10 -0.19 0.15 -0.04 1.89 1.91 1czfB1 ILE 325 HG12 0.14 0.03 -0.09 -0.04 1.49 1.52 1czfB1 ILE 325 HG13 0.10 -0.13 -0.63 -0.04 1.21 0.50 1czfB1 ILE 325 HG23 0.20 0.04 -0.15 -0.04 0.93 0.97 1czfB1 ILE 325 HD13 0.23 0.02 -0.04 -0.04 0.88 1.06 1czfB1 TYR 326 H 0.13 0.71 0.25 -0.55 8.29 8.83 1czfB1 TYR 326 HA -0.01 0.06 0.81 -0.75 4.56 4.66 1czfB1 TYR 326 HB2 0.13 0.03 -0.16 -0.04 3.06 3.02 1czfB1 TYR 326 HB3 -0.39 -0.00 0.12 -0.04 2.98 2.66 1czfB1 TYR 326 HD2 -0.27 -0.04 -0.07 -0.04 7.15 6.72 1czfB1 TYR 326 HE2 -0.02 0.02 -0.18 -0.04 6.85 6.64 1czfB1 LEU 327 H -0.17 0.19 0.03 -0.55 8.37 7.87 1czfB1 LEU 327 HA -0.13 0.27 0.98 -0.75 4.35 4.72 1czfB1 LEU 327 HB2 -0.42 -0.05 0.08 -0.04 1.64 1.21 1czfB1 LEU 327 HB3 -0.02 0.05 -0.02 -0.04 1.64 1.61 1czfB1 LEU 327 HG -0.17 -0.11 -0.40 -0.04 1.64 0.92 1czfB1 LEU 327 HD13 -0.81 0.02 -0.24 -0.04 0.93 -0.15 1czfB1 LEU 327 HD23 0.25 0.03 -0.16 -0.04 0.89 0.97 1czfB1 LEU 328 H -0.25 0.82 0.27 -0.55 8.37 8.65 1czfB1 LEU 328 HA -0.13 0.17 1.06 -0.75 4.35 4.70 1czfB1 LEU 328 HB2 -0.75 -0.00 -0.08 -0.04 1.64 0.76 1czfB1 LEU 328 HB3 -0.28 -0.19 0.26 -0.04 1.64 1.39 1czfB1 LEU 328 HG -0.05 0.04 -0.13 -0.04 1.64 1.45 1czfB1 LEU 328 HD13 0.00 0.05 0.06 -0.04 0.93 1.01 1czfB1 LEU 328 HD23 0.04 -0.04 -0.10 -0.04 0.89 0.76 1czfB1 CYS 329 H -0.00 0.59 0.05 -0.55 8.50 8.59 1czfB1 CYS 329 HA 0.03 0.03 0.69 -0.75 4.58 4.57 1czfB1 CYS 329 HB2 -0.05 0.09 -0.12 -0.04 2.97 2.85 1czfB1 CYS 329 HB3 -0.02 0.04 0.04 -0.04 2.97 2.98 1czfB1 GLY 330 H 0.02 0.10 0.07 -0.55 8.43 8.07 1czfB1 GLY 330 HA2 -0.01 0.20 0.25 -0.51 4.01 3.94 1czfB1 GLY 330 HA3 -0.00 0.15 -0.19 -0.51 4.01 3.47 1czfB1 SER 331 H -0.02 0.16 0.01 -0.55 8.46 8.06 1czfB1 SER 331 HA -0.06 0.07 0.51 -0.75 4.49 4.26 1czfB1 GLY 332 H -0.08 0.23 0.24 -0.55 8.43 8.27 1czfB1 GLY 332 HA2 -0.08 0.04 0.34 -0.51 4.01 3.80 1czfB1 GLY 332 HA3 -0.05 0.08 0.34 -0.51 4.01 3.87 1czfB1 SER 333 H -0.03 0.15 -0.66 -0.55 8.46 7.38 1czfB1 SER 333 HA 0.01 0.16 0.51 -0.75 4.49 4.42 1czfB1 SER 333 HB2 0.04 0.18 0.06 -0.04 3.95 4.19 1czfB1 SER 333 HB3 0.01 0.12 -0.04 -0.04 3.93 3.99 1czfB1 CYS 334 H -0.06 0.14 -0.11 -0.55 8.50 7.92 1czfB1 CYS 334 HA 0.16 0.35 1.04 -0.75 4.58 5.39 1czfB1 CYS 334 HB2 -0.26 0.14 0.19 -0.04 2.97 2.99 1czfB1 CYS 334 HB3 -0.44 -0.04 0.05 -0.04 2.97 2.50 1czfB1 SER 335 H 0.17 0.60 0.37 -0.55 8.46 9.05 1czfB1 SER 335 HA -0.19 0.05 0.71 -0.75 4.49 4.30 1czfB1 SER 335 HB2 -0.02 -0.07 0.10 -0.04 3.95 3.92 1czfB1 SER 335 HB3 -0.04 0.16 -0.25 -0.04 3.93 3.76 1czfB1 ASP 336 H -0.03 0.14 0.18 -0.55 8.40 8.14 1czfB1 ASP 336 HA 0.10 0.05 0.47 -0.75 4.63 4.50 1czfB1 ASP 336 HB2 0.07 0.04 0.01 -0.04 2.71 2.79 1czfB1 ASP 336 HB3 0.15 0.01 0.04 -0.04 2.70 2.85 1czfB1 TRP 337 H 0.23 0.09 0.16 -0.55 7.97 7.91 1czfB1 TRP 337 HA 0.10 0.25 1.06 -0.75 4.62 5.28 1czfB1 TRP 337 HB2 0.08 -0.12 -0.02 -0.04 3.23 3.12 1czfB1 TRP 337 HB3 0.23 0.11 0.01 -0.04 3.23 3.54 1czfB1 TRP 337 HD1 0.06 0.18 -0.76 -0.04 7.22 6.66 1czfB1 TRP 337 HE1 0.05 0.37 -0.06 -0.04 10.20 10.52 1czfB1 TRP 337 HE3 -0.06 0.00 -0.10 -0.04 7.59 7.39 1czfB1 TRP 337 HZ2 0.04 0.02 -0.05 -0.04 7.44 7.41 1czfB1 TRP 337 HZ3 -0.19 -0.02 -0.10 -0.04 7.13 6.79 1czfB1 TRP 337 HH2 0.01 -0.02 -0.08 -0.04 7.19 7.07 1czfB1 THR 338 H 0.31 0.76 0.42 -0.55 8.28 9.22 1czfB1 THR 338 HA 0.23 0.11 0.76 -0.75 4.39 4.73 1czfB1 THR 338 HB 0.11 -0.05 0.13 -0.04 4.32 4.47 1czfB1 THR 338 HG23 0.10 0.01 -0.07 -0.04 1.22 1.21 1czfB1 TRP 339 H 0.33 0.25 0.04 -0.55 7.97 8.04 1czfB1 TRP 339 HA 0.06 0.16 0.94 -0.75 4.62 5.02 1czfB1 TRP 339 HB2 0.17 -0.12 -0.36 -0.04 3.23 2.89 1czfB1 TRP 339 HB3 0.09 0.21 0.08 -0.04 3.23 3.58 1czfB1 TRP 339 HD1 0.05 0.02 -0.05 -0.04 7.22 7.20 1czfB1 TRP 339 HE1 0.01 0.12 0.05 -0.04 10.20 10.34 1czfB1 TRP 339 HE3 0.18 0.04 -0.13 -0.04 7.59 7.64 1czfB1 TRP 339 HZ2 -0.03 0.08 -0.01 -0.04 7.44 7.44 1czfB1 TRP 339 HZ3 -0.15 -0.01 -0.12 -0.04 7.13 6.81 1czfB1 TRP 339 HH2 -0.04 -0.03 -0.13 -0.04 7.19 6.96 1czfB1 ASP 340 H -0.09 0.82 0.26 -0.55 8.40 8.84 1czfB1 ASP 340 HA 0.08 0.18 1.02 -0.75 4.63 5.15 1czfB1 ASP 340 HB2 -0.00 0.02 0.15 -0.04 2.71 2.83 1czfB1 ASP 340 HB3 0.01 -0.01 0.01 -0.04 2.70 2.68 1czfB1 ASP 341 H 0.03 0.23 0.13 -0.55 8.40 8.24 1czfB1 ASP 341 HA -0.00 0.11 0.32 -0.75 4.63 4.30 1czfB1 ASP 341 HB2 -0.04 -0.12 0.02 -0.04 2.71 2.53 1czfB1 ASP 341 HB3 -0.02 0.05 0.19 -0.04 2.70 2.88 1czfB1 VAL 342 H -0.05 0.17 -0.25 -0.55 8.24 7.55 1czfB1 VAL 342 HA -0.21 0.26 0.88 -0.75 4.13 4.30 1czfB1 VAL 342 HB -0.22 0.01 0.09 -0.04 2.12 1.96 1czfB1 VAL 342 HG13 -0.25 0.00 -0.08 -0.04 0.97 0.60 1czfB1 VAL 342 HG23 -1.22 -0.02 -0.19 -0.04 0.95 -0.52 1czfB1 LYS 343 H -0.06 0.53 0.05 -0.55 8.42 8.39 1czfB1 LYS 343 HA 0.02 0.16 0.83 -0.75 4.32 4.59 1czfB1 LYS 343 HB2 0.01 -0.03 -0.16 -0.04 1.87 1.64 1czfB1 LYS 343 HB3 -0.01 -0.04 0.12 -0.04 1.79 1.82 1czfB1 LYS 343 HG2 0.01 0.00 -0.23 -0.04 1.46 1.20 1czfB1 LYS 343 HG3 0.02 0.04 -0.02 -0.04 1.46 1.46 1czfB1 LYS 343 HD2 0.01 -0.00 -0.03 -0.04 1.69 1.63 1czfB1 LYS 343 HD3 0.00 -0.03 -0.01 -0.04 1.68 1.60 1czfB1 LYS 343 HE2 0.01 -0.02 -0.06 -0.04 2.99 2.88 1czfB1 LYS 343 HE3 0.01 0.03 -0.05 -0.04 2.99 2.94 1czfB1 VAL 344 H 0.02 0.23 -0.00 -0.55 8.24 7.94 1czfB1 VAL 344 HA -0.01 0.27 0.86 -0.75 4.13 4.50 1czfB1 VAL 344 HB 0.02 -0.07 0.00 -0.04 2.12 2.04 1czfB1 VAL 344 HG13 0.00 0.02 -0.25 -0.04 0.97 0.70 1czfB1 VAL 344 HG23 -0.03 -0.01 -0.34 -0.04 0.95 0.53 1czfB1 THR 345 H -0.00 0.64 0.36 -0.55 8.28 8.73 1czfB1 THR 345 HA 0.01 0.21 0.94 -0.75 4.39 4.80 1czfB1 THR 345 HB 0.00 -0.07 0.09 -0.04 4.32 4.31 1czfB1 THR 345 HG23 0.01 0.01 -0.11 -0.04 1.22 1.08 1czfB1 GLY 346 H 0.00 0.09 0.10 -0.55 8.43 8.08 1czfB1 GLY 346 HA2 -0.01 -0.00 0.33 -0.51 4.01 3.82 1czfB1 GLY 346 HA3 -0.01 0.23 0.76 -0.51 4.01 4.48 1czfB1 GLY 347 H -0.02 -0.00 -0.09 -0.55 8.43 7.78 1czfB1 GLY 347 HA2 -0.03 -0.07 0.31 -0.51 4.01 3.72 1czfB1 GLY 347 HA3 -0.03 0.11 0.19 -0.51 4.01 3.77 1czfB1 LYS 348 H -0.02 0.42 0.32 -0.55 8.42 8.58 1czfB1 LYS 348 HA -0.00 0.18 0.94 -0.75 4.32 4.69 1czfB1 LYS 348 HB2 -0.01 0.01 0.06 -0.04 1.87 1.88 1czfB1 LYS 348 HB3 -0.02 0.04 -0.16 -0.04 1.79 1.61 1czfB1 LYS 348 HG2 -0.04 0.20 -0.05 -0.04 1.46 1.53 1czfB1 LYS 348 HG3 -0.02 -0.15 -0.36 -0.04 1.46 0.90 1czfB1 LYS 348 HD2 -0.02 0.00 -0.10 -0.04 1.69 1.52 1czfB1 LYS 348 HD3 -0.04 0.04 -0.11 -0.04 1.68 1.53 1czfB1 LYS 348 HE2 -0.08 0.08 -0.18 -0.04 2.99 2.76 1czfB1 LYS 348 HE3 -0.06 -0.11 -0.14 -0.04 2.99 2.64 1czfB1 LYS 349 H 0.01 0.21 0.18 -0.55 8.42 8.27 1czfB1 LYS 349 HA 0.04 -0.01 0.86 -0.75 4.32 4.45 1czfB1 LYS 349 HB2 0.02 0.01 0.16 -0.04 1.87 2.03 1czfB1 LYS 349 HB3 0.03 0.06 0.06 -0.04 1.79 1.90 1czfB1 LYS 349 HG2 0.03 0.00 0.04 -0.04 1.46 1.49 1czfB1 LYS 349 HG3 0.02 0.01 0.02 -0.04 1.46 1.47 1czfB1 LYS 349 HD2 0.03 0.01 0.02 -0.04 1.69 1.71 1czfB1 LYS 349 HD3 0.02 -0.00 0.03 -0.04 1.68 1.69 1czfB1 LYS 349 HE2 0.03 -0.03 0.03 -0.04 2.99 2.99 1czfB1 LYS 349 HE3 0.04 -0.01 0.03 -0.04 2.99 3.01 1czfB1 SER 350 H 0.07 0.12 0.26 -0.55 8.46 8.36 1czfB1 SER 350 HA 0.04 0.11 0.54 -0.75 4.49 4.42 1czfB1 SER 350 HB2 0.12 0.08 0.15 -0.04 3.95 4.26 1czfB1 SER 350 HB3 0.15 0.09 0.29 -0.04 3.93 4.42 1czfB1 THR 351 H 0.04 0.19 0.22 -0.55 8.28 8.19 1czfB1 THR 351 HA 0.05 0.21 0.87 -0.75 4.39 4.78 1czfB1 THR 351 HB 0.03 0.03 0.21 -0.04 4.32 4.55 1czfB1 THR 351 HG23 0.02 0.03 -0.02 -0.04 1.22 1.21 1czfB1 ALA 352 H 0.12 -0.04 -0.05 -0.55 8.40 7.88 1czfB1 ALA 352 HA 0.10 0.30 0.84 -0.75 4.34 4.83 1czfB1 ALA 352 HB3 0.15 0.00 0.06 -0.04 1.41 1.58 1czfB1 CYS 353 H 0.14 0.03 -0.21 -0.55 8.50 7.91 1czfB1 CYS 353 HA 0.04 0.16 0.58 -0.75 4.58 4.61 1czfB1 CYS 353 HB2 0.14 0.02 0.04 -0.04 2.97 3.12 1czfB1 CYS 353 HB3 -0.06 0.07 0.07 -0.04 2.97 3.00 1czfB1 LYS 354 H 0.09 0.56 0.49 -0.55 8.42 9.00 1czfB1 LYS 354 HA 0.01 0.13 0.85 -0.75 4.32 4.55 1czfB1 LYS 354 HB2 -0.00 -0.02 0.08 -0.04 1.87 1.88 1czfB1 LYS 354 HB3 -0.03 -0.02 0.04 -0.04 1.79 1.74 1czfB1 LYS 354 HG2 0.05 0.16 -0.52 -0.04 1.46 1.11 1czfB1 LYS 354 HG3 0.02 0.00 -0.04 -0.04 1.46 1.40 1czfB1 LYS 354 HD2 -0.02 -0.08 0.03 -0.04 1.69 1.59 1czfB1 LYS 354 HD3 0.01 0.14 0.08 -0.04 1.68 1.87 1czfB1 LYS 354 HE2 0.04 0.03 -0.09 -0.04 2.99 2.94 1czfB1 LYS 354 HE3 0.02 -0.03 -0.01 -0.04 2.99 2.92 1czfB1 ASN 355 H -0.19 0.17 0.12 -0.55 8.53 8.09 1czfB1 ASN 355 HA -0.27 0.04 0.30 -0.75 4.76 4.07 1czfB1 ASN 355 HB2 -0.08 0.19 -0.24 -0.04 2.88 2.70 1czfB1 ASN 355 HB3 -0.13 -0.08 0.13 -0.04 2.79 2.67 1czfB1 ASN 355 HD21 -0.04 -0.04 -0.11 -0.04 7.03 6.79 1czfB1 ASN 355 HD22 -0.04 0.57 -0.23 -0.04 7.74 8.00 1czfB1 PHE 356 H -0.64 0.04 -0.41 -0.55 8.34 6.77 1czfB1 PHE 356 HA -0.59 0.14 0.62 -0.75 4.62 4.04 1czfB1 PHE 356 HB2 -0.59 0.02 -0.07 -0.04 3.15 2.48 1czfB1 PHE 356 HB3 -0.26 -0.04 -0.11 -0.04 3.06 2.61 1czfB1 PHE 356 HD2 -0.28 0.17 -0.37 -0.04 7.28 6.76 1czfB1 PHE 356 HE2 -0.16 0.20 -0.29 -0.04 7.38 7.10 1czfB1 PHE 356 HZ -0.11 0.02 -0.10 -0.04 7.32 7.09 1czfB1 PRO 357 HA -0.37 0.07 0.43 -0.51 4.44 4.06 1czfB1 PRO 357 HB2 -0.41 -0.05 0.03 -0.04 2.28 1.81 1czfB1 PRO 357 HB3 -0.33 -0.04 0.09 -0.04 2.02 1.71 1czfB1 PRO 357 HG2 -2.13 0.02 -0.19 -0.04 2.03 -0.31 1czfB1 PRO 357 HG3 -0.77 0.21 -0.21 -0.04 2.03 1.22 1czfB1 PRO 357 HD2 -2.26 0.06 0.08 -0.04 3.68 1.52 1czfB1 PRO 357 HD3 -1.27 0.21 0.14 -0.04 3.65 2.69 1czfB1 SER 358 H -0.21 0.12 0.18 -0.55 8.46 8.00 1czfB1 SER 358 HA -0.15 0.19 0.32 -0.75 4.49 4.08 1czfB1 SER 358 HB2 -0.09 0.05 0.11 -0.04 3.95 3.98 1czfB1 SER 358 HB3 -0.16 0.01 0.15 -0.04 3.93 3.89 1czfB1 VAL 359 H -0.06 -0.06 -0.40 -0.55 8.24 7.17 1czfB1 VAL 359 HA 0.02 0.08 0.44 -0.75 4.13 3.92 1czfB1 VAL 359 HB 0.17 -0.03 0.01 -0.04 2.12 2.22 1czfB1 VAL 359 HG13 0.06 0.00 0.06 -0.04 0.97 1.06 1czfB1 VAL 359 HG23 0.15 0.04 -0.22 -0.04 0.95 0.87 1czfB1 ALA 360 H -0.15 0.38 -0.29 -0.55 8.40 7.79 1czfB1 ALA 360 HA -1.55 0.08 0.61 -0.75 4.34 2.73 1czfB1 ALA 360 HB3 -0.94 -0.01 -0.05 -0.04 1.41 0.37 1czfB1 SER 361 H -1.05 0.25 0.14 -0.55 8.46 7.25 1czfB1 SER 361 HA -0.34 0.05 0.35 -0.75 4.49 3.80 1czfB1 SER 361 HB2 -0.02 0.03 0.07 -0.04 3.95 3.98 1czfB1 SER 361 HB3 -0.04 0.20 -0.09 -0.04 3.93 3.96 1czfB1 CYS 362 H -0.19 0.15 0.02 -0.55 8.50 7.93 1czfB1 CYS 362 HA -0.03 0.16 0.62 -0.75 4.58 4.57 1czfB1 CYS 362 HB2 -0.06 0.09 0.12 -0.04 2.97 3.07 1czfB1 CYS 362 HB3 0.01 0.05 0.18 -0.04 2.97 3.17