============================================================================= 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 13.512 8.279 -25.146 -99.200 -91.000 PHE 47 1.000 20.870 16.437 -20.566 -99.200 -91.000 PHE 53 1.000 18.054 23.650 -25.323 -99.200 -91.000 TYR 55 0.840 15.489 33.633 -31.388 -99.200 -91.000 TRP 58 1.040 10.559 29.395 -25.475 -99.200 -91.000 TRP6 58 1.020 9.761 27.591 -24.175 -99.200 -91.000 HIS 69 0.900 14.702 7.859 -4.375 -99.200 -91.000 HIS 78 0.900 27.798 16.696 -21.042 -99.200 -91.000 TRP 87 1.040 15.986 33.597 -26.803 -99.200 -91.000 TRP6 87 1.020 17.022 31.526 -27.269 -99.200 -91.000 TRP 88 1.040 22.548 36.085 -23.731 -99.200 -91.000 TRP6 88 1.020 24.673 35.147 -24.167 -99.200 -91.000 PHE 101 1.000 20.020 24.666 -19.335 -99.200 -91.000 PHE 102 1.000 17.864 20.690 -15.630 -99.200 -91.000 TYR 103 0.840 11.225 26.358 -14.944 -99.200 -91.000 HIS 105 0.900 10.854 24.627 -11.020 -99.200 -91.000 PHE 125 1.000 21.544 23.677 -14.011 -99.200 -91.000 PHE 134 1.000 21.507 21.446 -9.293 -99.200 -91.000 HIS 150 0.900 23.011 42.885 -18.949 -99.200 -91.000 PHE 155 1.000 24.193 26.044 -9.872 -99.200 -91.000 TRP 169 1.040 34.841 27.302 -14.329 -99.200 -91.000 TRP6 169 1.020 34.067 28.636 -16.126 -99.200 -91.000 HIS 171 0.900 33.003 34.424 -17.866 -99.200 -91.000 TRP 186 1.040 28.425 22.342 1.470 -99.200 -91.000 TRP6 186 1.020 29.149 20.182 0.858 -99.200 -91.000 PHE 187 1.000 28.151 28.106 -4.989 -99.200 -91.000 HIS 196 0.900 24.401 41.064 -11.173 -99.200 -91.000 HIS 218 0.900 36.836 25.491 1.545 -99.200 -91.000 TYR 245 0.840 27.940 34.444 1.997 -99.200 -91.000 TYR 256 0.840 27.535 47.560 -2.191 -99.200 -91.000 TYR 264 0.840 18.582 45.585 -2.914 -99.200 -91.000 TYR 299 0.840 25.664 49.819 2.386 -99.200 -91.000 TRP 310 1.040 25.214 38.952 11.869 -99.200 -91.000 TRP6 310 1.020 25.656 40.715 10.359 -99.200 -91.000 TRP 312 1.040 33.216 40.740 10.103 -99.200 -91.000 TRP6 312 1.020 31.324 40.741 8.684 -99.200 -91.000 PHE 329 1.000 28.278 47.463 11.842 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1czfA1 ASP 28 HA -0.01 -0.09 0.25 -0.75 4.63 4.02 1czfA1 ASP 28 HB2 -0.00 0.03 -0.10 -0.04 2.71 2.59 1czfA1 ASP 28 HB3 -0.02 -0.02 0.01 -0.04 2.70 2.63 1czfA1 SER 29 H -0.03 0.08 0.15 -0.55 8.46 8.11 1czfA1 SER 29 HA -0.04 0.11 0.82 -0.75 4.49 4.63 1czfA1 SER 29 HB2 -0.04 -0.04 0.18 -0.04 3.95 4.00 1czfA1 SER 29 HB3 -0.05 -0.00 0.01 -0.04 3.93 3.84 1czfA1 CYS 30 H -0.10 0.81 0.39 -0.55 8.50 9.05 1czfA1 CYS 30 HA -0.26 0.15 0.99 -0.75 4.58 4.71 1czfA1 CYS 30 HB2 -0.31 -0.01 0.06 -0.04 2.97 2.67 1czfA1 CYS 30 HB3 -0.88 -0.06 -0.05 -0.04 2.97 1.94 1czfA1 THR 31 H -0.45 0.28 0.16 -0.55 8.28 7.71 1czfA1 THR 31 HA -0.24 0.23 1.04 -0.75 4.39 4.66 1czfA1 THR 31 HB -0.15 -0.02 0.10 -0.04 4.32 4.21 1czfA1 THR 31 HG23 -0.07 -0.01 -0.12 -0.04 1.22 0.98 1czfA1 PHE 32 H -0.05 0.78 0.38 -0.55 8.34 8.89 1czfA1 PHE 32 HA -0.02 0.14 1.02 -0.75 4.62 5.00 1czfA1 PHE 32 HB2 -0.05 0.04 0.11 -0.04 3.15 3.21 1czfA1 PHE 32 HB3 -0.03 -0.05 0.08 -0.04 3.06 3.02 1czfA1 PHE 32 HD2 -0.04 -0.04 -0.13 -0.04 7.28 7.04 1czfA1 PHE 32 HE2 -0.02 0.05 -0.12 -0.04 7.38 7.25 1czfA1 PHE 32 HZ -0.02 0.10 -0.27 -0.04 7.32 7.09 1czfA1 THR 33 H 0.12 0.12 0.18 -0.55 8.28 8.16 1czfA1 THR 33 HA 0.05 0.41 0.96 -0.75 4.39 5.06 1czfA1 THR 33 HB 0.02 0.07 0.17 -0.04 4.32 4.54 1czfA1 THR 33 HG23 0.01 0.01 -0.11 -0.04 1.22 1.10 1czfA1 THR 34 H 0.10 0.09 0.10 -0.55 8.28 8.02 1czfA1 THR 34 HA 0.01 0.30 0.83 -0.75 4.39 4.77 1czfA1 THR 34 HB -0.00 -0.02 0.17 -0.04 4.32 4.42 1czfA1 THR 34 HG23 0.02 0.05 -0.09 -0.04 1.22 1.15 1czfA1 ALA 35 H -0.02 0.30 0.14 -0.55 8.40 8.28 1czfA1 ALA 35 HA -0.05 0.12 0.43 -0.75 4.34 4.08 1czfA1 ALA 35 HB3 -0.02 0.05 0.10 -0.04 1.41 1.51 1czfA1 ALA 36 H -0.04 0.09 -0.04 -0.55 8.40 7.86 1czfA1 ALA 36 HA -0.07 0.15 0.43 -0.75 4.34 4.10 1czfA1 ALA 36 HB3 -0.04 0.03 0.09 -0.04 1.41 1.45 1czfA1 ALA 37 H -0.05 0.03 -0.25 -0.55 8.40 7.57 1czfA1 ALA 37 HA -0.07 0.10 0.38 -0.75 4.34 4.00 1czfA1 ALA 37 HB3 0.13 0.01 0.10 -0.04 1.41 1.61 1czfA1 ALA 38 H -0.33 0.30 -0.24 -0.55 8.40 7.59 1czfA1 ALA 38 HA -2.31 0.02 0.37 -0.75 4.34 1.67 1czfA1 ALA 38 HB3 -0.28 0.03 0.05 -0.04 1.41 1.16 1czfA1 LYS 39 H -0.23 0.45 -0.10 -0.55 8.42 7.98 1czfA1 LYS 39 HA -0.14 0.21 0.48 -0.75 4.32 4.11 1czfA1 LYS 39 HB2 -0.10 -0.04 0.20 -0.04 1.87 1.90 1czfA1 LYS 39 HB3 -0.10 0.02 0.19 -0.04 1.79 1.86 1czfA1 LYS 39 HG2 -0.06 0.00 -0.15 -0.04 1.46 1.21 1czfA1 LYS 39 HG3 -0.06 0.06 0.11 -0.04 1.46 1.52 1czfA1 LYS 39 HD2 -0.04 -0.03 0.06 -0.04 1.69 1.63 1czfA1 LYS 39 HD3 -0.05 -0.03 0.02 -0.04 1.68 1.58 1czfA1 LYS 39 HE2 -0.03 0.01 -0.02 -0.04 2.99 2.90 1czfA1 LYS 39 HE3 -0.03 -0.01 0.00 -0.04 2.99 2.91 1czfA1 ALA 40 H -0.17 0.43 -0.12 -0.55 8.40 7.99 1czfA1 ALA 40 HA -0.06 0.04 0.46 -0.75 4.34 4.03 1czfA1 ALA 40 HB3 -0.05 -0.02 0.12 -0.04 1.41 1.41 1czfA1 GLY 41 H -0.26 0.55 -0.08 -0.55 8.43 8.09 1czfA1 GLY 41 HA2 0.04 0.12 0.69 -0.51 4.01 4.35 1czfA1 GLY 41 HA3 0.16 -0.03 0.29 -0.51 4.01 3.92 1czfA1 LYS 42 H -0.16 0.48 -0.12 -0.55 8.42 8.07 1czfA1 LYS 42 HA 0.12 -0.03 0.28 -0.75 4.32 3.94 1czfA1 LYS 42 HB2 -0.01 -0.06 -0.00 -0.04 1.87 1.76 1czfA1 LYS 42 HB3 -0.12 0.14 0.14 -0.04 1.79 1.91 1czfA1 LYS 42 HG2 -0.07 0.12 0.07 -0.04 1.46 1.54 1czfA1 LYS 42 HG3 -0.02 -0.03 -0.07 -0.04 1.46 1.29 1czfA1 LYS 42 HD2 -0.04 -0.05 -0.11 -0.04 1.69 1.45 1czfA1 LYS 42 HD3 -0.09 0.03 0.09 -0.04 1.68 1.67 1czfA1 LYS 42 HE2 -0.06 0.15 0.13 -0.04 2.99 3.18 1czfA1 LYS 42 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.90 1czfA1 ALA 43 H 0.00 0.16 -0.19 -0.55 8.40 7.83 1czfA1 ALA 43 HA 0.02 0.03 0.41 -0.75 4.34 4.04 1czfA1 ALA 43 HB3 0.01 0.00 0.08 -0.04 1.41 1.46 1czfA1 LYS 44 H 0.05 0.23 -0.18 -0.55 8.42 7.96 1czfA1 LYS 44 HA 0.03 0.07 0.54 -0.75 4.32 4.20 1czfA1 LYS 44 HB2 0.05 0.08 0.08 -0.04 1.87 2.03 1czfA1 LYS 44 HB3 0.03 -0.03 0.15 -0.04 1.79 1.90 1czfA1 LYS 44 HG2 0.02 -0.00 0.01 -0.04 1.46 1.45 1czfA1 LYS 44 HG3 0.03 -0.04 0.01 -0.04 1.46 1.42 1czfA1 LYS 44 HD2 0.03 0.01 0.03 -0.04 1.69 1.71 1czfA1 LYS 44 HD3 0.02 -0.01 0.04 -0.04 1.68 1.68 1czfA1 LYS 44 HE2 0.01 -0.01 0.01 -0.04 2.99 2.97 1czfA1 LYS 44 HE3 0.02 0.00 0.01 -0.04 2.99 2.98 1czfA1 CYS 45 H 0.06 0.47 -0.46 -0.55 8.50 8.02 1czfA1 CYS 45 HA 0.03 0.30 0.97 -0.75 4.58 5.13 1czfA1 CYS 45 HB2 0.11 0.03 0.06 -0.04 2.97 3.13 1czfA1 CYS 45 HB3 0.05 0.09 -0.06 -0.04 2.97 3.01 1czfA1 SER 46 H 0.01 0.62 0.34 -0.55 8.46 8.88 1czfA1 SER 46 HA 0.02 0.11 0.62 -0.75 4.49 4.49 1czfA1 SER 46 HB2 0.01 -0.07 0.06 -0.04 3.95 3.91 1czfA1 SER 46 HB3 0.01 0.02 0.05 -0.04 3.93 3.97 1czfA1 THR 47 H -0.00 0.47 0.19 -0.55 8.28 8.39 1czfA1 THR 47 HA 0.00 0.25 0.88 -0.75 4.39 4.77 1czfA1 THR 47 HB -0.02 -0.13 0.16 -0.04 4.32 4.29 1czfA1 THR 47 HG23 -0.02 -0.02 -0.12 -0.04 1.22 1.03 1czfA1 ILE 48 H 0.00 0.81 0.33 -0.55 8.25 8.84 1czfA1 ILE 48 HA -0.00 0.20 1.00 -0.75 4.18 4.63 1czfA1 ILE 48 HB 0.03 -0.02 0.20 -0.04 1.89 2.05 1czfA1 ILE 48 HG12 0.24 -0.00 -0.06 -0.04 1.49 1.62 1czfA1 ILE 48 HG13 0.07 0.05 -0.35 -0.04 1.21 0.94 1czfA1 ILE 48 HG23 0.21 -0.04 -0.21 -0.04 0.93 0.85 1czfA1 ILE 48 HD13 0.07 0.03 -0.02 -0.04 0.88 0.91 1czfA1 THR 49 H -0.10 0.77 0.35 -0.55 8.28 8.75 1czfA1 THR 49 HA -0.06 0.20 1.00 -0.75 4.39 4.78 1czfA1 THR 49 HB -0.08 -0.03 0.24 -0.04 4.32 4.40 1czfA1 THR 49 HG23 -0.03 -0.02 -0.15 -0.04 1.22 0.98 1czfA1 LEU 50 H -0.12 0.81 0.33 -0.55 8.37 8.84 1czfA1 LEU 50 HA 0.03 0.14 0.86 -0.75 4.35 4.62 1czfA1 LEU 50 HB2 -0.35 -0.06 0.29 -0.04 1.64 1.49 1czfA1 LEU 50 HB3 -0.10 -0.03 0.04 -0.04 1.64 1.51 1czfA1 LEU 50 HG -0.25 0.05 -0.18 -0.04 1.64 1.22 1czfA1 LEU 50 HD13 -0.85 -0.00 -0.09 -0.04 0.93 -0.05 1czfA1 LEU 50 HD23 0.00 0.01 -0.14 -0.04 0.89 0.73 1czfA1 ASN 51 H 0.03 0.63 0.17 -0.55 8.53 8.81 1czfA1 ASN 51 HA 0.04 0.14 0.89 -0.75 4.76 5.08 1czfA1 ASN 51 HB2 0.00 -0.05 -0.09 -0.04 2.88 2.70 1czfA1 ASN 51 HB3 0.01 0.03 0.04 -0.04 2.79 2.82 1czfA1 ASN 51 HD21 0.02 -0.01 -0.10 -0.04 7.03 6.89 1czfA1 ASN 51 HD22 0.02 -0.04 -0.11 -0.04 7.74 7.57 1czfA1 ASN 52 H 0.07 0.63 0.18 -0.55 8.53 8.86 1czfA1 ASN 52 HA 0.05 0.26 0.31 -0.75 4.76 4.63 1czfA1 ASN 52 HB2 0.02 0.06 -0.17 -0.04 2.88 2.75 1czfA1 ASN 52 HB3 0.02 0.01 0.26 -0.04 2.79 3.03 1czfA1 ASN 52 HD21 0.03 -0.03 -0.02 -0.04 7.03 6.97 1czfA1 ASN 52 HD22 0.03 0.02 -0.18 -0.04 7.74 7.56 1czfA1 ILE 53 H 0.04 0.03 -0.33 -0.55 8.25 7.44 1czfA1 ILE 53 HA 0.00 0.22 0.42 -0.75 4.18 4.07 1czfA1 ILE 53 HB 0.02 -0.02 -0.05 -0.04 1.89 1.80 1czfA1 ILE 53 HG12 0.03 -0.07 -0.68 -0.04 1.49 0.74 1czfA1 ILE 53 HG13 0.04 0.03 -0.40 -0.04 1.21 0.83 1czfA1 ILE 53 HG23 -0.03 -0.04 -0.38 -0.04 0.93 0.45 1czfA1 ILE 53 HD13 0.03 -0.01 -0.29 -0.04 0.88 0.56 1czfA1 GLU 54 H -0.03 0.23 0.19 -0.55 8.60 8.45 1czfA1 GLU 54 HA -0.12 0.14 0.79 -0.75 4.29 4.34 1czfA1 GLU 54 HB2 -0.02 0.06 0.05 -0.04 2.09 2.13 1czfA1 GLU 54 HB3 -0.02 -0.04 0.20 -0.04 1.99 2.09 1czfA1 GLU 54 HG2 -0.00 0.04 -0.37 -0.04 2.34 1.97 1czfA1 GLU 54 HG3 -0.01 -0.01 -0.18 -0.04 2.34 2.09 1czfA1 VAL 55 H -0.25 0.82 0.23 -0.55 8.24 8.50 1czfA1 VAL 55 HA -0.00 -0.05 0.62 -0.75 4.13 3.94 1czfA1 VAL 55 HB 0.24 -0.01 0.20 -0.04 2.12 2.51 1czfA1 VAL 55 HG13 0.17 0.04 -0.17 -0.04 0.97 0.98 1czfA1 VAL 55 HG23 -0.11 0.03 0.02 -0.04 0.95 0.86 1czfA1 PRO 56 HA 0.00 -0.02 0.43 -0.51 4.44 4.35 1czfA1 PRO 56 HB2 -0.05 0.07 -0.03 -0.04 2.28 2.23 1czfA1 PRO 56 HB3 -0.04 0.02 0.09 -0.04 2.02 2.05 1czfA1 PRO 56 HG2 -0.03 -0.03 0.11 -0.04 2.03 2.04 1czfA1 PRO 56 HG3 -0.02 0.06 0.14 -0.04 2.03 2.17 1czfA1 PRO 56 HD2 -0.00 0.10 0.16 -0.04 3.68 3.90 1czfA1 PRO 56 HD3 -0.01 0.10 0.38 -0.04 3.65 4.08 1czfA1 ALA 57 H -0.02 0.04 0.12 -0.55 8.40 8.00 1czfA1 ALA 57 HA 0.02 0.19 0.21 -0.75 4.34 4.01 1czfA1 ALA 57 HB3 -0.06 -0.00 -0.04 -0.04 1.41 1.27 1czfA1 GLY 58 H -0.31 0.20 0.05 -0.55 8.43 7.83 1czfA1 GLY 58 HA2 -2.92 -0.01 0.19 -0.51 4.01 0.75 1czfA1 GLY 58 HA3 -0.94 0.00 0.22 -0.51 4.01 2.78 1czfA1 THR 59 H -0.31 0.36 -0.24 -0.55 8.28 7.54 1czfA1 THR 59 HA -0.33 0.11 0.86 -0.75 4.39 4.28 1czfA1 THR 59 HB -0.05 0.10 -0.11 -0.04 4.32 4.21 1czfA1 THR 59 HG23 -0.04 0.01 -0.06 -0.04 1.22 1.09 1czfA1 THR 60 H 0.06 0.09 0.09 -0.55 8.28 7.96 1czfA1 THR 60 HA 0.24 0.33 0.69 -0.75 4.39 4.89 1czfA1 THR 60 HB 0.06 -0.12 -0.03 -0.04 4.32 4.19 1czfA1 THR 60 HG23 -0.07 -0.03 -0.58 -0.04 1.22 0.50 1czfA1 LEU 61 H 0.12 0.85 0.23 -0.55 8.37 9.03 1czfA1 LEU 61 HA 0.03 -0.02 0.62 -0.75 4.35 4.22 1czfA1 LEU 61 HB2 0.15 0.03 0.16 -0.04 1.64 1.94 1czfA1 LEU 61 HB3 0.12 -0.01 0.35 -0.04 1.64 2.06 1czfA1 LEU 61 HG 0.02 -0.00 -0.11 -0.04 1.64 1.51 1czfA1 LEU 61 HD13 -0.02 -0.01 -0.02 -0.04 0.93 0.85 1czfA1 LEU 61 HD23 0.19 -0.01 -0.03 -0.04 0.89 1.00 1czfA1 ASP 62 H -0.03 0.27 0.04 -0.55 8.40 8.13 1czfA1 ASP 62 HA -0.06 0.05 0.69 -0.75 4.63 4.56 1czfA1 ASP 62 HB2 -0.02 0.06 0.02 -0.04 2.71 2.73 1czfA1 ASP 62 HB3 -0.05 -0.00 0.21 -0.04 2.70 2.82 1czfA1 LEU 63 H -0.08 0.72 0.31 -0.55 8.37 8.77 1czfA1 LEU 63 HA -0.05 0.22 0.80 -0.75 4.35 4.56 1czfA1 LEU 63 HB2 -0.05 0.06 0.12 -0.04 1.64 1.73 1czfA1 LEU 63 HB3 -0.01 -0.02 0.16 -0.04 1.64 1.72 1czfA1 LEU 63 HG -0.06 -0.09 -0.47 -0.04 1.64 0.98 1czfA1 LEU 63 HD13 -0.04 -0.02 -0.10 -0.04 0.93 0.73 1czfA1 LEU 63 HD23 -0.07 0.03 -0.13 -0.04 0.89 0.68 1czfA1 THR 64 H -0.03 0.03 -0.30 -0.55 8.28 7.43 1czfA1 THR 64 HA 0.00 -0.07 0.62 -0.75 4.39 4.19 1czfA1 THR 64 HB 0.02 -0.02 -0.01 -0.04 4.32 4.27 1czfA1 THR 64 HG23 -0.00 0.00 -0.20 -0.04 1.22 0.98 1czfA1 GLY 65 H 0.02 0.04 0.03 -0.55 8.43 7.97 1czfA1 GLY 65 HA2 0.02 -0.03 0.24 -0.51 4.01 3.73 1czfA1 GLY 65 HA3 0.01 0.01 0.30 -0.51 4.01 3.82 1czfA1 LEU 66 H 0.02 0.49 -0.05 -0.55 8.37 8.28 1czfA1 LEU 66 HA 0.02 0.06 0.38 -0.75 4.35 4.05 1czfA1 LEU 66 HB2 0.03 -0.07 0.04 -0.04 1.64 1.60 1czfA1 LEU 66 HB3 0.03 0.08 -0.01 -0.04 1.64 1.69 1czfA1 LEU 66 HG 0.02 0.23 -0.01 -0.04 1.64 1.84 1czfA1 LEU 66 HD13 0.04 -0.05 -0.07 -0.04 0.93 0.80 1czfA1 LEU 66 HD23 0.01 -0.01 -0.11 -0.04 0.89 0.73 1czfA1 THR 67 H 0.03 0.22 0.17 -0.55 8.28 8.15 1czfA1 THR 67 HA 0.03 -0.05 0.56 -0.75 4.39 4.18 1czfA1 THR 67 HB 0.03 0.13 0.15 -0.04 4.32 4.58 1czfA1 THR 67 HG23 0.03 0.02 0.01 -0.04 1.22 1.24 1czfA1 SER 68 H 0.05 0.01 0.21 -0.55 8.46 8.17 1czfA1 SER 68 HA 0.09 0.34 0.52 -0.75 4.49 4.68 1czfA1 SER 68 HB2 0.11 -0.09 0.18 -0.04 3.95 4.11 1czfA1 SER 68 HB3 0.09 -0.05 0.14 -0.04 3.93 4.07 1czfA1 GLY 69 H 0.13 0.40 0.29 -0.55 8.43 8.70 1czfA1 GLY 69 HA2 0.07 0.10 0.50 -0.51 4.01 4.18 1czfA1 GLY 69 HA3 0.04 -0.04 0.53 -0.51 4.01 4.03 1czfA1 THR 70 H 0.05 0.30 -0.19 -0.55 8.28 7.89 1czfA1 THR 70 HA 0.03 0.19 0.53 -0.75 4.39 4.38 1czfA1 THR 70 HB 0.04 -0.17 0.01 -0.04 4.32 4.16 1czfA1 THR 70 HG23 0.03 -0.04 -0.32 -0.04 1.22 0.86 1czfA1 LYS 71 H 0.02 0.64 0.38 -0.55 8.42 8.90 1czfA1 LYS 71 HA 0.03 0.15 0.99 -0.75 4.32 4.74 1czfA1 LYS 71 HB2 0.01 -0.09 0.29 -0.04 1.87 2.03 1czfA1 LYS 71 HB3 0.01 -0.05 0.09 -0.04 1.79 1.80 1czfA1 LYS 71 HG2 0.02 -0.04 0.06 -0.04 1.46 1.46 1czfA1 LYS 71 HG3 0.01 0.23 0.14 -0.04 1.46 1.80 1czfA1 LYS 71 HD2 0.00 -0.05 0.05 -0.04 1.69 1.66 1czfA1 LYS 71 HD3 0.01 -0.07 0.01 -0.04 1.68 1.58 1czfA1 LYS 71 HE2 0.01 -0.04 0.01 -0.04 2.99 2.93 1czfA1 LYS 71 HE3 0.01 0.11 0.04 -0.04 2.99 3.11 1czfA1 VAL 72 H 0.03 0.76 0.39 -0.55 8.24 8.88 1czfA1 VAL 72 HA -0.02 0.26 1.06 -0.75 4.13 4.67 1czfA1 VAL 72 HB 0.07 -0.08 0.11 -0.04 2.12 2.18 1czfA1 VAL 72 HG13 -0.16 -0.02 -0.13 -0.04 0.97 0.62 1czfA1 VAL 72 HG23 0.03 0.02 -0.21 -0.04 0.95 0.75 1czfA1 ILE 73 H -0.08 0.81 0.40 -0.55 8.25 8.84 1czfA1 ILE 73 HA 0.02 0.28 1.06 -0.75 4.18 4.78 1czfA1 ILE 73 HB -0.03 -0.06 0.09 -0.04 1.89 1.85 1czfA1 ILE 73 HG12 0.01 0.01 -0.21 -0.04 1.49 1.26 1czfA1 ILE 73 HG13 -0.00 -0.04 -0.58 -0.04 1.21 0.55 1czfA1 ILE 73 HG23 0.00 -0.02 -0.30 -0.04 0.93 0.58 1czfA1 ILE 73 HD13 -0.01 -0.00 -0.14 -0.04 0.88 0.69 1czfA1 PHE 74 H 0.18 0.68 0.43 -0.55 8.34 9.08 1czfA1 PHE 74 HA 0.05 0.12 0.90 -0.75 4.62 4.93 1czfA1 PHE 74 HB2 -0.15 -0.01 0.27 -0.04 3.15 3.22 1czfA1 PHE 74 HB3 0.11 0.03 0.01 -0.04 3.06 3.17 1czfA1 PHE 74 HD2 0.11 0.11 0.01 -0.04 7.28 7.47 1czfA1 PHE 74 HE2 0.21 0.00 -0.07 -0.04 7.38 7.49 1czfA1 PHE 74 HZ 0.21 0.01 -0.09 -0.04 7.32 7.41 1czfA1 GLU 75 H 0.10 0.81 0.37 -0.55 8.60 9.34 1czfA1 GLU 75 HA 0.12 0.10 1.01 -0.75 4.29 4.78 1czfA1 GLU 75 HB2 0.04 0.04 -0.12 -0.04 2.09 2.00 1czfA1 GLU 75 HB3 0.05 -0.02 -0.07 -0.04 1.99 1.91 1czfA1 GLU 75 HG2 0.04 -0.01 -0.00 -0.04 2.34 2.33 1czfA1 GLU 75 HG3 0.02 0.00 -0.28 -0.04 2.34 2.04 1czfA1 GLY 76 H 0.12 0.15 0.11 -0.55 8.43 8.26 1czfA1 GLY 76 HA2 0.07 0.09 0.32 -0.51 4.01 3.99 1czfA1 GLY 76 HA3 0.07 0.01 0.50 -0.51 4.01 4.08 1czfA1 THR 77 H 0.05 0.14 0.25 -0.55 8.28 8.17 1czfA1 THR 77 HA 0.08 0.39 1.18 -0.75 4.39 5.29 1czfA1 THR 77 HB 0.03 -0.03 0.13 -0.04 4.32 4.41 1czfA1 THR 77 HG23 0.03 0.00 -0.15 -0.04 1.22 1.06 1czfA1 THR 78 H 0.11 0.62 0.48 -0.55 8.28 8.95 1czfA1 THR 78 HA -0.00 0.26 0.87 -0.75 4.39 4.76 1czfA1 THR 78 HB 0.17 -0.13 0.27 -0.04 4.32 4.59 1czfA1 THR 78 HG23 -0.12 0.02 -0.03 -0.04 1.22 1.04 1czfA1 THR 79 H -0.20 0.60 0.37 -0.55 8.28 8.50 1czfA1 THR 79 HA -0.05 0.38 0.95 -0.75 4.39 4.92 1czfA1 THR 79 HB 0.03 -0.01 0.10 -0.04 4.32 4.40 1czfA1 THR 79 HG23 0.02 0.00 -0.18 -0.04 1.22 1.01 1czfA1 PHE 80 H 0.24 0.32 0.19 -0.55 8.34 8.53 1czfA1 PHE 80 HA 0.14 0.16 0.95 -0.75 4.62 5.11 1czfA1 PHE 80 HB2 0.30 0.04 0.05 -0.04 3.15 3.50 1czfA1 PHE 80 HB3 0.27 0.11 0.04 -0.04 3.06 3.43 1czfA1 PHE 80 HD2 0.15 0.10 -0.03 -0.04 7.28 7.47 1czfA1 PHE 80 HE2 0.14 0.02 -0.24 -0.04 7.38 7.25 1czfA1 PHE 80 HZ 0.32 -0.06 -0.17 -0.04 7.32 7.37 1czfA1 GLN 81 H 0.19 0.65 0.14 -0.55 8.47 8.90 1czfA1 GLN 81 HA 0.13 0.04 0.57 -0.75 4.36 4.35 1czfA1 GLN 81 HB2 0.07 -0.07 0.06 -0.04 2.15 2.18 1czfA1 GLN 81 HB3 0.06 0.03 0.10 -0.04 2.02 2.17 1czfA1 GLN 81 HG2 0.04 0.01 -0.01 -0.04 2.40 2.41 1czfA1 GLN 81 HG3 0.05 0.12 -0.10 -0.04 2.39 2.42 1czfA1 GLN 81 HE21 -0.00 -0.00 0.02 -0.04 6.97 6.95 1czfA1 GLN 81 HE22 0.01 0.02 -0.00 -0.04 7.69 7.68 1czfA1 TYR 82 H 0.13 0.07 0.19 -0.55 8.29 8.13 1czfA1 TYR 82 HA -0.08 0.16 0.56 -0.75 4.56 4.45 1czfA1 TYR 82 HB2 -0.36 0.04 0.11 -0.04 3.06 2.80 1czfA1 TYR 82 HB3 -0.20 -0.06 0.14 -0.04 2.98 2.83 1czfA1 TYR 82 HD2 -1.19 -0.02 -0.10 -0.04 7.15 5.81 1czfA1 TYR 82 HE2 -1.08 -0.01 -0.23 -0.04 6.85 5.49 1czfA1 GLU 83 H -0.23 0.38 0.19 -0.55 8.60 8.40 1czfA1 GLU 83 HA -0.36 0.04 0.44 -0.75 4.29 3.66 1czfA1 GLU 83 HB2 -0.12 0.09 -0.12 -0.04 2.09 1.90 1czfA1 GLU 83 HB3 -0.10 -0.12 -0.06 -0.04 1.99 1.66 1czfA1 GLU 83 HG2 -0.01 0.11 -0.32 -0.04 2.34 2.07 1czfA1 GLU 83 HG3 -0.09 -0.03 0.06 -0.04 2.34 2.24 1czfA1 GLU 84 H -0.11 0.12 0.11 -0.55 8.60 8.17 1czfA1 GLU 84 HA 0.41 0.33 0.80 -0.75 4.29 5.08 1czfA1 GLU 84 HB2 0.06 -0.07 0.26 -0.04 2.09 2.30 1czfA1 GLU 84 HB3 0.15 -0.07 0.13 -0.04 1.99 2.16 1czfA1 GLU 84 HG2 0.22 0.18 0.08 -0.04 2.34 2.78 1czfA1 GLU 84 HG3 0.02 -0.04 0.06 -0.04 2.34 2.34 1czfA1 TRP 85 H 0.33 0.47 0.11 -0.55 7.97 8.34 1czfA1 TRP 85 HA 0.01 0.08 0.41 -0.75 4.62 4.38 1czfA1 TRP 85 HB2 -0.01 -0.06 0.07 -0.04 3.23 3.19 1czfA1 TRP 85 HB3 0.01 0.11 -0.31 -0.04 3.23 3.00 1czfA1 TRP 85 HD1 0.12 0.37 -0.18 -0.04 7.22 7.50 1czfA1 TRP 85 HE1 0.06 0.07 -0.04 -0.04 10.20 10.25 1czfA1 TRP 85 HE3 -0.04 0.01 -0.07 -0.04 7.59 7.44 1czfA1 TRP 85 HZ2 -0.04 0.20 -0.32 -0.04 7.44 7.24 1czfA1 TRP 85 HZ3 -0.07 0.06 -0.27 -0.04 7.13 6.81 1czfA1 TRP 85 HH2 -0.10 0.13 -0.60 -0.04 7.19 6.58 1czfA1 ALA 86 H 0.09 0.15 0.04 -0.55 8.40 8.13 1czfA1 ALA 86 HA -0.29 0.29 0.32 -0.75 4.34 3.90 1czfA1 ALA 86 HB3 -0.07 0.01 0.04 -0.04 1.41 1.35 1czfA1 GLY 87 H -1.97 0.02 -0.30 -0.55 8.43 5.63 1czfA1 GLY 87 HA2 -2.39 0.11 0.01 -0.51 4.01 1.23 1czfA1 GLY 87 HA3 -1.00 0.10 0.55 -0.51 4.01 3.15 1czfA1 PRO 88 HA -0.72 0.38 0.32 -0.51 4.44 3.91 1czfA1 PRO 88 HB2 -0.72 0.18 -0.18 -0.04 2.28 1.52 1czfA1 PRO 88 HB3 -1.78 -0.04 -0.14 -0.04 2.02 0.01 1czfA1 PRO 88 HG2 -0.44 -0.03 -0.25 -0.04 2.03 1.27 1czfA1 PRO 88 HG3 -1.04 -0.03 -0.03 -0.04 2.03 0.89 1czfA1 PRO 88 HD2 -0.24 0.05 -0.04 -0.04 3.68 3.41 1czfA1 PRO 88 HD3 -0.64 0.09 0.28 -0.04 3.65 3.34 1czfA1 LEU 89 H -0.46 0.54 0.31 -0.55 8.37 8.22 1czfA1 LEU 89 HA 0.07 0.12 0.54 -0.75 4.35 4.32 1czfA1 LEU 89 HB2 -0.38 0.09 0.22 -0.04 1.64 1.54 1czfA1 LEU 89 HB3 -0.89 -0.07 0.06 -0.04 1.64 0.69 1czfA1 LEU 89 HG -0.51 0.12 -0.05 -0.04 1.64 1.16 1czfA1 LEU 89 HD13 -0.83 -0.02 -0.01 -0.04 0.93 0.03 1czfA1 LEU 89 HD23 -0.01 -0.00 -0.02 -0.04 0.89 0.81 1czfA1 ILE 90 H -0.43 0.61 0.18 -0.55 8.25 8.06 1czfA1 ILE 90 HA -0.12 0.14 0.87 -0.75 4.18 4.31 1czfA1 ILE 90 HB -0.74 -0.06 0.04 -0.04 1.89 1.10 1czfA1 ILE 90 HG12 0.27 0.06 -0.05 -0.04 1.49 1.73 1czfA1 ILE 90 HG13 0.07 -0.05 -0.43 -0.04 1.21 0.76 1czfA1 ILE 90 HG23 -0.30 0.00 -0.10 -0.04 0.93 0.49 1czfA1 ILE 90 HD13 0.35 -0.02 -0.10 -0.04 0.88 1.07 1czfA1 SER 91 H -0.24 0.62 0.24 -0.55 8.46 8.54 1czfA1 SER 91 HA -0.34 0.13 0.94 -0.75 4.49 4.46 1czfA1 SER 91 HB2 -0.21 0.03 -0.13 -0.04 3.95 3.61 1czfA1 SER 91 HB3 -0.11 -0.08 0.02 -0.04 3.93 3.72 1czfA1 MET 92 H -0.14 0.72 0.29 -0.55 8.47 8.80 1czfA1 MET 92 HA -0.04 0.24 0.50 -0.75 4.52 4.47 1czfA1 SER 93 H 0.03 0.58 0.33 -0.55 8.46 8.85 1czfA1 SER 93 HA 0.07 0.06 0.23 -0.75 4.49 4.10 1czfA1 SER 93 HB2 0.05 0.09 0.13 -0.04 3.95 4.18 1czfA1 SER 93 HB3 0.07 0.23 -0.07 -0.04 3.93 4.11 1czfA1 GLY 94 H 0.03 0.66 0.43 -0.55 8.43 9.00 1czfA1 GLY 94 HA2 0.01 0.02 0.38 -0.51 4.01 3.92 1czfA1 GLY 94 HA3 0.02 0.24 0.64 -0.51 4.01 4.40 1czfA1 GLU 95 H -0.00 0.23 0.13 -0.55 8.60 8.41 1czfA1 GLU 95 HA -0.14 0.44 1.02 -0.75 4.29 4.85 1czfA1 GLU 95 HB2 -0.09 -0.06 0.04 -0.04 2.09 1.94 1czfA1 GLU 95 HB3 -0.11 -0.02 0.08 -0.04 1.99 1.89 1czfA1 GLU 95 HG2 -1.08 0.04 0.02 -0.04 2.34 1.28 1czfA1 GLU 95 HG3 -0.27 -0.02 -0.04 -0.04 2.34 1.98 1czfA1 HIS 96 H -0.28 0.49 0.21 -0.55 8.41 8.29 1czfA1 HIS 96 HA 0.01 0.42 0.52 -0.75 4.63 4.82 1czfA1 HIS 96 HB2 0.01 -0.08 0.15 -0.04 3.26 3.31 1czfA1 HIS 96 HB3 0.01 0.01 0.23 -0.04 3.20 3.41 1czfA1 HIS 96 HD2 0.01 0.09 0.13 -0.04 6.97 7.15 1czfA1 HIS 96 HE1 0.01 -0.02 -0.01 -0.04 7.75 7.68 1czfA1 ILE 97 H 0.02 0.10 -0.18 -0.55 8.25 7.64 1czfA1 ILE 97 HA 0.05 0.41 0.73 -0.75 4.18 4.63 1czfA1 ILE 97 HB 0.04 -0.12 -0.12 -0.04 1.89 1.65 1czfA1 ILE 97 HG12 0.02 -0.09 -0.76 -0.04 1.49 0.61 1czfA1 ILE 97 HG13 0.04 -0.03 -0.40 -0.04 1.21 0.78 1czfA1 ILE 97 HG23 0.06 0.02 -0.22 -0.04 0.93 0.75 1czfA1 ILE 97 HD13 0.04 0.00 -0.32 -0.04 0.88 0.57 1czfA1 THR 98 H 0.04 0.68 0.28 -0.55 8.28 8.72 1czfA1 THR 98 HA 0.02 0.08 1.01 -0.75 4.39 4.74 1czfA1 THR 98 HB 0.02 0.00 0.20 -0.04 4.32 4.51 1czfA1 THR 98 HG23 0.02 -0.02 -0.11 -0.04 1.22 1.06 1czfA1 VAL 99 H 0.03 0.76 0.32 -0.55 8.24 8.80 1czfA1 VAL 99 HA 0.10 0.28 1.11 -0.75 4.13 4.86 1czfA1 VAL 99 HB 0.09 -0.10 0.33 -0.04 2.12 2.41 1czfA1 VAL 99 HG13 0.37 -0.01 -0.06 -0.04 0.97 1.22 1czfA1 VAL 99 HG23 0.15 0.01 -0.12 -0.04 0.95 0.96 1czfA1 THR 100 H 0.10 0.76 0.51 -0.55 8.28 9.10 1czfA1 THR 100 HA 0.05 0.32 0.94 -0.75 4.39 4.95 1czfA1 THR 100 HB 0.02 -0.01 0.12 -0.04 4.32 4.41 1czfA1 THR 100 HG23 0.02 -0.01 -0.24 -0.04 1.22 0.95 1czfA1 GLY 101 H -0.04 0.35 0.22 -0.55 8.43 8.41 1czfA1 GLY 101 HA2 -0.23 0.06 1.04 -0.51 4.01 4.36 1czfA1 GLY 101 HA3 -1.08 0.03 0.34 -0.51 4.01 2.79 1czfA1 ALA 102 H -0.03 0.70 0.30 -0.55 8.40 8.83 1czfA1 ALA 102 HA 0.04 0.04 0.53 -0.75 4.34 4.20 1czfA1 ALA 102 HB3 0.06 -0.03 0.13 -0.04 1.41 1.53 1czfA1 SER 103 H 0.06 0.08 0.19 -0.55 8.46 8.24 1czfA1 SER 103 HA 0.10 0.08 0.49 -0.75 4.49 4.40 1czfA1 SER 103 HB2 0.04 0.02 0.18 -0.04 3.95 4.15 1czfA1 SER 103 HB3 0.04 -0.02 0.16 -0.04 3.93 4.07 1czfA1 GLY 104 H 0.06 0.16 0.22 -0.55 8.43 8.32 1czfA1 GLY 104 HA2 -0.00 -0.00 0.36 -0.51 4.01 3.85 1czfA1 GLY 104 HA3 0.03 0.05 0.44 -0.51 4.01 4.02 1czfA1 HIS 105 H 0.24 0.45 -0.32 -0.55 8.41 8.23 1czfA1 HIS 105 HA 0.06 0.06 0.36 -0.75 4.63 4.36 1czfA1 HIS 105 HB2 0.13 0.02 -0.10 -0.04 3.26 3.28 1czfA1 HIS 105 HB3 0.09 0.01 0.11 -0.04 3.20 3.37 1czfA1 HIS 105 HD2 0.08 -0.01 -0.22 -0.04 6.97 6.78 1czfA1 HIS 105 HE1 0.05 0.44 0.06 -0.04 7.75 8.25 1czfA1 LEU 106 H 0.11 0.64 0.33 -0.55 8.37 8.90 1czfA1 LEU 106 HA -0.24 0.18 0.75 -0.75 4.35 4.29 1czfA1 LEU 106 HB2 -0.10 0.14 -0.23 -0.04 1.64 1.41 1czfA1 LEU 106 HB3 -0.02 -0.07 -0.00 -0.04 1.64 1.51 1czfA1 LEU 106 HG -0.01 -0.05 -0.39 -0.04 1.64 1.14 1czfA1 LEU 106 HD13 -0.08 0.04 -0.12 -0.04 0.93 0.73 1czfA1 LEU 106 HD23 -0.02 -0.02 -0.07 -0.04 0.89 0.73 1czfA1 ILE 107 H 0.00 0.79 0.35 -0.55 8.25 8.84 1czfA1 ILE 107 HA 0.15 0.13 0.99 -0.75 4.18 4.69 1czfA1 ILE 107 HB 0.08 -0.05 0.24 -0.04 1.89 2.12 1czfA1 ILE 107 HG12 0.04 0.03 0.02 -0.04 1.49 1.54 1czfA1 ILE 107 HG13 0.08 -0.04 -0.15 -0.04 1.21 1.06 1czfA1 ILE 107 HG23 0.47 -0.00 -0.08 -0.04 0.93 1.28 1czfA1 ILE 107 HD13 -0.56 -0.01 -0.08 -0.04 0.88 0.19 1czfA1 ASN 108 H 0.10 0.63 0.13 -0.55 8.53 8.84 1czfA1 ASN 108 HA 0.02 0.05 1.05 -0.75 4.76 5.13 1czfA1 ASN 108 HB2 0.02 -0.02 0.00 -0.04 2.88 2.85 1czfA1 ASN 108 HB3 0.06 0.07 0.18 -0.04 2.79 3.05 1czfA1 ASN 108 HD21 0.00 -0.03 -0.01 -0.04 7.03 6.95 1czfA1 ASN 108 HD22 0.01 0.04 -0.01 -0.04 7.74 7.73 1czfA1 CYS 109 H -0.03 0.58 0.23 -0.55 8.50 8.74 1czfA1 CYS 109 HA 0.38 0.11 0.55 -0.75 4.58 4.86 1czfA1 CYS 109 HB2 -0.18 0.20 -0.16 -0.04 2.97 2.79 1czfA1 CYS 109 HB3 -0.24 0.01 0.09 -0.04 2.97 2.79 1czfA1 ASP 110 H 0.01 0.03 -0.15 -0.55 8.40 7.75 1czfA1 ASP 110 HA -0.09 -0.10 0.30 -0.75 4.63 3.99 1czfA1 ASP 110 HB2 0.03 0.01 -0.05 -0.04 2.71 2.65 1czfA1 ASP 110 HB3 0.08 0.18 0.01 -0.04 2.70 2.93 1czfA1 GLY 111 H -0.32 0.34 0.02 -0.55 8.43 7.92 1czfA1 GLY 111 HA2 0.06 0.14 0.26 -0.51 4.01 3.96 1czfA1 GLY 111 HA3 -0.75 0.12 -0.05 -0.51 4.01 2.82 1czfA1 ALA 112 H -0.88 0.03 -0.38 -0.55 8.40 6.63 1czfA1 ALA 112 HA -0.49 0.10 0.36 -0.75 4.34 3.55 1czfA1 ALA 112 HB3 -0.12 -0.00 -0.00 -0.04 1.41 1.25 1czfA1 ARG 113 H -0.26 0.35 -0.36 -0.55 8.46 7.63 1czfA1 ARG 113 HA -0.38 0.03 0.43 -0.75 4.34 3.67 1czfA1 ARG 113 HB2 -0.66 0.11 0.09 -0.04 1.90 1.41 1czfA1 ARG 113 HB3 -1.21 -0.06 0.04 -0.04 1.80 0.53 1czfA1 ARG 113 HG2 -0.40 -0.05 0.05 -0.04 1.67 1.22 1czfA1 ARG 113 HG3 -0.26 -0.03 0.08 -0.04 1.67 1.42 1czfA1 ARG 113 HD2 -0.42 -0.08 0.05 -0.04 3.22 2.73 1czfA1 ARG 113 HD3 -0.19 -0.08 0.05 -0.04 3.22 2.96 1czfA1 TRP 114 H 0.16 0.37 -0.24 -0.55 7.97 7.71 1czfA1 TRP 114 HA 0.18 0.12 0.81 -0.75 4.62 4.98 1czfA1 TRP 114 HB2 -0.09 0.06 0.16 -0.04 3.23 3.31 1czfA1 TRP 114 HB3 0.08 -0.00 -0.10 -0.04 3.23 3.17 1czfA1 TRP 114 HD1 0.06 0.09 -0.01 -0.04 7.22 7.31 1czfA1 TRP 114 HE1 -0.09 0.33 0.22 -0.04 10.20 10.62 1czfA1 TRP 114 HE3 -0.19 -0.03 0.11 -0.04 7.59 7.44 1czfA1 TRP 114 HZ2 0.11 -0.01 0.15 -0.04 7.44 7.64 1czfA1 TRP 114 HZ3 -0.02 0.36 -0.04 -0.04 7.13 7.38 1czfA1 TRP 114 HH2 0.16 0.06 -0.08 -0.04 7.19 7.29 1czfA1 TRP 115 H -0.01 0.36 0.13 -0.55 7.97 7.92 1czfA1 TRP 115 HA 0.12 -0.08 0.41 -0.75 4.62 4.32 1czfA1 TRP 115 HB2 0.06 0.09 0.08 -0.04 3.23 3.42 1czfA1 TRP 115 HB3 0.03 -0.06 -0.40 -0.04 3.23 2.76 1czfA1 TRP 115 HD1 0.07 0.15 0.09 -0.04 7.22 7.48 1czfA1 TRP 115 HE1 -0.03 0.30 0.03 -0.04 10.20 10.46 1czfA1 TRP 115 HE3 0.01 0.20 -0.17 -0.04 7.59 7.58 1czfA1 TRP 115 HZ2 -0.05 0.06 -0.17 -0.04 7.44 7.23 1czfA1 TRP 115 HZ3 -0.02 -0.02 -0.41 -0.04 7.13 6.64 1czfA1 TRP 115 HH2 -0.03 -0.16 -0.07 -0.04 7.19 6.88 1czfA1 ASP 116 H 0.28 -0.07 0.30 -0.55 8.40 8.36 1czfA1 ASP 116 HA 0.16 0.22 0.80 -0.75 4.63 5.06 1czfA1 ASP 116 HB2 0.12 -0.06 0.20 -0.04 2.71 2.92 1czfA1 ASP 116 HB3 0.16 0.21 -0.07 -0.04 2.70 2.95 1czfA1 GLY 117 H 0.18 0.46 0.25 -0.55 8.43 8.78 1czfA1 GLY 117 HA2 0.31 0.07 0.27 -0.51 4.01 4.15 1czfA1 GLY 117 HA3 0.16 0.09 0.45 -0.51 4.01 4.19 1czfA1 LYS 118 H 0.17 -0.03 -0.27 -0.55 8.42 7.73 1czfA1 LYS 118 HA 0.03 0.21 0.87 -0.75 4.32 4.68 1czfA1 LYS 118 HB2 0.10 0.17 -0.31 -0.04 1.87 1.79 1czfA1 LYS 118 HB3 0.06 -0.16 -0.28 -0.04 1.79 1.37 1czfA1 LYS 118 HG2 0.05 0.00 -0.20 -0.04 1.46 1.27 1czfA1 LYS 118 HG3 0.08 0.17 -0.40 -0.04 1.46 1.28 1czfA1 LYS 118 HD2 0.08 -0.03 -0.07 -0.04 1.69 1.62 1czfA1 LYS 118 HD3 0.05 -0.10 -0.11 -0.04 1.68 1.48 1czfA1 LYS 118 HE2 0.04 -0.04 -0.04 -0.04 2.99 2.91 1czfA1 LYS 118 HE3 0.06 0.16 -0.01 -0.04 2.99 3.16 1czfA1 GLY 119 H 0.17 -0.03 0.03 -0.55 8.43 8.05 1czfA1 GLY 119 HA2 0.12 0.16 0.32 -0.51 4.01 4.10 1czfA1 GLY 119 HA3 0.10 -0.13 0.18 -0.51 4.01 3.65 1czfA1 THR 120 H 0.04 0.03 0.18 -0.55 8.28 7.97 1czfA1 THR 120 HA 0.02 0.12 0.52 -0.75 4.39 4.29 1czfA1 THR 120 HB 0.02 -0.00 0.09 -0.04 4.32 4.39 1czfA1 THR 120 HG23 0.01 -0.02 0.04 -0.04 1.22 1.21 1czfA1 SER 121 H 0.05 0.44 -0.36 -0.55 8.46 8.04 1czfA1 SER 121 HA 0.04 0.14 0.71 -0.75 4.49 4.63 1czfA1 SER 121 HB2 0.03 0.10 0.03 -0.04 3.95 4.07 1czfA1 SER 121 HB3 0.04 -0.11 0.09 -0.04 3.93 3.90 1czfA1 GLY 122 H 0.05 0.04 0.04 -0.55 8.43 8.01 1czfA1 GLY 122 HA2 0.07 -0.04 0.25 -0.51 4.01 3.78 1czfA1 GLY 122 HA3 0.09 0.03 0.41 -0.51 4.01 4.02 1czfA1 LYS 123 H 0.13 0.07 0.10 -0.55 8.42 8.17 1czfA1 LYS 123 HA 0.13 -0.06 0.36 -0.75 4.32 4.00 1czfA1 LYS 123 HB2 0.25 0.11 0.02 -0.04 1.87 2.20 1czfA1 LYS 123 HB3 0.27 0.03 -0.03 -0.04 1.79 2.02 1czfA1 LYS 123 HG2 0.14 -0.08 0.06 -0.04 1.46 1.53 1czfA1 LYS 123 HG3 0.14 -0.06 0.09 -0.04 1.46 1.59 1czfA1 LYS 123 HD2 0.24 0.26 0.09 -0.04 1.69 2.24 1czfA1 LYS 123 HD3 0.23 -0.07 0.05 -0.04 1.68 1.84 1czfA1 LYS 123 HE2 0.09 -0.12 0.03 -0.04 2.99 2.94 1czfA1 LYS 123 HE3 0.10 -0.02 -0.01 -0.04 2.99 3.03 1czfA1 LYS 124 H 0.14 0.02 0.08 -0.55 8.42 8.11 1czfA1 LYS 124 HA 0.07 0.14 0.41 -0.75 4.32 4.19 1czfA1 LYS 124 HB2 0.14 -0.09 -0.18 -0.04 1.87 1.69 1czfA1 LYS 124 HB3 0.07 -0.04 -0.28 -0.04 1.79 1.49 1czfA1 LYS 124 HG2 0.08 -0.01 -0.01 -0.04 1.46 1.48 1czfA1 LYS 124 HG3 0.08 -0.03 -0.07 -0.04 1.46 1.40 1czfA1 LYS 124 HD2 0.04 -0.05 -0.08 -0.04 1.69 1.56 1czfA1 LYS 124 HD3 0.05 0.16 -0.12 -0.04 1.68 1.72 1czfA1 LYS 124 HE2 0.05 0.03 -0.06 -0.04 2.99 2.97 1czfA1 LYS 124 HE3 0.05 -0.07 -0.04 -0.04 2.99 2.89 1czfA1 LYS 125 H -0.02 0.21 0.07 -0.55 8.42 8.12 1czfA1 LYS 125 HA -0.38 0.13 0.85 -0.75 4.32 4.17 1czfA1 LYS 125 HB2 -0.09 -0.05 -0.12 -0.04 1.87 1.57 1czfA1 LYS 125 HB3 -0.28 -0.06 -0.20 -0.04 1.79 1.21 1czfA1 LYS 125 HG2 0.32 -0.07 -0.31 -0.04 1.46 1.37 1czfA1 LYS 125 HG3 0.14 0.30 -0.32 -0.04 1.46 1.53 1czfA1 LYS 125 HD2 0.14 0.06 -0.02 -0.04 1.69 1.83 1czfA1 LYS 125 HD3 0.30 0.02 -0.11 -0.04 1.68 1.84 1czfA1 LYS 125 HE2 0.27 -0.44 0.06 -0.04 2.99 2.84 1czfA1 LYS 125 HE3 0.31 0.27 -0.15 -0.04 2.99 3.38 1czfA1 PRO 126 HA -0.69 0.05 0.11 -0.51 4.44 3.39 1czfA1 PRO 126 HB2 -0.95 0.04 -0.16 -0.04 2.28 1.16 1czfA1 PRO 126 HB3 -1.72 -0.09 -0.20 -0.04 2.02 -0.03 1czfA1 PRO 126 HG2 -1.09 -0.05 0.06 -0.04 2.03 0.92 1czfA1 PRO 126 HG3 -0.73 0.04 0.05 -0.04 2.03 1.36 1czfA1 PRO 126 HD2 -2.03 0.01 0.20 -0.04 3.68 1.82 1czfA1 PRO 126 HD3 -0.74 0.17 0.26 -0.04 3.65 3.30 1czfA1 LYS 127 H -0.45 0.56 0.12 -0.55 8.42 8.10 1czfA1 LYS 127 HA -0.18 0.03 0.49 -0.75 4.32 3.90 1czfA1 LYS 127 HB2 -0.19 0.01 0.06 -0.04 1.87 1.71 1czfA1 LYS 127 HB3 0.03 -0.04 -0.04 -0.04 1.79 1.69 1czfA1 LYS 127 HG2 -0.06 -0.10 0.03 -0.04 1.46 1.29 1czfA1 LYS 127 HG3 -0.11 0.19 0.10 -0.04 1.46 1.59 1czfA1 LYS 127 HD2 0.22 0.02 -0.04 -0.04 1.69 1.84 1czfA1 LYS 127 HD3 0.11 -0.07 -0.06 -0.04 1.68 1.62 1czfA1 LYS 127 HE2 -0.00 -0.01 -0.00 -0.04 2.99 2.93 1czfA1 LYS 127 HE3 0.02 0.05 -0.00 -0.04 2.99 3.02 1czfA1 PHE 128 H -0.05 0.62 0.23 -0.55 8.34 8.59 1czfA1 PHE 128 HA -0.42 0.03 0.68 -0.75 4.62 4.16 1czfA1 PHE 128 HB2 -0.31 -0.04 0.12 -0.04 3.15 2.87 1czfA1 PHE 128 HB3 -0.30 0.18 0.47 -0.04 3.06 3.36 1czfA1 PHE 128 HD2 -0.59 -0.02 -0.05 -0.04 7.28 6.58 1czfA1 PHE 128 HE2 -0.26 -0.01 -0.13 -0.04 7.38 6.94 1czfA1 PHE 128 HZ 0.02 -0.02 -0.10 -0.04 7.32 7.18 1czfA1 PHE 129 H -0.17 0.72 0.25 -0.55 8.34 8.59 1czfA1 PHE 129 HA -0.54 0.39 1.04 -0.75 4.62 4.75 1czfA1 PHE 129 HB2 -1.90 -0.05 -0.23 -0.04 3.15 0.94 1czfA1 PHE 129 HB3 -0.73 -0.06 0.00 -0.04 3.06 2.23 1czfA1 PHE 129 HD2 -0.20 -0.05 -0.53 -0.04 7.28 6.46 1czfA1 PHE 129 HE2 0.20 -0.00 -0.18 -0.04 7.38 7.36 1czfA1 PHE 129 HZ 0.21 0.02 -0.15 -0.04 7.32 7.35 1czfA1 TYR 130 H -0.28 0.69 0.36 -0.55 8.29 8.50 1czfA1 TYR 130 HA -0.22 0.13 0.88 -0.75 4.56 4.60 1czfA1 TYR 130 HB2 -0.35 0.00 0.31 -0.04 3.06 2.98 1czfA1 TYR 130 HB3 -0.81 -0.04 0.08 -0.04 2.98 2.18 1czfA1 TYR 130 HD2 -0.19 -0.02 -0.22 -0.04 7.15 6.68 1czfA1 TYR 130 HE2 -0.04 -0.01 -0.10 -0.04 6.85 6.66 1czfA1 ALA 131 H 0.33 0.82 0.21 -0.55 8.40 9.22 1czfA1 ALA 131 HA 0.38 0.23 0.79 -0.75 4.34 4.98 1czfA1 ALA 131 HB3 0.49 -0.01 0.09 -0.04 1.41 1.94 1czfA1 HIS 132 H 0.14 0.34 -0.31 -0.55 8.41 8.03 1czfA1 HIS 132 HA 0.05 0.28 0.94 -0.75 4.63 5.14 1czfA1 HIS 132 HB2 0.05 -0.00 0.12 -0.04 3.26 3.38 1czfA1 HIS 132 HB3 -0.00 0.04 0.05 -0.04 3.20 3.24 1czfA1 HIS 132 HD2 0.01 0.04 -0.59 -0.04 6.97 6.39 1czfA1 HIS 132 HE1 -1.12 0.02 -0.07 -0.04 7.75 6.54 1czfA1 GLY 133 H 0.11 0.58 0.35 -0.55 8.43 8.92 1czfA1 GLY 133 HA2 0.05 -0.01 0.42 -0.51 4.01 3.96 1czfA1 GLY 133 HA3 0.06 0.10 0.64 -0.51 4.01 4.31 1czfA1 LEU 134 H 0.12 0.13 -0.43 -0.55 8.37 7.64 1czfA1 LEU 134 HA 0.05 0.18 0.70 -0.75 4.35 4.52 1czfA1 LEU 134 HB2 0.15 0.17 -0.16 -0.04 1.64 1.77 1czfA1 LEU 134 HB3 0.12 -0.06 0.05 -0.04 1.64 1.71 1czfA1 LEU 134 HG 0.03 -0.03 -0.16 -0.04 1.64 1.44 1czfA1 LEU 134 HD13 0.08 0.04 -0.27 -0.04 0.93 0.73 1czfA1 LEU 134 HD23 0.20 -0.00 -0.14 -0.04 0.89 0.90 1czfA1 ASP 135 H -0.01 0.48 -0.12 -0.55 8.40 8.20 1czfA1 ASP 135 HA -0.01 0.26 0.83 -0.75 4.63 4.95 1czfA1 ASP 135 HB2 -0.07 0.00 0.05 -0.04 2.71 2.65 1czfA1 ASP 135 HB3 -0.05 0.03 0.10 -0.04 2.70 2.74 1czfA1 SER 136 H -0.03 0.61 0.39 -0.55 8.46 8.87 1czfA1 SER 136 HA -0.02 0.23 0.58 -0.75 4.49 4.53 1czfA1 SER 136 HB2 -0.33 -0.06 0.09 -0.04 3.95 3.60 1czfA1 SER 136 HB3 0.02 -0.00 0.30 -0.04 3.93 4.21 1czfA1 SER 137 H -0.04 0.25 -0.05 -0.55 8.46 8.07 1czfA1 SER 137 HA -0.00 0.22 0.97 -0.75 4.49 4.92 1czfA1 SER 137 HB2 -0.04 0.01 -0.24 -0.04 3.95 3.64 1czfA1 SER 137 HB3 -0.02 0.15 0.03 -0.04 3.93 4.05 1czfA1 SER 138 H -0.03 0.68 0.42 -0.55 8.46 8.98 1czfA1 SER 138 HA -0.18 0.23 1.14 -0.75 4.49 4.92 1czfA1 SER 138 HB2 -0.06 -0.03 0.02 -0.04 3.95 3.84 1czfA1 SER 138 HB3 -0.04 0.00 -0.10 -0.04 3.93 3.75 1czfA1 ILE 139 H -0.26 0.69 0.40 -0.55 8.25 8.52 1czfA1 ILE 139 HA -0.03 0.17 0.88 -0.75 4.18 4.44 1czfA1 ILE 139 HB -0.52 -0.02 0.23 -0.04 1.89 1.54 1czfA1 ILE 139 HG12 0.00 0.04 -0.02 -0.04 1.49 1.47 1czfA1 ILE 139 HG13 -0.28 -0.01 -0.40 -0.04 1.21 0.49 1czfA1 ILE 139 HG23 -0.02 -0.02 -0.13 -0.04 0.93 0.71 1czfA1 ILE 139 HD13 -0.26 -0.01 -0.11 -0.04 0.88 0.45 1czfA1 THR 140 H 0.02 0.78 0.30 -0.55 8.28 8.83 1czfA1 THR 140 HA 0.01 0.29 1.24 -0.75 4.39 5.17 1czfA1 THR 140 HB 0.01 0.03 0.13 -0.04 4.32 4.45 1czfA1 THR 140 HG23 0.01 -0.00 -0.10 -0.04 1.22 1.08 1czfA1 GLY 141 H 0.04 0.72 0.21 -0.55 8.43 8.86 1czfA1 GLY 141 HA2 0.08 0.32 0.44 -0.51 4.01 4.33 1czfA1 GLY 141 HA3 0.08 -0.03 0.42 -0.51 4.01 3.97 1czfA1 LEU 142 H 0.12 0.01 -0.45 -0.55 8.37 7.50 1czfA1 LEU 142 HA 0.39 0.05 0.31 -0.75 4.35 4.35 1czfA1 LEU 142 HB2 0.20 -0.06 -0.03 -0.04 1.64 1.71 1czfA1 LEU 142 HB3 0.20 0.01 -0.12 -0.04 1.64 1.68 1czfA1 LEU 142 HG 0.11 -0.02 -0.22 -0.04 1.64 1.47 1czfA1 LEU 142 HD13 0.10 -0.00 -0.13 -0.04 0.93 0.87 1czfA1 LEU 142 HD23 0.04 0.02 -0.25 -0.04 0.89 0.66 1czfA1 ASN 143 H 0.36 0.17 0.15 -0.55 8.53 8.66 1czfA1 ASN 143 HA 0.01 0.14 0.99 -0.75 4.76 5.14 1czfA1 ASN 143 HB2 -0.49 0.07 0.27 -0.04 2.88 2.70 1czfA1 ASN 143 HB3 -0.16 -0.05 0.11 -0.04 2.79 2.64 1czfA1 ASN 143 HD21 -0.08 -0.07 0.06 -0.04 7.03 6.90 1czfA1 ASN 143 HD22 -0.60 0.32 0.09 -0.04 7.74 7.51 1czfA1 ILE 144 H 0.04 0.87 0.39 -0.55 8.25 9.00 1czfA1 ILE 144 HA -0.07 0.24 1.02 -0.75 4.18 4.62 1czfA1 ILE 144 HB -0.03 -0.07 0.22 -0.04 1.89 1.97 1czfA1 ILE 144 HG12 0.19 0.10 -0.18 -0.04 1.49 1.57 1czfA1 ILE 144 HG13 0.22 -0.03 -0.10 -0.04 1.21 1.27 1czfA1 ILE 144 HG23 -0.65 -0.01 -0.08 -0.04 0.93 0.15 1czfA1 ILE 144 HD13 0.20 0.01 -0.24 -0.04 0.88 0.82 1czfA1 LYS 145 H -0.12 0.67 0.43 -0.55 8.42 8.85 1czfA1 LYS 145 HA -0.01 0.21 1.19 -0.75 4.32 4.96 1czfA1 LYS 145 HB2 -0.02 0.04 -0.08 -0.04 1.87 1.77 1czfA1 LYS 145 HB3 -0.02 -0.03 0.17 -0.04 1.79 1.87 1czfA1 LYS 145 HG2 0.01 -0.09 -0.14 -0.04 1.46 1.20 1czfA1 LYS 145 HG3 0.03 0.08 0.18 -0.04 1.46 1.71 1czfA1 LYS 145 HD2 -0.01 0.04 0.00 -0.04 1.69 1.68 1czfA1 LYS 145 HD3 -0.00 -0.00 -0.00 -0.04 1.68 1.63 1czfA1 LYS 145 HE2 0.02 -0.03 -0.01 -0.04 2.99 2.93 1czfA1 LYS 145 HE3 0.03 -0.05 0.02 -0.04 2.99 2.94 1czfA1 ASN 146 H 0.07 0.69 0.30 -0.55 8.53 9.05 1czfA1 ASN 146 HA 0.34 0.05 0.42 -0.75 4.76 4.82 1czfA1 ASN 146 HB2 -0.05 -0.02 -0.09 -0.04 2.88 2.68 1czfA1 ASN 146 HB3 -0.27 -0.10 0.13 -0.04 2.79 2.51 1czfA1 ASN 146 HD21 0.10 0.02 -0.01 -0.04 7.03 7.11 1czfA1 ASN 146 HD22 -0.00 -0.00 -0.02 -0.04 7.74 7.67 1czfA1 THR 147 H -0.01 0.04 -0.09 -0.55 8.28 7.68 1czfA1 THR 147 HA -0.28 0.12 0.41 -0.75 4.39 3.89 1czfA1 THR 147 HB -0.19 0.12 -0.11 -0.04 4.32 4.10 1czfA1 THR 147 HG23 -0.54 -0.04 -0.08 -0.04 1.22 0.51 1czfA1 PRO 148 HA -0.05 -0.00 0.54 -0.51 4.44 4.42 1czfA1 PRO 148 HB2 -0.73 0.04 -0.03 -0.04 2.28 1.52 1czfA1 PRO 148 HB3 -0.60 -0.01 0.17 -0.04 2.02 1.53 1czfA1 PRO 148 HG2 -0.75 0.36 0.09 -0.04 2.03 1.69 1czfA1 PRO 148 HG3 -1.54 0.06 0.08 -0.04 2.03 0.58 1czfA1 PRO 148 HD2 -0.40 0.03 0.21 -0.04 3.68 3.48 1czfA1 PRO 148 HD3 -0.36 0.18 0.13 -0.04 3.65 3.57 1czfA1 LEU 149 H -0.13 0.12 -0.37 -0.55 8.37 7.44 1czfA1 LEU 149 HA 0.03 0.17 0.46 -0.75 4.35 4.26 1czfA1 LEU 149 HB2 -0.15 0.03 -0.52 -0.04 1.64 0.96 1czfA1 LEU 149 HB3 -0.14 -0.04 -0.13 -0.04 1.64 1.29 1czfA1 LEU 149 HG -0.03 -0.03 0.09 -0.04 1.64 1.62 1czfA1 LEU 149 HD13 0.03 0.02 -0.16 -0.04 0.93 0.77 1czfA1 LEU 149 HD23 -0.07 0.01 -0.07 -0.04 0.89 0.72 1czfA1 MET 150 H -0.06 0.11 0.08 -0.55 8.47 8.06 1czfA1 MET 150 HA -0.05 0.03 0.25 -0.75 4.52 4.00 1czfA1 MET 150 HB2 -0.01 -0.04 -0.08 -0.04 2.15 1.98 1czfA1 MET 150 HB3 -0.01 0.02 -0.19 -0.04 2.03 1.81 1czfA1 MET 150 HG2 -0.01 -0.05 -0.07 -0.04 2.63 2.46 1czfA1 MET 150 HG3 -0.03 -0.01 -0.01 -0.04 2.56 2.48 1czfA1 MET 150 HE3 -0.01 -0.02 0.03 -0.04 2.10 2.05 1czfA1 ALA 151 H -0.07 0.81 0.14 -0.55 8.40 8.73 1czfA1 ALA 151 HA -0.03 0.02 0.65 -0.75 4.34 4.23 1czfA1 ALA 151 HB3 -0.20 0.04 0.24 -0.04 1.41 1.45 1czfA1 PHE 152 H -0.07 0.69 0.28 -0.55 8.34 8.69 1czfA1 PHE 152 HA 0.08 0.27 0.90 -0.75 4.62 5.12 1czfA1 PHE 152 HB2 -0.45 0.06 0.25 -0.04 3.15 2.96 1czfA1 PHE 152 HB3 -0.11 0.00 -0.09 -0.04 3.06 2.82 1czfA1 PHE 152 HD2 -0.50 0.09 -0.03 -0.04 7.28 6.80 1czfA1 PHE 152 HE2 -0.70 0.00 -0.13 -0.04 7.38 6.52 1czfA1 PHE 152 HZ 0.02 -0.01 -0.13 -0.04 7.32 7.15 1czfA1 SER 153 H 0.26 0.80 0.37 -0.55 8.46 9.34 1czfA1 SER 153 HA 0.14 0.13 0.87 -0.75 4.49 4.86 1czfA1 SER 153 HB2 0.13 -0.01 -0.03 -0.04 3.95 3.99 1czfA1 SER 153 HB3 0.11 -0.04 0.18 -0.04 3.93 4.15 1czfA1 VAL 154 H 0.15 0.90 0.33 -0.55 8.24 9.07 1czfA1 VAL 154 HA 0.31 0.20 0.97 -0.75 4.13 4.86 1czfA1 VAL 154 HB 0.14 -0.03 0.17 -0.04 2.12 2.35 1czfA1 VAL 154 HG13 0.24 -0.02 -0.09 -0.04 0.97 1.06 1czfA1 VAL 154 HG23 0.18 0.01 -0.18 -0.04 0.95 0.92 1czfA1 GLN 155 H 0.22 0.64 0.09 -0.55 8.47 8.87 1czfA1 GLN 155 HA -0.01 0.45 0.67 -0.75 4.36 4.72 1czfA1 GLN 155 HB2 -0.36 -0.11 0.18 -0.04 2.15 1.82 1czfA1 GLN 155 HB3 -0.18 0.01 0.16 -0.04 2.02 1.96 1czfA1 GLN 155 HG2 -0.13 0.29 -0.11 -0.04 2.40 2.41 1czfA1 GLN 155 HG3 -0.50 -0.08 -0.37 -0.04 2.39 1.40 1czfA1 GLN 155 HE21 -0.31 -0.02 -0.06 -0.04 6.97 6.54 1czfA1 GLN 155 HE22 -1.00 -0.01 -0.09 -0.04 7.69 6.55 1czfA1 ALA 156 H 0.08 0.27 0.12 -0.55 8.40 8.32 1czfA1 ALA 156 HA 0.05 0.04 0.74 -0.75 4.34 4.42 1czfA1 ALA 156 HB3 0.10 0.04 -0.14 -0.04 1.41 1.37 1czfA1 ASN 157 H 0.02 0.16 0.16 -0.55 8.53 8.32 1czfA1 ASN 157 HA 0.03 0.21 1.11 -0.75 4.76 5.35 1czfA1 ASN 157 HB2 0.00 -0.05 0.17 -0.04 2.88 2.95 1czfA1 ASN 157 HB3 0.01 0.10 0.16 -0.04 2.79 3.02 1czfA1 ASN 157 HD21 0.00 0.02 -0.03 -0.04 7.03 6.99 1czfA1 ASN 157 HD22 0.00 0.01 0.03 -0.04 7.74 7.74 1czfA1 ASP 158 H 0.03 0.61 0.56 -0.55 8.40 9.05 1czfA1 ASP 158 HA 0.02 0.03 0.50 -0.75 4.63 4.44 1czfA1 ASP 158 HB2 0.01 0.00 0.07 -0.04 2.71 2.75 1czfA1 ASP 158 HB3 -0.01 -0.09 0.24 -0.04 2.70 2.80 1czfA1 ILE 159 H 0.04 0.49 0.13 -0.55 8.25 8.35 1czfA1 ILE 159 HA -0.07 0.33 1.06 -0.75 4.18 4.75 1czfA1 ILE 159 HB 0.01 0.10 -0.07 -0.04 1.89 1.89 1czfA1 ILE 159 HG12 -0.55 -0.05 -0.23 -0.04 1.49 0.62 1czfA1 ILE 159 HG13 -0.24 0.09 -0.02 -0.04 1.21 1.00 1czfA1 ILE 159 HG23 0.16 -0.02 -0.05 -0.04 0.93 0.97 1czfA1 ILE 159 HD13 0.02 0.00 -0.04 -0.04 0.88 0.82 1czfA1 THR 160 H -0.21 0.63 0.42 -0.55 8.28 8.57 1czfA1 THR 160 HA -0.03 0.23 1.18 -0.75 4.39 5.01 1czfA1 THR 160 HB -0.08 -0.01 0.14 -0.04 4.32 4.33 1czfA1 THR 160 HG23 -0.03 -0.02 -0.15 -0.04 1.22 0.98 1czfA1 PHE 161 H 0.04 0.84 0.44 -0.55 8.34 9.11 1czfA1 PHE 161 HA -0.14 0.30 1.04 -0.75 4.62 5.08 1czfA1 PHE 161 HB2 -0.35 -0.05 0.32 -0.04 3.15 3.03 1czfA1 PHE 161 HB3 -0.20 -0.03 0.07 -0.04 3.06 2.86 1czfA1 PHE 161 HD2 -0.36 0.04 -0.08 -0.04 7.28 6.85 1czfA1 PHE 161 HE2 -0.35 -0.01 -0.13 -0.04 7.38 6.85 1czfA1 PHE 161 HZ 0.04 0.00 -0.11 -0.04 7.32 7.21 1czfA1 THR 162 H -0.03 0.68 0.37 -0.55 8.28 8.75 1czfA1 THR 162 HA -0.09 0.28 1.17 -0.75 4.39 4.99 1czfA1 THR 162 HB -0.03 -0.02 0.11 -0.04 4.32 4.33 1czfA1 THR 162 HG23 -0.04 0.01 -0.07 -0.04 1.22 1.07 1czfA1 ASP 163 H -0.06 0.68 0.25 -0.55 8.40 8.73 1czfA1 ASP 163 HA 0.01 0.33 0.41 -0.75 4.63 4.64 1czfA1 ASP 163 HB2 0.02 -0.04 -0.04 -0.04 2.71 2.61 1czfA1 ASP 163 HB3 0.02 0.01 0.25 -0.04 2.70 2.94 1czfA1 VAL 164 H 0.06 0.09 -0.32 -0.55 8.24 7.52 1czfA1 VAL 164 HA 0.13 0.21 0.71 -0.75 4.13 4.43 1czfA1 VAL 164 HB 0.20 -0.06 -0.01 -0.04 2.12 2.22 1czfA1 VAL 164 HG13 0.15 -0.00 -0.20 -0.04 0.97 0.88 1czfA1 VAL 164 HG23 0.10 -0.02 -0.17 -0.04 0.95 0.82 1czfA1 THR 165 H 0.14 0.80 0.34 -0.55 8.28 9.01 1czfA1 THR 165 HA 0.31 0.21 1.15 -0.75 4.39 5.31 1czfA1 THR 165 HB 0.01 -0.02 0.27 -0.04 4.32 4.54 1czfA1 THR 165 HG23 -0.04 -0.03 -0.09 -0.04 1.22 1.02 1czfA1 ILE 166 H 0.36 0.85 0.37 -0.55 8.25 9.27 1czfA1 ILE 166 HA 0.09 0.17 0.97 -0.75 4.18 4.66 1czfA1 ILE 166 HB 0.10 -0.04 0.28 -0.04 1.89 2.18 1czfA1 ILE 166 HG12 0.13 0.02 -0.07 -0.04 1.49 1.52 1czfA1 ILE 166 HG13 0.17 -0.02 -0.37 -0.04 1.21 0.95 1czfA1 ILE 166 HG23 -0.03 -0.02 -0.08 -0.04 0.93 0.76 1czfA1 ILE 166 HD13 -0.16 -0.00 0.01 -0.04 0.88 0.69 1czfA1 ASN 167 H 0.10 0.92 0.28 -0.55 8.53 9.28 1czfA1 ASN 167 HA 0.43 0.09 1.03 -0.75 4.76 5.56 1czfA1 ASN 167 HB2 0.06 0.06 0.09 -0.04 2.88 3.05 1czfA1 ASN 167 HB3 0.04 0.14 0.31 -0.04 2.79 3.24 1czfA1 ASN 167 HD21 0.01 -0.01 0.02 -0.04 7.03 7.02 1czfA1 ASN 167 HD22 -0.02 0.09 0.06 -0.04 7.74 7.82 1czfA1 ASN 168 H 0.14 0.78 0.33 -0.55 8.53 9.23 1czfA1 ASN 168 HA 0.16 -0.01 0.97 -0.75 4.76 5.13 1czfA1 ASN 168 HB2 0.02 0.33 0.32 -0.04 2.88 3.50 1czfA1 ASN 168 HB3 -0.08 -0.09 0.23 -0.04 2.79 2.81 1czfA1 ASN 168 HD21 0.20 0.29 0.03 -0.04 7.03 7.52 1czfA1 ASN 168 HD22 0.03 -0.07 0.00 -0.04 7.74 7.66 1czfA1 ALA 169 H -0.05 0.10 -0.11 -0.55 8.40 7.79 1czfA1 ALA 169 HA -1.15 0.12 0.30 -0.75 4.34 2.85 1czfA1 ALA 169 HB3 -0.25 0.03 0.07 -0.04 1.41 1.21 1czfA1 ASP 170 H 0.03 0.09 -0.28 -0.55 8.40 7.69 1czfA1 ASP 170 HA 0.02 0.10 0.31 -0.75 4.63 4.31 1czfA1 ASP 170 HB2 0.41 -0.04 -0.02 -0.04 2.71 3.02 1czfA1 ASP 170 HB3 0.32 0.06 -0.02 -0.04 2.70 3.02 1czfA1 GLY 171 H -0.28 0.43 -0.43 -0.55 8.43 7.60 1czfA1 GLY 171 HA2 -1.55 0.01 0.29 -0.51 4.01 2.25 1czfA1 GLY 171 HA3 -1.26 0.10 0.22 -0.51 4.01 2.56 1czfA1 ASP 172 H -0.25 0.53 -0.35 -0.55 8.40 7.78 1czfA1 ASP 172 HA -0.19 0.11 0.45 -0.75 4.63 4.24 1czfA1 ASP 172 HB2 -0.07 0.07 0.13 -0.04 2.71 2.79 1czfA1 ASP 172 HB3 -0.03 -0.02 0.01 -0.04 2.70 2.62 1czfA1 THR 173 H -0.09 0.26 -0.17 -0.55 8.28 7.74 1czfA1 THR 173 HA -0.04 0.25 0.95 -0.75 4.39 4.79 1czfA1 THR 173 HB 0.01 0.01 0.10 -0.04 4.32 4.39 1czfA1 THR 173 HG23 -0.01 -0.01 -0.10 -0.04 1.22 1.06 1czfA1 GLN 174 H -0.08 0.20 -0.06 -0.55 8.47 7.98 1czfA1 GLN 174 HA 0.10 0.26 0.91 -0.75 4.36 4.87 1czfA1 GLN 174 HB2 0.41 0.02 -0.03 -0.04 2.15 2.52 1czfA1 GLN 174 HB3 0.47 0.04 0.14 -0.04 2.02 2.63 1czfA1 GLN 174 HG2 0.13 0.07 -0.01 -0.04 2.40 2.55 1czfA1 GLN 174 HG3 0.12 -0.04 -0.19 -0.04 2.39 2.24 1czfA1 GLN 174 HE21 0.05 -0.05 -0.03 -0.04 6.97 6.89 1czfA1 GLN 174 HE22 0.07 0.07 -0.02 -0.04 7.69 7.76 1czfA1 GLY 175 H -0.12 0.19 -0.35 -0.55 8.43 7.60 1czfA1 GLY 175 HA2 -0.09 0.09 0.19 -0.51 4.01 3.69 1czfA1 GLY 175 HA3 0.06 0.07 0.29 -0.51 4.01 3.92 1czfA1 GLY 176 H -0.74 0.41 0.05 -0.55 8.43 7.61 1czfA1 GLY 176 HA2 -1.14 0.09 0.53 -0.51 4.01 2.98 1czfA1 GLY 176 HA3 -1.43 -0.08 0.27 -0.51 4.01 2.26 1czfA1 HIS 177 H -0.20 0.39 0.17 -0.55 8.41 8.23 1czfA1 HIS 177 HA -0.15 0.16 0.40 -0.75 4.63 4.29 1czfA1 HIS 177 HB2 -0.03 -0.12 -0.22 -0.04 3.26 2.85 1czfA1 HIS 177 HB3 -0.03 -0.03 -0.11 -0.04 3.20 2.99 1czfA1 HIS 177 HD2 -0.03 -0.05 0.12 -0.04 6.97 6.96 1czfA1 HIS 177 HE1 -0.02 -0.03 -0.03 -0.04 7.75 7.63 1czfA1 ASN 178 H -0.01 0.29 0.01 -0.55 8.53 8.28 1czfA1 ASN 178 HA -0.06 -0.03 0.26 -0.75 4.76 4.17 1czfA1 ASN 178 HB2 0.02 0.22 -0.12 -0.04 2.88 2.96 1czfA1 ASN 178 HB3 -0.00 0.00 0.16 -0.04 2.79 2.91 1czfA1 ASN 178 HD21 0.03 0.08 0.00 -0.04 7.03 7.10 1czfA1 ASN 178 HD22 0.01 -0.05 0.04 -0.04 7.74 7.69 1czfA1 THR 179 H -0.12 0.01 -0.64 -0.55 8.28 6.98 1czfA1 THR 179 HA -0.04 0.36 0.08 -0.75 4.39 4.04 1czfA1 THR 179 HB -0.06 0.02 0.01 -0.04 4.32 4.26 1czfA1 THR 179 HG23 -0.04 0.08 -0.32 -0.04 1.22 0.91 1czfA1 ASP 180 H -0.06 0.21 -0.74 -0.55 8.40 7.25 1czfA1 ASP 180 HA -0.07 0.10 0.04 -0.75 4.63 3.95 1czfA1 ASP 180 HB2 -0.02 -0.01 -0.20 -0.04 2.71 2.43 1czfA1 ASP 180 HB3 -0.01 0.05 -0.28 -0.04 2.70 2.42 1czfA1 ALA 181 H -0.03 0.58 0.19 -0.55 8.40 8.60 1czfA1 ALA 181 HA -0.16 0.04 0.60 -0.75 4.34 4.06 1czfA1 ALA 181 HB3 -0.03 0.09 0.21 -0.04 1.41 1.63 1czfA1 PHE 182 H 0.13 0.29 -0.06 -0.55 8.34 8.15 1czfA1 PHE 182 HA 0.03 0.28 1.01 -0.75 4.62 5.18 1czfA1 PHE 182 HB2 0.01 -0.03 0.20 -0.04 3.15 3.29 1czfA1 PHE 182 HB3 -0.10 0.01 -0.05 -0.04 3.06 2.88 1czfA1 PHE 182 HD2 -0.33 0.12 -0.01 -0.04 7.28 7.02 1czfA1 PHE 182 HE2 -0.75 -0.01 -0.07 -0.04 7.38 6.52 1czfA1 PHE 182 HZ -0.23 -0.01 -0.08 -0.04 7.32 6.97 1czfA1 ASP 183 H 0.11 0.83 0.25 -0.55 8.40 9.04 1czfA1 ASP 183 HA 0.05 0.21 0.97 -0.75 4.63 5.10 1czfA1 ASP 183 HB2 0.06 0.02 0.19 -0.04 2.71 2.93 1czfA1 ASP 183 HB3 0.03 0.02 -0.01 -0.04 2.70 2.70 1czfA1 VAL 184 H 0.04 0.77 0.43 -0.55 8.24 8.93 1czfA1 VAL 184 HA 0.06 0.31 1.19 -0.75 4.13 4.94 1czfA1 VAL 184 HB 0.03 -0.09 0.12 -0.04 2.12 2.14 1czfA1 VAL 184 HG13 0.04 0.03 -0.09 -0.04 0.97 0.91 1czfA1 VAL 184 HG23 0.06 -0.01 -0.25 -0.04 0.95 0.72 1czfA1 GLY 185 H 0.01 0.82 0.39 -0.55 8.43 9.11 1czfA1 GLY 185 HA2 -0.01 0.11 0.70 -0.51 4.01 4.30 1czfA1 GLY 185 HA3 -0.03 0.00 0.36 -0.51 4.01 3.84 1czfA1 ASN 186 H -0.01 0.08 -0.03 -0.55 8.53 8.01 1czfA1 ASN 186 HA -0.01 -0.02 0.26 -0.75 4.76 4.23 1czfA1 ASN 186 HB2 -0.06 0.11 -0.24 -0.04 2.88 2.65 1czfA1 ASN 186 HB3 -0.03 0.02 0.12 -0.04 2.79 2.85 1czfA1 ASN 186 HD21 -0.04 -0.03 -0.04 -0.04 7.03 6.88 1czfA1 ASN 186 HD22 -0.07 0.05 -0.16 -0.04 7.74 7.52 1czfA1 SER 187 H 0.01 0.11 -0.12 -0.55 8.46 7.92 1czfA1 SER 187 HA 0.02 0.19 0.83 -0.75 4.49 4.78 1czfA1 SER 187 HB2 0.04 -0.10 -0.05 -0.04 3.95 3.80 1czfA1 SER 187 HB3 0.06 0.16 -0.03 -0.04 3.93 4.08 1czfA1 VAL 188 H 0.02 0.28 0.16 -0.55 8.24 8.15 1czfA1 VAL 188 HA 0.02 0.25 1.10 -0.75 4.13 4.74 1czfA1 VAL 188 HB 0.01 -0.03 0.18 -0.04 2.12 2.24 1czfA1 VAL 188 HG13 0.01 -0.00 -0.07 -0.04 0.97 0.87 1czfA1 VAL 188 HG23 0.01 -0.01 -0.16 -0.04 0.95 0.74 1czfA1 GLY 189 H 0.03 0.73 0.32 -0.55 8.43 8.97 1czfA1 GLY 189 HA2 0.04 0.24 0.60 -0.51 4.01 4.38 1czfA1 GLY 189 HA3 0.03 -0.03 0.81 -0.51 4.01 4.31 1czfA1 VAL 190 H 0.08 0.61 0.41 -0.55 8.24 8.79 1czfA1 VAL 190 HA 0.10 0.30 0.98 -0.75 4.13 4.75 1czfA1 VAL 190 HB 0.08 -0.10 0.11 -0.04 2.12 2.16 1czfA1 VAL 190 HG13 0.12 0.00 -0.16 -0.04 0.97 0.89 1czfA1 VAL 190 HG23 0.09 -0.01 -0.27 -0.04 0.95 0.72 1czfA1 ASN 191 H 0.10 0.76 0.40 -0.55 8.53 9.24 1czfA1 ASN 191 HA 0.14 0.23 1.10 -0.75 4.76 5.47 1czfA1 ASN 191 HB2 0.07 -0.06 0.19 -0.04 2.88 3.05 1czfA1 ASN 191 HB3 0.16 -0.01 0.02 -0.04 2.79 2.92 1czfA1 ASN 191 HD21 0.10 -0.02 -0.18 -0.04 7.03 6.89 1czfA1 ASN 191 HD22 0.08 0.05 -0.22 -0.04 7.74 7.61 1czfA1 ILE 192 H -0.26 0.89 0.39 -0.55 8.25 8.72 1czfA1 ILE 192 HA -0.29 0.22 1.06 -0.75 4.18 4.41 1czfA1 ILE 192 HB -0.49 -0.06 0.30 -0.04 1.89 1.60 1czfA1 ILE 192 HG12 -0.64 0.04 -0.06 -0.04 1.49 0.79 1czfA1 ILE 192 HG13 -0.17 -0.07 -0.44 -0.04 1.21 0.48 1czfA1 ILE 192 HG23 -1.08 -0.00 -0.02 -0.04 0.93 -0.21 1czfA1 ILE 192 HD13 -0.45 -0.01 -0.09 -0.04 0.88 0.29 1czfA1 ILE 193 H -0.29 0.78 0.34 -0.55 8.25 8.53 1czfA1 ILE 193 HA -0.58 0.16 1.08 -0.75 4.18 4.09 1czfA1 ILE 193 HB -0.20 -0.04 0.17 -0.04 1.89 1.77 1czfA1 ILE 193 HG12 -0.89 0.02 -0.10 -0.04 1.49 0.48 1czfA1 ILE 193 HG13 -0.42 -0.11 -0.35 -0.04 1.21 0.29 1czfA1 ILE 193 HG23 -0.24 0.00 -0.08 -0.04 0.93 0.57 1czfA1 ILE 193 HD13 -0.02 0.00 -0.08 -0.04 0.88 0.74 1czfA1 LYS 194 H -0.36 0.69 0.34 -0.55 8.42 8.53 1czfA1 LYS 194 HA -0.17 0.35 0.33 -0.75 4.32 4.08 1czfA1 LYS 194 HB2 -0.09 -0.09 -0.01 -0.04 1.87 1.64 1czfA1 LYS 194 HB3 -0.03 0.01 0.26 -0.04 1.79 1.99 1czfA1 LYS 194 HG2 -0.09 0.14 0.19 -0.04 1.46 1.66 1czfA1 LYS 194 HG3 -0.14 -0.09 0.01 -0.04 1.46 1.19 1czfA1 LYS 194 HD2 -0.05 -0.05 0.01 -0.04 1.69 1.56 1czfA1 LYS 194 HD3 -0.03 0.02 0.07 -0.04 1.68 1.69 1czfA1 LYS 194 HE2 -0.05 0.03 0.06 -0.04 2.99 3.00 1czfA1 LYS 194 HE3 -0.06 -0.03 0.01 -0.04 2.99 2.86 1czfA1 PRO 195 HA 0.06 0.23 0.65 -0.51 4.44 4.87 1czfA1 PRO 195 HB2 0.22 0.01 -0.05 -0.04 2.28 2.42 1czfA1 PRO 195 HB3 -0.15 -0.01 0.00 -0.04 2.02 1.82 1czfA1 PRO 195 HG2 -0.28 -0.10 -0.04 -0.04 2.03 1.58 1czfA1 PRO 195 HG3 -1.08 0.02 -0.07 -0.04 2.03 0.85 1czfA1 PRO 195 HD2 -0.55 0.11 -0.13 -0.04 3.68 3.06 1czfA1 PRO 195 HD3 -0.64 0.05 -0.50 -0.04 3.65 2.52 1czfA1 TRP 196 H 0.31 0.65 0.41 -0.55 7.97 8.79 1czfA1 TRP 196 HA 0.03 0.10 0.98 -0.75 4.62 4.97 1czfA1 TRP 196 HB2 0.01 0.10 -0.01 -0.04 3.23 3.30 1czfA1 TRP 196 HB3 0.03 -0.09 0.21 -0.04 3.23 3.34 1czfA1 TRP 196 HD1 0.01 0.05 0.04 -0.04 7.22 7.28 1czfA1 TRP 196 HE1 0.02 -0.01 -0.01 -0.04 10.20 10.15 1czfA1 TRP 196 HE3 0.05 -0.09 -0.47 -0.04 7.59 7.04 1czfA1 TRP 196 HZ2 0.05 0.00 -0.04 -0.04 7.44 7.41 1czfA1 TRP 196 HZ3 0.09 -0.12 -0.03 -0.04 7.13 7.03 1czfA1 TRP 196 HH2 0.17 -0.06 -0.02 -0.04 7.19 7.24 1czfA1 VAL 197 H -0.49 0.79 0.37 -0.55 8.24 8.37 1czfA1 VAL 197 HA 0.12 0.27 1.23 -0.75 4.13 5.00 1czfA1 VAL 197 HB -0.05 0.00 0.26 -0.04 2.12 2.29 1czfA1 VAL 197 HG13 -0.01 -0.02 -0.08 -0.04 0.97 0.82 1czfA1 VAL 197 HG23 0.19 -0.00 -0.16 -0.04 0.95 0.94 1czfA1 HIS 198 H 0.12 0.63 0.33 -0.55 8.41 8.95 1czfA1 HIS 198 HA -0.25 0.28 0.87 -0.75 4.63 4.77 1czfA1 HIS 198 HB2 -0.30 0.05 0.04 -0.04 3.26 3.01 1czfA1 HIS 198 HB3 0.18 -0.27 0.29 -0.04 3.20 3.35 1czfA1 HIS 198 HD2 -0.08 0.21 -0.30 -0.04 6.97 6.76 1czfA1 HIS 198 HE1 0.03 0.02 0.00 -0.04 7.75 7.76 1czfA1 ASN 199 H 0.01 0.59 0.17 -0.55 8.53 8.75 1czfA1 ASN 199 HA -0.04 0.13 0.56 -0.75 4.76 4.66 1czfA1 ASN 199 HB2 -0.08 -0.01 0.10 -0.04 2.88 2.84 1czfA1 ASN 199 HB3 -0.02 0.03 -0.17 -0.04 2.79 2.59 1czfA1 ASN 199 HD21 -0.06 0.14 -0.37 -0.04 7.03 6.71 1czfA1 ASN 199 HD22 -0.07 0.46 -0.11 -0.04 7.74 7.98 1czfA1 GLN 200 H -0.15 0.10 -0.09 -0.55 8.47 7.79 1czfA1 GLN 200 HA -0.11 0.47 0.77 -0.75 4.36 4.73 1czfA1 GLN 200 HB2 -0.29 -0.20 -0.38 -0.04 2.15 1.23 1czfA1 GLN 200 HB3 -0.23 0.11 0.03 -0.04 2.02 1.90 1czfA1 GLN 200 HG2 -0.48 0.32 -0.29 -0.04 2.40 1.91 1czfA1 GLN 200 HG3 -0.22 0.14 -0.34 -0.04 2.39 1.93 1czfA1 GLN 200 HE21 -0.27 0.43 -0.17 -0.04 6.97 6.92 1czfA1 GLN 200 HE22 -0.19 0.10 -0.41 -0.04 7.69 7.15 1czfA1 ASP 201 H -0.19 0.26 -0.18 -0.55 8.40 7.75 1czfA1 ASP 201 HA -1.25 0.23 0.29 -0.75 4.63 3.15 1czfA1 ASP 201 HB2 -0.24 -0.18 -0.24 -0.04 2.71 2.01 1czfA1 ASP 201 HB3 -0.17 0.04 -0.23 -0.04 2.70 2.30 1czfA1 ASP 202 H -0.11 0.20 -0.00 -0.55 8.40 7.93 1czfA1 ASP 202 HA 0.00 -0.03 0.22 -0.75 4.63 4.07 1czfA1 ASP 202 HB2 -0.02 -0.06 -0.09 -0.04 2.71 2.50 1czfA1 ASP 202 HB3 -0.01 0.17 -0.40 -0.04 2.70 2.41 1czfA1 CYS 203 H -0.03 0.58 0.31 -0.55 8.50 8.81 1czfA1 CYS 203 HA 0.03 0.04 0.64 -0.75 4.58 4.53 1czfA1 CYS 203 HB2 -0.04 -0.10 0.09 -0.04 2.97 2.88 1czfA1 CYS 203 HB3 -0.10 0.07 -0.04 -0.04 2.97 2.85 1czfA1 LEU 204 H -0.08 0.39 0.24 -0.55 8.37 8.37 1czfA1 LEU 204 HA 0.08 0.27 0.74 -0.75 4.35 4.69 1czfA1 LEU 204 HB2 -0.46 0.04 -0.07 -0.04 1.64 1.10 1czfA1 LEU 204 HB3 -0.37 -0.12 0.10 -0.04 1.64 1.21 1czfA1 LEU 204 HG -0.10 0.06 -0.29 -0.04 1.64 1.28 1czfA1 LEU 204 HD13 0.04 0.04 -0.06 -0.04 0.93 0.91 1czfA1 LEU 204 HD23 -0.30 -0.01 -0.15 -0.04 0.89 0.39 1czfA1 ALA 205 H 0.03 0.68 0.25 -0.55 8.40 8.81 1czfA1 ALA 205 HA -0.02 0.30 0.80 -0.75 4.34 4.66 1czfA1 ALA 205 HB3 -0.00 -0.01 0.01 -0.04 1.41 1.37 1czfA1 VAL 206 H -0.03 0.54 0.25 -0.55 8.24 8.46 1czfA1 VAL 206 HA -0.00 0.23 1.13 -0.75 4.13 4.74 1czfA1 VAL 206 HB -0.03 -0.07 0.21 -0.04 2.12 2.20 1czfA1 VAL 206 HG13 -0.01 0.02 -0.24 -0.04 0.97 0.69 1czfA1 VAL 206 HG23 -0.03 0.01 -0.13 -0.04 0.95 0.76 1czfA1 ASN 207 H -0.01 0.61 0.32 -0.55 8.53 8.91 1czfA1 ASN 207 HA -0.02 0.08 0.70 -0.75 4.76 4.76 1czfA1 ASN 207 HB2 -0.01 0.02 0.12 -0.04 2.88 2.96 1czfA1 ASN 207 HB3 -0.02 0.00 -0.04 -0.04 2.79 2.69 1czfA1 ASN 207 HD21 -0.02 -0.04 -0.18 -0.04 7.03 6.74 1czfA1 ASN 207 HD22 -0.01 -0.03 -0.06 -0.04 7.74 7.61 1czfA1 SER 208 H -0.01 0.43 0.20 -0.55 8.46 8.54 1czfA1 SER 208 HA -0.01 0.17 0.25 -0.75 4.49 4.15 1czfA1 SER 208 HB2 -0.01 -0.01 0.15 -0.04 3.95 4.05 1czfA1 SER 208 HB3 -0.01 0.37 0.02 -0.04 3.93 4.27 1czfA1 GLY 209 H -0.00 0.63 0.38 -0.55 8.43 8.89 1czfA1 GLY 209 HA2 0.01 -0.03 0.43 -0.51 4.01 3.90 1czfA1 GLY 209 HA3 0.01 0.18 0.82 -0.51 4.01 4.51 1czfA1 GLU 210 H 0.01 0.68 0.47 -0.55 8.60 9.22 1czfA1 GLU 210 HA 0.00 0.46 1.04 -0.75 4.29 5.04 1czfA1 GLU 210 HB2 0.01 -0.07 0.13 -0.04 2.09 2.12 1czfA1 GLU 210 HB3 0.00 0.03 0.12 -0.04 1.99 2.10 1czfA1 GLU 210 HG2 0.00 0.05 -0.02 -0.04 2.34 2.32 1czfA1 GLU 210 HG3 0.00 -0.09 -0.29 -0.04 2.34 1.92 1czfA1 ASN 211 H 0.00 0.54 0.46 -0.55 8.53 8.99 1czfA1 ASN 211 HA 0.00 0.17 0.55 -0.75 4.76 4.73 1czfA1 ASN 211 HB2 0.02 -0.08 0.21 -0.04 2.88 2.99 1czfA1 ASN 211 HB3 0.00 0.02 0.22 -0.04 2.79 2.98 1czfA1 ASN 211 HD21 -0.01 0.02 -0.04 -0.04 7.03 6.96 1czfA1 ASN 211 HD22 0.00 -0.01 -0.05 -0.04 7.74 7.64 1czfA1 ILE 212 H 0.03 0.54 0.31 -0.55 8.25 8.58 1czfA1 ILE 212 HA 0.10 0.23 1.03 -0.75 4.18 4.78 1czfA1 ILE 212 HB 0.02 -0.07 0.05 -0.04 1.89 1.85 1czfA1 ILE 212 HG12 0.05 0.02 -0.16 -0.04 1.49 1.36 1czfA1 ILE 212 HG13 0.03 -0.05 -0.55 -0.04 1.21 0.59 1czfA1 ILE 212 HG23 0.04 -0.01 -0.19 -0.04 0.93 0.74 1czfA1 ILE 212 HD13 0.01 -0.00 -0.20 -0.04 0.88 0.65 1czfA1 TRP 213 H 0.22 0.84 0.46 -0.55 7.97 8.94 1czfA1 TRP 213 HA -0.02 0.25 1.09 -0.75 4.62 5.18 1czfA1 TRP 213 HB2 -0.02 -0.01 -0.07 -0.04 3.23 3.09 1czfA1 TRP 213 HB3 -0.02 -0.04 0.24 -0.04 3.23 3.37 1czfA1 TRP 213 HD1 -0.02 0.15 0.09 -0.04 7.22 7.40 1czfA1 TRP 213 HE1 0.02 -0.03 -0.10 -0.04 10.20 10.05 1czfA1 TRP 213 HE3 -0.03 -0.01 -0.03 -0.04 7.59 7.48 1czfA1 TRP 213 HZ2 0.01 -0.01 -0.06 -0.04 7.44 7.35 1czfA1 TRP 213 HZ3 -0.03 0.01 -0.06 -0.04 7.13 7.01 1czfA1 TRP 213 HH2 -0.02 0.01 -0.05 -0.04 7.19 7.09 1czfA1 PHE 214 H 0.13 0.87 0.45 -0.55 8.34 9.23 1czfA1 PHE 214 HA -0.37 0.27 1.05 -0.75 4.62 4.83 1czfA1 PHE 214 HB2 -0.18 -0.03 -0.05 -0.04 3.15 2.86 1czfA1 PHE 214 HB3 -0.16 -0.06 0.25 -0.04 3.06 3.05 1czfA1 PHE 214 HD2 -0.22 -0.03 -0.14 -0.04 7.28 6.85 1czfA1 PHE 214 HE2 -0.12 -0.00 -0.12 -0.04 7.38 7.10 1czfA1 PHE 214 HZ -0.05 -0.02 -0.16 -0.04 7.32 7.05 1czfA1 THR 215 H -0.79 0.72 0.45 -0.55 8.28 8.12 1czfA1 THR 215 HA -0.12 0.40 1.13 -0.75 4.39 5.05 1czfA1 THR 215 HB -0.55 -0.01 -0.16 -0.04 4.32 3.56 1czfA1 THR 215 HG23 -1.13 -0.01 0.01 -0.04 1.22 0.04 1czfA1 GLY 216 H 0.02 0.41 0.29 -0.55 8.43 8.60 1czfA1 GLY 216 HA2 0.00 0.37 0.58 -0.51 4.01 4.44 1czfA1 GLY 216 HA3 -0.10 -0.09 0.52 -0.51 4.01 3.83 1czfA1 GLY 217 H -0.04 0.03 -0.22 -0.55 8.43 7.65 1czfA1 GLY 217 HA2 -0.12 0.37 0.60 -0.51 4.01 4.34 1czfA1 GLY 217 HA3 -0.00 -0.08 0.22 -0.51 4.01 3.64 1czfA1 THR 218 H -0.05 0.59 0.30 -0.55 8.28 8.56 1czfA1 THR 218 HA -0.11 0.16 0.97 -0.75 4.39 4.65 1czfA1 THR 218 HB -0.51 -0.10 0.37 -0.04 4.32 4.04 1czfA1 THR 218 HG23 -0.51 -0.01 -0.04 -0.04 1.22 0.62 1czfA1 CYS 219 H -0.12 0.82 0.28 -0.55 8.50 8.93 1czfA1 CYS 219 HA -0.17 0.15 1.06 -0.75 4.58 4.87 1czfA1 CYS 219 HB2 -0.06 0.03 0.17 -0.04 2.97 3.06 1czfA1 CYS 219 HB3 -0.07 -0.11 0.01 -0.04 2.97 2.76 1czfA1 ILE 220 H -0.36 0.77 0.37 -0.55 8.25 8.47 1czfA1 ILE 220 HA -0.27 0.32 1.09 -0.75 4.18 4.57 1czfA1 ILE 220 HB -0.73 -0.01 0.31 -0.04 1.89 1.41 1czfA1 ILE 220 HG12 -0.31 -0.00 -0.07 -0.04 1.49 1.07 1czfA1 ILE 220 HG13 -0.50 -0.09 -0.30 -0.04 1.21 0.28 1czfA1 ILE 220 HG23 -0.76 0.00 -0.03 -0.04 0.93 0.11 1czfA1 ILE 220 HD13 -0.56 -0.00 -0.05 -0.04 0.88 0.23 1czfA1 GLY 221 H -0.21 0.55 0.24 -0.55 8.43 8.46 1czfA1 GLY 221 HA2 -0.08 0.33 0.63 -0.51 4.01 4.38 1czfA1 GLY 221 HA3 -0.07 -0.01 0.43 -0.51 4.01 3.86 1czfA1 GLY 222 H -0.08 0.03 -0.67 -0.55 8.43 7.16 1czfA1 GLY 222 HA2 -0.05 0.04 0.11 -0.51 4.01 3.59 1czfA1 GLY 222 HA3 -0.05 0.08 0.20 -0.51 4.01 3.73 1czfA1 HIS 223 H 0.02 0.36 -0.52 -0.55 8.41 7.72 1czfA1 HIS 223 HA -0.01 0.04 0.82 -0.75 4.63 4.73 1czfA1 HIS 223 HB2 -0.01 -0.11 -0.25 -0.04 3.26 2.84 1czfA1 HIS 223 HB3 -0.00 0.06 -0.00 -0.04 3.20 3.22 1czfA1 HIS 223 HD2 -0.00 0.14 -0.66 -0.04 6.97 6.40 1czfA1 HIS 223 HE1 0.02 0.03 0.00 -0.04 7.75 7.77 1czfA1 GLY 224 H 0.01 -0.00 -0.17 -0.55 8.43 7.73 1czfA1 GLY 224 HA2 -0.03 0.09 0.25 -0.51 4.01 3.80 1czfA1 GLY 224 HA3 -0.01 0.26 0.39 -0.51 4.01 4.14 1czfA1 LEU 225 H -0.04 0.84 0.17 -0.55 8.37 8.79 1czfA1 LEU 225 HA -0.18 -0.02 0.80 -0.75 4.35 4.20 1czfA1 LEU 225 HB2 0.09 0.11 0.26 -0.04 1.64 2.06 1czfA1 LEU 225 HB3 -0.14 -0.00 0.04 -0.04 1.64 1.50 1czfA1 LEU 225 HG -0.13 -0.13 -0.19 -0.04 1.64 1.14 1czfA1 LEU 225 HD13 -0.05 0.01 -0.12 -0.04 0.93 0.73 1czfA1 LEU 225 HD23 -0.75 -0.01 -0.12 -0.04 0.89 -0.02 1czfA1 SER 226 H -0.06 0.66 0.24 -0.55 8.46 8.76 1czfA1 SER 226 HA 0.02 0.39 1.14 -0.75 4.49 5.28 1czfA1 SER 226 HB2 -0.02 0.02 0.05 -0.04 3.95 3.95 1czfA1 SER 226 HB3 -0.04 0.04 -0.29 -0.04 3.93 3.61 1czfA1 ILE 227 H 0.01 0.75 0.41 -0.55 8.25 8.87 1czfA1 ILE 227 HA -0.02 0.06 0.87 -0.75 4.18 4.33 1czfA1 ILE 227 HB 0.01 -0.07 0.29 -0.04 1.89 2.08 1czfA1 ILE 227 HG12 0.10 0.06 -0.05 -0.04 1.49 1.56 1czfA1 ILE 227 HG13 0.01 -0.03 -0.04 -0.04 1.21 1.10 1czfA1 ILE 227 HG23 -0.01 0.00 -0.06 -0.04 0.93 0.82 1czfA1 ILE 227 HD13 -0.07 0.02 -0.15 -0.04 0.88 0.63 1czfA1 GLY 228 H -0.03 0.67 0.15 -0.55 8.43 8.67 1czfA1 GLY 228 HA2 -0.04 0.10 -0.10 -0.51 4.01 3.46 1czfA1 GLY 228 HA3 -0.07 0.20 0.77 -0.51 4.01 4.41 1czfA1 SER 229 H -0.10 0.04 -0.02 -0.55 8.46 7.83 1czfA1 SER 229 HA -0.12 0.20 0.29 -0.75 4.49 4.11 1czfA1 SER 229 HB2 -0.07 0.04 -0.02 -0.04 3.95 3.85 1czfA1 SER 229 HB3 -0.08 0.01 -0.25 -0.04 3.93 3.57 1czfA1 VAL 230 H -0.03 0.50 0.31 -0.55 8.24 8.47 1czfA1 VAL 230 HA -0.01 0.24 0.91 -0.75 4.13 4.51 1czfA1 VAL 230 HB 0.00 -0.05 0.14 -0.04 2.12 2.17 1czfA1 VAL 230 HG13 0.00 0.00 -0.15 -0.04 0.97 0.79 1czfA1 VAL 230 HG23 -0.01 0.03 -0.09 -0.04 0.95 0.84 1czfA1 GLY 231 H -0.00 0.22 0.19 -0.55 8.43 8.29 1czfA1 GLY 231 HA2 0.01 0.13 0.41 -0.51 4.01 4.05 1czfA1 GLY 231 HA3 0.01 0.13 0.90 -0.51 4.01 4.55 1czfA1 ASP 232 H 0.01 0.14 0.19 -0.55 8.40 8.19 1czfA1 ASP 232 HA 0.01 0.04 0.35 -0.75 4.63 4.28 1czfA1 ASP 232 HB2 0.01 0.14 -0.28 -0.04 2.71 2.54 1czfA1 ASP 232 HB3 0.01 0.01 0.20 -0.04 2.70 2.88 1czfA1 ARG 233 H 0.00 0.04 -0.24 -0.55 8.46 7.70 1czfA1 ARG 233 HA -0.00 0.25 0.83 -0.75 4.34 4.66 1czfA1 ARG 233 HB2 -0.01 0.10 -0.08 -0.04 1.90 1.87 1czfA1 ARG 233 HB3 -0.01 -0.15 0.15 -0.04 1.80 1.75 1czfA1 ARG 233 HG2 -0.01 0.04 -0.02 -0.04 1.67 1.64 1czfA1 ARG 233 HG3 -0.00 0.19 -0.25 -0.04 1.67 1.57 1czfA1 ARG 233 HD2 -0.01 0.09 0.03 -0.04 3.22 3.28 1czfA1 ARG 233 HD3 -0.02 -0.07 0.01 -0.04 3.22 3.10 1czfA1 SER 234 H -0.01 0.19 0.12 -0.55 8.46 8.22 1czfA1 SER 234 HA -0.00 0.13 0.51 -0.75 4.49 4.37 1czfA1 SER 234 HB2 -0.01 0.03 0.11 -0.04 3.95 4.03 1czfA1 SER 234 HB3 -0.01 0.03 0.10 -0.04 3.93 4.01 1czfA1 ASN 235 H -0.01 0.10 -0.35 -0.55 8.53 7.72 1czfA1 ASN 235 HA -0.00 0.15 0.76 -0.75 4.76 4.91 1czfA1 ASN 235 HB2 -0.01 0.08 -0.14 -0.04 2.88 2.77 1czfA1 ASN 235 HB3 -0.01 -0.03 0.12 -0.04 2.79 2.83 1czfA1 ASN 235 HD21 -0.00 0.02 0.01 -0.04 7.03 7.02 1czfA1 ASN 235 HD22 -0.01 -0.00 0.02 -0.04 7.74 7.70 1czfA1 ASN 236 H 0.00 0.22 0.03 -0.55 8.53 8.23 1czfA1 ASN 236 HA -0.00 0.29 0.94 -0.75 4.76 5.23 1czfA1 ASN 236 HB2 0.01 0.02 0.21 -0.04 2.88 3.07 1czfA1 ASN 236 HB3 0.01 0.02 0.32 -0.04 2.79 3.10 1czfA1 ASN 236 HD21 0.00 0.20 0.02 -0.04 7.03 7.21 1czfA1 ASN 236 HD22 0.00 0.05 -0.02 -0.04 7.74 7.74 1czfA1 VAL 237 H -0.00 0.10 -0.12 -0.55 8.24 7.67 1czfA1 VAL 237 HA 0.01 0.33 1.17 -0.75 4.13 4.88 1czfA1 VAL 237 HB 0.00 -0.07 0.13 -0.04 2.12 2.14 1czfA1 VAL 237 HG13 0.00 0.02 -0.19 -0.04 0.97 0.76 1czfA1 VAL 237 HG23 0.01 -0.02 -0.07 -0.04 0.95 0.83 1czfA1 VAL 238 H 0.00 0.91 0.43 -0.55 8.24 9.04 1czfA1 VAL 238 HA -0.00 0.22 0.90 -0.75 4.13 4.50 1czfA1 VAL 238 HB -0.00 -0.05 0.19 -0.04 2.12 2.22 1czfA1 VAL 238 HG13 -0.02 -0.01 -0.18 -0.04 0.97 0.73 1czfA1 VAL 238 HG23 -0.01 -0.02 -0.34 -0.04 0.95 0.54 1czfA1 LYS 239 H -0.00 0.71 0.32 -0.55 8.42 8.89 1czfA1 LYS 239 HA -0.00 0.29 0.97 -0.75 4.32 4.82 1czfA1 LYS 239 HB2 0.00 0.01 -0.19 -0.04 1.87 1.65 1czfA1 LYS 239 HB3 0.00 -0.04 0.07 -0.04 1.79 1.78 1czfA1 LYS 239 HG2 -0.00 0.00 -0.21 -0.04 1.46 1.21 1czfA1 LYS 239 HG3 0.00 -0.01 -0.02 -0.04 1.46 1.39 1czfA1 LYS 239 HD2 0.01 -0.00 -0.06 -0.04 1.69 1.59 1czfA1 LYS 239 HD3 0.00 -0.02 -0.05 -0.04 1.68 1.56 1czfA1 LYS 239 HE2 0.00 -0.00 -0.05 -0.04 2.99 2.90 1czfA1 LYS 239 HE3 0.00 0.00 -0.04 -0.04 2.99 2.91 1czfA1 ASN 240 H -0.01 0.63 0.31 -0.55 8.53 8.91 1czfA1 ASN 240 HA -0.02 0.37 0.62 -0.75 4.76 4.97 1czfA1 ASN 240 HB2 -0.01 -0.01 -0.01 -0.04 2.88 2.81 1czfA1 ASN 240 HB3 -0.01 -0.09 0.22 -0.04 2.79 2.87 1czfA1 ASN 240 HD21 -0.05 0.03 0.04 -0.04 7.03 7.01 1czfA1 ASN 240 HD22 -0.02 -0.02 0.08 -0.04 7.74 7.73 1czfA1 VAL 241 H -0.04 0.50 0.29 -0.55 8.24 8.44 1czfA1 VAL 241 HA -0.00 0.26 1.05 -0.75 4.13 4.68 1czfA1 VAL 241 HB -0.10 -0.06 0.08 -0.04 2.12 2.00 1czfA1 VAL 241 HG13 -0.11 -0.01 -0.20 -0.04 0.97 0.62 1czfA1 VAL 241 HG23 -0.03 -0.02 -0.31 -0.04 0.95 0.55 1czfA1 THR 242 H 0.07 0.81 0.38 -0.55 8.28 8.99 1czfA1 THR 242 HA -0.07 0.19 1.10 -0.75 4.39 4.86 1czfA1 THR 242 HB 0.22 -0.03 0.22 -0.04 4.32 4.70 1czfA1 THR 242 HG23 0.10 -0.01 -0.12 -0.04 1.22 1.15 1czfA1 ILE 243 H -0.23 0.87 0.37 -0.55 8.25 8.71 1czfA1 ILE 243 HA 0.03 0.24 1.01 -0.75 4.18 4.71 1czfA1 ILE 243 HB -0.72 0.01 0.25 -0.04 1.89 1.38 1czfA1 ILE 243 HG12 -0.27 -0.00 -0.08 -0.04 1.49 1.09 1czfA1 ILE 243 HG13 -0.28 -0.09 -0.42 -0.04 1.21 0.38 1czfA1 ILE 243 HG23 -0.17 -0.02 -0.07 -0.04 0.93 0.64 1czfA1 ILE 243 HD13 -0.54 -0.01 -0.17 -0.04 0.88 0.13 1czfA1 GLU 244 H 0.08 0.75 0.47 -0.55 8.60 9.35 1czfA1 GLU 244 HA -0.06 0.27 1.01 -0.75 4.29 4.75 1czfA1 GLU 244 HB2 -0.32 0.02 0.14 -0.04 2.09 1.88 1czfA1 GLU 244 HB3 -0.03 -0.06 -0.21 -0.04 1.99 1.65 1czfA1 GLU 244 HG2 0.23 0.07 -0.06 -0.04 2.34 2.54 1czfA1 GLU 244 HG3 0.21 -0.06 -0.11 -0.04 2.34 2.34 1czfA1 HIS 245 H -0.35 0.52 0.43 -0.55 8.41 8.47 1czfA1 HIS 245 HA 0.02 0.19 0.55 -0.75 4.63 4.63 1czfA1 HIS 245 HB2 -0.01 -0.15 0.12 -0.04 3.26 3.19 1czfA1 HIS 245 HB3 0.00 0.02 0.33 -0.04 3.20 3.50 1czfA1 HIS 245 HD2 0.10 -0.02 -0.07 -0.04 6.97 6.94 1czfA1 HIS 245 HE1 0.03 -0.01 0.02 -0.04 7.75 7.74 1czfA1 SER 246 H 0.03 0.28 -0.01 -0.55 8.46 8.22 1czfA1 SER 246 HA 0.07 0.35 1.04 -0.75 4.49 5.19 1czfA1 SER 246 HB2 0.09 -0.05 -0.09 -0.04 3.95 3.86 1czfA1 SER 246 HB3 0.17 0.01 -0.07 -0.04 3.93 4.00 1czfA1 THR 247 H 0.01 0.68 0.35 -0.55 8.28 8.77 1czfA1 THR 247 HA -0.01 0.25 1.13 -0.75 4.39 5.00 1czfA1 THR 247 HB -0.02 -0.02 0.18 -0.04 4.32 4.42 1czfA1 THR 247 HG23 -0.02 -0.01 -0.14 -0.04 1.22 1.01 1czfA1 VAL 248 H -0.04 0.79 0.45 -0.55 8.24 8.90 1czfA1 VAL 248 HA -0.08 0.29 1.09 -0.75 4.13 4.68 1czfA1 VAL 248 HB -0.05 -0.05 0.17 -0.04 2.12 2.15 1czfA1 VAL 248 HG13 -0.05 0.01 -0.12 -0.04 0.97 0.77 1czfA1 VAL 248 HG23 -0.04 -0.01 -0.10 -0.04 0.95 0.76 1czfA1 SER 249 H -0.12 0.79 0.40 -0.55 8.46 8.98 1czfA1 SER 249 HA -0.07 0.30 1.06 -0.75 4.49 5.02 1czfA1 SER 249 HB2 -0.15 -0.04 0.05 -0.04 3.95 3.77 1czfA1 SER 249 HB3 -0.09 -0.01 -0.03 -0.04 3.93 3.76 1czfA1 ASN 250 H -0.06 0.33 0.27 -0.55 8.53 8.53 1czfA1 ASN 250 HA -0.04 0.30 0.55 -0.75 4.76 4.81 1czfA1 ASN 250 HB2 -0.12 -0.06 -0.04 -0.04 2.88 2.62 1czfA1 ASN 250 HB3 -0.05 0.05 0.26 -0.04 2.79 3.01 1czfA1 ASN 250 HD21 -0.03 0.00 -0.02 -0.04 7.03 6.94 1czfA1 ASN 250 HD22 -0.08 -0.01 -0.04 -0.04 7.74 7.57 1czfA1 SER 251 H -0.04 0.19 -0.18 -0.55 8.46 7.88 1czfA1 SER 251 HA -0.00 0.39 0.71 -0.75 4.49 4.82 1czfA1 SER 251 HB2 -0.03 -0.01 -0.34 -0.04 3.95 3.52 1czfA1 SER 251 HB3 -0.00 -0.10 -0.32 -0.04 3.93 3.47 1czfA1 GLU 252 H 0.06 0.68 0.28 -0.55 8.60 9.07 1czfA1 GLU 252 HA -0.05 -0.05 0.46 -0.75 4.29 3.90 1czfA1 GLU 252 HB2 -0.13 0.11 0.07 -0.04 2.09 2.11 1czfA1 GLU 252 HB3 -0.14 -0.05 0.12 -0.04 1.99 1.87 1czfA1 GLU 252 HG2 -0.09 -0.06 -0.19 -0.04 2.34 1.96 1czfA1 GLU 252 HG3 -0.13 0.01 -0.01 -0.04 2.34 2.16 1czfA1 ASN 253 H 0.01 0.16 -0.24 -0.55 8.53 7.92 1czfA1 ASN 253 HA 0.03 0.37 0.72 -0.75 4.76 5.14 1czfA1 ASN 253 HB2 0.01 0.16 -0.29 -0.04 2.88 2.72 1czfA1 ASN 253 HB3 0.05 0.03 -0.17 -0.04 2.79 2.66 1czfA1 ASN 253 HD21 -0.04 -0.03 -0.17 -0.04 7.03 6.76 1czfA1 ASN 253 HD22 0.01 0.41 -0.04 -0.04 7.74 8.08 1czfA1 ALA 254 H -0.02 0.45 0.09 -0.55 8.40 8.38 1czfA1 ALA 254 HA -0.05 0.06 0.83 -0.75 4.34 4.43 1czfA1 ALA 254 HB3 -0.06 0.06 0.06 -0.04 1.41 1.43 1czfA1 VAL 255 H -0.13 0.75 0.33 -0.55 8.24 8.64 1czfA1 VAL 255 HA -0.38 0.21 0.87 -0.75 4.13 4.08 1czfA1 VAL 255 HB -0.34 -0.04 0.25 -0.04 2.12 1.95 1czfA1 VAL 255 HG13 -1.31 -0.00 -0.13 -0.04 0.97 -0.51 1czfA1 VAL 255 HG23 -0.35 -0.00 -0.07 -0.04 0.95 0.49 1czfA1 ARG 256 H -0.15 0.60 0.24 -0.55 8.46 8.59 1czfA1 ARG 256 HA -0.12 0.37 1.00 -0.75 4.34 4.83 1czfA1 ARG 256 HB2 -0.04 -0.01 -0.37 -0.04 1.90 1.44 1czfA1 ARG 256 HB3 -0.04 -0.03 -0.22 -0.04 1.80 1.47 1czfA1 ARG 256 HG2 -0.07 -0.04 -0.44 -0.04 1.67 1.07 1czfA1 ARG 256 HG3 -0.07 0.05 -0.15 -0.04 1.67 1.46 1czfA1 ARG 256 HD2 -0.04 -0.03 -0.21 -0.04 3.22 2.91 1czfA1 ARG 256 HD3 0.01 -0.00 -0.20 -0.04 3.22 2.99 1czfA1 ILE 257 H -0.08 0.70 0.36 -0.55 8.25 8.68 1czfA1 ILE 257 HA -0.02 0.24 0.98 -0.75 4.18 4.61 1czfA1 ILE 257 HB -0.04 -0.09 0.18 -0.04 1.89 1.89 1czfA1 ILE 257 HG12 0.06 0.05 -0.01 -0.04 1.49 1.54 1czfA1 ILE 257 HG13 -0.05 -0.06 -0.40 -0.04 1.21 0.66 1czfA1 ILE 257 HG23 -0.00 -0.00 -0.12 -0.04 0.93 0.77 1czfA1 ILE 257 HD13 -0.05 -0.01 -0.11 -0.04 0.88 0.67 1czfA1 LYS 258 H -0.07 0.73 0.30 -0.55 8.42 8.84 1czfA1 LYS 258 HA -0.03 0.33 1.07 -0.75 4.32 4.93 1czfA1 LYS 258 HB2 -0.27 -0.06 0.03 -0.04 1.87 1.53 1czfA1 LYS 258 HB3 -0.47 -0.01 -0.05 -0.04 1.79 1.21 1czfA1 LYS 258 HG2 -0.19 0.00 -0.12 -0.04 1.46 1.11 1czfA1 LYS 258 HG3 -0.17 -0.03 -0.39 -0.04 1.46 0.82 1czfA1 LYS 258 HD2 -1.44 -0.01 -0.16 -0.04 1.69 0.03 1czfA1 LYS 258 HD3 -0.35 0.02 -0.18 -0.04 1.68 1.13 1czfA1 LYS 258 HE2 -0.16 0.02 -0.30 -0.04 2.99 2.52 1czfA1 LYS 258 HE3 -0.26 -0.05 -0.35 -0.04 2.99 2.29 1czfA1 THR 259 H 0.06 0.50 0.38 -0.55 8.28 8.68 1czfA1 THR 259 HA 0.01 0.09 0.93 -0.75 4.39 4.67 1czfA1 THR 259 HB 0.03 0.08 0.04 -0.04 4.32 4.43 1czfA1 THR 259 HG23 0.03 0.01 -0.30 -0.04 1.22 0.92 1czfA1 ILE 260 H 0.03 0.68 0.21 -0.55 8.25 8.62 1czfA1 ILE 260 HA 0.12 0.08 0.73 -0.75 4.18 4.37 1czfA1 ILE 260 HB 0.03 -0.05 0.06 -0.04 1.89 1.89 1czfA1 ILE 260 HG12 0.08 -0.05 -0.17 -0.04 1.49 1.31 1czfA1 ILE 260 HG13 0.02 -0.08 -0.31 -0.04 1.21 0.80 1czfA1 ILE 260 HG23 0.05 0.07 -0.11 -0.04 0.93 0.89 1czfA1 ILE 260 HD13 0.02 0.02 -0.29 -0.04 0.88 0.59 1czfA1 SER 261 H 0.08 0.63 0.12 -0.55 8.46 8.73 1czfA1 SER 261 HA 0.03 0.05 0.46 -0.75 4.49 4.28 1czfA1 SER 261 HB2 0.03 -0.02 -0.03 -0.04 3.95 3.89 1czfA1 SER 261 HB3 0.02 0.04 -0.02 -0.04 3.93 3.93 1czfA1 GLY 262 H 0.02 0.07 0.23 -0.55 8.43 8.20 1czfA1 GLY 262 HA2 0.01 -0.04 0.38 -0.51 4.01 3.85 1czfA1 GLY 262 HA3 0.01 0.10 0.45 -0.51 4.01 4.06 1czfA1 ALA 263 H 0.03 0.41 -0.54 -0.55 8.40 7.75 1czfA1 ALA 263 HA 0.02 0.09 0.55 -0.75 4.34 4.24 1czfA1 ALA 263 HB3 0.02 0.00 0.10 -0.04 1.41 1.49 1czfA1 THR 264 H 0.01 0.08 0.23 -0.55 8.28 8.05 1czfA1 THR 264 HA 0.01 0.31 0.69 -0.75 4.39 4.65 1czfA1 THR 264 HB 0.01 0.05 0.17 -0.04 4.32 4.51 1czfA1 THR 264 HG23 0.01 0.01 -0.04 -0.04 1.22 1.16 1czfA1 GLY 265 H 0.01 0.55 0.37 -0.55 8.43 8.81 1czfA1 GLY 265 HA2 0.01 -0.04 0.33 -0.51 4.01 3.80 1czfA1 GLY 265 HA3 0.01 0.16 0.72 -0.51 4.01 4.39 1czfA1 SER 266 H 0.01 0.69 0.41 -0.55 8.46 9.03 1czfA1 SER 266 HA 0.03 0.13 1.03 -0.75 4.49 4.93 1czfA1 SER 266 HB2 0.02 0.03 -0.17 -0.04 3.95 3.79 1czfA1 SER 266 HB3 0.01 -0.08 0.09 -0.04 3.93 3.91 1czfA1 VAL 267 H 0.04 0.79 0.30 -0.55 8.24 8.82 1czfA1 VAL 267 HA 0.01 0.22 1.03 -0.75 4.13 4.64 1czfA1 VAL 267 HB 0.04 0.10 0.27 -0.04 2.12 2.49 1czfA1 VAL 267 HG13 0.00 -0.03 -0.13 -0.04 0.97 0.78 1czfA1 VAL 267 HG23 0.01 -0.02 -0.14 -0.04 0.95 0.76 1czfA1 SER 268 H 0.01 0.61 0.33 -0.55 8.46 8.86 1czfA1 SER 268 HA 0.03 0.44 0.81 -0.75 4.49 5.03 1czfA1 SER 268 HB2 0.04 -0.02 0.08 -0.04 3.95 4.00 1czfA1 SER 268 HB3 0.04 0.01 -0.20 -0.04 3.93 3.73 1czfA1 GLU 269 H 0.02 0.42 0.34 -0.55 8.60 8.83 1czfA1 GLU 269 HA -0.00 0.18 0.51 -0.75 4.29 4.22 1czfA1 GLU 269 HB2 -0.01 -0.17 0.18 -0.04 2.09 2.05 1czfA1 GLU 269 HB3 -0.01 0.02 0.27 -0.04 1.99 2.22 1czfA1 GLU 269 HG2 0.01 0.05 0.07 -0.04 2.34 2.43 1czfA1 GLU 269 HG3 0.01 -0.04 -0.07 -0.04 2.34 2.20 1czfA1 ILE 270 H -0.04 0.39 0.08 -0.55 8.25 8.13 1czfA1 ILE 270 HA -0.09 0.21 0.96 -0.75 4.18 4.50 1czfA1 ILE 270 HB -0.07 -0.08 0.07 -0.04 1.89 1.76 1czfA1 ILE 270 HG12 -0.03 -0.04 -0.36 -0.04 1.49 1.02 1czfA1 ILE 270 HG13 -0.03 -0.01 -0.14 -0.04 1.21 0.98 1czfA1 ILE 270 HG23 -0.07 -0.00 -0.14 -0.04 0.93 0.68 1czfA1 ILE 270 HD13 -0.04 -0.00 -0.22 -0.04 0.88 0.57 1czfA1 THR 271 H -0.15 0.80 0.45 -0.55 8.28 8.83 1czfA1 THR 271 HA -0.04 0.28 1.15 -0.75 4.39 5.03 1czfA1 THR 271 HB -0.06 -0.06 0.19 -0.04 4.32 4.36 1czfA1 THR 271 HG23 -0.03 -0.01 -0.17 -0.04 1.22 0.96 1czfA1 TYR 272 H 0.06 0.72 0.37 -0.55 8.29 8.88 1czfA1 TYR 272 HA -0.09 0.36 0.97 -0.75 4.56 5.05 1czfA1 TYR 272 HB2 -0.18 -0.05 0.23 -0.04 3.06 3.01 1czfA1 TYR 272 HB3 -0.15 -0.02 0.05 -0.04 2.98 2.82 1czfA1 TYR 272 HD2 -0.14 0.01 -0.10 -0.04 7.15 6.88 1czfA1 TYR 272 HE2 -0.14 0.02 -0.04 -0.04 6.85 6.65 1czfA1 SER 273 H -0.05 0.64 0.33 -0.55 8.46 8.84 1czfA1 SER 273 HA -0.08 0.37 1.13 -0.75 4.49 5.16 1czfA1 SER 273 HB2 -0.06 -0.02 -0.17 -0.04 3.95 3.65 1czfA1 SER 273 HB3 -0.10 -0.04 0.04 -0.04 3.93 3.79 1czfA1 ASN 274 H -0.09 0.70 0.42 -0.55 8.53 9.02 1czfA1 ASN 274 HA -0.06 0.19 0.59 -0.75 4.76 4.73 1czfA1 ASN 274 HB2 -0.44 -0.07 0.09 -0.04 2.88 2.41 1czfA1 ASN 274 HB3 -0.01 -0.01 0.32 -0.04 2.79 3.05 1czfA1 ASN 274 HD21 0.03 0.00 -0.02 -0.04 7.03 7.00 1czfA1 ASN 274 HD22 -0.27 -0.03 -0.09 -0.04 7.74 7.31 1czfA1 ILE 275 H -0.06 0.44 0.26 -0.55 8.25 8.34 1czfA1 ILE 275 HA -0.01 0.35 1.00 -0.75 4.18 4.77 1czfA1 ILE 275 HB -0.06 -0.11 0.11 -0.04 1.89 1.79 1czfA1 ILE 275 HG12 0.01 -0.07 -0.37 -0.04 1.49 1.01 1czfA1 ILE 275 HG13 0.11 -0.03 -0.10 -0.04 1.21 1.14 1czfA1 ILE 275 HG23 -0.03 0.01 -0.17 -0.04 0.93 0.69 1czfA1 ILE 275 HD13 0.04 0.03 -0.19 -0.04 0.88 0.71 1czfA1 VAL 276 H -0.01 0.52 0.38 -0.55 8.24 8.58 1czfA1 VAL 276 HA -0.03 0.33 1.03 -0.75 4.13 4.70 1czfA1 VAL 276 HB -0.01 -0.03 0.11 -0.04 2.12 2.15 1czfA1 VAL 276 HG13 -0.01 -0.01 -0.08 -0.04 0.97 0.83 1czfA1 VAL 276 HG23 -0.00 -0.01 -0.15 -0.04 0.95 0.75 1czfA1 MET 277 H -0.03 0.46 0.51 -0.55 8.47 8.86 1czfA1 MET 277 HA -0.04 0.41 1.11 -0.75 4.52 5.24 1czfA1 MET 277 HB2 -0.04 -0.00 0.02 -0.04 2.15 2.09 1czfA1 MET 277 HB3 -0.05 -0.04 -0.17 -0.04 2.03 1.73 1czfA1 MET 277 HG2 -0.04 0.14 -0.16 -0.04 2.63 2.53 1czfA1 MET 277 HG3 -0.03 0.08 -0.35 -0.04 2.56 2.22 1czfA1 MET 277 HE3 -0.08 0.01 -0.30 -0.04 2.10 1.69 1czfA1 SER 278 H -0.04 0.59 0.37 -0.55 8.46 8.83 1czfA1 SER 278 HA -0.03 0.22 0.48 -0.75 4.49 4.41 1czfA1 SER 278 HB2 -0.02 -0.06 0.14 -0.04 3.95 3.97 1czfA1 SER 278 HB3 -0.02 0.11 0.23 -0.04 3.93 4.21 1czfA1 GLY 279 H -0.03 0.18 0.06 -0.55 8.43 8.10 1czfA1 GLY 279 HA2 -0.03 0.08 0.28 -0.51 4.01 3.83 1czfA1 GLY 279 HA3 -0.03 -0.02 0.51 -0.51 4.01 3.96 1czfA1 ILE 280 H -0.03 0.11 -0.16 -0.55 8.25 7.62 1czfA1 ILE 280 HA -0.03 0.49 0.69 -0.75 4.18 4.57 1czfA1 ILE 280 HB -0.03 -0.10 -0.04 -0.04 1.89 1.68 1czfA1 ILE 280 HG12 -0.03 -0.04 -0.28 -0.04 1.49 1.10 1czfA1 ILE 280 HG13 -0.03 -0.01 -0.24 -0.04 1.21 0.89 1czfA1 ILE 280 HG23 -0.02 -0.01 -0.58 -0.04 0.93 0.28 1czfA1 ILE 280 HD13 -0.04 0.00 -0.46 -0.04 0.88 0.35 1czfA1 SER 281 H -0.04 0.55 0.19 -0.55 8.46 8.61 1czfA1 SER 281 HA -0.06 0.01 0.52 -0.75 4.49 4.20 1czfA1 SER 281 HB2 -0.06 -0.00 -0.03 -0.04 3.95 3.82 1czfA1 SER 281 HB3 -0.04 0.02 -0.06 -0.04 3.93 3.81 1czfA1 ASP 282 H -0.08 0.46 0.14 -0.55 8.40 8.37 1czfA1 ASP 282 HA -0.28 0.25 1.16 -0.75 4.63 5.00 1czfA1 ASP 282 HB2 -0.07 0.17 0.10 -0.04 2.71 2.86 1czfA1 ASP 282 HB3 -0.30 -0.05 -0.09 -0.04 2.70 2.22 1czfA1 TYR 283 H 0.01 0.48 0.24 -0.55 8.29 8.47 1czfA1 TYR 283 HA -0.01 0.48 0.78 -0.75 4.56 5.06 1czfA1 TYR 283 HB2 0.00 -0.06 -0.12 -0.04 3.06 2.84 1czfA1 TYR 283 HB3 0.03 0.01 -0.42 -0.04 2.98 2.55 1czfA1 TYR 283 HD2 0.04 0.00 -0.19 -0.04 7.15 6.96 1czfA1 TYR 283 HE2 -0.12 -0.03 -0.11 -0.04 6.85 6.56 1czfA1 GLY 284 H 0.10 0.55 0.17 -0.55 8.43 8.71 1czfA1 GLY 284 HA2 -0.00 -0.02 0.44 -0.51 4.01 3.92 1czfA1 GLY 284 HA3 0.01 0.07 0.30 -0.51 4.01 3.88 1czfA1 VAL 285 H 0.07 0.65 0.28 -0.55 8.24 8.69 1czfA1 VAL 285 HA -0.11 0.23 0.95 -0.75 4.13 4.46 1czfA1 VAL 285 HB 0.07 -0.07 0.14 -0.04 2.12 2.22 1czfA1 VAL 285 HG13 -0.01 -0.01 -0.19 -0.04 0.97 0.71 1czfA1 VAL 285 HG23 -0.17 -0.01 -0.17 -0.04 0.95 0.56 1czfA1 VAL 286 H -0.10 0.75 0.22 -0.55 8.24 8.57 1czfA1 VAL 286 HA -0.07 0.25 0.91 -0.75 4.13 4.47 1czfA1 VAL 286 HB -0.42 -0.00 -0.19 -0.04 2.12 1.47 1czfA1 VAL 286 HG13 -0.09 0.00 -0.05 -0.04 0.97 0.79 1czfA1 VAL 286 HG23 -0.39 -0.01 -0.16 -0.04 0.95 0.35 1czfA1 ILE 287 H -0.10 0.74 0.26 -0.55 8.25 8.61 1czfA1 ILE 287 HA -0.05 0.27 0.91 -0.75 4.18 4.56 1czfA1 ILE 287 HB 0.12 -0.07 0.14 -0.04 1.89 2.03 1czfA1 ILE 287 HG12 -0.11 0.05 -0.07 -0.04 1.49 1.32 1czfA1 ILE 287 HG13 -0.05 -0.08 -0.49 -0.04 1.21 0.54 1czfA1 ILE 287 HG23 0.13 -0.00 -0.14 -0.04 0.93 0.88 1czfA1 ILE 287 HD13 -0.31 -0.00 -0.14 -0.04 0.88 0.39 1czfA1 GLN 288 H -0.02 0.69 0.30 -0.55 8.47 8.89 1czfA1 GLN 288 HA -0.09 0.29 0.84 -0.75 4.36 4.64 1czfA1 GLN 288 HB2 -0.07 -0.06 0.08 -0.04 2.15 2.05 1czfA1 GLN 288 HB3 -0.29 0.03 -0.14 -0.04 2.02 1.58 1czfA1 GLN 288 HG2 0.07 0.08 -0.01 -0.04 2.40 2.50 1czfA1 GLN 288 HG3 0.29 -0.11 -0.10 -0.04 2.39 2.43 1czfA1 GLN 288 HE21 0.17 0.07 -0.09 -0.04 6.97 7.08 1czfA1 GLN 288 HE22 0.05 -0.11 -0.09 -0.04 7.69 7.50 1czfA1 GLN 289 H -0.00 0.51 0.22 -0.55 8.47 8.65 1czfA1 GLN 289 HA 0.07 0.13 0.92 -0.75 4.36 4.74 1czfA1 GLN 289 HB2 0.02 -0.02 0.21 -0.04 2.15 2.32 1czfA1 GLN 289 HB3 0.04 0.04 0.19 -0.04 2.02 2.24 1czfA1 GLN 289 HG2 0.06 0.01 -0.33 -0.04 2.40 2.10 1czfA1 GLN 289 HG3 0.05 0.09 -0.04 -0.04 2.39 2.45 1czfA1 GLN 289 HE21 0.06 0.63 0.05 -0.04 6.97 7.66 1czfA1 GLN 289 HE22 0.05 -0.12 -0.09 -0.04 7.69 7.49 1czfA1 ASP 290 H 0.10 0.12 -0.22 -0.55 8.40 7.85 1czfA1 ASP 290 HA 0.02 0.31 0.84 -0.75 4.63 5.06 1czfA1 ASP 290 HB2 -0.02 -0.13 0.06 -0.04 2.71 2.58 1czfA1 ASP 290 HB3 0.00 0.08 -0.60 -0.04 2.70 2.13 1czfA1 TYR 291 H 0.22 0.49 -0.02 -0.55 8.29 8.43 1czfA1 TYR 291 HA 0.02 0.21 0.48 -0.75 4.56 4.52 1czfA1 TYR 291 HB2 0.01 0.16 -0.09 -0.04 3.06 3.10 1czfA1 TYR 291 HB3 0.01 -0.05 -0.22 -0.04 2.98 2.68 1czfA1 TYR 291 HD2 0.01 -0.08 -0.33 -0.04 7.15 6.71 1czfA1 TYR 291 HE2 0.01 0.11 -0.15 -0.04 6.85 6.79 1czfA1 GLU 292 H -0.05 0.91 0.24 -0.55 8.60 9.14 1czfA1 GLU 292 HA 0.05 0.11 0.91 -0.75 4.29 4.60 1czfA1 GLU 292 HB2 0.01 -0.03 -0.13 -0.04 2.09 1.89 1czfA1 GLU 292 HB3 -0.01 0.11 0.11 -0.04 1.99 2.16 1czfA1 GLU 292 HG2 0.01 0.02 -0.18 -0.04 2.34 2.15 1czfA1 GLU 292 HG3 0.02 0.00 0.02 -0.04 2.34 2.34 1czfA1 ASP 293 H 0.05 0.19 0.10 -0.55 8.40 8.19 1czfA1 ASP 293 HA 0.04 0.05 0.32 -0.75 4.63 4.28 1czfA1 ASP 293 HB2 0.02 0.22 -0.00 -0.04 2.71 2.90 1czfA1 ASP 293 HB3 0.02 0.02 0.19 -0.04 2.70 2.90 1czfA1 GLY 294 H 0.12 0.00 -0.41 -0.55 8.43 7.60 1czfA1 GLY 294 HA2 0.21 -0.05 0.13 -0.51 4.01 3.80 1czfA1 GLY 294 HA3 0.11 0.13 0.30 -0.51 4.01 4.03 1czfA1 LYS 295 H 0.03 0.45 -0.54 -0.55 8.42 7.80 1czfA1 LYS 295 HA -0.07 0.20 0.95 -0.75 4.32 4.64 1czfA1 LYS 295 HB2 -0.04 0.06 0.01 -0.04 1.87 1.86 1czfA1 LYS 295 HB3 -0.06 0.06 0.00 -0.04 1.79 1.75 1czfA1 LYS 295 HG2 0.01 0.00 -0.10 -0.04 1.46 1.34 1czfA1 LYS 295 HG3 0.03 0.03 -0.39 -0.04 1.46 1.09 1czfA1 LYS 295 HD2 -0.00 0.00 -0.03 -0.04 1.69 1.62 1czfA1 LYS 295 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 1czfA1 LYS 295 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.90 1czfA1 LYS 295 HE3 0.02 0.05 -0.03 -0.04 2.99 2.98 1czfA1 PRO 296 HA -0.51 0.08 0.38 -0.51 4.44 3.89 1czfA1 PRO 296 HB2 -0.09 -0.01 -0.07 -0.04 2.28 2.06 1czfA1 PRO 296 HB3 -0.42 -0.03 -0.01 -0.04 2.02 1.52 1czfA1 PRO 296 HG2 -0.09 0.07 0.05 -0.04 2.03 2.02 1czfA1 PRO 296 HG3 -0.04 0.04 0.01 -0.04 2.03 2.00 1czfA1 PRO 296 HD2 -0.13 0.15 0.21 -0.04 3.68 3.87 1czfA1 PRO 296 HD3 -0.40 0.12 0.10 -0.04 3.65 3.43 1czfA1 THR 297 H -0.10 0.12 0.29 -0.55 8.28 8.04 1czfA1 THR 297 HA -0.04 0.29 0.99 -0.75 4.39 4.87 1czfA1 THR 297 HB -0.02 0.02 0.09 -0.04 4.32 4.37 1czfA1 THR 297 HG23 -0.04 0.06 -0.01 -0.04 1.22 1.19 1czfA1 GLY 298 H -0.00 -0.03 0.09 -0.55 8.43 7.94 1czfA1 GLY 298 HA2 0.10 -0.01 0.27 -0.51 4.01 3.85 1czfA1 GLY 298 HA3 0.04 0.21 0.58 -0.51 4.01 4.34 1czfA1 LYS 299 H 0.00 -0.01 -0.31 -0.55 8.42 7.55 1czfA1 LYS 299 HA 0.01 0.26 0.82 -0.75 4.32 4.66 1czfA1 LYS 299 HB2 -0.00 -0.06 0.09 -0.04 1.87 1.86 1czfA1 LYS 299 HB3 0.00 0.04 -0.01 -0.04 1.79 1.78 1czfA1 LYS 299 HG2 0.00 0.06 -0.13 -0.04 1.46 1.36 1czfA1 LYS 299 HG3 0.00 0.04 -0.35 -0.04 1.46 1.11 1czfA1 LYS 299 HD2 -0.00 -0.03 -0.04 -0.04 1.69 1.58 1czfA1 LYS 299 HD3 0.00 -0.02 -0.04 -0.04 1.68 1.59 1czfA1 LYS 299 HE2 0.00 0.08 -0.03 -0.04 2.99 2.99 1czfA1 LYS 299 HE3 -0.00 -0.02 -0.02 -0.04 2.99 2.90 1czfA1 PRO 300 HA 0.01 0.09 0.12 -0.51 4.44 4.14 1czfA1 PRO 300 HB2 -0.00 0.00 -0.62 -0.04 2.28 1.62 1czfA1 PRO 300 HB3 -0.02 -0.06 -0.27 -0.04 2.02 1.63 1czfA1 PRO 300 HG2 -0.01 -0.02 -0.09 -0.04 2.03 1.87 1czfA1 PRO 300 HG3 -0.02 0.12 -0.21 -0.04 2.03 1.88 1czfA1 PRO 300 HD2 0.00 0.13 0.16 -0.04 3.68 3.93 1czfA1 PRO 300 HD3 0.01 0.16 -0.15 -0.04 3.65 3.63 1czfA1 THR 301 H 0.02 0.49 0.28 -0.55 8.28 8.52 1czfA1 THR 301 HA 0.00 0.22 0.95 -0.75 4.39 4.80 1czfA1 THR 301 HB 0.01 -0.05 0.23 -0.04 4.32 4.47 1czfA1 THR 301 HG23 0.01 0.06 -0.03 -0.04 1.22 1.22 1czfA1 ASN 302 H 0.00 0.18 0.15 -0.55 8.53 8.33 1czfA1 ASN 302 HA 0.01 0.25 1.00 -0.75 4.76 5.27 1czfA1 ASN 302 HB2 -0.00 0.09 0.03 -0.04 2.88 2.96 1czfA1 ASN 302 HB3 -0.01 -0.22 -0.19 -0.04 2.79 2.33 1czfA1 ASN 302 HD21 -0.01 -0.03 0.04 -0.04 7.03 6.98 1czfA1 ASN 302 HD22 -0.02 0.49 0.16 -0.04 7.74 8.32 1czfA1 GLY 303 H 0.01 0.07 -0.04 -0.55 8.43 7.93 1czfA1 GLY 303 HA2 0.01 0.08 0.55 -0.51 4.01 4.13 1czfA1 GLY 303 HA3 0.01 0.22 0.34 -0.51 4.01 4.07 1czfA1 VAL 304 H 0.02 0.05 -0.24 -0.55 8.24 7.53 1czfA1 VAL 304 HA 0.02 0.26 0.84 -0.75 4.13 4.51 1czfA1 VAL 304 HB 0.03 -0.06 -0.05 -0.04 2.12 1.99 1czfA1 VAL 304 HG13 0.03 0.01 -0.37 -0.04 0.97 0.59 1czfA1 VAL 304 HG23 0.02 0.02 -0.47 -0.04 0.95 0.49 1czfA1 THR 305 H 0.03 0.41 0.23 -0.55 8.28 8.40 1czfA1 THR 305 HA 0.05 0.17 0.70 -0.75 4.39 4.57 1czfA1 THR 305 HB 0.06 0.02 0.11 -0.04 4.32 4.47 1czfA1 THR 305 HG23 0.02 0.02 0.03 -0.04 1.22 1.25 1czfA1 ILE 306 H 0.13 0.77 0.25 -0.55 8.25 8.85 1czfA1 ILE 306 HA 0.11 0.24 0.85 -0.75 4.18 4.63 1czfA1 ILE 306 HB 0.35 -0.07 0.14 -0.04 1.89 2.26 1czfA1 ILE 306 HG12 0.08 0.05 -0.19 -0.04 1.49 1.40 1czfA1 ILE 306 HG13 0.11 0.10 -0.44 -0.04 1.21 0.94 1czfA1 ILE 306 HG23 0.13 -0.03 -0.13 -0.04 0.93 0.87 1czfA1 ILE 306 HD13 0.12 -0.03 -0.21 -0.04 0.88 0.72 1czfA1 GLN 307 H 0.12 0.69 0.32 -0.55 8.47 9.06 1czfA1 GLN 307 HA 0.33 0.42 1.15 -0.75 4.36 5.52 1czfA1 GLN 307 HB2 0.11 -0.01 -0.03 -0.04 2.15 2.17 1czfA1 GLN 307 HB3 0.09 -0.06 0.09 -0.04 2.02 2.09 1czfA1 GLN 307 HG2 0.11 -0.03 0.02 -0.04 2.40 2.45 1czfA1 GLN 307 HG3 0.12 0.05 0.02 -0.04 2.39 2.54 1czfA1 GLN 307 HE21 0.03 0.00 -0.03 -0.04 6.97 6.94 1czfA1 GLN 307 HE22 0.05 0.01 -0.05 -0.04 7.69 7.65 1czfA1 ASP 308 H 0.27 0.55 0.46 -0.55 8.40 9.13 1czfA1 ASP 308 HA 0.15 0.30 0.55 -0.75 4.63 4.88 1czfA1 ASP 308 HB2 0.06 -0.10 -0.03 -0.04 2.71 2.59 1czfA1 ASP 308 HB3 0.04 -0.06 0.38 -0.04 2.70 3.02 1czfA1 VAL 309 H -0.05 0.22 0.00 -0.55 8.24 7.86 1czfA1 VAL 309 HA -0.18 0.29 0.88 -0.75 4.13 4.36 1czfA1 VAL 309 HB -2.05 -0.06 0.05 -0.04 2.12 0.01 1czfA1 VAL 309 HG13 -0.52 -0.01 -0.24 -0.04 0.97 0.17 1czfA1 VAL 309 HG23 -0.40 -0.00 -0.23 -0.04 0.95 0.28 1czfA1 LYS 310 H -0.06 0.82 0.36 -0.55 8.42 8.99 1czfA1 LYS 310 HA 0.08 0.22 1.11 -0.75 4.32 4.97 1czfA1 LYS 310 HB2 0.04 -0.03 -0.08 -0.04 1.87 1.76 1czfA1 LYS 310 HB3 -0.01 0.00 0.14 -0.04 1.79 1.88 1czfA1 LYS 310 HG2 -0.01 -0.01 -0.42 -0.04 1.46 0.97 1czfA1 LYS 310 HG3 0.04 -0.02 -0.11 -0.04 1.46 1.34 1czfA1 LYS 310 HD2 0.02 -0.00 -0.08 -0.04 1.69 1.59 1czfA1 LYS 310 HD3 -0.00 -0.01 -0.10 -0.04 1.68 1.53 1czfA1 LYS 310 HE2 -0.01 -0.02 -0.14 -0.04 2.99 2.79 1czfA1 LYS 310 HE3 0.02 -0.01 -0.10 -0.04 2.99 2.85 1czfA1 LEU 311 H -0.01 0.69 0.34 -0.55 8.37 8.85 1czfA1 LEU 311 HA -0.15 0.28 0.98 -0.75 4.35 4.71 1czfA1 LEU 311 HB2 -0.84 -0.01 0.17 -0.04 1.64 0.92 1czfA1 LEU 311 HB3 -0.73 -0.03 -0.01 -0.04 1.64 0.83 1czfA1 LEU 311 HG -0.32 0.06 0.08 -0.04 1.64 1.41 1czfA1 LEU 311 HD13 -0.20 0.01 -0.28 -0.04 0.93 0.42 1czfA1 LEU 311 HD23 -0.87 -0.01 -0.05 -0.04 0.89 -0.08 1czfA1 GLU 312 H -0.12 0.74 0.26 -0.55 8.60 8.94 1czfA1 GLU 312 HA -0.10 0.19 0.85 -0.75 4.29 4.48 1czfA1 GLU 312 HB2 -0.04 0.01 -0.15 -0.04 2.09 1.87 1czfA1 GLU 312 HB3 -0.06 0.00 0.10 -0.04 1.99 1.99 1czfA1 GLU 312 HG2 -0.04 -0.02 -0.18 -0.04 2.34 2.05 1czfA1 GLU 312 HG3 -0.02 -0.01 -0.01 -0.04 2.34 2.25 1czfA1 SER 313 H -0.11 0.56 0.14 -0.55 8.46 8.51 1czfA1 SER 313 HA -0.08 0.24 0.50 -0.75 4.49 4.40 1czfA1 SER 313 HB2 -0.05 -0.05 0.08 -0.04 3.95 3.88 1czfA1 SER 313 HB3 -0.04 0.02 0.24 -0.04 3.93 4.11 1czfA1 VAL 314 H -0.18 0.37 0.08 -0.55 8.24 7.96 1czfA1 VAL 314 HA -0.11 0.22 0.91 -0.75 4.13 4.39 1czfA1 VAL 314 HB -0.32 -0.08 0.12 -0.04 2.12 1.80 1czfA1 VAL 314 HG13 -0.19 -0.00 -0.14 -0.04 0.97 0.59 1czfA1 VAL 314 HG23 -0.20 -0.03 -0.19 -0.04 0.95 0.49 1czfA1 THR 315 H -0.06 0.73 0.30 -0.55 8.28 8.70 1czfA1 THR 315 HA -0.06 0.28 0.97 -0.75 4.39 4.83 1czfA1 THR 315 HB -0.03 -0.00 0.21 -0.04 4.32 4.46 1czfA1 THR 315 HG23 -0.05 -0.06 -0.21 -0.04 1.22 0.86 1czfA1 GLY 316 H -0.03 0.40 0.40 -0.55 8.43 8.66 1czfA1 GLY 316 HA2 -0.02 0.01 0.47 -0.51 4.01 3.96 1czfA1 GLY 316 HA3 -0.03 0.17 1.08 -0.51 4.01 4.72 1czfA1 SER 317 H -0.02 0.49 0.30 -0.55 8.46 8.68 1czfA1 SER 317 HA -0.01 0.25 1.04 -0.75 4.49 5.02 1czfA1 SER 317 HB2 -0.01 0.12 0.04 -0.04 3.95 4.05 1czfA1 SER 317 HB3 -0.01 -0.02 -0.05 -0.04 3.93 3.80 1czfA1 VAL 318 H -0.02 0.70 0.30 -0.55 8.24 8.67 1czfA1 VAL 318 HA -0.03 -0.10 0.72 -0.75 4.13 3.96 1czfA1 VAL 318 HB -0.04 0.07 -0.18 -0.04 2.12 1.94 1czfA1 VAL 318 HG13 -0.01 -0.02 -0.38 -0.04 0.97 0.51 1czfA1 VAL 318 HG23 -0.02 0.10 -0.50 -0.04 0.95 0.50 1czfA1 ASP 319 H -0.04 0.83 0.17 -0.55 8.40 8.81 1czfA1 ASP 319 HA -0.03 0.04 0.44 -0.75 4.63 4.33 1czfA1 ASP 319 HB2 -0.05 0.08 0.09 -0.04 2.71 2.79 1czfA1 ASP 319 HB3 -0.04 -0.11 0.09 -0.04 2.70 2.61 1czfA1 SER 320 H -0.03 0.08 0.20 -0.55 8.46 8.16 1czfA1 SER 320 HA -0.03 0.42 0.56 -0.75 4.49 4.68 1czfA1 SER 320 HB2 -0.02 0.02 0.09 -0.04 3.95 3.99 1czfA1 SER 320 HB3 -0.02 0.00 0.19 -0.04 3.93 4.06 1czfA1 GLY 321 H -0.05 -0.03 -0.26 -0.55 8.43 7.55 1czfA1 GLY 321 HA2 -0.06 0.11 0.54 -0.51 4.01 4.10 1czfA1 GLY 321 HA3 -0.06 -0.02 0.25 -0.51 4.01 3.67 1czfA1 ALA 322 H -0.07 0.18 -0.47 -0.55 8.40 7.50 1czfA1 ALA 322 HA -0.19 0.21 0.55 -0.75 4.34 4.15 1czfA1 ALA 322 HB3 -0.09 -0.01 -0.38 -0.04 1.41 0.88 1czfA1 THR 323 H -0.30 0.78 0.21 -0.55 8.28 8.41 1czfA1 THR 323 HA -0.04 0.17 0.83 -0.75 4.39 4.59 1czfA1 THR 323 HB -0.10 0.05 0.10 -0.04 4.32 4.33 1czfA1 THR 323 HG23 0.11 -0.06 -0.21 -0.04 1.22 1.02 1czfA1 GLU 324 H 0.03 0.68 0.12 -0.55 8.60 8.88 1czfA1 GLU 324 HA 0.03 -0.01 0.34 -0.75 4.29 3.90 1czfA1 GLU 324 HB2 0.05 -0.08 0.16 -0.04 2.09 2.17 1czfA1 GLU 324 HB3 0.04 0.03 -0.06 -0.04 1.99 1.96 1czfA1 GLU 324 HG2 0.01 -0.06 -0.33 -0.04 2.34 1.92 1czfA1 GLU 324 HG3 0.01 0.15 -0.29 -0.04 2.34 2.16 1czfA1 ILE 325 H 0.10 0.16 0.13 -0.55 8.25 8.09 1czfA1 ILE 325 HA 0.14 0.35 1.00 -0.75 4.18 4.91 1czfA1 ILE 325 HB 0.11 -0.21 0.17 -0.04 1.89 1.91 1czfA1 ILE 325 HG12 0.12 0.05 -0.10 -0.04 1.49 1.52 1czfA1 ILE 325 HG13 0.09 -0.15 -0.48 -0.04 1.21 0.63 1czfA1 ILE 325 HG23 0.22 0.05 -0.12 -0.04 0.93 1.04 1czfA1 ILE 325 HD13 0.22 0.02 -0.04 -0.04 0.88 1.04 1czfA1 TYR 326 H 0.14 0.71 0.23 -0.55 8.29 8.82 1czfA1 TYR 326 HA 0.00 0.05 0.80 -0.75 4.56 4.67 1czfA1 TYR 326 HB2 0.16 0.03 -0.20 -0.04 3.06 3.02 1czfA1 TYR 326 HB3 -0.28 -0.00 0.10 -0.04 2.98 2.75 1czfA1 TYR 326 HD2 -0.26 -0.04 -0.09 -0.04 7.15 6.73 1czfA1 TYR 326 HE2 -0.00 0.03 -0.18 -0.04 6.85 6.66 1czfA1 LEU 327 H -0.08 0.18 0.01 -0.55 8.37 7.93 1czfA1 LEU 327 HA -0.09 0.31 0.96 -0.75 4.35 4.78 1czfA1 LEU 327 HB2 -0.37 -0.05 0.08 -0.04 1.64 1.25 1czfA1 LEU 327 HB3 0.05 0.05 -0.02 -0.04 1.64 1.67 1czfA1 LEU 327 HG -0.13 -0.12 -0.40 -0.04 1.64 0.95 1czfA1 LEU 327 HD13 -0.70 0.02 -0.24 -0.04 0.93 -0.03 1czfA1 LEU 327 HD23 0.24 0.04 -0.19 -0.04 0.89 0.94 1czfA1 LEU 328 H -0.27 0.78 0.25 -0.55 8.37 8.59 1czfA1 LEU 328 HA -0.11 0.19 1.01 -0.75 4.35 4.69 1czfA1 LEU 328 HB2 -0.87 -0.01 -0.08 -0.04 1.64 0.64 1czfA1 LEU 328 HB3 -0.33 -0.19 0.26 -0.04 1.64 1.34 1czfA1 LEU 328 HG -0.06 0.06 -0.12 -0.04 1.64 1.48 1czfA1 LEU 328 HD13 0.04 0.05 0.04 -0.04 0.93 1.01 1czfA1 LEU 328 HD23 0.01 -0.05 -0.15 -0.04 0.89 0.66 1czfA1 CYS 329 H 0.01 0.63 0.06 -0.55 8.50 8.65 1czfA1 CYS 329 HA 0.03 0.03 0.78 -0.75 4.58 4.66 1czfA1 CYS 329 HB2 -0.05 0.09 -0.12 -0.04 2.97 2.86 1czfA1 CYS 329 HB3 -0.03 0.07 0.04 -0.04 2.97 3.01 1czfA1 GLY 330 H 0.01 0.11 0.08 -0.55 8.43 8.09 1czfA1 GLY 330 HA2 -0.01 0.19 0.24 -0.51 4.01 3.92 1czfA1 GLY 330 HA3 -0.00 0.13 -0.28 -0.51 4.01 3.35 1czfA1 SER 331 H -0.03 0.14 0.01 -0.55 8.46 8.04 1czfA1 SER 331 HA -0.07 0.09 0.54 -0.75 4.49 4.30 1czfA1 SER 331 HB2 -0.03 -0.02 0.17 -0.04 3.95 4.04 1czfA1 SER 331 HB3 -0.05 0.03 0.03 -0.04 3.93 3.91 1czfA1 GLY 332 H -0.09 0.23 0.22 -0.55 8.43 8.24 1czfA1 GLY 332 HA2 -0.08 0.03 0.33 -0.51 4.01 3.78 1czfA1 GLY 332 HA3 -0.05 0.10 0.37 -0.51 4.01 3.92 1czfA1 SER 333 H -0.03 0.13 -0.72 -0.55 8.46 7.30 1czfA1 SER 333 HA 0.01 0.13 0.45 -0.75 4.49 4.33 1czfA1 SER 333 HB2 0.04 0.17 0.03 -0.04 3.95 4.14 1czfA1 SER 333 HB3 0.01 0.13 -0.03 -0.04 3.93 3.99 1czfA1 CYS 334 H -0.06 0.16 -0.13 -0.55 8.50 7.92 1czfA1 CYS 334 HA 0.18 0.35 1.01 -0.75 4.58 5.36 1czfA1 CYS 334 HB2 -0.26 0.18 0.23 -0.04 2.97 3.08 1czfA1 CYS 334 HB3 -0.46 -0.04 0.05 -0.04 2.97 2.48 1czfA1 SER 335 H 0.16 0.54 0.30 -0.55 8.46 8.91 1czfA1 SER 335 HA -0.21 0.08 0.82 -0.75 4.49 4.42 1czfA1 SER 335 HB2 -0.03 -0.07 0.07 -0.04 3.95 3.88 1czfA1 SER 335 HB3 -0.05 0.16 -0.29 -0.04 3.93 3.71 1czfA1 ASP 336 H -0.04 0.14 0.18 -0.55 8.40 8.13 1czfA1 ASP 336 HA 0.09 0.05 0.47 -0.75 4.63 4.49 1czfA1 ASP 336 HB2 0.07 0.03 0.02 -0.04 2.71 2.80 1czfA1 ASP 336 HB3 0.14 0.01 0.10 -0.04 2.70 2.91 1czfA1 TRP 337 H 0.22 0.07 0.15 -0.55 7.97 7.86 1czfA1 TRP 337 HA 0.10 0.25 1.03 -0.75 4.62 5.25 1czfA1 TRP 337 HB2 0.06 -0.13 -0.01 -0.04 3.23 3.11 1czfA1 TRP 337 HB3 0.21 0.12 0.04 -0.04 3.23 3.56 1czfA1 TRP 337 HD1 0.06 0.15 -0.78 -0.04 7.22 6.60 1czfA1 TRP 337 HE1 0.04 0.42 -0.02 -0.04 10.20 10.61 1czfA1 TRP 337 HE3 -0.16 -0.00 -0.10 -0.04 7.59 7.29 1czfA1 TRP 337 HZ2 0.03 0.03 -0.05 -0.04 7.44 7.41 1czfA1 TRP 337 HZ3 -0.27 -0.02 -0.10 -0.04 7.13 6.69 1czfA1 TRP 337 HH2 -0.00 -0.02 -0.08 -0.04 7.19 7.04 1czfA1 THR 338 H 0.32 0.75 0.42 -0.55 8.28 9.22 1czfA1 THR 338 HA 0.23 0.11 0.77 -0.75 4.39 4.75 1czfA1 THR 338 HB 0.12 -0.06 0.13 -0.04 4.32 4.47 1czfA1 THR 338 HG23 0.10 0.01 -0.07 -0.04 1.22 1.21 1czfA1 TRP 339 H 0.33 0.23 0.02 -0.55 7.97 8.01 1czfA1 TRP 339 HA 0.05 0.17 0.94 -0.75 4.62 5.02 1czfA1 TRP 339 HB2 0.17 -0.12 -0.39 -0.04 3.23 2.85 1czfA1 TRP 339 HB3 0.09 0.21 0.07 -0.04 3.23 3.57 1czfA1 TRP 339 HD1 0.05 0.05 -0.02 -0.04 7.22 7.25 1czfA1 TRP 339 HE1 0.01 0.14 0.06 -0.04 10.20 10.37 1czfA1 TRP 339 HE3 0.15 0.06 -0.13 -0.04 7.59 7.62 1czfA1 TRP 339 HZ2 -0.03 0.09 -0.01 -0.04 7.44 7.45 1czfA1 TRP 339 HZ3 -0.21 -0.00 -0.12 -0.04 7.13 6.75 1czfA1 TRP 339 HH2 -0.05 -0.03 -0.13 -0.04 7.19 6.95 1czfA1 ASP 340 H -0.07 0.79 0.25 -0.55 8.40 8.81 1czfA1 ASP 340 HA 0.07 0.19 1.02 -0.75 4.63 5.15 1czfA1 ASP 340 HB2 -0.01 -0.02 0.16 -0.04 2.71 2.80 1czfA1 ASP 340 HB3 0.02 0.01 0.07 -0.04 2.70 2.76 1czfA1 ASP 341 H 0.01 0.23 0.14 -0.55 8.40 8.24 1czfA1 ASP 341 HA -0.02 0.11 0.31 -0.75 4.63 4.28 1czfA1 ASP 341 HB2 -0.05 -0.10 -0.02 -0.04 2.71 2.50 1czfA1 ASP 341 HB3 -0.04 0.04 0.19 -0.04 2.70 2.86 1czfA1 VAL 342 H -0.10 0.17 -0.21 -0.55 8.24 7.55 1czfA1 VAL 342 HA -0.24 0.24 0.90 -0.75 4.13 4.27 1czfA1 VAL 342 HB -0.34 0.02 0.10 -0.04 2.12 1.85 1czfA1 VAL 342 HG13 -0.33 -0.00 -0.08 -0.04 0.97 0.52 1czfA1 VAL 342 HG23 -1.23 -0.02 -0.21 -0.04 0.95 -0.55 1czfA1 LYS 343 H -0.08 0.59 0.11 -0.55 8.42 8.49 1czfA1 LYS 343 HA 0.01 0.15 0.80 -0.75 4.32 4.53 1czfA1 LYS 343 HB2 -0.00 -0.01 -0.18 -0.04 1.87 1.63 1czfA1 LYS 343 HB3 -0.02 -0.03 0.13 -0.04 1.79 1.82 1czfA1 LYS 343 HG2 -0.00 -0.02 -0.18 -0.04 1.46 1.21 1czfA1 LYS 343 HG3 0.01 0.04 -0.04 -0.04 1.46 1.44 1czfA1 LYS 343 HD2 0.01 0.01 -0.03 -0.04 1.69 1.63 1czfA1 LYS 343 HD3 -0.00 -0.03 -0.01 -0.04 1.68 1.60 1czfA1 LYS 343 HE2 0.00 -0.03 -0.05 -0.04 2.99 2.88 1czfA1 LYS 343 HE3 0.01 0.02 -0.04 -0.04 2.99 2.94 1czfA1 VAL 344 H 0.02 0.22 0.01 -0.55 8.24 7.93 1czfA1 VAL 344 HA -0.02 0.28 0.87 -0.75 4.13 4.51 1czfA1 VAL 344 HB 0.02 -0.07 -0.01 -0.04 2.12 2.03 1czfA1 VAL 344 HG13 0.00 0.03 -0.20 -0.04 0.97 0.76 1czfA1 VAL 344 HG23 -0.04 0.00 -0.29 -0.04 0.95 0.58 1czfA1 THR 345 H -0.01 0.69 0.38 -0.55 8.28 8.79 1czfA1 THR 345 HA 0.01 0.21 1.00 -0.75 4.39 4.85 1czfA1 THR 345 HB -0.00 -0.06 0.10 -0.04 4.32 4.32 1czfA1 THR 345 HG23 0.00 0.02 -0.19 -0.04 1.22 1.02 1czfA1 GLY 346 H -0.00 0.16 0.14 -0.55 8.43 8.18 1czfA1 GLY 346 HA2 -0.01 0.00 0.36 -0.51 4.01 3.85 1czfA1 GLY 346 HA3 -0.01 0.12 0.56 -0.51 4.01 4.17 1czfA1 GLY 347 H -0.01 -0.04 -0.47 -0.55 8.43 7.37 1czfA1 GLY 347 HA2 -0.03 0.33 0.83 -0.51 4.01 4.63 1czfA1 GLY 347 HA3 -0.02 0.00 0.03 -0.51 4.01 3.50 1czfA1 LYS 348 H -0.04 0.91 0.24 -0.55 8.42 8.99 1czfA1 LYS 348 HA -0.02 0.06 0.59 -0.75 4.32 4.21 1czfA1 LYS 348 HB2 -0.05 -0.07 0.05 -0.04 1.87 1.76 1czfA1 LYS 348 HB3 -0.03 -0.04 -0.02 -0.04 1.79 1.66 1czfA1 LYS 348 HG2 -0.03 -0.05 0.03 -0.04 1.46 1.36 1czfA1 LYS 348 HG3 -0.05 0.29 0.03 -0.04 1.46 1.69 1czfA1 LYS 348 HD2 -0.06 -0.01 0.00 -0.04 1.69 1.58 1czfA1 LYS 348 HD3 -0.09 0.06 -0.16 -0.04 1.68 1.46 1czfA1 LYS 348 HE2 -0.05 -0.08 -0.06 -0.04 2.99 2.76 1czfA1 LYS 348 HE3 -0.04 -0.02 -0.01 -0.04 2.99 2.88 1czfA1 LYS 349 H 0.00 0.22 0.17 -0.55 8.42 8.26 1czfA1 LYS 349 HA 0.03 -0.01 0.86 -0.75 4.32 4.44 1czfA1 LYS 349 HB2 0.02 0.05 0.12 -0.04 1.87 2.01 1czfA1 LYS 349 HB3 0.02 0.01 0.19 -0.04 1.79 1.97 1czfA1 LYS 349 HG2 0.03 0.10 -0.04 -0.04 1.46 1.51 1czfA1 LYS 349 HG3 0.03 -0.10 0.11 -0.04 1.46 1.47 1czfA1 LYS 349 HD2 0.03 -0.01 0.04 -0.04 1.69 1.71 1czfA1 LYS 349 HD3 0.02 -0.01 0.03 -0.04 1.68 1.68 1czfA1 LYS 349 HE2 0.03 -0.01 0.02 -0.04 2.99 2.99 1czfA1 LYS 349 HE3 0.04 0.11 0.02 -0.04 2.99 3.12 1czfA1 SER 350 H 0.05 0.12 0.18 -0.55 8.46 8.26 1czfA1 SER 350 HA 0.02 0.08 0.51 -0.75 4.49 4.35 1czfA1 SER 350 HB2 0.06 0.08 0.14 -0.04 3.95 4.19 1czfA1 SER 350 HB3 0.13 0.09 0.26 -0.04 3.93 4.36 1czfA1 THR 351 H 0.03 0.17 0.22 -0.55 8.28 8.15 1czfA1 THR 351 HA 0.06 0.21 0.86 -0.75 4.39 4.76 1czfA1 THR 351 HB 0.03 0.02 0.21 -0.04 4.32 4.54 1czfA1 THR 351 HG23 0.02 0.04 -0.03 -0.04 1.22 1.21 1czfA1 ALA 352 H 0.11 -0.04 0.02 -0.55 8.40 7.94 1czfA1 ALA 352 HA 0.10 0.30 0.87 -0.75 4.34 4.85 1czfA1 ALA 352 HB3 0.13 0.01 0.07 -0.04 1.41 1.58 1czfA1 CYS 353 H 0.16 0.01 -0.21 -0.55 8.50 7.91 1czfA1 CYS 353 HA 0.11 0.14 0.51 -0.75 4.58 4.59 1czfA1 CYS 353 HB2 0.16 0.02 0.01 -0.04 2.97 3.12 1czfA1 CYS 353 HB3 -0.03 0.07 0.07 -0.04 2.97 3.05 1czfA1 LYS 354 H 0.17 0.58 0.47 -0.55 8.42 9.09 1czfA1 LYS 354 HA -0.01 0.02 0.40 -0.75 4.32 3.98 1czfA1 LYS 354 HB2 -0.05 -0.08 0.14 -0.04 1.87 1.84 1czfA1 LYS 354 HB3 0.03 0.23 -0.10 -0.04 1.79 1.91 1czfA1 LYS 354 HG2 0.03 0.02 -0.03 -0.04 1.46 1.44 1czfA1 LYS 354 HG3 -0.01 0.07 -0.11 -0.04 1.46 1.36 1czfA1 LYS 354 HD2 -0.02 -0.05 -0.02 -0.04 1.69 1.56 1czfA1 LYS 354 HD3 0.02 0.05 -0.05 -0.04 1.68 1.65 1czfA1 LYS 354 HE2 0.02 0.06 0.03 -0.04 2.99 3.05 1czfA1 LYS 354 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.93 1czfA1 ASN 355 H -0.27 0.18 0.13 -0.55 8.53 8.02 1czfA1 ASN 355 HA -0.27 0.02 0.30 -0.75 4.76 4.06 1czfA1 ASN 355 HB2 -0.08 0.24 -0.27 -0.04 2.88 2.73 1czfA1 ASN 355 HB3 -0.13 -0.02 0.08 -0.04 2.79 2.69 1czfA1 ASN 355 HD21 -0.05 -0.05 -0.13 -0.04 7.03 6.76 1czfA1 ASN 355 HD22 -0.05 0.57 -0.22 -0.04 7.74 8.00 1czfA1 PHE 356 H -0.73 0.02 -0.42 -0.55 8.34 6.66 1czfA1 PHE 356 HA -0.64 0.16 0.68 -0.75 4.62 4.06 1czfA1 PHE 356 HB2 -0.59 0.02 -0.07 -0.04 3.15 2.48 1czfA1 PHE 356 HB3 -0.26 -0.03 -0.12 -0.04 3.06 2.61 1czfA1 PHE 356 HD2 -0.26 0.19 -0.36 -0.04 7.28 6.81 1czfA1 PHE 356 HE2 -0.14 0.17 -0.31 -0.04 7.38 7.06 1czfA1 PHE 356 HZ -0.09 0.02 -0.10 -0.04 7.32 7.11 1czfA1 PRO 357 HA -0.35 0.06 0.46 -0.51 4.44 4.10 1czfA1 PRO 357 HB2 -0.36 -0.05 0.04 -0.04 2.28 1.87 1czfA1 PRO 357 HB3 -0.29 -0.03 0.12 -0.04 2.02 1.78 1czfA1 PRO 357 HG2 -1.84 0.00 -0.18 -0.04 2.03 -0.03 1czfA1 PRO 357 HG3 -0.73 0.21 -0.11 -0.04 2.03 1.36 1czfA1 PRO 357 HD2 -2.32 0.06 0.09 -0.04 3.68 1.46 1czfA1 PRO 357 HD3 -1.28 0.25 0.12 -0.04 3.65 2.70 1czfA1 SER 358 H -0.20 0.12 0.19 -0.55 8.46 8.03 1czfA1 SER 358 HA -0.11 0.18 0.35 -0.75 4.49 4.15 1czfA1 SER 358 HB2 -0.07 0.05 0.10 -0.04 3.95 3.99 1czfA1 SER 358 HB3 -0.14 0.02 0.15 -0.04 3.93 3.91 1czfA1 VAL 359 H -0.06 -0.07 -0.45 -0.55 8.24 7.11 1czfA1 VAL 359 HA 0.03 0.09 0.46 -0.75 4.13 3.96 1czfA1 VAL 359 HB 0.06 -0.04 0.07 -0.04 2.12 2.16 1czfA1 VAL 359 HG13 0.17 0.04 -0.31 -0.04 0.97 0.83 1czfA1 VAL 359 HG23 0.16 0.01 0.07 -0.04 0.95 1.15 1czfA1 ALA 360 H -0.16 0.38 -0.29 -0.55 8.40 7.77 1czfA1 ALA 360 HA -1.64 0.08 0.55 -0.75 4.34 2.58 1czfA1 ALA 360 HB3 -1.02 -0.01 -0.06 -0.04 1.41 0.28 1czfA1 SER 361 H -0.95 0.23 0.13 -0.55 8.46 7.32 1czfA1 SER 361 HA -0.29 0.07 0.49 -0.75 4.49 4.00 1czfA1 SER 361 HB2 -0.02 0.17 -0.17 -0.04 3.95 3.88 1czfA1 SER 361 HB3 0.05 -0.05 -0.09 -0.04 3.93 3.80 1czfA1 CYS 362 H -0.17 0.15 0.02 -0.55 8.50 7.95 1czfA1 CYS 362 HA -0.01 0.15 0.59 -0.75 4.58 4.56 1czfA1 CYS 362 HB2 -0.05 0.10 0.10 -0.04 2.97 3.08 1czfA1 CYS 362 HB3 0.02 0.07 0.15 -0.04 2.97 3.16