#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf8 s TYR 8 N 0.00 3.27 0.16 -1.77 1.51 -1.26 -5.06 117.35 114.19 3kf8 s TYR 8 Ca 0.00 0.03 -0.33 0.00 -1.01 0.00 0.00 57.07 55.76 3kf8 s TYR 8 Cb 0.00 -1.57 -0.16 0.00 -0.11 0.00 0.00 41.96 40.12 3kf8 s TYR 8 CO 0.00 0.52 1.13 -2.30 -1.11 0.00 0.00 175.55 173.79 3kf8 n PRO 9 N -0.37 1.02 -3.99 -1.71 -0.02 -1.26 -4.98 135.00 123.69 3kf8 n PRO 9 Ca -0.08 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 3kf8 n PRO 9 Cb 0.54 -1.84 -0.14 0.00 -0.02 0.00 0.00 33.50 32.03 3kf8 n PRO 9 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kf8 s LYS 10 N -0.34 2.04 0.60 -0.52 1.02 -1.26 -5.11 119.74 116.17 3kf8 s LYS 10 Ca 0.74 -1.53 -0.19 0.00 0.02 0.00 0.00 55.97 55.01 3kf8 s LYS 10 Cb -0.89 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 3kf8 s LYS 10 CO 0.52 -0.74 1.27 0.99 -0.92 0.00 0.00 175.35 176.47 3kf8 s THR 11 N 1.08 2.32 -0.10 2.17 2.01 -1.26 -5.04 115.64 116.82 3kf8 s THR 11 Ca -0.01 0.21 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 3kf8 s THR 11 Cb -0.20 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.25 3kf8 s THR 11 CO -0.05 -0.04 0.25 -0.75 -0.69 0.00 0.00 174.62 173.35 3kf8 s LYS 12 N -3.25 0.28 -0.02 4.92 2.47 -1.26 -4.74 119.74 118.14 3kf8 s LYS 12 Ca 0.78 0.38 -0.01 0.00 -1.56 0.00 0.00 55.97 55.56 3kf8 s LYS 12 Cb -0.35 0.11 0.02 0.00 -1.46 0.00 0.00 37.83 36.15 3kf8 s LYS 12 CO 0.38 -0.05 0.05 0.42 0.16 0.00 0.00 175.35 176.31 3kf8 s ILE 13 N 0.30 -0.03 -0.30 5.43 1.01 -1.26 -5.13 121.20 121.23 3kf8 s ILE 13 Ca -0.01 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.56 3kf8 s ILE 13 Cb -0.03 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.33 3kf8 s ILE 13 CO -0.01 0.04 0.53 1.51 0.00 0.00 0.00 174.94 177.01 3kf8 s ASP 14 N 0.56 6.40 -0.25 3.58 -4.77 -1.26 -4.89 116.67 116.04 3kf8 s ASP 14 Ca -0.05 0.32 0.09 0.00 -3.30 0.00 0.00 52.55 49.62 3kf8 s ASP 14 Cb -0.06 -2.28 0.66 0.00 -1.09 0.00 0.00 42.92 40.14 3kf8 s ASP 14 CO -0.02 -0.38 1.62 0.79 0.70 0.00 0.00 175.17 177.88 3kf8 n TRP 15 N 5.67 2.00 0.00 2.11 7.02 -1.26 -5.03 117.44 127.94 3kf8 n TRP 15 Ca -0.04 -0.90 0.00 0.00 -1.02 0.00 0.00 57.50 55.54 3kf8 n TRP 15 Cb 0.49 -0.56 0.00 0.00 -2.42 0.00 0.00 31.31 28.82 3kf8 n TRP 15 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kf8 n GLY 16 N 0.14 -0.13 3.77 6.99 0.00 -1.26 -4.30 105.19 110.39 3kf8 n GLY 16 Ca 0.31 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 3kf8 n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kf8 s PRO 17 N -1.05 1.19 0.00 1.61 0.04 -1.26 -4.86 135.00 130.67 3kf8 s PRO 17 Ca 0.00 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.46 3kf8 s PRO 17 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 3kf8 s PRO 17 CO 0.00 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.26 3kf8 n GLY 18 N -1.93 0.39 1.82 0.56 0.00 -1.26 -2.43 105.19 102.34 3kf8 n GLY 18 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 3kf8 n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kf8 n GLU 19 N 2.16 1.42 0.10 1.61 -0.58 -1.26 -4.25 120.64 119.84 3kf8 n GLU 19 Ca 0.00 -0.51 -0.19 0.00 -0.42 0.00 0.00 57.16 56.04 3kf8 n GLU 19 Cb 0.00 -1.55 -0.12 0.00 -0.57 0.00 0.00 31.44 29.20 3kf8 n GLU 19 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 3kf8 h ASN 20 N 2.35 0.69 0.88 1.62 -0.00 -1.79 -3.23 115.58 116.10 3kf8 h ASN 20 Ca 0.10 -0.66 0.00 0.00 -0.00 0.00 0.00 56.30 55.73 3kf8 h ASN 20 Cb 1.18 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 39.28 3kf8 h ASN 20 CO 0.14 1.49 0.00 1.12 -0.00 0.00 0.00 177.43 180.18 3kf8 h HIS 21 N 0.20 0.00 -3.51 0.67 2.07 -1.75 -3.42 115.15 109.41 3kf8 h HIS 21 Ca -0.17 0.00 -0.61 0.00 -2.85 0.00 0.00 60.37 56.75 3kf8 h HIS 21 Cb 1.91 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 31.77 3kf8 h HIS 21 CO 0.09 0.00 -0.07 0.42 -3.07 0.00 0.00 177.93 175.31 3kf8 s ILE 22 N -3.54 5.11 -0.12 6.12 1.01 -1.22 -0.58 121.20 127.98 3kf8 s ILE 22 Ca 0.02 0.87 -0.09 0.00 0.00 0.00 0.00 60.65 61.45 3kf8 s ILE 22 Cb 0.09 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.68 3kf8 s ILE 22 CO 0.48 0.16 0.14 0.00 0.00 0.00 0.00 174.94 175.72 3kf8 s LEU 24 N -8.36 1.42 -0.03 0.00 2.96 -0.79 -4.99 118.68 108.88 3kf8 s LEU 24 Ca -0.09 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.42 3kf8 s LEU 24 Cb 0.00 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 3kf8 s LEU 24 CO 0.23 -0.03 0.49 -0.54 -1.32 0.00 0.00 176.35 175.18 3kf8 s LYS 25 N 0.96 4.19 0.06 1.98 3.01 -1.26 -1.28 119.74 127.40 3kf8 s LYS 25 Ca -0.10 0.53 0.07 0.00 -1.01 0.00 0.00 55.97 55.46 3kf8 s LYS 25 Cb -0.15 -3.32 -0.03 0.00 -1.01 0.00 0.00 37.83 33.32 3kf8 s LYS 25 CO 0.00 0.43 -0.18 0.99 0.51 0.00 0.00 175.35 177.10 3kf8 s THR 26 N -0.31 1.47 -1.97 2.17 2.01 0.02 -5.00 115.64 114.03 3kf8 s THR 26 Ca 0.27 -1.27 0.01 0.00 0.31 0.00 0.00 61.69 61.00 3kf8 s THR 26 Cb -0.17 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.04 3kf8 s THR 26 CO 0.14 0.02 0.55 -0.81 -0.69 0.00 0.00 174.62 173.82 3kf8 n PRO 27 N 1.55 0.02 0.00 4.92 -0.04 -1.26 -2.89 135.00 137.30 3kf8 n PRO 27 Ca -0.19 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3kf8 n PRO 27 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3kf8 n PRO 27 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kf8 n PHE 28 N -1.01 0.00 -4.10 0.54 3.01 -1.26 -5.14 117.46 109.50 3kf8 n PHE 28 Ca 0.01 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.32 3kf8 n PHE 28 Cb 0.00 0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.46 3kf8 n PHE 28 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 3kf8 s LYS 29 N -1.97 1.86 -0.08 -1.08 0.00 -1.14 -4.97 119.74 112.35 3kf8 s LYS 29 Ca 0.00 -1.75 0.05 0.00 0.00 0.00 0.00 55.97 54.27 3kf8 s LYS 29 Cb 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 37.83 38.26 3kf8 s LYS 29 CO 0.00 -0.76 -0.24 -0.80 0.00 0.00 0.00 175.35 173.55 3kf8 s ASN 30 N -3.24 3.02 -0.38 0.03 0.01 -1.26 -0.80 114.94 112.32 3kf8 s ASN 30 Ca 0.31 -0.53 -0.19 0.00 -0.71 0.00 0.00 52.86 51.74 3kf8 s ASN 30 Cb 0.00 -1.14 0.01 0.00 0.41 0.00 0.00 41.25 40.52 3kf8 s ASN 30 CO 0.20 0.19 0.56 -0.36 -1.51 0.00 0.00 177.10 176.19 3kf8 s PHE 31 N 0.14 3.14 0.57 2.20 0.40 -0.41 -4.96 117.98 119.06 3kf8 s PHE 31 Ca -0.12 0.10 -0.09 0.00 -0.60 0.00 0.00 56.93 56.22 3kf8 s PHE 31 Cb -0.16 -3.08 -0.04 0.00 0.51 0.00 0.00 43.02 40.26 3kf8 s PHE 31 CO 0.07 -0.66 0.93 0.71 0.70 0.00 0.00 175.22 176.97 3kf8 s TYR 32 N 2.55 3.59 0.71 0.36 1.51 -1.26 0.19 117.35 125.00 3kf8 s TYR 32 Ca 0.20 1.08 -0.14 0.00 -1.01 0.00 0.00 57.07 57.20 3kf8 s TYR 32 Cb -0.15 -2.56 0.03 0.00 -0.11 0.00 0.00 41.96 39.17 3kf8 s TYR 32 CO 0.15 -0.54 1.14 0.14 -1.11 0.00 0.00 175.55 175.34 3kf8 s VAL 33 N -3.00 2.86 0.41 0.71 -7.23 0.25 -4.61 120.40 109.79 3kf8 s VAL 33 Ca 0.52 0.39 0.15 0.00 -1.81 0.00 0.00 61.98 61.23 3kf8 s VAL 33 Cb -0.11 -2.89 0.36 0.00 0.56 0.00 0.00 36.38 34.30 3kf8 s VAL 33 CO 0.50 -0.26 1.88 0.16 -0.31 0.00 0.00 175.10 177.07 3kf8 h ILE 34 N -0.29 0.75 -0.47 -0.62 3.07 -1.97 -0.24 117.51 117.75 3kf8 h ILE 34 Ca -0.47 -0.16 0.14 0.00 1.55 0.00 0.00 64.86 65.92 3kf8 h ILE 34 Cb 1.26 0.24 -0.02 0.00 -0.27 0.00 0.00 36.82 38.03 3kf8 h ILE 34 CO 0.52 0.09 0.41 -0.33 -1.05 0.00 0.00 178.15 177.78 3kf8 h GLU 35 N 0.48 0.00 0.00 0.16 3.07 -1.96 0.13 114.58 116.46 3kf8 h GLU 35 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3kf8 h GLU 35 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 3kf8 h GLU 35 CO -0.17 0.00 -0.64 1.28 -1.40 0.00 0.00 179.01 178.08 3kf8 n LEU 36 N -4.03 0.61 -0.30 1.33 4.77 -0.10 -4.39 117.00 114.90 3kf8 n LEU 36 Ca 0.09 0.11 0.10 0.00 -0.03 0.00 0.00 56.01 56.28 3kf8 n LEU 36 Cb 0.61 -0.19 0.27 0.00 -2.33 0.00 0.00 43.42 41.77 3kf8 n LEU 36 CO 0.32 0.02 1.05 -0.26 -1.33 0.00 0.00 177.39 177.20 3kf8 h PHE 37 N 0.00 0.66 0.00 -1.77 -1.00 -0.75 0.38 116.94 114.46 3kf8 h PHE 37 Ca 0.00 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.82 3kf8 h PHE 37 Cb 0.66 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.06 3kf8 h PHE 37 CO 0.00 0.03 0.00 -2.39 -1.61 0.00 0.00 178.31 174.34 3kf8 n HIS 38 N -4.99 0.66 0.17 -0.55 1.44 -1.26 -1.51 115.22 109.17 3kf8 n HIS 38 Ca 0.20 0.31 0.12 0.00 -2.01 0.00 0.00 57.72 56.33 3kf8 n HIS 38 Cb 0.56 -0.99 0.09 0.00 0.12 0.00 0.00 29.99 29.77 3kf8 n HIS 38 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 3kf8 h GLN 39 N 0.00 0.00 -6.73 -1.40 1.08 -0.52 -3.47 115.11 104.07 3kf8 h GLN 39 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 3kf8 h GLN 39 Cb 0.15 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.63 3kf8 h GLN 39 CO 0.00 0.00 0.76 0.00 -0.95 0.00 0.00 178.83 178.64 3kf8 s ALA 40 N -3.28 3.63 -1.40 3.87 0.00 -0.57 -4.85 121.76 119.15 3kf8 s ALA 40 Ca 0.03 1.31 0.05 0.00 0.00 0.00 0.00 51.96 53.35 3kf8 s ALA 40 Cb 0.07 -3.55 0.25 0.00 0.00 0.00 0.00 23.12 19.89 3kf8 s ALA 40 CO 0.73 -0.72 1.01 -0.35 0.00 0.00 0.00 175.76 176.42 3kf8 n PRO 41 N 2.48 0.07 -0.04 0.00 -0.04 -1.26 -2.02 135.00 134.18 3kf8 n PRO 41 Ca 0.07 0.25 -0.08 0.00 -0.04 0.00 0.00 63.50 63.70 3kf8 n PRO 41 Cb 0.40 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 3kf8 n PRO 41 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3kf8 n THR 42 N -1.30 1.51 -2.29 0.52 -1.04 -1.26 -4.90 114.28 105.51 3kf8 n THR 42 Ca 0.02 -0.81 -0.38 0.00 -2.04 0.00 0.00 64.05 60.84 3kf8 n THR 42 Cb 0.04 -0.84 -0.02 0.00 -1.82 0.00 0.00 70.33 67.69 3kf8 n THR 42 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3kf8 s PHE 43 N -2.59 3.05 -1.83 -1.42 5.36 -0.86 -3.58 117.98 116.11 3kf8 s PHE 43 Ca -0.06 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.46 3kf8 s PHE 43 Cb 0.07 -3.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.36 3kf8 s PHE 43 CO 0.83 -1.34 0.00 -0.25 -1.46 0.00 0.00 175.22 173.00 3kf8 n ASP 44 N 0.02 -5.63 -3.82 6.13 9.92 -1.26 -4.96 116.55 116.95 3kf8 n ASP 44 Ca 0.05 0.13 -0.15 0.00 -0.53 0.00 0.00 54.79 54.29 3kf8 n ASP 44 Cb 0.47 -4.77 -0.15 0.00 -0.64 0.00 0.00 41.12 36.03 3kf8 n ASP 44 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3kf8 s LYS 45 N -4.69 0.07 -0.56 -1.24 2.20 -1.24 -4.97 119.74 109.32 3kf8 s LYS 45 Ca 0.00 0.10 -0.28 0.00 -0.36 0.00 0.00 55.97 55.43 3kf8 s LYS 45 Cb 0.00 -0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 3kf8 s LYS 45 CO 0.00 -0.10 1.53 0.99 -0.36 0.00 0.00 175.35 177.40 3kf8 s THR 46 N 0.73 3.67 -0.10 3.43 2.01 -1.26 -4.20 115.64 119.93 3kf8 s THR 46 Ca -0.06 0.54 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 3kf8 s THR 46 Cb -0.09 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 3kf8 s THR 46 CO -0.02 -1.09 0.01 0.27 -0.69 0.00 0.00 174.62 173.09 3kf8 s ILE 47 N 6.70 4.35 -0.42 1.82 -4.36 -1.17 -4.86 121.20 123.27 3kf8 s ILE 47 Ca 0.57 -0.23 -0.29 0.00 -0.26 0.00 0.00 60.65 60.44 3kf8 s ILE 47 Cb -0.12 -2.84 0.01 0.00 1.25 0.00 0.00 42.46 40.75 3kf8 s ILE 47 CO 0.24 0.59 1.47 -2.16 0.24 0.00 0.00 174.94 175.32 3kf8 s PRO 48 N -0.72 3.51 0.42 0.37 0.04 -1.26 -2.44 135.00 134.91 3kf8 s PRO 48 Ca 0.11 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.18 3kf8 s PRO 48 Cb -0.12 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 3kf8 s PRO 48 CO 0.02 -1.65 0.26 -0.51 0.04 0.00 0.00 177.00 175.16 3kf8 s LEU 49 N 5.72 3.21 -0.12 -3.56 1.43 -0.23 -4.71 118.68 120.41 3kf8 s LEU 49 Ca 0.63 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3kf8 s LEU 49 Cb -0.14 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3kf8 s LEU 49 CO 0.32 -0.60 0.24 -0.36 0.23 0.00 0.00 176.35 176.18 3kf8 s PHE 50 N -2.56 3.55 0.40 0.29 0.40 -1.26 -4.62 117.98 114.18 3kf8 s PHE 50 Ca 0.43 0.60 0.14 0.00 -0.60 0.00 0.00 56.93 57.51 3kf8 s PHE 50 Cb 0.01 -2.17 0.99 0.00 0.51 0.00 0.00 43.02 42.36 3kf8 s PHE 50 CO 0.24 0.48 1.89 0.82 0.70 0.00 0.00 175.22 179.35 3kf8 h ILE 51 N 4.28 0.77 -0.15 0.64 2.04 -1.89 -1.51 117.51 121.68 3kf8 h ILE 51 Ca -0.47 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3kf8 h ILE 51 Cb 1.19 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3kf8 h ILE 51 CO 0.67 0.09 0.01 -1.28 0.00 0.00 0.00 178.15 177.65 3kf8 h SER 52 N 0.50 -0.03 -0.45 1.72 0.87 -1.80 -0.67 113.55 113.69 3kf8 h SER 52 Ca 0.42 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 61.10 3kf8 h SER 52 Cb 0.90 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 3kf8 h SER 52 CO -0.16 0.01 0.31 0.44 -0.53 0.00 0.00 176.83 176.89 3kf8 h ASP 53 N 0.07 0.21 -0.04 6.23 3.32 -1.61 0.18 116.42 124.78 3kf8 h ASP 53 Ca 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3kf8 h ASP 53 Cb 0.07 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3kf8 h ASP 53 CO -0.10 0.13 -0.14 0.40 -1.72 0.00 0.00 179.24 177.80 3kf8 h ILE 54 N 0.24 1.45 0.00 0.35 2.04 -1.14 -3.16 117.51 117.30 3kf8 h ILE 54 Ca 0.21 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.46 3kf8 h ILE 54 Cb 0.51 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3kf8 h ILE 54 CO -0.04 0.43 -0.24 0.78 0.00 0.00 0.00 178.15 179.08 3kf8 h ASN 55 N -0.37 0.00 -0.22 1.72 2.35 -0.29 -1.53 115.58 117.25 3kf8 h ASN 55 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3kf8 h ASN 55 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 3kf8 h ASN 55 CO 0.03 0.24 0.00 0.59 -1.65 0.00 0.00 177.43 176.64 3kf8 n ASN 56 N -3.73 1.24 -4.75 5.81 3.02 0.56 -4.87 115.26 112.54 3kf8 n ASN 56 Ca -0.01 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.19 3kf8 n ASN 56 Cb 0.35 -0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 3kf8 n ASN 56 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3kf8 s SER 57 N -1.09 6.76 0.44 6.41 0.15 -0.58 -4.97 113.70 120.83 3kf8 s SER 57 Ca 0.18 2.63 -0.23 0.00 0.70 0.00 0.00 55.95 59.22 3kf8 s SER 57 Cb 0.09 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 3kf8 s SER 57 CO 0.13 -0.59 1.15 -2.16 1.20 0.00 0.00 173.24 172.97 3kf8 s PRO 58 N -0.99 3.84 -0.08 5.44 0.04 -1.26 -4.89 135.00 137.10 3kf8 s PRO 58 Ca 0.54 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 3kf8 s PRO 58 Cb -0.40 -2.46 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 3kf8 s PRO 58 CO 0.47 -0.47 1.89 1.21 0.04 0.00 0.00 177.00 180.13 3kf8 s ASN 59 N -1.36 6.28 0.59 6.66 3.04 -1.26 -4.78 114.94 124.11 3kf8 s ASN 59 Ca 0.62 2.23 0.37 0.00 0.04 0.00 0.00 52.86 56.13 3kf8 s ASN 59 Cb -0.28 -2.53 1.75 0.00 -1.54 0.00 0.00 41.25 38.65 3kf8 s ASN 59 CO 0.34 -1.25 2.12 -0.07 -3.04 0.00 0.00 177.10 175.21 3kf8 h LEU 60 N 11.63 0.00 -2.02 3.21 3.38 -1.92 -2.47 115.31 127.12 3kf8 h LEU 60 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 3kf8 h LEU 60 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3kf8 h LEU 60 CO 0.96 0.00 -0.02 1.88 0.09 0.00 0.00 178.44 181.35 3kf8 h TYR 61 N 0.00 0.00 -0.15 1.13 -1.99 -1.83 0.11 116.97 114.24 3kf8 h TYR 61 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kf8 h TYR 61 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 3kf8 h TYR 61 CO 0.00 0.02 0.00 0.41 -0.00 0.00 0.00 178.16 178.59 3kf8 n GLY 62 N -0.42 -0.07 0.00 3.88 0.00 -0.93 -2.24 105.19 105.41 3kf8 n GLY 62 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3kf8 n GLY 62 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kf8 n ILE 63 N 0.02 0.00 -0.25 -0.61 5.41 -0.58 -4.88 119.36 118.48 3kf8 n ILE 63 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 3kf8 n ILE 63 Cb 0.22 -0.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.99 3kf8 n ILE 63 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3kf8 n TYR 64 N -0.77 0.00 -0.67 1.39 4.02 0.29 -4.73 117.16 116.70 3kf8 n TYR 64 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 3kf8 n TYR 64 Cb 0.10 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 3kf8 n TYR 64 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3kf8 n ASN 65 N -0.27 0.00 0.25 7.72 3.02 -0.95 -0.46 115.26 124.57 3kf8 n ASN 65 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 3kf8 n ASN 65 Cb 0.24 0.00 0.67 0.00 -0.61 0.00 0.00 39.78 40.08 3kf8 n ASN 65 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3kf8 h TYR 66 N 0.00 0.00 -0.33 3.10 -0.00 -1.95 -1.47 116.97 116.32 3kf8 h TYR 66 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.66 3kf8 h TYR 66 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.71 3kf8 h TYR 66 CO 0.00 0.00 -0.10 0.82 -0.00 0.00 0.00 178.16 178.88 3kf8 h ILE 67 N 0.00 1.23 -0.08 -0.90 1.08 -1.16 -2.88 117.51 114.81 3kf8 h ILE 67 Ca 0.00 -1.02 0.02 0.00 -0.39 0.00 0.00 64.86 63.48 3kf8 h ILE 67 Cb 0.43 1.09 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 3kf8 h ILE 67 CO 0.00 0.34 0.23 0.00 -0.69 0.00 0.00 178.15 178.03 3kf8 h ALA 68 N 1.38 1.42 -0.07 1.87 0.00 -1.36 -0.89 119.26 121.61 3kf8 h ALA 68 Ca 0.10 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kf8 h ALA 68 Cb 0.49 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kf8 h ALA 68 CO 0.03 -0.27 0.25 -0.44 0.00 0.00 0.00 179.25 178.82 3kf8 h ASP 69 N 0.00 0.00 -0.25 0.00 3.45 -1.71 0.31 116.42 118.22 3kf8 h ASP 69 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3kf8 h ASP 69 Cb 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 3kf8 h ASP 69 CO -0.00 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 179.08 3kf8 n HIS 70 N -3.16 0.33 -0.89 4.55 8.25 -0.34 -4.58 115.22 119.39 3kf8 n HIS 70 Ca -0.01 -0.40 0.08 0.00 -0.26 0.00 0.00 57.72 57.14 3kf8 n HIS 70 Cb 0.33 -0.02 0.17 0.00 1.12 0.00 0.00 29.99 31.59 3kf8 n HIS 70 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kf8 n LEU 71 N 0.43 2.95 0.19 2.41 4.77 0.11 -4.68 117.00 123.18 3kf8 n LEU 71 Ca 0.09 -2.89 0.12 0.00 -0.03 0.00 0.00 56.01 53.30 3kf8 n LEU 71 Cb 0.37 -0.42 0.68 0.00 -2.33 0.00 0.00 43.42 41.72 3kf8 n LEU 71 CO 0.07 0.68 1.11 0.03 -1.33 0.00 0.00 177.39 177.94 3kf8 h ARG 72 N 0.83 0.00 -0.53 3.23 2.47 -1.80 -0.24 114.38 118.34 3kf8 h ARG 72 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kf8 h ARG 72 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 3kf8 h ARG 72 CO 0.09 0.00 0.00 -2.39 0.56 0.00 0.00 179.97 178.23 3kf8 n HIS 73 N -4.42 0.75 -4.50 3.04 1.44 -1.26 -0.05 115.22 110.23 3kf8 n HIS 73 Ca 0.00 -0.32 -0.23 0.00 -2.01 0.00 0.00 57.72 55.16 3kf8 n HIS 73 Cb 0.23 -0.10 -0.14 0.00 0.12 0.00 0.00 29.99 30.11 3kf8 n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3kf8 s VAL 74 N -1.60 1.39 0.01 0.61 1.01 -0.10 -4.56 120.40 117.15 3kf8 s VAL 74 Ca 0.29 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3kf8 s VAL 74 Cb 0.17 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3kf8 s VAL 74 CO 0.16 0.11 -0.09 0.68 0.00 0.00 0.00 175.10 175.96 3kf8 s VAL 75 N -0.82 0.69 -0.35 2.92 -7.23 -1.14 -4.92 120.40 109.55 3kf8 s VAL 75 Ca 0.05 -0.55 -0.14 0.00 -1.81 0.00 0.00 61.98 59.52 3kf8 s VAL 75 Cb -0.08 -0.62 -0.01 0.00 0.56 0.00 0.00 36.38 36.23 3kf8 s VAL 75 CO 0.02 0.07 0.29 -0.76 -0.31 0.00 0.00 175.10 174.40 3kf8 s LEU 76 N -0.54 4.53 -0.46 1.32 1.43 -1.26 -0.73 118.68 122.97 3kf8 s LEU 76 Ca 0.01 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 3kf8 s LEU 76 Cb -0.05 -2.22 0.05 0.00 0.03 0.00 0.00 46.19 44.00 3kf8 s LEU 76 CO 0.00 -0.29 0.42 -0.69 0.23 0.00 0.00 176.35 176.02 3kf8 s VAL 77 N 1.84 5.15 0.00 -1.59 1.01 -0.51 -4.33 120.40 121.96 3kf8 s VAL 77 Ca 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3kf8 s VAL 77 Cb -0.17 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3kf8 s VAL 77 CO 0.11 -0.54 0.00 -3.20 0.00 0.00 0.00 175.10 171.47 3kf8 n ASN 78 N 5.44 0.00 -0.27 3.32 2.85 -1.26 -1.52 115.26 123.82 3kf8 n ASN 78 Ca -0.10 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.38 3kf8 n ASN 78 Cb 0.45 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.49 3kf8 n ASN 78 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 3kf8 n ASN 79 N 7.84 0.45 -4.65 1.20 6.94 -1.26 -5.00 115.26 120.78 3kf8 n ASN 79 Ca 0.00 -1.87 -0.38 0.00 -0.02 0.00 0.00 54.58 52.31 3kf8 n ASN 79 Cb 0.00 -0.16 -0.08 0.00 -2.36 0.00 0.00 39.78 37.18 3kf8 n ASN 79 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3kf8 s TYR 80 N -0.46 3.33 -0.03 -2.53 1.51 -0.57 -4.79 117.35 113.81 3kf8 s TYR 80 Ca 0.04 0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 56.32 3kf8 s TYR 80 Cb 0.04 -2.52 -0.04 0.00 -0.11 0.00 0.00 41.96 39.33 3kf8 s TYR 80 CO 0.00 -0.07 1.21 -1.25 -1.11 0.00 0.00 175.55 174.33 3kf8 s PRO 81 N 1.51 4.37 -0.15 -1.71 0.04 -1.26 -1.43 135.00 136.37 3kf8 s PRO 81 Ca 0.17 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 3kf8 s PRO 81 Cb -0.15 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 30.86 3kf8 s PRO 81 CO 0.08 -0.41 -0.09 0.08 0.04 0.00 0.00 177.00 176.71 3kf8 s VAL 82 N 1.96 3.40 -0.25 -0.36 1.01 0.09 -3.49 120.40 122.74 3kf8 s VAL 82 Ca 0.57 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 3kf8 s VAL 82 Cb -0.26 -2.47 -0.11 0.00 0.00 0.00 0.00 36.38 33.55 3kf8 s VAL 82 CO 0.24 0.50 -0.34 -3.20 0.00 0.00 0.00 175.10 172.30 3kf8 n ASN 83 N 3.68 1.84 -4.36 3.32 5.15 -1.26 -2.88 115.26 120.74 3kf8 n ASN 83 Ca -0.18 0.32 -0.33 0.00 -0.60 0.00 0.00 54.58 53.78 3kf8 n ASN 83 Cb 0.52 -0.76 -0.14 0.00 -0.53 0.00 0.00 39.78 38.87 3kf8 n ASN 83 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3kf8 s GLN 84 N -2.51 3.41 -0.02 1.20 -0.21 -1.26 -4.68 119.66 115.58 3kf8 s GLN 84 Ca -0.36 -0.66 0.03 0.00 0.02 0.00 0.00 55.36 54.40 3kf8 s GLN 84 Cb 0.13 -2.75 -0.03 0.00 1.00 0.00 0.00 33.01 31.36 3kf8 s GLN 84 CO 0.45 0.11 -0.10 0.42 -2.12 0.00 0.00 175.29 174.05 3kf8 s ILE 85 N 0.64 3.43 -0.12 1.08 1.01 -0.68 -3.05 121.20 123.51 3kf8 s ILE 85 Ca -0.06 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3kf8 s ILE 85 Cb -0.15 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.91 3kf8 s ILE 85 CO 0.03 0.49 -0.09 0.21 0.00 0.00 0.00 174.94 175.58 3kf8 s ASN 86 N -1.10 2.26 0.21 3.58 3.84 -1.02 -0.67 114.94 122.03 3kf8 s ASN 86 Ca 0.14 -0.33 0.02 0.00 0.21 0.00 0.00 52.86 52.90 3kf8 s ASN 86 Cb -0.11 -0.90 -0.05 0.00 -0.55 0.00 0.00 41.25 39.64 3kf8 s ASN 86 CO 0.04 -0.10 0.02 0.27 -2.79 0.00 0.00 177.10 174.53 3kf8 s ILE 87 N 1.64 0.77 0.19 -5.21 -4.36 -0.00 -1.06 121.20 113.16 3kf8 s ILE 87 Ca 0.04 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.40 3kf8 s ILE 87 Cb -0.13 -2.29 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 3kf8 s ILE 87 CO -0.08 -0.34 0.18 0.72 0.24 0.00 0.00 174.94 175.66 3kf8 s PHE 88 N -3.60 0.93 -5.00 1.37 -0.12 -1.26 -0.01 117.98 110.29 3kf8 s PHE 88 Ca 0.28 -1.21 0.00 0.00 -0.05 0.00 0.00 56.93 55.95 3kf8 s PHE 88 Cb 0.06 -0.40 0.00 0.00 -0.63 0.00 0.00 43.02 42.05 3kf8 s PHE 88 CO 0.07 -0.67 0.00 0.41 -0.05 0.00 0.00 175.22 174.98 3kf8 n GLY 89 N -0.25 -2.23 3.86 1.99 0.00 -0.56 -4.00 105.19 104.00 3kf8 n GLY 89 Ca -0.01 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 3kf8 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kf8 s LYS 90 N -1.83 3.83 -0.23 1.61 1.02 0.38 -0.64 119.74 123.89 3kf8 s LYS 90 Ca 0.00 0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.99 3kf8 s LYS 90 Cb 0.00 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3kf8 s LYS 90 CO 0.00 0.43 1.06 0.42 -0.92 0.00 0.00 175.35 176.35 3kf8 s ILE 91 N -1.60 4.63 -0.44 2.17 1.01 -0.47 -1.58 121.20 124.93 3kf8 s ILE 91 Ca 0.41 1.97 0.11 0.00 0.00 0.00 0.00 60.65 63.13 3kf8 s ILE 91 Cb -0.13 -4.29 -0.12 0.00 0.01 0.00 0.00 42.46 37.93 3kf8 s ILE 91 CO 0.20 -0.20 0.43 0.52 0.00 0.00 0.00 174.94 175.89 3kf8 n VAL 92 N 5.37 0.00 -3.66 2.92 0.31 -0.35 -1.35 118.33 121.56 3kf8 n VAL 92 Ca 0.12 -0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 3kf8 n VAL 92 Cb 0.46 0.90 -0.08 0.00 -0.91 0.00 0.00 33.84 34.21 3kf8 n VAL 92 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3kf8 s TYR 93 N -2.12 -0.74 -0.03 3.52 5.04 -1.21 -4.93 117.35 116.88 3kf8 s TYR 93 Ca 0.03 1.73 0.04 0.00 -2.44 0.00 0.00 57.07 56.42 3kf8 s TYR 93 Cb 0.08 0.29 -0.00 0.00 0.35 0.00 0.00 41.96 42.68 3kf8 s TYR 93 CO 0.44 -0.36 -0.14 -1.21 -1.34 0.00 0.00 175.55 172.95 3kf8 s GLU 94 N 0.57 1.39 -0.08 4.97 2.02 -1.26 -2.23 118.70 124.08 3kf8 s GLU 94 Ca -0.02 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 3kf8 s GLU 94 Cb -0.05 -1.25 0.04 0.00 0.10 0.00 0.00 34.13 32.97 3kf8 s GLU 94 CO -0.03 0.21 0.18 -1.14 0.02 0.00 0.00 175.26 174.50 3kf8 s GLN 95 N 0.04 0.11 -0.17 1.61 0.74 -0.09 -4.99 119.66 116.91 3kf8 s GLN 95 Ca -0.02 0.48 -0.06 0.00 0.05 0.00 0.00 55.36 55.81 3kf8 s GLN 95 Cb -0.10 -0.17 -0.03 0.00 1.10 0.00 0.00 33.01 33.80 3kf8 s GLN 95 CO 0.01 -0.21 0.02 0.71 -0.55 0.00 0.00 175.29 175.28 3kf8 s TYR 96 N 1.54 3.15 0.06 1.67 4.12 -1.26 -0.69 117.35 125.94 3kf8 s TYR 96 Ca -0.06 -0.10 0.08 0.00 0.02 0.00 0.00 57.07 57.02 3kf8 s TYR 96 Cb -0.11 -2.03 -0.03 0.00 -1.52 0.00 0.00 41.96 38.26 3kf8 s TYR 96 CO -0.07 0.06 -0.22 0.15 0.02 0.00 0.00 175.55 175.49 3kf8 s LYS 97 N 0.41 1.41 -0.43 -0.62 1.02 -0.42 -5.00 119.74 116.11 3kf8 s LYS 97 Ca 0.00 -1.01 0.10 0.00 0.02 0.00 0.00 55.97 55.08 3kf8 s LYS 97 Cb -0.13 -1.57 0.32 0.00 -0.52 0.00 0.00 37.83 35.93 3kf8 s LYS 97 CO 0.01 0.40 0.73 0.39 -0.92 0.00 0.00 175.35 175.96 3kf8 n GLU 98 N 1.70 1.41 -0.97 1.68 1.02 -1.26 -0.74 120.64 123.47 3kf8 n GLU 98 Ca -0.17 -3.69 -0.35 0.00 -0.02 0.00 0.00 57.16 52.93 3kf8 n GLU 98 Cb 0.53 -1.74 0.08 0.00 -0.02 0.00 0.00 31.44 30.30 3kf8 n GLU 98 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kf8 n LYS 99 N 0.44 -0.07 -4.77 3.49 5.02 -1.14 -4.79 118.16 116.33 3kf8 n LYS 99 Ca 0.26 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.26 3kf8 n LYS 99 Cb 0.57 -1.61 -0.17 0.00 -0.02 0.00 0.00 35.03 33.81 3kf8 n LYS 99 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3kf8 s GLU 100 N -2.92 2.53 0.00 1.97 -1.05 -1.26 -3.23 118.70 114.73 3kf8 s GLU 100 Ca 0.55 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 3kf8 s GLU 100 Cb -0.25 -2.02 0.00 0.00 -0.44 0.00 0.00 34.13 31.42 3kf8 s GLU 100 CO 0.69 0.04 0.00 1.19 0.95 0.00 0.00 175.26 178.13 3kf8 n PHE 101 N 3.87 0.00 -2.18 4.83 3.01 0.29 -5.02 117.46 122.26 3kf8 n PHE 101 Ca -0.20 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 57.91 3kf8 n PHE 101 Cb 0.52 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.95 3kf8 n PHE 101 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3kf8 s ASN 102 N 0.70 5.51 0.00 4.37 3.04 -1.26 -3.10 114.94 124.21 3kf8 s ASN 102 Ca 0.00 -0.38 0.00 0.00 0.04 0.00 0.00 52.86 52.52 3kf8 s ASN 102 Cb 0.00 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.16 3kf8 s ASN 102 CO 0.00 -2.32 0.00 0.61 -3.04 0.00 0.00 177.10 172.35 3kf8 n GLY 103 N 6.23 0.13 3.42 1.21 0.00 -1.26 -4.88 105.19 110.04 3kf8 n GLY 103 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 3kf8 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kf8 s VAL 104 N -1.39 4.56 -0.16 1.61 1.01 -1.18 -5.03 120.40 119.81 3kf8 s VAL 104 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3kf8 s VAL 104 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 3kf8 s VAL 104 CO 0.00 -0.01 -0.11 -1.61 0.00 0.00 0.00 175.10 173.37 3kf8 s GLU 105 N 1.59 3.33 -0.07 2.72 0.41 -1.26 0.10 118.70 125.53 3kf8 s GLU 105 Ca 0.04 -0.69 0.04 0.00 -0.41 0.00 0.00 54.97 53.95 3kf8 s GLU 105 Cb -0.18 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 3kf8 s GLU 105 CO 0.06 0.04 -0.18 -1.21 -0.49 0.00 0.00 175.26 173.48 3kf8 s GLU 106 N 0.81 2.14 -0.04 1.61 2.02 -1.20 -5.01 118.70 119.03 3kf8 s GLU 106 Ca -0.04 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.37 3kf8 s GLU 106 Cb -0.15 -1.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 3kf8 s GLU 106 CO 0.01 0.16 -0.16 -1.12 0.02 0.00 0.00 175.26 174.16 3kf8 s SER 107 N 0.34 3.90 0.23 -0.19 0.01 -1.26 -2.87 113.70 113.85 3kf8 s SER 107 Ca -0.12 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 56.91 3kf8 s SER 107 Cb -0.15 -0.77 -0.05 0.00 0.21 0.00 0.00 66.02 65.26 3kf8 s SER 107 CO 0.05 0.33 0.06 -0.31 0.41 0.00 0.00 173.24 173.78 3kf8 s TYR 108 N -0.74 1.42 -0.01 2.43 1.51 0.08 -1.84 117.35 120.20 3kf8 s TYR 108 Ca 0.12 -1.12 0.04 0.00 -1.01 0.00 0.00 57.07 55.10 3kf8 s TYR 108 Cb -0.11 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.91 3kf8 s TYR 108 CO 0.01 -0.29 -0.15 0.08 -1.11 0.00 0.00 175.55 174.09 3kf8 s VAL 109 N -3.71 1.17 -0.12 0.71 1.01 0.17 -1.31 120.40 118.32 3kf8 s VAL 109 Ca 0.33 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3kf8 s VAL 109 Cb 0.07 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.48 3kf8 s VAL 109 CO 0.10 0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 174.74 3kf8 s ILE 110 N -0.31 1.65 0.27 2.22 1.01 0.14 -1.12 121.20 125.06 3kf8 s ILE 110 Ca 0.05 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.04 3kf8 s ILE 110 Cb -0.06 -1.50 -0.06 0.00 0.01 0.00 0.00 42.46 40.85 3kf8 s ILE 110 CO -0.00 0.47 -0.07 -0.76 0.00 0.00 0.00 174.94 174.58 3kf8 s LEU 111 N 1.02 2.49 -0.13 2.97 1.43 -0.46 -0.91 118.68 125.08 3kf8 s LEU 111 Ca -0.05 -1.17 0.02 0.00 -1.03 0.00 0.00 54.13 51.89 3kf8 s LEU 111 Cb -0.15 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.44 3kf8 s LEU 111 CO -0.03 -0.32 -0.18 -0.69 0.23 0.00 0.00 176.35 175.36 3kf8 s VAL 112 N -3.00 1.76 -0.03 -1.59 1.01 -0.95 -0.50 120.40 117.11 3kf8 s VAL 112 Ca 0.29 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3kf8 s VAL 112 Cb 0.03 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3kf8 s VAL 112 CO 0.12 0.49 -0.07 -0.63 0.00 0.00 0.00 175.10 175.00 3kf8 s ILE 113 N 1.02 3.63 -0.09 2.22 1.09 -0.68 -1.21 121.20 127.17 3kf8 s ILE 113 Ca -0.04 -0.65 -0.00 0.00 -1.10 0.00 0.00 60.65 58.86 3kf8 s ILE 113 Cb -0.15 -2.53 0.02 0.00 -1.06 0.00 0.00 42.46 38.75 3kf8 s ILE 113 CO -0.04 0.49 -0.07 -0.55 -0.10 0.00 0.00 174.94 174.68 3kf8 s SER 114 N -1.12 1.92 0.01 3.58 0.15 -0.61 -1.80 113.70 115.82 3kf8 s SER 114 Ca 0.15 -0.25 0.22 0.00 0.70 0.00 0.00 55.95 56.77 3kf8 s SER 114 Cb -0.11 -0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 63.44 3kf8 s SER 114 CO 0.04 -0.11 1.00 -0.90 1.20 0.00 0.00 173.24 174.48 3kf8 n ASP 115 N 4.76 0.73 0.00 5.45 5.75 -1.10 -0.47 116.55 131.67 3kf8 n ASP 115 Ca -0.14 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 3kf8 n ASP 115 Cb 0.50 0.88 0.00 0.00 -1.03 0.00 0.00 41.12 41.47 3kf8 n ASP 115 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3kf8 n PHE 116 N -1.66 0.00 -4.35 2.11 7.35 -1.24 -4.99 117.46 114.68 3kf8 n PHE 116 Ca 0.03 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.38 3kf8 n PHE 116 Cb 0.37 -0.45 -0.13 0.00 0.35 0.00 0.00 39.48 39.63 3kf8 n PHE 116 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3kf8 s ILE 117 N -2.72 3.59 0.00 -2.13 -4.36 -1.26 -4.92 121.20 109.40 3kf8 s ILE 117 Ca 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.94 3kf8 s ILE 117 Cb 0.00 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.13 3kf8 s ILE 117 CO 0.00 0.48 0.00 0.61 0.24 0.00 0.00 174.94 176.27 3kf8 n GLY 118 N 3.89 -3.26 3.81 6.27 0.00 -1.26 -4.54 105.19 110.10 3kf8 n GLY 118 Ca -0.18 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.33 3kf8 n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kf8 s ILE 119 N -0.76 5.08 -0.69 -0.61 -1.09 -1.26 -4.35 121.20 117.52 3kf8 s ILE 119 Ca 0.00 0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 59.23 3kf8 s ILE 119 Cb 0.00 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3kf8 s ILE 119 CO 0.00 0.52 0.62 -0.67 -1.23 0.00 0.00 174.94 174.18 3kf8 n ASP 120 N 2.25 -5.94 -1.95 3.58 -0.08 -1.26 -4.71 116.55 108.45 3kf8 n ASP 120 Ca -0.13 -0.31 -0.17 0.00 -1.51 0.00 0.00 54.79 52.67 3kf8 n ASP 120 Cb 0.52 -4.17 0.20 0.00 2.34 0.00 0.00 41.12 40.02 3kf8 n ASP 120 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3kf8 n SER 121 N -2.24 3.65 -4.26 1.67 3.41 -1.26 -3.88 113.62 110.70 3kf8 n SER 121 Ca -0.03 -3.58 -0.28 0.00 -0.26 0.00 0.00 58.87 54.73 3kf8 n SER 121 Cb 0.55 -0.78 -0.15 0.00 -0.26 0.00 0.00 64.21 63.57 3kf8 n SER 121 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kf8 s LYS 122 N -3.24 1.66 -0.10 4.33 1.02 -1.26 -2.71 119.74 119.44 3kf8 s LYS 122 Ca 0.54 -0.89 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 3kf8 s LYS 122 Cb 0.46 -1.70 0.03 0.00 -0.52 0.00 0.00 37.83 36.10 3kf8 s LYS 122 CO 0.09 0.45 0.29 -1.50 -0.92 0.00 0.00 175.35 173.76 3kf8 s ILE 123 N -0.65 0.01 0.31 2.17 2.07 -0.75 -4.97 121.20 119.39 3kf8 s ILE 123 Ca 0.09 -0.05 -0.28 0.00 -1.41 0.00 0.00 60.65 59.00 3kf8 s ILE 123 Cb -0.09 -0.43 -0.09 0.00 0.13 0.00 0.00 42.46 41.98 3kf8 s ILE 123 CO 0.00 -0.03 1.09 -0.60 -1.91 0.00 0.00 174.94 173.50 3kf8 s ARG 124 N 0.02 4.51 0.01 3.50 3.52 -1.26 -1.69 118.95 127.57 3kf8 s ARG 124 Ca -0.01 1.75 0.03 0.00 -0.13 0.00 0.00 55.73 57.36 3kf8 s ARG 124 Cb -0.02 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.32 3kf8 s ARG 124 CO 0.01 0.11 -0.09 0.08 -0.81 0.00 0.00 175.30 174.60 3kf8 s VAL 125 N -1.28 0.68 -0.03 7.11 1.01 0.35 -1.67 120.40 126.57 3kf8 s VAL 125 Ca 0.48 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3kf8 s VAL 125 Cb -0.30 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 3kf8 s VAL 125 CO 0.38 0.01 -0.17 -0.60 0.00 0.00 0.00 175.10 174.72 3kf8 s ARG 126 N -0.68 1.57 0.07 2.72 3.52 0.23 -1.36 118.95 125.03 3kf8 s ARG 126 Ca -0.00 -0.60 -0.16 0.00 -0.13 0.00 0.00 55.73 54.84 3kf8 s ARG 126 Cb -0.05 -1.44 0.03 0.00 -1.56 0.00 0.00 34.95 31.93 3kf8 s ARG 126 CO 0.00 0.30 0.37 -1.17 -0.81 0.00 0.00 175.30 173.99 3kf8 s LEU 127 N -0.16 0.57 0.59 -0.88 2.96 -0.27 -1.43 118.68 120.06 3kf8 s LEU 127 Ca 0.01 -0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 53.62 3kf8 s LEU 127 Cb -0.09 1.64 -0.05 0.00 0.50 0.00 0.00 46.19 48.19 3kf8 s LEU 127 CO 0.01 -0.71 1.02 -0.94 -1.32 0.00 0.00 176.35 174.41 3kf8 s SER 128 N -2.29 6.23 0.37 3.68 1.04 -1.26 0.41 113.70 121.88 3kf8 s SER 128 Ca -0.02 1.51 0.10 0.00 0.48 0.00 0.00 55.95 58.01 3kf8 s SER 128 Cb 0.00 -2.49 0.72 0.00 0.10 0.00 0.00 66.02 64.35 3kf8 s SER 128 CO -0.06 -0.86 1.86 1.56 0.98 0.00 0.00 173.24 176.72 3kf8 h GLN 129 N 0.06 0.20 0.22 4.02 4.20 -1.65 -2.55 115.11 119.62 3kf8 h GLN 129 Ca -0.45 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.21 3kf8 h GLN 129 Cb 1.19 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 3kf8 h GLN 129 CO 0.61 0.42 -0.21 0.93 -0.67 0.00 0.00 178.83 179.91 3kf8 h GLU 130 N 0.18 -0.44 -0.21 1.46 5.08 -1.93 0.57 114.58 119.30 3kf8 h GLU 130 Ca 0.03 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3kf8 h GLU 130 Cb 0.50 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3kf8 h GLU 130 CO 0.03 -0.29 0.12 1.96 -1.00 0.00 0.00 179.01 179.83 3kf8 h GLN 131 N -0.46 0.27 0.02 2.33 4.20 -1.89 -0.78 115.11 118.80 3kf8 h GLN 131 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3kf8 h GLN 131 Cb 0.42 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3kf8 h GLN 131 CO -0.04 0.20 -0.01 0.35 -0.67 0.00 0.00 178.83 178.66 3kf8 h PHE 132 N 0.28 -0.02 -0.17 2.96 3.57 -1.01 -3.27 116.94 119.28 3kf8 h PHE 132 Ca 0.07 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 3kf8 h PHE 132 Cb 0.00 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3kf8 h PHE 132 CO 0.00 0.50 -0.47 0.87 -2.23 0.00 0.00 178.31 176.98 3kf8 h LYS 133 N -0.55 0.43 0.00 1.11 1.57 -0.66 -2.75 116.57 115.72 3kf8 h LYS 133 Ca -0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3kf8 h LYS 133 Cb 0.52 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3kf8 h LYS 133 CO 0.00 0.81 0.00 0.39 -0.57 0.00 0.00 179.45 180.09 3kf8 n GLU 134 N -3.99 0.27 -0.14 3.15 1.02 -0.32 -1.44 120.64 119.18 3kf8 n GLU 134 Ca -0.02 0.12 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 3kf8 n GLU 134 Cb 0.54 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.60 3kf8 n GLU 134 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3kf8 n VAL 135 N -1.26 0.67 -0.49 2.62 3.14 -1.15 -4.97 118.33 116.88 3kf8 n VAL 135 Ca 0.08 -0.83 0.00 0.00 -2.96 0.00 0.00 64.34 60.63 3kf8 n VAL 135 Cb 0.13 0.76 0.00 0.00 -1.06 0.00 0.00 33.84 33.67 3kf8 n VAL 135 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kf8 n GLY 136 N 0.75 0.75 3.74 7.55 0.00 -0.52 -4.67 105.19 112.78 3kf8 n GLY 136 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3kf8 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kf8 s LEU 137 N 0.00 4.46 0.10 0.99 1.43 -1.05 -5.02 118.68 119.59 3kf8 s LEU 137 Ca 0.00 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 3kf8 s LEU 137 Cb 0.00 -3.39 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 3kf8 s LEU 137 CO 0.00 -0.03 0.44 0.42 0.23 0.00 0.00 176.35 177.41 3kf8 s THR 138 N 0.02 5.04 -1.26 5.49 -4.23 -1.26 -4.15 115.64 115.30 3kf8 s THR 138 Ca 0.42 0.52 -0.06 0.00 -1.18 0.00 0.00 61.69 61.39 3kf8 s THR 138 Cb -0.22 -3.66 0.05 0.00 1.34 0.00 0.00 72.50 70.01 3kf8 s THR 138 CO 0.26 0.25 2.62 0.18 -0.54 0.00 0.00 174.62 177.39 3kf8 n LEU 139 N 0.81 7.97 -0.02 4.79 4.77 -1.26 -4.07 117.00 129.99 3kf8 n LEU 139 Ca -0.07 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.30 3kf8 n LEU 139 Cb 0.52 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 3kf8 n LEU 139 CO 0.43 2.02 0.32 -0.90 -1.33 0.00 0.00 177.39 177.93 3kf8 n ASP 140 N 2.12 0.54 -1.64 -1.43 5.75 -1.26 -5.00 116.55 115.63 3kf8 n ASP 140 Ca 0.64 -1.33 -0.16 0.00 -0.01 0.00 0.00 54.79 53.94 3kf8 n ASP 140 Cb 0.30 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.35 3kf8 n ASP 140 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kf8 n LYS 141 N -0.15 -1.20 -1.96 0.11 4.01 -1.26 -4.91 118.16 112.79 3kf8 n LYS 141 Ca 0.00 0.82 -0.24 0.00 -0.51 0.00 0.00 58.31 58.38 3kf8 n LYS 141 Cb 0.45 -5.14 0.03 0.00 -0.51 0.00 0.00 35.03 29.85 3kf8 n LYS 141 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3kf8 n LYS 142 N -2.51 3.54 -0.08 1.97 5.02 -1.26 -4.65 118.16 120.20 3kf8 n LYS 142 Ca -0.18 -4.11 0.07 0.00 -2.02 0.00 0.00 58.31 52.07 3kf8 n LYS 142 Cb 0.61 -2.27 0.11 0.00 -0.02 0.00 0.00 35.03 33.46 3kf8 n LYS 142 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kf8 n ASN 143 N -0.73 2.52 -4.63 4.39 3.02 -1.26 -4.97 115.26 113.60 3kf8 n ASN 143 Ca 0.45 -1.73 -0.46 0.00 -0.03 0.00 0.00 54.58 52.81 3kf8 n ASN 143 Cb 0.95 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.98 3kf8 n ASN 143 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kf8 n TYR 144 N 0.75 1.76 0.00 3.10 9.36 -1.26 -2.11 117.16 128.76 3kf8 n TYR 144 Ca 0.10 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.89 3kf8 n TYR 144 Cb 0.39 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 3kf8 n TYR 144 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kf8 n GLY 145 N 1.81 2.93 3.76 2.98 0.00 -0.46 -4.95 105.19 111.26 3kf8 n GLY 145 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3kf8 n GLY 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kf8 n LYS 146 N -0.21 2.22 -3.57 1.61 5.02 -0.90 -4.57 118.16 117.76 3kf8 n LYS 146 Ca 0.00 0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 56.71 3kf8 n LYS 146 Cb 0.00 -2.61 -0.08 0.00 -0.02 0.00 0.00 35.03 32.32 3kf8 n LYS 146 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kf8 s ILE 147 N -1.19 5.31 0.24 -0.18 1.09 -1.00 -1.37 121.20 124.10 3kf8 s ILE 147 Ca 0.61 0.40 0.09 0.00 -1.10 0.00 0.00 60.65 60.65 3kf8 s ILE 147 Cb -0.45 -3.58 -0.05 0.00 -1.06 0.00 0.00 42.46 37.31 3kf8 s ILE 147 CO 0.57 0.34 -0.14 0.68 -0.10 0.00 0.00 174.94 176.29 3kf8 s VAL 148 N 0.92 1.91 -0.07 2.92 -7.23 0.19 -0.31 120.40 118.73 3kf8 s VAL 148 Ca 0.12 -2.24 0.02 0.00 -1.81 0.00 0.00 61.98 58.07 3kf8 s VAL 148 Cb -0.13 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.63 3kf8 s VAL 148 CO 0.04 -0.49 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.50 3kf8 s GLU 149 N -3.63 1.88 0.07 4.82 2.12 -0.03 -1.50 118.70 122.44 3kf8 s GLU 149 Ca 0.26 -0.47 0.06 0.00 0.36 0.00 0.00 54.97 55.17 3kf8 s GLU 149 Cb -0.01 -1.52 -0.03 0.00 0.26 0.00 0.00 34.13 32.83 3kf8 s GLU 149 CO 0.10 0.05 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.19 3kf8 s LEU 150 N 0.63 2.27 0.02 2.70 1.43 0.99 -0.77 118.68 125.95 3kf8 s LEU 150 Ca -0.15 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.39 3kf8 s LEU 150 Cb -0.16 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 3kf8 s LEU 150 CO 0.04 -0.02 -0.15 -1.61 0.23 0.00 0.00 176.35 174.84 3kf8 s GLU 151 N -1.69 1.06 0.00 1.70 2.02 0.17 -0.82 118.70 121.14 3kf8 s GLU 151 Ca 0.01 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.30 3kf8 s GLU 151 Cb -0.10 -1.07 0.00 0.00 0.10 0.00 0.00 34.13 33.07 3kf8 s GLU 151 CO 0.03 0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.99 3kf8 n GLY 152 N 2.16 -1.28 3.69 -1.39 0.00 0.16 -0.90 105.19 107.63 3kf8 n GLY 152 Ca -0.17 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 3kf8 n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kf8 s GLU 153 N -0.59 2.76 0.03 1.61 2.02 -0.64 -1.69 118.70 122.20 3kf8 s GLU 153 Ca 0.00 -0.66 0.04 0.00 0.02 0.00 0.00 54.97 54.38 3kf8 s GLU 153 Cb 0.00 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 3kf8 s GLU 153 CO 0.00 0.60 -0.08 -1.50 0.02 0.00 0.00 175.26 174.31 3kf8 s ILE 154 N -1.16 3.54 -0.11 -1.63 2.07 -1.26 0.74 121.20 123.40 3kf8 s ILE 154 Ca 0.22 -0.92 0.03 0.00 -1.41 0.00 0.00 60.65 58.56 3kf8 s ILE 154 Cb -0.12 -2.57 -0.00 0.00 0.13 0.00 0.00 42.46 39.90 3kf8 s ILE 154 CO 0.13 0.32 -0.21 -0.47 -1.91 0.00 0.00 174.94 172.80 3kf8 s TYR 155 N -1.05 2.63 -0.14 3.50 5.04 0.04 -4.06 117.35 123.30 3kf8 s TYR 155 Ca 0.18 -0.93 0.01 0.00 -2.44 0.00 0.00 57.07 53.89 3kf8 s TYR 155 Cb -0.11 -1.75 -0.00 0.00 0.35 0.00 0.00 41.96 40.45 3kf8 s TYR 155 CO 0.09 -0.36 -0.16 -0.80 -1.34 0.00 0.00 175.55 172.99 3kf8 s ASN 156 N 0.34 3.66 -1.45 4.32 0.01 0.92 -2.08 114.94 120.66 3kf8 s ASN 156 Ca -0.17 -0.45 -0.07 0.00 -0.71 0.00 0.00 52.86 51.46 3kf8 s ASN 156 Cb -0.17 -1.55 0.03 0.00 0.41 0.00 0.00 41.25 39.96 3kf8 s ASN 156 CO 0.08 0.11 2.63 0.79 -1.51 0.00 0.00 177.10 179.20 3kf8 n TRP 157 N 3.85 2.53 -1.67 2.20 8.01 -0.69 -4.69 117.44 126.98 3kf8 n TRP 157 Ca -0.19 -2.94 -0.45 0.00 -1.31 0.00 0.00 57.50 52.61 3kf8 n TRP 157 Cb 0.52 -2.12 -0.03 0.00 -2.01 0.00 0.00 31.31 27.67 3kf8 n TRP 157 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3kf8 n TYR 158 N 2.56 2.18 -3.12 -5.99 0.53 -1.26 -4.41 117.16 107.65 3kf8 n TYR 158 Ca 0.69 0.43 -0.43 0.00 -1.02 0.00 0.00 57.90 57.57 3kf8 n TYR 158 Cb 0.24 -2.46 -0.06 0.00 -1.03 0.00 0.00 39.34 36.03 3kf8 n TYR 158 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3kf8 s ASP 159 N 0.27 6.26 0.28 7.72 -1.08 -1.26 -4.95 116.67 123.91 3kf8 s ASP 159 Ca 0.68 -0.69 0.01 0.00 -0.52 0.00 0.00 52.55 52.03 3kf8 s ASP 159 Cb -0.64 -2.31 0.41 0.00 -1.46 0.00 0.00 42.92 38.91 3kf8 s ASP 159 CO 0.50 -0.88 1.74 0.77 0.52 0.00 0.00 175.17 177.83 3kf8 h SER 160 N 8.98 0.55 0.00 -0.34 4.64 -1.95 -3.09 113.55 122.34 3kf8 h SER 160 Ca -0.27 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 60.82 3kf8 h SER 160 Cb 1.09 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3kf8 h SER 160 CO 0.95 0.74 -0.27 0.40 -0.87 0.00 0.00 176.83 177.78 3kf8 h ILE 161 N 0.50 1.55 -1.96 0.95 2.04 -2.00 -3.32 117.51 115.27 3kf8 h ILE 161 Ca 0.08 -1.99 -0.77 0.00 1.00 0.00 0.00 64.86 63.18 3kf8 h ILE 161 Cb 0.59 2.81 -0.24 0.00 -0.74 0.00 0.00 36.82 39.24 3kf8 h ILE 161 CO 0.04 0.55 1.19 0.59 0.00 0.00 0.00 178.15 180.52 3kf8 n ASN 162 N -4.48 7.45 -0.26 1.72 4.13 -1.23 -4.88 115.26 117.70 3kf8 n ASN 162 Ca -0.10 -3.62 0.21 0.00 1.68 0.00 0.00 54.58 52.75 3kf8 n ASN 162 Cb 0.52 -1.17 0.34 0.00 -1.54 0.00 0.00 39.78 37.93 3kf8 n ASN 162 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3kf8 n VAL 163 N 0.12 -0.08 0.93 2.41 0.31 -1.17 0.08 118.33 120.93 3kf8 n VAL 163 Ca 0.51 0.79 0.11 0.00 -0.01 0.00 0.00 64.34 65.74 3kf8 n VAL 163 Cb 0.27 -1.30 0.04 0.00 -0.91 0.00 0.00 33.84 31.95 3kf8 n VAL 163 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kf8 n SER 164 N -3.34 0.74 -4.75 4.52 3.41 -1.26 -3.91 113.62 109.02 3kf8 n SER 164 Ca 0.19 -0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 57.81 3kf8 n SER 164 Cb 0.80 0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 65.41 3kf8 n SER 164 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kf8 s LYS 165 N -3.03 4.45 0.35 4.33 2.20 0.11 -4.76 119.74 123.39 3kf8 s LYS 165 Ca 0.08 2.03 -0.27 0.00 -0.36 0.00 0.00 55.97 57.46 3kf8 s LYS 165 Cb 0.16 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.24 3kf8 s LYS 165 CO 0.79 -0.11 1.14 0.15 -0.36 0.00 0.00 175.35 176.97 3kf8 s LYS 166 N -0.99 4.32 0.49 4.03 -0.14 -1.26 -4.60 119.74 121.58 3kf8 s LYS 166 Ca 0.51 1.81 -0.00 0.00 -1.36 0.00 0.00 55.97 56.93 3kf8 s LYS 166 Cb -0.36 -2.88 0.01 0.00 -1.68 0.00 0.00 37.83 32.91 3kf8 s LYS 166 CO 0.44 -0.08 0.72 -1.25 -0.76 0.00 0.00 175.35 174.42 3kf8 s PRO 167 N -1.97 2.91 0.24 -1.68 0.04 -1.26 -4.97 135.00 128.31 3kf8 s PRO 167 Ca 0.52 -0.52 -0.27 0.00 0.04 0.00 0.00 61.00 60.77 3kf8 s PRO 167 Cb -0.31 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 3kf8 s PRO 167 CO 0.39 -0.43 0.87 0.34 0.04 0.00 0.00 177.00 178.21 3kf8 s ASP 168 N -4.28 7.44 0.23 6.66 2.15 -1.26 -4.88 116.67 122.72 3kf8 s ASP 168 Ca 0.51 1.78 0.04 0.00 0.43 0.00 0.00 52.55 55.30 3kf8 s ASP 168 Cb -0.10 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.92 3kf8 s ASP 168 CO 0.39 0.11 -0.01 -0.13 -0.17 0.00 0.00 175.17 175.35 3kf8 s ARG 169 N -1.46 1.32 -0.21 4.34 0.52 -1.26 -1.70 118.95 120.50 3kf8 s ARG 169 Ca 0.42 -1.66 -0.19 0.00 -0.52 0.00 0.00 55.73 53.78 3kf8 s ARG 169 Cb -0.22 -0.63 0.06 0.00 0.52 0.00 0.00 34.95 34.68 3kf8 s ARG 169 CO 0.27 -0.08 0.57 -2.00 0.02 0.00 0.00 175.30 174.08 3kf8 s GLU 170 N -3.85 0.65 -0.25 3.54 2.12 -0.88 -4.37 118.70 115.66 3kf8 s GLU 170 Ca 0.28 0.80 -0.09 0.00 0.36 0.00 0.00 54.97 56.31 3kf8 s GLU 170 Cb 0.05 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.70 3kf8 s GLU 170 CO 0.08 -0.08 0.13 -1.17 -0.54 0.00 0.00 175.26 173.68 3kf8 s LEU 171 N 0.38 3.89 -0.47 2.70 2.96 -0.67 -0.78 118.68 126.68 3kf8 s LEU 171 Ca -0.01 -0.00 -0.22 0.00 -0.22 0.00 0.00 54.13 53.69 3kf8 s LEU 171 Cb -0.04 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.63 3kf8 s LEU 171 CO -0.00 0.02 0.72 -0.54 -1.32 0.00 0.00 176.35 175.23 3kf8 s LYS 172 N 1.30 3.29 -0.23 1.98 -0.14 0.23 -0.60 119.74 125.56 3kf8 s LYS 172 Ca 0.06 -0.38 -0.29 0.00 -1.36 0.00 0.00 55.97 54.00 3kf8 s LYS 172 Cb -0.14 -3.99 -0.01 0.00 -1.68 0.00 0.00 37.83 32.01 3kf8 s LYS 172 CO 0.06 -1.14 1.30 0.08 -0.76 0.00 0.00 175.35 174.89 3kf8 s VAL 173 N 3.07 4.18 -0.12 3.17 1.01 -0.51 -1.62 120.40 129.57 3kf8 s VAL 173 Ca 0.24 1.38 0.18 0.00 0.00 0.00 0.00 61.98 63.78 3kf8 s VAL 173 Cb -0.14 -4.05 -0.19 0.00 0.00 0.00 0.00 36.38 31.99 3kf8 s VAL 173 CO 0.19 -0.31 0.60 -1.54 0.00 0.00 0.00 175.10 174.04 3kf8 n SER 174 N 7.21 0.53 -3.71 3.32 3.41 -0.08 -4.86 113.62 119.44 3kf8 n SER 174 Ca 0.15 0.23 -0.11 0.00 -0.26 0.00 0.00 58.87 58.88 3kf8 n SER 174 Cb 0.46 0.65 -0.11 0.00 -0.26 0.00 0.00 64.21 64.95 3kf8 n SER 174 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kf8 s LYS 175 N -2.93 0.34 0.00 4.33 2.20 -0.77 -5.00 119.74 117.91 3kf8 s LYS 175 Ca -0.05 0.70 0.06 0.00 -0.36 0.00 0.00 55.97 56.31 3kf8 s LYS 175 Cb 0.09 -0.04 -0.02 0.00 -1.51 0.00 0.00 37.83 36.35 3kf8 s LYS 175 CO 0.83 -0.15 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.99 3kf8 s ILE 176 N 1.31 1.37 -0.04 5.43 2.07 -1.26 -0.66 121.20 129.42 3kf8 s ILE 176 Ca -0.09 -0.84 0.01 0.00 -1.41 0.00 0.00 60.65 58.32 3kf8 s ILE 176 Cb -0.09 -1.16 0.02 0.00 0.13 0.00 0.00 42.46 41.36 3kf8 s ILE 176 CO -0.11 0.31 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.29 3kf8 s THR 177 N -0.52 0.52 -0.40 4.00 2.01 0.05 -4.97 115.64 116.34 3kf8 s THR 177 Ca 0.06 -0.13 -0.22 0.00 0.31 0.00 0.00 61.69 61.71 3kf8 s THR 177 Cb -0.07 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.91 3kf8 s THR 177 CO -0.00 0.22 0.72 -0.69 -0.69 0.00 0.00 174.62 174.17 3kf8 s VAL 178 N 0.83 4.77 0.19 3.82 1.01 -1.26 -0.85 120.40 128.91 3kf8 s VAL 178 Ca -0.11 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.48 3kf8 s VAL 178 Cb -0.14 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 31.91 3kf8 s VAL 178 CO 0.00 -0.50 1.42 -0.07 0.00 0.00 0.00 175.10 175.95 3kf8 h LEU 179 N 9.73 0.10 -7.01 3.92 3.38 -0.99 -3.46 115.31 120.99 3kf8 h LEU 179 Ca -0.25 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.67 3kf8 h LEU 179 Cb 1.10 -0.03 -0.21 0.00 0.09 0.00 0.00 40.66 41.61 3kf8 h LEU 179 CO 0.90 0.88 -0.06 -0.55 0.09 0.00 0.00 178.44 179.70 3kf8 s SER 180 N -6.84 -1.00 0.27 -0.43 0.15 -1.06 -4.98 113.70 99.82 3kf8 s SER 180 Ca -0.01 1.51 0.23 0.00 0.70 0.00 0.00 55.95 58.37 3kf8 s SER 180 Cb 0.11 1.74 0.14 0.00 -1.71 0.00 0.00 66.02 66.30 3kf8 s SER 180 CO 0.80 -0.23 1.25 0.45 1.20 0.00 0.00 173.24 176.72 3kf8 h HIS 181 N 7.44 0.00 -3.73 3.44 3.86 -1.88 -2.66 115.15 121.63 3kf8 h HIS 181 Ca -0.25 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.47 3kf8 h HIS 181 Cb 1.17 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.66 3kf8 h HIS 181 CO 0.11 0.00 0.14 1.03 0.86 0.00 0.00 177.93 180.07 3kf8 s ARG 182 N -3.30 3.73 0.12 2.45 1.81 -1.26 -4.78 118.95 117.71 3kf8 s ARG 182 Ca 0.02 0.45 -0.20 0.00 -1.72 0.00 0.00 55.73 54.29 3kf8 s ARG 182 Cb 0.08 -2.36 -0.07 0.00 -0.45 0.00 0.00 34.95 32.15 3kf8 s ARG 182 CO 0.74 -0.11 1.76 -1.00 -0.68 0.00 0.00 175.30 176.02 3kf8 h PRO 183 N 0.96 0.25 -6.22 3.54 0.13 -1.90 -3.37 132.00 125.39 3kf8 h PRO 183 Ca -0.47 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 3kf8 h PRO 183 Cb 1.19 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 3kf8 h PRO 183 CO 0.63 0.18 1.16 0.34 -0.23 0.00 0.00 178.00 180.08 3kf8 s ASP 184 N -5.39 5.91 -0.08 1.44 2.15 -1.26 -4.66 116.67 114.79 3kf8 s ASP 184 Ca -0.13 -0.31 0.14 0.00 0.43 0.00 0.00 52.55 52.67 3kf8 s ASP 184 Cb 0.08 -2.55 0.27 0.00 -0.30 0.00 0.00 42.92 40.42 3kf8 s ASP 184 CO 0.69 -1.99 1.13 0.61 -0.17 0.00 0.00 175.17 175.44 3kf8 n GLY 185 N 5.62 2.81 0.29 2.66 0.00 -1.26 -4.86 105.19 110.45 3kf8 n GLY 185 Ca 0.11 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.41 3kf8 n GLY 185 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kf8 h LEU 186 N 0.47 0.26 -1.73 0.99 5.85 -1.95 0.24 115.31 119.43 3kf8 h LEU 186 Ca -0.06 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3kf8 h LEU 186 Cb 1.33 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 3kf8 h LEU 186 CO 0.02 0.05 -0.14 1.12 -0.34 0.00 0.00 178.44 179.16 3kf8 h HIS 187 N 0.41 0.00 -0.06 1.25 2.07 -2.00 -1.22 115.15 115.60 3kf8 h HIS 187 Ca 0.46 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.82 3kf8 h HIS 187 Cb 0.78 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.75 3kf8 h HIS 187 CO -0.17 0.14 -0.68 0.74 -3.07 0.00 0.00 177.93 174.88 3kf8 h PHE 188 N 0.00 0.37 -0.30 6.12 -1.00 -0.95 -2.04 116.94 119.14 3kf8 h PHE 188 Ca -0.00 -0.16 -0.17 0.00 2.81 0.00 0.00 57.97 60.45 3kf8 h PHE 188 Cb 0.25 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.75 3kf8 h PHE 188 CO 0.00 0.87 -0.48 0.93 -1.61 0.00 0.00 178.31 178.02 3kf8 h GLU 189 N 0.19 0.86 -0.19 1.51 5.08 -0.45 0.05 114.58 121.64 3kf8 h GLU 189 Ca -0.02 -0.52 -0.06 0.00 -1.00 0.00 0.00 59.36 57.76 3kf8 h GLU 189 Cb 1.23 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3kf8 h GLU 189 CO 0.11 1.16 -0.15 0.74 -1.00 0.00 0.00 179.01 179.86 3kf8 h PHE 190 N 0.64 0.34 0.10 4.33 0.05 -1.20 0.68 116.94 121.87 3kf8 h PHE 190 Ca 0.03 -0.05 -0.00 0.00 3.82 0.00 0.00 57.97 61.76 3kf8 h PHE 190 Cb 1.09 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 38.94 3kf8 h PHE 190 CO 0.07 0.46 -0.05 1.49 -0.18 0.00 0.00 178.31 180.11 3kf8 h GLU 191 N 0.30 -0.13 0.30 1.51 4.81 -1.17 -1.52 114.58 118.67 3kf8 h GLU 191 Ca 0.06 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3kf8 h GLU 191 Cb 0.45 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3kf8 h GLU 191 CO 0.03 0.28 -0.14 1.96 -0.73 0.00 0.00 179.01 180.40 3kf8 h GLN 192 N -0.57 -0.39 -0.62 1.92 1.08 -0.66 -1.93 115.11 113.95 3kf8 h GLN 192 Ca -0.01 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.34 3kf8 h GLN 192 Cb 0.47 0.09 -0.10 0.00 -0.05 0.00 0.00 27.48 27.89 3kf8 h GLN 192 CO 0.02 -0.16 0.06 -1.49 -0.95 0.00 0.00 178.83 176.32 3kf8 h TRP 193 N -0.56 0.07 -0.16 2.96 6.55 0.28 -1.31 115.95 123.79 3kf8 h TRP 193 Ca -0.04 0.04 0.01 0.00 0.95 0.00 0.00 58.89 59.85 3kf8 h TRP 193 Cb 0.41 0.06 -0.01 0.00 -0.86 0.00 0.00 29.16 28.76 3kf8 h TRP 193 CO -0.02 -0.11 0.06 -0.22 -1.05 0.00 0.00 178.44 177.10 3kf8 h LYS 194 N 0.18 0.14 -0.30 0.49 3.64 -1.15 -0.05 116.57 119.52 3kf8 h LYS 194 Ca 0.33 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.76 3kf8 h LYS 194 Cb 0.52 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 3kf8 h LYS 194 CO -0.48 0.09 -0.06 -0.22 -2.27 0.00 0.00 179.45 176.51 3kf8 h LYS 195 N 0.15 0.02 0.00 1.90 3.64 -0.50 -0.04 116.57 121.73 3kf8 h LYS 195 Ca 0.07 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3kf8 h LYS 195 Cb 0.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3kf8 h LYS 195 CO -0.06 0.01 -0.33 0.00 -2.27 0.00 0.00 179.45 176.80 3kf8 h ARG 196 N 0.02 0.00 0.00 1.90 3.08 -1.01 -1.25 114.38 117.11 3kf8 h ARG 196 Ca 0.14 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3kf8 h ARG 196 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3kf8 h ARG 196 CO -0.29 0.33 -0.00 0.52 -1.07 0.00 0.00 179.97 179.46 3kf8 h MET 197 N 0.00 -0.00 -0.64 0.04 2.86 -0.25 -0.98 114.93 115.97 3kf8 h MET 197 Ca -0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3kf8 h MET 197 Cb 0.69 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.30 3kf8 h MET 197 CO 0.04 0.64 0.33 0.93 1.06 0.00 0.00 176.91 179.92 3kf8 h GLU 198 N -0.65 0.58 -0.58 1.72 5.08 -0.93 -0.36 114.58 119.44 3kf8 h GLU 198 Ca -0.00 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3kf8 h GLU 198 Cb 0.65 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3kf8 h GLU 198 CO 0.00 0.39 0.02 0.35 -1.00 0.00 0.00 179.01 178.77 3kf8 h PHE 199 N 0.60 1.10 -0.46 4.33 3.57 -1.26 -1.74 116.94 123.08 3kf8 h PHE 199 Ca 0.29 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3kf8 h PHE 199 Cb 0.23 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3kf8 h PHE 199 CO -0.10 0.97 0.05 -0.09 -2.23 0.00 0.00 178.31 176.92 3kf8 h ARG 200 N 0.90 0.72 0.33 1.11 2.43 -0.39 -1.57 114.38 117.91 3kf8 h ARG 200 Ca 0.17 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3kf8 h ARG 200 Cb 0.52 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3kf8 h ARG 200 CO 0.03 0.70 -0.16 0.87 -1.51 0.00 0.00 179.97 179.90 3kf8 h LYS 201 N 0.69 -0.43 0.00 0.20 1.57 -0.86 0.58 116.57 118.32 3kf8 h LYS 201 Ca 0.15 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3kf8 h LYS 201 Cb 0.35 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3kf8 h LYS 201 CO 0.01 -0.10 0.00 -0.91 -0.57 0.00 0.00 179.45 177.88 3kf8 h ASN 202 N -0.92 0.00 0.00 0.86 2.35 -1.32 -3.37 115.58 113.19 3kf8 h ASN 202 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3kf8 h ASN 202 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3kf8 h ASN 202 CO 0.07 0.00 -0.44 0.59 -1.65 0.00 0.00 177.43 176.01 3kf8 n ASN 203 N -2.67 2.18 -0.09 5.81 3.02 -0.60 -4.97 115.26 117.96 3kf8 n ASN 203 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 3kf8 n ASN 203 Cb 0.23 0.27 -0.11 0.00 -0.61 0.00 0.00 39.78 39.56 3kf8 n ASN 203 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kf8 n LEU 204 N -1.04 1.41 0.12 3.41 4.77 -0.45 -4.68 117.00 120.54 3kf8 n LEU 204 Ca 0.00 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 3kf8 n LEU 204 Cb 0.17 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3kf8 n LEU 204 CO 0.00 0.59 0.65 0.58 -1.33 0.00 0.00 177.39 177.89 3kf8 h VAL 205 N 0.00 0.33 -2.98 4.08 2.07 -1.09 -3.38 116.25 115.27 3kf8 h VAL 205 Ca -0.43 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.52 3kf8 h VAL 205 Cb 1.82 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3kf8 h VAL 205 CO -0.02 0.00 0.85 -1.61 0.02 0.00 0.00 177.57 176.81 3kf8 s GLU 206 N -6.02 4.26 0.65 1.57 2.02 -1.26 -4.98 118.70 114.94 3kf8 s GLU 206 Ca -0.16 1.56 -0.17 0.00 0.02 0.00 0.00 54.97 56.22 3kf8 s GLU 206 Cb 0.08 -3.71 -0.02 0.00 0.10 0.00 0.00 34.13 30.58 3kf8 s GLU 206 CO 0.64 -0.65 1.04 -0.35 0.02 0.00 0.00 175.26 175.96 3kf8 n PRO 207 N 6.37 0.81 -2.20 0.39 -0.04 -1.26 -4.93 135.00 134.13 3kf8 n PRO 207 Ca 0.13 0.33 -0.42 0.00 -0.04 0.00 0.00 63.50 63.50 3kf8 n PRO 207 Cb 0.45 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 3kf8 n PRO 207 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3kf8 s TRP 208 N -1.58 3.25 -0.17 0.54 -0.00 -1.26 -5.02 118.94 114.71 3kf8 s TRP 208 Ca 0.77 1.13 -0.00 0.00 -0.00 0.00 0.00 56.10 58.00 3kf8 s TRP 208 Cb -0.38 -3.63 0.04 0.00 -0.00 0.00 0.00 33.47 29.49 3kf8 s TRP 208 CO 0.46 -2.06 -0.08 0.08 -0.00 0.00 0.00 176.95 175.35 3kf8 s VAL 209 N 0.47 1.31 -0.31 5.86 1.01 -1.26 -4.64 120.40 122.84 3kf8 s VAL 209 Ca 0.59 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 3kf8 s VAL 209 Cb -0.37 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3kf8 s VAL 209 CO 0.35 0.21 0.28 0.12 0.00 0.00 0.00 175.10 176.07 3kf8 s PHE 210 N 1.56 3.22 -0.11 5.22 5.36 -1.26 -5.06 117.98 126.90 3kf8 s PHE 210 Ca 0.01 0.02 0.01 0.00 -0.96 0.00 0.00 56.93 56.01 3kf8 s PHE 210 Cb -0.15 -2.52 0.02 0.00 -0.34 0.00 0.00 43.02 40.03 3kf8 s PHE 210 CO -0.08 -0.31 -0.12 0.42 -1.46 0.00 0.00 175.22 173.67 3kf8 s ILE 211 N 1.87 1.31 0.06 3.12 1.01 -1.26 -5.11 121.20 122.20 3kf8 s ILE 211 Ca 0.09 -0.50 -0.35 0.00 0.00 0.00 0.00 60.65 59.89 3kf8 s ILE 211 Cb -0.17 -1.25 -0.14 0.00 0.01 0.00 0.00 42.46 40.92 3kf8 s ILE 211 CO 0.11 0.41 1.60 -2.65 0.00 0.00 0.00 174.94 174.41 3kf8 n PRO 212 N 4.54 1.85 -3.70 2.79 -0.02 -1.26 -3.63 135.00 135.57 3kf8 n PRO 212 Ca -0.17 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3kf8 n PRO 212 Cb 0.51 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3kf8 n PRO 212 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kf8 n THR 213 N 3.66 0.00 0.00 3.45 -2.24 -1.26 -5.22 114.28 112.67 3kf8 n THR 213 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 3kf8 n THR 213 Cb 0.25 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3kf8 n THR 213 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85