#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkh s VAL 2 N 0.00 0.70 -0.14 1.61 0.11 -1.26 -1.60 120.40 119.82 1fkh s VAL 2 Ca 0.00 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.74 1fkh s VAL 2 Cb 0.00 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1fkh s VAL 2 CO 0.00 0.24 0.00 -1.58 -3.33 0.00 0.00 175.10 170.44 1fkh s GLN 3 N 0.56 3.55 -0.21 1.54 0.74 -0.44 -4.97 119.66 120.44 1fkh s GLN 3 Ca -0.09 -0.43 -0.02 0.00 0.05 0.00 0.00 55.36 54.87 1fkh s GLN 3 Cb -0.12 -2.97 0.01 0.00 1.10 0.00 0.00 33.01 31.03 1fkh s GLN 3 CO 0.01 0.40 -0.10 0.08 -0.55 0.00 0.00 175.29 175.13 1fkh s VAL 4 N -0.03 2.85 -0.16 1.34 1.01 -1.26 -1.64 120.40 122.51 1fkh s VAL 4 Ca 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1fkh s VAL 4 Cb -0.13 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1fkh s VAL 4 CO 0.02 0.42 -0.19 -1.61 0.00 0.00 0.00 175.10 173.74 1fkh s GLU 5 N 1.39 3.05 0.21 2.72 2.02 -0.06 -4.96 118.70 123.07 1fkh s GLU 5 Ca 0.05 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.92 1fkh s GLU 5 Cb -0.14 -2.55 -0.09 0.00 0.10 0.00 0.00 34.13 31.45 1fkh s GLU 5 CO -0.07 -0.10 1.20 0.99 0.02 0.00 0.00 175.26 177.30 1fkh s THR 6 N 1.05 3.45 -0.25 3.63 2.01 -1.26 0.01 115.64 124.27 1fkh s THR 6 Ca -0.01 1.27 -0.12 0.00 0.31 0.00 0.00 61.69 63.14 1fkh s THR 6 Cb -0.14 -3.81 -0.15 0.00 0.01 0.00 0.00 72.50 68.40 1fkh s THR 6 CO -0.06 0.23 -0.17 -0.38 -0.69 0.00 0.00 174.62 173.54 1fkh n ILE 7 N 2.15 1.54 -3.94 1.82 5.41 0.12 -4.85 119.36 121.62 1fkh n ILE 7 Ca 0.03 -0.38 -0.15 0.00 1.00 0.00 0.00 62.75 63.25 1fkh n ILE 7 Cb 0.44 -1.81 -0.15 0.00 -0.71 0.00 0.00 39.64 37.41 1fkh n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1fkh s SER 8 N -7.16 0.29 0.70 4.38 0.01 -0.26 -4.97 113.70 106.69 1fkh s SER 8 Ca -0.35 -0.02 -0.15 0.00 1.31 0.00 0.00 55.95 56.73 1fkh s SER 8 Cb 0.11 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.25 1fkh s SER 8 CO 0.55 -0.05 1.18 -2.16 0.41 0.00 0.00 173.24 173.18 1fkh s PRO 9 N 0.53 2.41 0.00 12.44 0.04 -1.26 -1.05 135.00 148.10 1fkh s PRO 9 Ca -0.05 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1fkh s PRO 9 Cb -0.08 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1fkh s PRO 9 CO -0.01 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.83 1fkh n GLY 10 N 0.17 1.93 0.06 0.56 0.00 -1.26 -4.03 105.19 102.62 1fkh n GLY 10 Ca 0.13 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.31 1fkh n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fkh n ASP 11 N 0.00 0.62 -0.68 1.61 5.68 -0.60 -4.82 116.55 118.36 1fkh n ASP 11 Ca 0.00 0.27 -0.09 0.00 -0.50 0.00 0.00 54.79 54.47 1fkh n ASP 11 Cb 0.00 -0.23 -0.04 0.00 -1.14 0.00 0.00 41.12 39.71 1fkh n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fkh n GLY 12 N 1.37 1.04 0.00 6.12 0.00 -1.26 -4.77 105.19 107.68 1fkh n GLY 12 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1fkh n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkh n ARG 13 N -2.29 0.27 -3.63 1.61 1.74 -1.26 -5.03 116.66 108.07 1fkh n ARG 13 Ca -0.09 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.60 1fkh n ARG 13 Cb 0.35 -0.60 -0.09 0.00 -1.02 0.00 0.00 32.46 31.09 1fkh n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fkh s THR 14 N -1.21 3.90 -0.07 0.55 2.01 -1.26 -5.05 115.64 114.52 1fkh s THR 14 Ca 0.00 -1.89 -0.00 0.00 0.31 0.00 0.00 61.69 60.11 1fkh s THR 14 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1fkh s THR 14 CO 0.00 -0.75 -0.03 -0.36 -0.69 0.00 0.00 174.62 172.79 1fkh s PHE 15 N 1.28 3.06 0.30 4.92 0.08 -1.26 -0.92 117.98 125.44 1fkh s PHE 15 Ca 0.07 0.11 -0.29 0.00 0.12 0.00 0.00 56.93 56.94 1fkh s PHE 15 Cb -0.25 -1.74 -0.10 0.00 -0.57 0.00 0.00 43.02 40.36 1fkh s PHE 15 CO -0.02 0.42 1.22 -1.25 -0.10 0.00 0.00 175.22 175.49 1fkh s PRO 16 N -0.96 4.47 0.12 0.24 0.04 -1.26 -5.03 135.00 132.62 1fkh s PRO 16 Ca 0.14 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.25 1fkh s PRO 16 Cb -0.11 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1fkh s PRO 16 CO 0.03 -0.04 0.12 0.15 0.04 0.00 0.00 177.00 177.31 1fkh s LYS 17 N -1.46 2.95 0.21 4.56 1.02 -1.26 -4.87 119.74 120.89 1fkh s LYS 17 Ca 0.48 -0.75 -0.32 0.00 0.02 0.00 0.00 55.97 55.41 1fkh s LYS 17 Cb -0.36 -2.72 -0.15 0.00 -0.52 0.00 0.00 37.83 34.08 1fkh s LYS 17 CO 0.47 0.53 1.25 -2.13 -0.92 0.00 0.00 175.35 174.55 1fkh n ARG 18 N 0.05 1.54 0.00 1.68 0.63 -1.26 -1.85 116.66 117.45 1fkh n ARG 18 Ca -0.08 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 1fkh n ARG 18 Cb 0.53 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.34 1fkh n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fkh n GLY 19 N 1.99 1.62 3.85 5.14 0.00 0.54 -5.00 105.19 113.34 1fkh n GLY 19 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1fkh n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fkh s GLN 20 N -0.75 3.91 -0.20 1.61 -0.21 -0.77 -4.85 119.66 118.40 1fkh s GLN 20 Ca 0.00 0.41 -0.18 0.00 0.02 0.00 0.00 55.36 55.60 1fkh s GLN 20 Cb 0.00 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 31.11 1fkh s GLN 20 CO 0.00 0.44 0.52 0.99 -2.12 0.00 0.00 175.29 175.13 1fkh s THR 21 N -1.55 5.10 -0.10 -0.19 2.01 -1.26 -1.15 115.64 118.50 1fkh s THR 21 Ca 0.40 0.96 -0.13 0.00 0.31 0.00 0.00 61.69 63.23 1fkh s THR 21 Cb -0.14 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 1fkh s THR 21 CO 0.20 0.18 0.32 0.00 -0.69 0.00 0.00 174.62 174.62 1fkh s VAL 23 N -0.28 3.66 0.11 0.00 1.01 -0.46 -2.46 120.40 121.98 1fkh s VAL 23 Ca 0.19 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1fkh s VAL 23 Cb -0.14 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1fkh s VAL 23 CO 0.08 0.30 -0.14 0.68 0.00 0.00 0.00 175.10 176.01 1fkh s VAL 24 N 1.50 1.31 -0.09 2.92 -7.23 0.01 -0.84 120.40 117.98 1fkh s VAL 24 Ca 0.05 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1fkh s VAL 24 Cb -0.15 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1fkh s VAL 24 CO -0.01 -0.37 -0.04 -1.00 -0.31 0.00 0.00 175.10 173.37 1fkh s HIS 25 N -1.97 3.02 0.04 2.82 3.76 -0.44 -0.58 115.29 121.94 1fkh s HIS 25 Ca 0.07 0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.95 1fkh s HIS 25 Cb -0.06 -1.78 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 1fkh s HIS 25 CO 0.03 0.31 0.09 1.52 -0.85 0.00 0.00 174.74 175.84 1fkh s TYR 26 N -0.63 0.21 -0.14 1.40 1.13 -1.26 -0.40 117.35 117.66 1fkh s TYR 26 Ca 0.10 -0.51 0.01 0.00 -1.41 0.00 0.00 57.07 55.25 1fkh s TYR 26 Cb -0.12 -0.15 0.02 0.00 -1.10 0.00 0.00 41.96 40.62 1fkh s TYR 26 CO 0.02 -0.36 -0.15 0.99 -2.51 0.00 0.00 175.55 173.54 1fkh s THR 27 N -2.59 1.59 -0.17 -3.49 2.01 -0.22 -1.28 115.64 111.49 1fkh s THR 27 Ca -0.05 -0.65 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 1fkh s THR 27 Cb -0.01 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 1fkh s THR 27 CO -0.04 0.46 0.29 -0.83 -0.69 0.00 0.00 174.62 173.81 1fkh s GLY 28 N 1.37 2.17 0.09 4.40 0.00 0.45 -1.28 107.32 114.52 1fkh s GLY 28 Ca 0.03 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.28 1fkh s GLY 28 CO -0.09 0.47 -0.12 1.06 0.00 0.00 0.00 173.10 174.43 1fkh s MET 29 N 0.63 0.83 0.89 2.90 -1.94 0.12 -1.23 119.30 121.49 1fkh s MET 29 Ca 0.16 -1.06 -0.14 0.00 -1.71 0.00 0.00 55.69 52.94 1fkh s MET 29 Cb -0.13 -0.64 0.14 0.00 2.01 0.00 0.00 34.83 36.20 1fkh s MET 29 CO 0.04 0.12 1.23 -0.51 -0.01 0.00 0.00 175.02 175.89 1fkh s LEU 30 N -2.14 2.50 0.58 -0.03 1.43 -0.25 -0.60 118.68 120.18 1fkh s LEU 30 Ca 0.02 0.59 0.34 0.00 -1.03 0.00 0.00 54.13 54.05 1fkh s LEU 30 Cb -0.06 -2.88 1.79 0.00 0.03 0.00 0.00 46.19 45.07 1fkh s LEU 30 CO 0.01 -2.33 2.18 -0.33 0.23 0.00 0.00 176.35 176.11 1fkh h GLU 31 N -1.35 0.00 -0.00 1.70 5.08 -1.91 -1.52 114.58 116.58 1fkh h GLU 31 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1fkh h GLU 31 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1fkh h GLU 31 CO 0.54 0.05 -0.03 -0.40 -1.00 0.00 0.00 179.01 178.17 1fkh n ASP 32 N -3.41 0.36 0.00 1.42 5.68 -1.26 -4.89 116.55 114.45 1fkh n ASP 32 Ca -0.02 -0.86 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 1fkh n ASP 32 Cb 0.18 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1fkh n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fkh n GLY 33 N 1.14 1.24 3.63 6.12 0.00 -0.57 -5.03 105.19 111.72 1fkh n GLY 33 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1fkh n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fkh s LYS 34 N -0.78 3.59 0.01 1.61 2.47 -1.25 -4.72 119.74 120.66 1fkh s LYS 34 Ca 0.00 2.11 -0.30 0.00 -1.56 0.00 0.00 55.97 56.22 1fkh s LYS 34 Cb 0.00 -4.23 -0.04 0.00 -1.46 0.00 0.00 37.83 32.10 1fkh s LYS 34 CO 0.00 -1.57 1.16 0.21 0.16 0.00 0.00 175.35 175.30 1fkh s LYS 35 N 5.39 4.43 -0.01 4.03 2.20 -1.26 -1.09 119.74 133.42 1fkh s LYS 35 Ca 0.90 1.67 0.12 0.00 -0.36 0.00 0.00 55.97 58.29 1fkh s LYS 35 Cb -0.34 -3.44 -0.17 0.00 -1.51 0.00 0.00 37.83 32.36 1fkh s LYS 35 CO 0.36 -0.29 0.27 1.97 -0.36 0.00 0.00 175.35 177.30 1fkh n PHE 36 N 4.39 0.00 -3.55 4.03 1.16 -0.37 -4.98 117.46 118.14 1fkh n PHE 36 Ca 0.09 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.59 1fkh n PHE 36 Cb 0.47 -0.24 -0.03 0.00 -1.61 0.00 0.00 39.48 38.07 1fkh n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fkh s ASP 37 N -3.24 -0.30 -0.28 5.98 2.15 -1.21 -5.01 116.67 114.77 1fkh s ASP 37 Ca -0.04 0.13 -0.14 0.00 0.43 0.00 0.00 52.55 52.93 1fkh s ASP 37 Cb 0.07 0.28 0.10 0.00 -0.30 0.00 0.00 42.92 43.08 1fkh s ASP 37 CO 0.48 -0.41 0.67 -0.55 -0.17 0.00 0.00 175.17 175.18 1fkh s SER 38 N -1.91 -1.00 0.49 -0.34 0.15 -1.26 -0.41 113.70 109.42 1fkh s SER 38 Ca 0.04 1.52 0.28 0.00 0.70 0.00 0.00 55.95 58.49 1fkh s SER 38 Cb -0.01 1.68 0.95 0.00 -1.71 0.00 0.00 66.02 66.93 1fkh s SER 38 CO -0.05 -0.23 1.83 0.77 1.20 0.00 0.00 173.24 176.76 1fkh h SER 39 N 7.36 0.00 0.44 5.45 4.64 -1.48 -3.00 113.55 126.95 1fkh h SER 39 Ca -0.26 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1fkh h SER 39 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1fkh h SER 39 CO 0.14 0.07 -0.32 0.03 -0.87 0.00 0.00 176.83 175.88 1fkh h ARG 40 N 0.00 0.00 -0.08 4.77 3.08 -1.84 0.29 114.38 120.59 1fkh h ARG 40 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1fkh h ARG 40 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1fkh h ARG 40 CO 0.01 0.32 -0.58 -0.44 -1.07 0.00 0.00 179.97 178.21 1fkh h ASP 41 N 0.00 0.30 1.71 7.04 3.32 -1.86 -2.76 116.42 124.17 1fkh h ASP 41 Ca -0.00 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1fkh h ASP 41 Cb 0.63 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1fkh h ASP 41 CO 0.04 0.82 -0.30 0.03 -1.72 0.00 0.00 179.24 178.11 1fkh h ARG 42 N 0.20 0.00 -5.92 3.56 3.08 -1.37 -3.48 114.38 110.45 1fkh h ARG 42 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 1fkh h ARG 42 Cb 1.08 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.23 1fkh h ARG 42 CO 0.09 0.26 -0.78 -1.71 -1.07 0.00 0.00 179.97 176.76 1fkh n ASN 43 N -3.15 -2.55 -3.38 7.04 5.15 0.94 -4.98 115.26 114.32 1fkh n ASN 43 Ca 0.03 -0.71 -0.09 0.00 -0.60 0.00 0.00 54.58 53.21 1fkh n ASN 43 Cb 0.64 -4.55 -0.08 0.00 -0.53 0.00 0.00 39.78 35.26 1fkh n ASN 43 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1fkh s LYS 44 N -5.87 0.35 0.72 1.20 2.20 -1.13 -5.06 119.74 112.14 1fkh s LYS 44 Ca 0.15 0.60 -0.16 0.00 -0.36 0.00 0.00 55.97 56.20 1fkh s LYS 44 Cb -0.07 -0.37 0.03 0.00 -1.51 0.00 0.00 37.83 35.91 1fkh s LYS 44 CO 0.77 -0.60 1.24 -2.14 -0.36 0.00 0.00 175.35 174.26 1fkh s PRO 45 N 2.56 2.16 -0.08 4.03 0.02 -1.26 -4.72 135.00 137.71 1fkh s PRO 45 Ca 0.11 1.87 -0.06 0.00 0.02 0.00 0.00 61.00 62.94 1fkh s PRO 45 Cb -0.15 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1fkh s PRO 45 CO -0.16 -1.85 0.18 0.12 -0.33 0.00 0.00 177.00 174.96 1fkh s PHE 46 N -1.81 3.59 0.02 6.54 5.36 0.26 -4.86 117.98 127.08 1fkh s PHE 46 Ca 0.77 0.52 0.09 0.00 -0.96 0.00 0.00 56.93 57.34 1fkh s PHE 46 Cb -0.32 -1.94 -0.02 0.00 -0.34 0.00 0.00 43.02 40.40 1fkh s PHE 46 CO 0.44 0.70 -0.26 0.15 -1.46 0.00 0.00 175.22 174.80 1fkh s LYS 47 N -1.31 1.87 0.01 10.12 1.02 -1.26 -0.81 119.74 129.38 1fkh s LYS 47 Ca 0.20 -1.01 -0.14 0.00 0.02 0.00 0.00 55.97 55.03 1fkh s LYS 47 Cb -0.13 -1.95 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1fkh s LYS 47 CO 0.09 0.52 0.29 -0.59 -0.92 0.00 0.00 175.35 174.74 1fkh s PHE 48 N -0.72 -0.13 -0.16 3.18 -0.71 -1.03 -4.99 117.98 113.42 1fkh s PHE 48 Ca 0.11 0.10 -0.17 0.00 -1.04 0.00 0.00 56.93 55.92 1fkh s PHE 48 Cb -0.10 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 1fkh s PHE 48 CO 0.01 -0.44 0.46 1.41 -1.34 0.00 0.00 175.22 175.32 1fkh s MET 49 N -1.90 4.26 0.16 1.99 -2.45 -1.26 -1.54 119.30 118.55 1fkh s MET 49 Ca -0.10 0.37 -0.31 0.00 -1.25 0.00 0.00 55.69 54.39 1fkh s MET 49 Cb -0.03 -3.49 -0.10 0.00 1.25 0.00 0.00 34.83 32.46 1fkh s MET 49 CO 0.01 0.04 1.55 -1.17 1.05 0.00 0.00 175.02 176.49 1fkh s LEU 50 N 1.04 4.37 0.00 4.11 2.96 -0.30 -2.63 118.68 128.23 1fkh s LEU 50 Ca 0.23 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 1fkh s LEU 50 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1fkh s LEU 50 CO 0.09 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 174.93 1fkh n GLY 51 N 3.73 1.23 0.00 7.98 0.00 -1.26 -0.34 105.19 116.53 1fkh n GLY 51 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 1fkh n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fkh n LYS 52 N -2.00 0.87 -3.61 1.61 4.81 -1.08 -4.90 118.16 113.85 1fkh n LYS 52 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1fkh n LYS 52 Cb 0.00 -1.50 0.07 0.00 0.02 0.00 0.00 35.03 33.62 1fkh n LYS 52 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1fkh n GLN 53 N -1.06 -6.57 -0.00 1.64 6.02 -1.26 -4.93 117.38 111.22 1fkh n GLN 53 Ca 0.22 0.76 0.02 0.00 -0.01 0.00 0.00 57.00 57.99 1fkh n GLN 53 Cb 0.13 -5.68 0.02 0.00 1.02 0.00 0.00 30.24 25.73 1fkh n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1fkh n GLU 54 N -4.53 -0.35 -4.33 -1.09 0.28 -1.26 -4.99 120.64 104.37 1fkh n GLU 54 Ca -0.14 -0.77 -0.17 0.00 -0.16 0.00 0.00 57.16 55.91 1fkh n GLU 54 Cb 0.61 -1.09 -0.10 0.00 1.43 0.00 0.00 31.44 32.30 1fkh n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1fkh s VAL 55 N -0.37 1.07 0.71 3.84 -7.23 -1.26 -5.10 120.40 112.06 1fkh s VAL 55 Ca 0.05 -2.04 -0.16 0.00 -1.81 0.00 0.00 61.98 58.02 1fkh s VAL 55 Cb 0.04 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.68 1fkh s VAL 55 CO 0.06 -0.35 1.14 2.30 -0.31 0.00 0.00 175.10 177.94 1fkh n ILE 56 N -0.41 3.49 -0.26 -0.62 -5.35 -1.26 -4.80 119.36 110.15 1fkh n ILE 56 Ca -0.05 -0.39 0.09 0.00 -0.27 0.00 0.00 62.75 62.13 1fkh n ILE 56 Cb 0.64 -1.27 0.34 0.00 -1.74 0.00 0.00 39.64 37.60 1fkh n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fkh h ARG 57 N -0.08 0.76 0.00 6.28 2.43 -1.85 -0.28 114.38 121.65 1fkh h ARG 57 Ca -0.48 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.62 1fkh h ARG 57 Cb 1.33 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1fkh h ARG 57 CO 0.49 0.51 -0.10 0.78 -1.51 0.00 0.00 179.97 180.14 1fkh h GLY 58 N 0.79 0.00 0.16 2.80 0.00 -1.51 -0.20 103.07 105.11 1fkh h GLY 58 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1fkh h GLY 58 CO -0.17 0.00 -0.05 1.49 0.00 0.00 0.00 176.54 177.81 1fkh h TRP 59 N 0.00 0.04 -0.51 5.60 4.06 -1.33 -0.44 115.95 123.37 1fkh h TRP 59 Ca -0.00 -0.03 0.10 0.00 2.06 0.00 0.00 58.89 61.03 1fkh h TRP 59 Cb 0.22 -0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.28 1fkh h TRP 59 CO 0.00 0.91 -0.09 0.93 -3.56 0.00 0.00 178.44 176.63 1fkh h GLU 60 N -0.83 0.03 0.02 0.49 4.39 -1.21 0.19 114.58 117.66 1fkh h GLU 60 Ca -0.01 -0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 1fkh h GLU 60 Cb 0.92 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1fkh h GLU 60 CO 0.01 0.02 -0.93 0.93 -1.16 0.00 0.00 179.01 177.88 1fkh h GLU 61 N 0.03 0.19 0.12 2.33 4.39 -1.13 -3.15 114.58 117.36 1fkh h GLU 61 Ca 0.25 -0.22 -0.26 0.00 0.34 0.00 0.00 59.36 59.47 1fkh h GLU 61 Cb 0.39 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1fkh h GLU 61 CO -0.50 0.99 -1.30 0.78 -1.16 0.00 0.00 179.01 177.82 1fkh h GLY 62 N 1.92 0.30 2.00 -3.84 0.00 -0.60 -3.32 103.07 99.53 1fkh h GLY 62 Ca -0.05 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.44 1fkh h GLY 62 CO 0.14 0.66 -0.39 -2.08 0.00 0.00 0.00 176.54 174.87 1fkh h VAL 63 N -0.31 0.93 0.00 4.60 2.07 -0.79 -2.62 116.25 120.13 1fkh h VAL 63 Ca -0.27 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1fkh h VAL 63 Cb 1.74 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1fkh h VAL 63 CO 0.08 0.38 0.00 0.00 0.02 0.00 0.00 177.57 178.05 1fkh n ALA 64 N -2.31 1.58 1.09 1.67 0.00 -1.19 -1.86 120.51 119.49 1fkh n ALA 64 Ca -0.00 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1fkh n ALA 64 Cb 0.51 -1.22 0.13 0.00 0.00 0.00 0.00 19.45 18.88 1fkh n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fkh n GLN 65 N -1.56 1.27 -3.82 0.00 6.02 -0.99 -4.51 117.38 113.79 1fkh n GLN 65 Ca 0.03 -0.98 -0.31 0.00 -0.01 0.00 0.00 57.00 55.73 1fkh n GLN 65 Cb 0.15 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 1fkh n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1fkh s MET 66 N -2.41 3.51 0.24 -1.09 -1.94 -0.78 -5.09 119.30 111.75 1fkh s MET 66 Ca 0.22 -0.29 0.07 0.00 -1.71 0.00 0.00 55.69 53.98 1fkh s MET 66 Cb 0.19 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 34.01 1fkh s MET 66 CO 0.52 0.56 0.12 -1.54 -0.01 0.00 0.00 175.02 174.67 1fkh s SER 67 N -2.42 5.22 0.25 3.03 1.04 -1.26 -4.21 113.70 115.36 1fkh s SER 67 Ca 0.36 -0.34 -0.31 0.00 0.48 0.00 0.00 55.95 56.14 1fkh s SER 67 Cb -0.13 -1.24 -0.12 0.00 0.10 0.00 0.00 66.02 64.63 1fkh s SER 67 CO 0.26 -0.01 1.67 -0.69 0.98 0.00 0.00 173.24 175.46 1fkh s VAL 68 N -2.10 2.01 0.00 5.02 1.01 -0.09 -1.31 120.40 124.94 1fkh s VAL 68 Ca 0.32 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1fkh s VAL 68 Cb -0.08 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1fkh s VAL 68 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1fkh n GLY 69 N 3.18 3.05 3.76 4.51 0.00 0.52 -1.56 105.19 118.65 1fkh n GLY 69 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1fkh n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fkh s GLN 70 N -0.89 4.58 -0.11 1.61 0.74 -0.43 -4.37 119.66 120.79 1fkh s GLN 70 Ca 0.00 1.88 0.03 0.00 0.05 0.00 0.00 55.36 57.32 1fkh s GLN 70 Cb 0.00 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.95 1fkh s GLN 70 CO 0.00 0.13 -0.22 0.50 -0.55 0.00 0.00 175.29 175.14 1fkh s ARG 71 N -1.53 3.08 0.03 1.67 3.52 -0.22 -1.49 118.95 124.01 1fkh s ARG 71 Ca 0.45 -0.86 -0.05 0.00 -0.13 0.00 0.00 55.73 55.14 1fkh s ARG 71 Cb -0.33 -2.36 -0.01 0.00 -1.56 0.00 0.00 34.95 30.69 1fkh s ARG 71 CO 0.43 0.14 0.10 0.00 -0.81 0.00 0.00 175.30 175.16 1fkh s ALA 72 N 0.44 -0.11 -0.25 6.12 0.00 -0.14 0.16 121.76 127.99 1fkh s ALA 72 Ca -0.16 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 1fkh s ALA 72 Cb -0.17 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1fkh s ALA 72 CO 0.06 -0.28 0.15 0.21 0.00 0.00 0.00 175.76 175.90 1fkh s LYS 73 N -2.28 3.95 -0.39 0.00 2.20 0.10 -0.81 119.74 122.53 1fkh s LYS 73 Ca -0.08 -0.33 -0.12 0.00 -0.36 0.00 0.00 55.97 55.09 1fkh s LYS 73 Cb -0.03 -3.54 0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1fkh s LYS 73 CO -0.03 -0.06 0.23 -0.51 -0.36 0.00 0.00 175.35 174.62 1fkh s LEU 74 N 1.40 4.85 -0.27 5.43 1.43 0.41 -0.88 118.68 131.04 1fkh s LEU 74 Ca 0.07 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.03 1fkh s LEU 74 Cb -0.15 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1fkh s LEU 74 CO 0.07 -0.41 0.31 -0.89 0.23 0.00 0.00 176.35 175.66 1fkh s THR 75 N 1.58 5.22 -0.17 5.49 2.01 -0.65 -0.67 115.64 128.46 1fkh s THR 75 Ca 0.03 0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1fkh s THR 75 Cb -0.19 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1fkh s THR 75 CO 0.07 0.20 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.40 1fkh s ILE 76 N 1.89 2.40 0.61 1.82 1.01 0.27 -1.32 121.20 127.87 1fkh s ILE 76 Ca 0.13 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 1fkh s ILE 76 Cb -0.16 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 1fkh s ILE 76 CO 0.10 0.52 1.11 -0.94 0.00 0.00 0.00 174.94 175.73 1fkh s SER 77 N 1.04 5.40 0.34 3.58 1.04 -0.63 -0.87 113.70 123.60 1fkh s SER 77 Ca -0.01 2.03 0.11 0.00 0.48 0.00 0.00 55.95 58.55 1fkh s SER 77 Cb -0.15 -2.56 0.88 0.00 0.10 0.00 0.00 66.02 64.30 1fkh s SER 77 CO -0.05 -1.43 1.79 -0.65 0.98 0.00 0.00 173.24 173.88 1fkh h PRO 78 N 0.45 0.60 0.00 4.02 0.11 -1.88 0.53 132.00 135.82 1fkh h PRO 78 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1fkh h PRO 78 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1fkh h PRO 78 CO 0.55 0.40 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 1fkh n ASP 79 N -4.69 0.29 -1.05 -2.05 5.75 -1.26 0.50 116.55 114.03 1fkh n ASP 79 Ca 0.23 0.55 0.11 0.00 -0.01 0.00 0.00 54.79 55.67 1fkh n ASP 79 Cb 0.66 -0.62 0.20 0.00 -1.03 0.00 0.00 41.12 40.33 1fkh n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1fkh n TYR 80 N -1.80 0.49 0.00 2.11 4.02 0.16 -4.85 117.16 117.30 1fkh n TYR 80 Ca 0.04 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 1fkh n TYR 80 Cb 0.26 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1fkh n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkh n ALA 81 N 1.32 0.00 -0.29 -0.72 0.00 -0.25 -1.18 120.51 119.39 1fkh n ALA 81 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1fkh n ALA 81 Cb 0.56 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.24 1fkh n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fkh n TYR 82 N 0.00 0.72 -0.01 0.00 4.01 -1.01 -4.79 117.16 116.08 1fkh n TYR 82 Ca 0.00 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 1fkh n TYR 82 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1fkh n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fkh n GLY 83 N 0.94 2.89 0.15 2.72 0.00 0.18 -1.96 105.19 110.12 1fkh n GLY 83 Ca 0.17 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1fkh n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fkh h ALA 84 N -0.32 0.83 -0.31 4.61 0.00 -1.95 0.13 119.26 122.26 1fkh h ALA 84 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1fkh h ALA 84 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1fkh h ALA 84 CO 0.00 0.65 -0.38 1.15 0.00 0.00 0.00 179.25 180.67 1fkh h THR 85 N 0.00 1.29 -0.45 0.00 2.02 -1.82 -3.40 112.91 110.55 1fkh h THR 85 Ca -0.01 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1fkh h THR 85 Cb 1.16 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1fkh h THR 85 CO 0.07 0.51 0.00 0.61 0.37 0.00 0.00 175.52 177.07 1fkh n GLY 86 N 0.22 -0.20 2.81 2.16 0.00 -0.83 -4.46 105.19 104.90 1fkh n GLY 86 Ca -0.04 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 1fkh n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fkh s HIS 87 N 0.00 1.36 -0.33 1.61 2.46 -0.01 -4.88 115.29 115.50 1fkh s HIS 87 Ca 0.00 -0.97 -0.15 0.00 0.47 0.00 0.00 55.06 54.41 1fkh s HIS 87 Cb 0.00 -1.16 -0.09 0.00 -0.13 0.00 0.00 32.58 31.21 1fkh s HIS 87 CO 0.00 -0.60 1.04 -2.30 -2.47 0.00 0.00 174.74 170.41 1fkh n PRO 88 N 4.96 0.00 0.00 2.88 -0.02 -1.26 -0.94 135.00 140.62 1fkh n PRO 88 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1fkh n PRO 88 Cb 0.47 -0.63 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 1fkh n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fkh n GLY 89 N 2.92 2.62 0.71 -1.23 0.00 -1.26 -4.74 105.19 104.21 1fkh n GLY 89 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 1fkh n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fkh n ILE 90 N -2.00 0.32 -4.16 -0.61 5.41 -0.33 -4.98 119.36 113.02 1fkh n ILE 90 Ca 0.00 -0.09 -0.34 0.00 1.00 0.00 0.00 62.75 63.32 1fkh n ILE 90 Cb 0.00 -1.46 -0.14 0.00 -0.71 0.00 0.00 39.64 37.33 1fkh n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1fkh s ILE 91 N -2.11 3.18 0.80 1.39 -1.09 -0.11 -4.95 121.20 118.31 1fkh s ILE 91 Ca -0.08 -0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 57.65 1fkh s ILE 91 Cb 0.03 -2.41 0.08 0.00 -1.58 0.00 0.00 42.46 38.58 1fkh s ILE 91 CO 0.11 0.46 1.13 -2.16 -1.23 0.00 0.00 174.94 173.25 1fkh s PRO 92 N 1.14 1.87 0.41 2.79 0.04 -1.26 -0.83 135.00 139.16 1fkh s PRO 92 Ca 0.01 1.41 -0.24 0.00 0.04 0.00 0.00 61.00 62.22 1fkh s PRO 92 Cb -0.14 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 1fkh s PRO 92 CO -0.02 -1.97 0.82 -2.30 0.04 0.00 0.00 177.00 173.57 1fkh n PRO 93 N -3.54 0.99 -3.74 0.56 -0.02 -1.26 -3.51 135.00 124.49 1fkh n PRO 93 Ca 0.11 0.36 -0.26 0.00 -2.02 0.00 0.00 63.50 61.69 1fkh n PRO 93 Cb 0.52 -1.79 0.05 0.00 -0.02 0.00 0.00 33.50 32.26 1fkh n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1fkh n HIS 94 N -0.60 -2.38 -3.59 6.00 8.25 0.46 -4.96 115.22 118.40 1fkh n HIS 94 Ca 0.11 0.93 -0.36 0.00 -0.26 0.00 0.00 57.72 58.13 1fkh n HIS 94 Cb 0.38 -4.46 -0.07 0.00 1.12 0.00 0.00 29.99 26.97 1fkh n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fkh s ALA 95 N -3.38 3.61 0.05 -1.41 0.00 -1.23 -4.83 121.76 114.57 1fkh s ALA 95 Ca 0.46 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 1fkh s ALA 95 Cb -0.22 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1fkh s ALA 95 CO 0.79 0.08 0.96 0.99 0.00 0.00 0.00 175.76 178.58 1fkh s THR 96 N 0.50 4.70 0.20 0.00 2.01 -1.26 -3.64 115.64 118.14 1fkh s THR 96 Ca 0.14 2.04 0.09 0.00 0.31 0.00 0.00 61.69 64.27 1fkh s THR 96 Cb -0.12 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 1fkh s THR 96 CO 0.02 0.24 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.33 1fkh s LEU 97 N 0.51 2.93 -0.13 4.42 2.01 -0.05 -4.06 118.68 124.30 1fkh s LEU 97 Ca 0.49 -0.64 0.01 0.00 0.01 0.00 0.00 54.13 54.00 1fkh s LEU 97 Cb -0.22 -1.59 0.02 0.00 0.01 0.00 0.00 46.19 44.41 1fkh s LEU 97 CO 0.28 0.09 -0.14 -0.69 1.01 0.00 0.00 176.35 176.91 1fkh s VAL 98 N -1.81 1.46 -0.05 -1.59 1.01 0.24 -0.57 120.40 119.08 1fkh s VAL 98 Ca 0.25 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1fkh s VAL 98 Cb -0.08 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1fkh s VAL 98 CO 0.15 0.44 -0.24 -0.36 0.00 0.00 0.00 175.10 175.09 1fkh s PHE 99 N 1.33 2.34 -0.34 5.22 0.40 0.16 0.14 117.98 127.23 1fkh s PHE 99 Ca 0.01 -0.69 -0.18 0.00 -0.60 0.00 0.00 56.93 55.47 1fkh s PHE 99 Cb -0.14 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 1fkh s PHE 99 CO -0.07 -0.21 0.51 0.34 0.70 0.00 0.00 175.22 176.49 1fkh s ASP 100 N -0.15 6.32 -0.06 1.36 -1.08 -0.40 -0.44 116.67 122.20 1fkh s ASP 100 Ca -0.03 -0.00 0.03 0.00 -0.52 0.00 0.00 52.55 52.03 1fkh s ASP 100 Cb -0.13 -2.27 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1fkh s ASP 100 CO 0.03 -0.47 -0.16 -0.69 0.52 0.00 0.00 175.17 174.40 1fkh s VAL 101 N 2.38 1.42 -0.21 1.11 1.01 0.01 -1.06 120.40 125.07 1fkh s VAL 101 Ca 0.19 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1fkh s VAL 101 Cb -0.15 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1fkh s VAL 101 CO 0.13 0.42 -0.12 -0.70 0.00 0.00 0.00 175.10 174.83 1fkh s GLU 102 N 0.35 3.00 -0.62 2.72 2.12 0.47 -0.96 118.70 125.78 1fkh s GLU 102 Ca -0.11 -0.85 -0.25 0.00 0.36 0.00 0.00 54.97 54.12 1fkh s GLU 102 Cb -0.14 -2.81 0.04 0.00 0.26 0.00 0.00 34.13 31.48 1fkh s GLU 102 CO 0.04 -0.28 1.06 -1.17 -0.54 0.00 0.00 175.26 174.37 1fkh s LEU 103 N 1.34 3.87 -0.07 2.70 2.96 -0.56 -1.33 118.68 127.59 1fkh s LEU 103 Ca 0.03 -0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 53.28 1fkh s LEU 103 Cb -0.15 -2.75 -0.30 0.00 0.50 0.00 0.00 46.19 43.49 1fkh s LEU 103 CO -0.08 -1.44 0.84 -0.07 -1.32 0.00 0.00 176.35 174.29 1fkh h LEU 104 N 11.62 0.36 -7.04 -0.68 3.38 -1.30 0.15 115.31 121.79 1fkh h LEU 104 Ca -0.27 -0.96 0.05 0.00 0.09 0.00 0.00 57.88 56.80 1fkh h LEU 104 Cb 1.07 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 1fkh h LEU 104 CO 1.16 1.32 0.36 -0.75 0.09 0.00 0.00 178.44 180.62 1fkh s LYS 105 N -2.38 1.07 -0.08 1.13 2.20 -1.19 -4.48 119.74 116.01 1fkh s LYS 105 Ca -0.15 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 1fkh s LYS 105 Cb 0.00 0.48 0.01 0.00 -1.51 0.00 0.00 37.83 36.82 1fkh s LYS 105 CO 0.79 -0.47 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.66 1fkh s LEU 106 N -2.63 1.72 0.00 5.43 1.43 -1.26 -1.36 118.68 122.01 1fkh s LEU 106 Ca 0.03 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1fkh s LEU 106 Cb -0.01 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 45.26 1fkh s LEU 106 CO -0.10 0.04 0.64 -0.62 0.23 0.00 0.00 176.35 176.55