#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkl s VAL 2 N 0.00 1.06 -0.14 1.61 0.11 -1.26 -1.38 120.40 120.40 1fkl s VAL 2 Ca 0.00 -0.48 -0.03 0.00 -2.93 0.00 0.00 61.98 58.54 1fkl s VAL 2 Cb 0.00 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1fkl s VAL 2 CO 0.00 0.33 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.49 1fkl s GLN 3 N 0.40 3.55 -0.25 1.54 0.74 -0.63 -4.95 119.66 120.05 1fkl s GLN 3 Ca -0.09 -0.49 -0.05 0.00 0.05 0.00 0.00 55.36 54.79 1fkl s GLN 3 Cb -0.13 -2.90 0.00 0.00 1.10 0.00 0.00 33.01 31.08 1fkl s GLN 3 CO 0.02 0.34 -0.00 0.08 -0.55 0.00 0.00 175.29 175.18 1fkl s VAL 4 N 0.11 3.53 -0.16 1.34 1.01 -1.26 -1.61 120.40 123.37 1fkl s VAL 4 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1fkl s VAL 4 Cb -0.13 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1fkl s VAL 4 CO 0.02 0.28 -0.16 -1.61 0.00 0.00 0.00 175.10 173.64 1fkl s GLU 5 N 1.47 3.16 0.08 2.72 2.02 0.00 -4.98 118.70 123.18 1fkl s GLU 5 Ca 0.04 -0.77 -0.31 0.00 0.02 0.00 0.00 54.97 53.95 1fkl s GLU 5 Cb -0.16 -2.62 -0.07 0.00 0.10 0.00 0.00 34.13 31.38 1fkl s GLU 5 CO -0.01 -0.05 1.29 0.99 0.02 0.00 0.00 175.26 177.50 1fkl s THR 6 N 0.97 3.69 -0.21 3.63 2.01 -1.26 -0.56 115.64 123.91 1fkl s THR 6 Ca -0.03 1.21 -0.12 0.00 0.31 0.00 0.00 61.69 63.06 1fkl s THR 6 Cb -0.15 -3.77 -0.19 0.00 0.01 0.00 0.00 72.50 68.40 1fkl s THR 6 CO -0.03 0.09 0.04 -0.38 -0.69 0.00 0.00 174.62 173.65 1fkl n ILE 7 N 3.98 1.59 -3.80 1.82 5.41 0.90 -4.89 119.36 124.38 1fkl n ILE 7 Ca 0.10 -0.37 -0.14 0.00 1.00 0.00 0.00 62.75 63.34 1fkl n ILE 7 Cb 0.44 -1.82 -0.15 0.00 -0.71 0.00 0.00 39.64 37.41 1fkl n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1fkl s SER 8 N -7.00 0.01 0.49 4.38 0.01 -0.55 -4.96 113.70 106.08 1fkl s SER 8 Ca -0.31 0.08 -0.22 0.00 1.31 0.00 0.00 55.95 56.81 1fkl s SER 8 Cb 0.09 0.00 -0.06 0.00 0.21 0.00 0.00 66.02 66.26 1fkl s SER 8 CO 0.62 -0.09 1.20 -2.16 0.41 0.00 0.00 173.24 173.21 1fkl s PRO 9 N 0.75 3.55 0.00 12.44 0.04 -1.26 -0.95 135.00 149.57 1fkl s PRO 9 Ca -0.06 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1fkl s PRO 9 Cb -0.09 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1fkl s PRO 9 CO -0.02 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1fkl n GLY 10 N 0.46 0.52 0.00 0.56 0.00 -1.26 -4.18 105.19 101.30 1fkl n GLY 10 Ca 0.09 -1.84 0.14 0.00 0.00 0.00 0.00 46.02 44.40 1fkl n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fkl n ASP 11 N -0.56 0.00 -0.78 1.61 5.75 -0.43 -4.81 116.55 117.33 1fkl n ASP 11 Ca 0.00 0.22 -0.10 0.00 -0.01 0.00 0.00 54.79 54.90 1fkl n ASP 11 Cb 0.00 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 39.64 1fkl n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkl n GLY 12 N 1.35 1.15 0.77 6.12 0.00 -1.26 -4.77 105.19 108.55 1fkl n GLY 12 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1fkl n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkl n ARG 13 N -2.59 0.00 -3.26 1.61 1.74 -1.26 -5.02 116.66 107.88 1fkl n ARG 13 Ca -0.10 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.53 1fkl n ARG 13 Cb 0.35 -0.35 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 1fkl n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fkl s THR 14 N -1.47 5.09 -0.01 0.55 2.01 -1.26 -5.04 115.64 115.50 1fkl s THR 14 Ca 0.00 -1.21 0.03 0.00 0.31 0.00 0.00 61.69 60.81 1fkl s THR 14 Cb 0.00 -4.34 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1fkl s THR 14 CO 0.00 -0.88 -0.08 -0.36 -0.69 0.00 0.00 174.62 172.62 1fkl s PHE 15 N 1.97 2.88 0.68 4.92 0.40 -1.26 -1.22 117.98 126.34 1fkl s PHE 15 Ca 0.06 -0.04 -0.17 0.00 -0.60 0.00 0.00 56.93 56.18 1fkl s PHE 15 Cb -0.27 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.64 1fkl s PHE 15 CO 0.05 0.35 1.27 -1.25 0.70 0.00 0.00 175.22 176.35 1fkl s PRO 16 N -1.24 2.37 0.18 0.24 0.04 -1.26 -5.04 135.00 130.28 1fkl s PRO 16 Ca 0.16 2.00 0.09 0.00 0.04 0.00 0.00 61.00 63.28 1fkl s PRO 16 Cb -0.11 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1fkl s PRO 16 CO 0.06 -1.72 -0.10 0.15 0.04 0.00 0.00 177.00 175.42 1fkl s LYS 17 N -3.53 2.03 0.27 4.56 -0.14 -1.26 -4.97 119.74 116.69 1fkl s LYS 17 Ca 0.81 -1.27 -0.30 0.00 -1.36 0.00 0.00 55.97 53.85 1fkl s LYS 17 Cb -0.36 -2.15 -0.11 0.00 -1.68 0.00 0.00 37.83 33.54 1fkl s LYS 17 CO 0.42 0.44 1.52 1.03 -0.76 0.00 0.00 175.35 177.99 1fkl s ARG 18 N -2.78 4.20 0.00 1.68 0.52 -1.26 -1.33 118.95 119.98 1fkl s ARG 18 Ca 0.24 2.43 0.00 0.00 -0.52 0.00 0.00 55.73 57.89 1fkl s ARG 18 Cb -0.09 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.31 1fkl s ARG 18 CO 0.15 -0.53 0.00 0.41 0.02 0.00 0.00 175.30 175.35 1fkl n GLY 19 N 2.26 3.27 3.82 -3.53 0.00 0.39 -5.00 105.19 106.41 1fkl n GLY 19 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1fkl n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fkl s GLN 20 N -0.74 3.62 -0.16 1.61 -0.21 -0.44 -4.73 119.66 118.61 1fkl s GLN 20 Ca 0.00 1.11 -0.18 0.00 0.02 0.00 0.00 55.36 56.31 1fkl s GLN 20 Cb 0.00 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 1fkl s GLN 20 CO 0.00 -0.55 0.48 0.99 -2.12 0.00 0.00 175.29 174.09 1fkl s THR 21 N -2.50 5.16 -0.18 -0.19 2.01 -0.79 -1.35 115.64 117.80 1fkl s THR 21 Ca 0.62 0.91 -0.10 0.00 0.31 0.00 0.00 61.69 63.43 1fkl s THR 21 Cb -0.13 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1fkl s THR 21 CO 0.33 0.25 0.15 0.00 -0.69 0.00 0.00 174.62 174.66 1fkl s VAL 23 N 0.16 3.59 0.12 0.00 1.01 -0.40 -2.29 120.40 122.59 1fkl s VAL 23 Ca 0.10 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1fkl s VAL 23 Cb -0.11 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1fkl s VAL 23 CO -0.01 0.32 -0.04 0.68 0.00 0.00 0.00 175.10 176.05 1fkl s VAL 24 N 1.49 0.63 0.03 2.92 -7.23 -0.24 -0.21 120.40 117.80 1fkl s VAL 24 Ca 0.05 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1fkl s VAL 24 Cb -0.15 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1fkl s VAL 24 CO -0.01 -0.75 -0.15 -1.00 -0.31 0.00 0.00 175.10 172.87 1fkl s HIS 25 N -3.67 2.64 0.05 2.82 3.76 -0.76 -0.75 115.29 119.39 1fkl s HIS 25 Ca 0.15 -0.20 -0.10 0.00 -0.15 0.00 0.00 55.06 54.76 1fkl s HIS 25 Cb 0.06 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.26 1fkl s HIS 25 CO -0.02 0.29 0.21 1.52 -0.85 0.00 0.00 174.74 175.88 1fkl s TYR 26 N -0.95 0.06 -0.03 1.40 -0.85 -1.26 -0.76 117.35 114.97 1fkl s TYR 26 Ca 0.15 -0.33 0.02 0.00 -0.52 0.00 0.00 57.07 56.39 1fkl s TYR 26 Cb -0.11 -0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.22 1fkl s TYR 26 CO 0.06 -0.47 -0.09 0.99 -1.52 0.00 0.00 175.55 174.52 1fkl s THR 27 N -2.93 0.78 0.01 -3.49 2.01 -0.79 -0.83 115.64 110.40 1fkl s THR 27 Ca -0.02 -0.34 0.07 0.00 0.31 0.00 0.00 61.69 61.70 1fkl s THR 27 Cb 0.01 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1fkl s THR 27 CO -0.06 0.25 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.09 1fkl s GLY 28 N 0.31 1.47 0.07 4.40 0.00 0.06 -0.89 107.32 112.74 1fkl s GLY 28 Ca -0.05 -1.14 -0.08 0.00 0.00 0.00 0.00 44.72 43.44 1fkl s GLY 28 CO 0.01 -0.99 0.17 -3.16 0.00 0.00 0.00 173.10 169.13 1fkl s MET 29 N -1.06 0.78 0.23 2.90 0.23 0.27 -1.74 119.30 120.90 1fkl s MET 29 Ca 0.12 -0.88 -0.30 0.00 -1.03 0.00 0.00 55.69 53.60 1fkl s MET 29 Cb -0.10 0.32 -0.09 0.00 -1.53 0.00 0.00 34.83 33.43 1fkl s MET 29 CO 0.02 -0.24 0.99 -0.51 -2.03 0.00 0.00 175.02 173.26 1fkl s LEU 30 N -2.63 4.59 0.04 0.18 1.43 -0.51 -0.91 118.68 120.87 1fkl s LEU 30 Ca 0.02 2.02 -0.34 0.00 -1.03 0.00 0.00 54.13 54.80 1fkl s LEU 30 Cb 0.03 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.52 1fkl s LEU 30 CO -0.09 0.03 1.75 1.21 0.23 0.00 0.00 176.35 179.48 1fkl n GLU 31 N 1.66 2.23 -2.52 1.70 2.13 -0.76 0.36 120.64 125.44 1fkl n GLU 31 Ca -0.01 0.81 -0.20 0.00 0.66 0.00 0.00 57.16 58.43 1fkl n GLU 31 Cb 0.47 -2.63 -0.00 0.00 0.27 0.00 0.00 31.44 29.54 1fkl n GLU 31 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1fkl n ASP 32 N 5.17 -5.56 0.00 4.31 8.00 -1.26 -4.91 116.55 122.30 1fkl n ASP 32 Ca 0.20 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1fkl n ASP 32 Cb 0.30 -4.62 0.00 0.00 -0.02 0.00 0.00 41.12 36.78 1fkl n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fkl n GLY 33 N -1.06 5.46 3.80 0.44 0.00 0.16 -5.14 105.19 108.85 1fkl n GLY 33 Ca -0.21 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 1fkl n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fkl s LYS 34 N 1.11 4.06 0.05 1.61 -2.85 -1.26 -4.51 119.74 117.95 1fkl s LYS 34 Ca 0.00 1.29 -0.30 0.00 -1.00 0.00 0.00 55.97 55.96 1fkl s LYS 34 Cb 0.00 -2.23 -0.05 0.00 -2.06 0.00 0.00 37.83 33.49 1fkl s LYS 34 CO 0.00 -0.20 1.03 0.21 0.10 0.00 0.00 175.35 176.49 1fkl s LYS 35 N -3.04 4.57 -0.01 1.78 2.20 -1.26 -1.43 119.74 122.56 1fkl s LYS 35 Ca 0.63 1.52 0.07 0.00 -0.36 0.00 0.00 55.97 57.83 1fkl s LYS 35 Cb -0.15 -3.40 -0.11 0.00 -1.51 0.00 0.00 37.83 32.66 1fkl s LYS 35 CO 0.19 -0.01 0.16 1.97 -0.36 0.00 0.00 175.35 177.29 1fkl n PHE 36 N 3.50 0.00 -3.48 4.03 1.16 -0.71 -4.97 117.46 116.98 1fkl n PHE 36 Ca 0.05 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.48 1fkl n PHE 36 Cb 0.49 -0.17 -0.05 0.00 -1.61 0.00 0.00 39.48 38.15 1fkl n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fkl s ASP 37 N -2.85 -0.62 -0.21 5.98 2.15 -1.20 -5.01 116.67 114.90 1fkl s ASP 37 Ca -0.03 0.46 -0.10 0.00 0.43 0.00 0.00 52.55 53.31 1fkl s ASP 37 Cb 0.05 0.56 0.08 0.00 -0.30 0.00 0.00 42.92 43.30 1fkl s ASP 37 CO 0.30 -0.74 0.50 -0.55 -0.17 0.00 0.00 175.17 174.51 1fkl s SER 38 N -1.75 -0.62 0.19 -0.34 0.15 -1.26 -0.76 113.70 109.31 1fkl s SER 38 Ca -0.07 1.12 0.26 0.00 0.70 0.00 0.00 55.95 57.97 1fkl s SER 38 Cb -0.00 1.17 0.87 0.00 -1.71 0.00 0.00 66.02 66.35 1fkl s SER 38 CO 0.02 -0.21 1.78 -1.54 1.20 0.00 0.00 173.24 174.48 1fkl n SER 39 N 4.62 0.71 -0.09 5.45 3.41 -0.01 -3.30 113.62 124.41 1fkl n SER 39 Ca -0.18 0.58 -0.08 0.00 -0.26 0.00 0.00 58.87 58.92 1fkl n SER 39 Cb 0.54 -0.76 0.08 0.00 -0.26 0.00 0.00 64.21 63.81 1fkl n SER 39 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1fkl h ARG 40 N 0.00 0.79 -0.14 4.33 3.08 -1.85 -2.07 114.38 118.52 1fkl h ARG 40 Ca 0.00 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.77 1fkl h ARG 40 Cb 0.67 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1fkl h ARG 40 CO 0.00 0.94 0.12 -0.44 -1.07 0.00 0.00 179.97 179.53 1fkl h ASP 41 N 0.69 0.00 0.05 7.04 3.32 -1.91 0.43 116.42 126.03 1fkl h ASP 41 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1fkl h ASP 41 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1fkl h ASP 41 CO 0.06 0.00 -0.49 0.54 -1.72 0.00 0.00 179.24 177.63 1fkl n ARG 42 N -4.17 0.98 -3.51 3.56 1.74 -0.84 -4.96 116.66 109.46 1fkl n ARG 42 Ca 0.01 -0.77 -0.12 0.00 -0.77 0.00 0.00 57.85 56.20 1fkl n ARG 42 Cb 0.24 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 1fkl n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1fkl n ASN 43 N -0.34 -0.59 -3.82 0.55 2.85 0.14 -4.96 115.26 109.09 1fkl n ASN 43 Ca 0.09 -0.37 -0.27 0.00 -0.11 0.00 0.00 54.58 53.92 1fkl n ASN 43 Cb 0.43 -0.45 -0.17 0.00 1.24 0.00 0.00 39.78 40.83 1fkl n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1fkl s LYS 44 N -5.14 1.03 0.63 1.20 2.20 -1.16 -5.06 119.74 113.44 1fkl s LYS 44 Ca 0.09 -0.34 -0.18 0.00 -0.36 0.00 0.00 55.97 55.17 1fkl s LYS 44 Cb -0.05 -1.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.46 1fkl s LYS 44 CO 0.28 -0.46 1.25 -2.14 -0.36 0.00 0.00 175.35 173.92 1fkl s PRO 45 N 1.77 2.74 -0.02 4.03 0.02 -1.26 -4.72 135.00 137.55 1fkl s PRO 45 Ca 0.01 1.93 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 1fkl s PRO 45 Cb -0.15 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 1fkl s PRO 45 CO -0.07 -1.42 0.32 0.12 -0.33 0.00 0.00 177.00 175.62 1fkl s PHE 46 N -1.53 3.66 0.01 6.54 5.36 0.07 -4.90 117.98 127.20 1fkl s PHE 46 Ca 0.80 0.80 0.06 0.00 -0.96 0.00 0.00 56.93 57.62 1fkl s PHE 46 Cb -0.34 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.18 1fkl s PHE 46 CO 0.37 0.65 -0.17 0.15 -1.46 0.00 0.00 175.22 174.75 1fkl s LYS 47 N -1.25 1.30 0.07 10.12 1.02 -1.26 -1.08 119.74 128.65 1fkl s LYS 47 Ca 0.23 -0.72 -0.16 0.00 0.02 0.00 0.00 55.97 55.35 1fkl s LYS 47 Cb -0.15 -1.31 0.03 0.00 -0.52 0.00 0.00 37.83 35.89 1fkl s LYS 47 CO 0.12 0.35 0.36 -0.59 -0.92 0.00 0.00 175.35 174.66 1fkl s PHE 48 N -0.58 -0.17 -0.23 3.18 -0.71 -0.97 -4.98 117.98 113.52 1fkl s PHE 48 Ca 0.06 0.01 -0.14 0.00 -1.04 0.00 0.00 56.93 55.81 1fkl s PHE 48 Cb -0.07 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 1fkl s PHE 48 CO 0.00 -0.58 0.34 0.08 -1.34 0.00 0.00 175.22 173.73 1fkl s VAL 49 N -2.90 5.22 0.23 -2.49 1.01 -1.26 -1.20 120.40 119.01 1fkl s VAL 49 Ca -0.03 0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 1fkl s VAL 49 Cb 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 1fkl s VAL 49 CO -0.05 0.24 1.26 -0.22 0.00 0.00 0.00 175.10 176.33 1fkl s LEU 50 N 1.49 4.44 0.00 3.92 2.96 -0.46 -3.43 118.68 127.60 1fkl s LEU 50 Ca 0.15 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 1fkl s LEU 50 Cb -0.15 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1fkl s LEU 50 CO 0.08 -0.45 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 1fkl n GLY 51 N 1.91 0.68 1.08 7.98 0.00 -1.26 -0.47 105.19 115.11 1fkl n GLY 51 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1fkl n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fkl n LYS 52 N -2.00 3.01 -3.58 1.61 4.01 -1.22 -4.94 118.16 115.06 1fkl n LYS 52 Ca 0.00 -2.48 -0.27 0.00 -0.51 0.00 0.00 58.31 55.05 1fkl n LYS 52 Cb 0.00 -1.54 0.02 0.00 -0.51 0.00 0.00 35.03 33.00 1fkl n LYS 52 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1fkl n GLN 53 N 0.91 -5.04 0.08 1.97 6.02 -1.26 -4.87 117.38 115.18 1fkl n GLN 53 Ca 0.19 0.64 -0.02 0.00 -0.01 0.00 0.00 57.00 57.81 1fkl n GLN 53 Cb 0.62 -5.50 -0.06 0.00 1.02 0.00 0.00 30.24 26.33 1fkl n GLN 53 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1fkl h GLU 54 N -1.71 0.00 -5.77 -1.09 5.08 -1.94 -3.47 114.58 105.69 1fkl h GLU 54 Ca -0.53 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.24 1fkl h GLU 54 Cb 1.35 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.47 1fkl h GLU 54 CO 0.61 0.61 -0.66 0.14 -1.00 0.00 0.00 179.01 178.71 1fkl s VAL 55 N -2.84 2.03 0.78 3.13 -7.23 -1.26 -5.12 120.40 109.88 1fkl s VAL 55 Ca 0.01 -2.14 -0.14 0.00 -1.81 0.00 0.00 61.98 57.89 1fkl s VAL 55 Cb 0.09 -2.68 0.06 0.00 0.56 0.00 0.00 36.38 34.41 1fkl s VAL 55 CO 0.79 -0.18 1.17 2.30 -0.31 0.00 0.00 175.10 178.87 1fkl n ILE 56 N -0.78 2.55 -0.34 -0.62 -5.35 -1.26 -4.75 119.36 108.81 1fkl n ILE 56 Ca -0.05 -0.27 0.04 0.00 -0.27 0.00 0.00 62.75 62.20 1fkl n ILE 56 Cb 0.64 -1.22 0.19 0.00 -1.74 0.00 0.00 39.64 37.51 1fkl n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fkl h ARG 57 N -0.62 0.98 -0.28 6.28 2.43 -1.85 -1.16 114.38 120.17 1fkl h ARG 57 Ca -0.47 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 58.68 1fkl h ARG 57 Cb 1.31 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1fkl h ARG 57 CO 0.47 0.65 0.19 0.78 -1.51 0.00 0.00 179.97 180.55 1fkl h GLY 58 N 1.01 0.24 0.84 2.80 0.00 -1.52 -0.21 103.07 106.24 1fkl h GLY 58 Ca 0.44 -0.08 -0.19 0.00 0.00 0.00 0.00 47.33 47.50 1fkl h GLY 58 CO -0.22 0.07 -0.75 1.49 0.00 0.00 0.00 176.54 177.13 1fkl h TRP 59 N 0.21 0.67 -0.59 5.60 4.06 -1.51 0.18 115.95 124.57 1fkl h TRP 59 Ca 0.12 -0.40 0.10 0.00 2.06 0.00 0.00 58.89 60.77 1fkl h TRP 59 Cb 0.22 -0.06 -0.08 0.00 -1.00 0.00 0.00 29.16 28.24 1fkl h TRP 59 CO -0.00 1.24 0.18 0.93 -3.56 0.00 0.00 178.44 177.23 1fkl h GLU 60 N -0.09 0.33 0.00 0.49 4.39 -0.84 -0.78 114.58 118.08 1fkl h GLU 60 Ca -0.11 -0.02 -0.22 0.00 0.34 0.00 0.00 59.36 59.36 1fkl h GLU 60 Cb 1.48 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.02 1fkl h GLU 60 CO 0.15 0.22 -1.34 0.93 -1.16 0.00 0.00 179.01 177.80 1fkl h GLU 61 N 0.34 0.00 0.05 2.33 5.08 -1.14 -3.17 114.58 118.06 1fkl h GLU 61 Ca 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1fkl h GLU 61 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1fkl h GLU 61 CO -0.34 0.53 -0.02 0.78 -1.00 0.00 0.00 179.01 178.96 1fkl h GLY 62 N 3.47 -0.06 2.00 -3.84 0.00 -0.76 -3.31 103.07 100.57 1fkl h GLY 62 Ca -0.16 0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1fkl h GLY 62 CO 0.08 -0.02 -0.46 -2.08 0.00 0.00 0.00 176.54 174.05 1fkl h VAL 63 N -0.75 1.33 0.00 4.60 2.07 -1.32 -2.53 116.25 119.65 1fkl h VAL 63 Ca -0.01 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 1fkl h VAL 63 Cb 0.64 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1fkl h VAL 63 CO 0.01 0.45 -0.01 0.00 0.02 0.00 0.00 177.57 178.04 1fkl h ALA 64 N 1.54 1.33 -0.66 1.67 0.00 -1.63 -1.03 119.26 120.47 1fkl h ALA 64 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fkl h ALA 64 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1fkl h ALA 64 CO 0.06 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1fkl n GLN 65 N -3.58 3.74 -3.99 0.00 10.64 -0.95 -4.54 117.38 118.70 1fkl n GLN 65 Ca -0.03 -2.88 -0.32 0.00 -1.83 0.00 0.00 57.00 51.93 1fkl n GLN 65 Cb 0.09 -1.90 -0.06 0.00 -0.86 0.00 0.00 30.24 27.51 1fkl n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1fkl s MET 66 N -1.84 3.23 0.28 2.61 -1.94 -0.39 -5.11 119.30 116.15 1fkl s MET 66 Ca 0.52 -0.44 0.07 0.00 -1.71 0.00 0.00 55.69 54.12 1fkl s MET 66 Cb 0.33 -2.96 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 1fkl s MET 66 CO 0.25 0.64 0.29 -1.54 -0.01 0.00 0.00 175.02 174.65 1fkl s SER 67 N -2.00 5.67 0.26 3.03 1.04 -1.26 -4.25 113.70 116.18 1fkl s SER 67 Ca 0.27 -0.25 -0.31 0.00 0.48 0.00 0.00 55.95 56.15 1fkl s SER 67 Cb -0.12 -1.36 -0.11 0.00 0.10 0.00 0.00 66.02 64.53 1fkl s SER 67 CO 0.19 -0.17 1.63 -0.69 0.98 0.00 0.00 173.24 175.17 1fkl s VAL 68 N -2.15 2.12 0.00 5.02 1.01 -0.36 -1.24 120.40 124.80 1fkl s VAL 68 Ca 0.37 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1fkl s VAL 68 Cb -0.08 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1fkl s VAL 68 CO 0.27 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1fkl n GLY 69 N 2.85 2.15 3.77 4.51 0.00 0.22 -1.32 105.19 117.37 1fkl n GLY 69 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1fkl n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fkl s GLN 70 N -0.82 4.36 -0.09 1.61 0.74 -0.37 -4.37 119.66 120.72 1fkl s GLN 70 Ca 0.00 1.76 0.04 0.00 0.05 0.00 0.00 55.36 57.21 1fkl s GLN 70 Cb 0.00 -2.89 -0.00 0.00 1.10 0.00 0.00 33.01 31.21 1fkl s GLN 70 CO 0.00 -0.03 -0.24 0.50 -0.55 0.00 0.00 175.29 174.98 1fkl s ARG 71 N -1.94 2.91 0.02 1.67 3.52 -0.13 -1.56 118.95 123.44 1fkl s ARG 71 Ca 0.51 -0.88 -0.09 0.00 -0.13 0.00 0.00 55.73 55.14 1fkl s ARG 71 Cb -0.29 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.83 1fkl s ARG 71 CO 0.38 0.25 0.19 0.00 -0.81 0.00 0.00 175.30 175.31 1fkl s ALA 72 N 0.18 -0.40 -0.24 6.12 0.00 -0.20 -0.07 121.76 127.14 1fkl s ALA 72 Ca -0.14 -0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.50 1fkl s ALA 72 Cb -0.17 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1fkl s ALA 72 CO 0.07 -0.30 0.48 0.21 0.00 0.00 0.00 175.76 176.22 1fkl s LYS 73 N -2.03 4.10 -0.22 0.00 2.20 0.28 -0.82 119.74 123.24 1fkl s LYS 73 Ca -0.09 0.28 -0.05 0.00 -0.36 0.00 0.00 55.97 55.74 1fkl s LYS 73 Cb -0.04 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1fkl s LYS 73 CO -0.01 -0.26 0.01 -0.51 -0.36 0.00 0.00 175.35 174.22 1fkl s LEU 74 N 2.01 3.18 -0.23 5.43 1.43 0.62 -0.82 118.68 130.31 1fkl s LEU 74 Ca 0.20 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1fkl s LEU 74 Cb -0.15 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1fkl s LEU 74 CO 0.09 0.00 0.06 -0.89 0.23 0.00 0.00 176.35 175.84 1fkl s THR 75 N 1.38 4.40 -0.14 5.49 2.01 -0.63 -1.33 115.64 126.82 1fkl s THR 75 Ca 0.05 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.92 1fkl s THR 75 Cb -0.15 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.35 1fkl s THR 75 CO 0.01 0.38 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.48 1fkl s ILE 76 N 1.21 1.93 0.69 1.82 1.01 0.33 -1.61 121.20 126.58 1fkl s ILE 76 Ca 0.04 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 1fkl s ILE 76 Cb -0.14 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.61 1fkl s ILE 76 CO 0.03 0.52 1.07 -0.94 0.00 0.00 0.00 174.94 175.62 1fkl s SER 77 N 0.92 5.29 0.32 3.58 1.04 -0.48 -1.62 113.70 122.76 1fkl s SER 77 Ca -0.05 1.72 0.06 0.00 0.48 0.00 0.00 55.95 58.15 1fkl s SER 77 Cb -0.15 -2.51 0.71 0.00 0.10 0.00 0.00 66.02 64.17 1fkl s SER 77 CO -0.03 -1.50 1.85 -0.65 0.98 0.00 0.00 173.24 173.88 1fkl h PRO 78 N -0.51 0.79 0.00 4.02 0.11 -1.89 0.53 132.00 135.05 1fkl h PRO 78 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1fkl h PRO 78 Cb 1.22 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1fkl h PRO 78 CO 0.56 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.47 1fkl n ASP 79 N -4.60 0.26 -1.01 -2.05 5.75 -1.26 -0.53 116.55 113.09 1fkl n ASP 79 Ca 0.19 0.56 0.09 0.00 -0.01 0.00 0.00 54.79 55.62 1fkl n ASP 79 Cb 0.44 -0.62 0.22 0.00 -1.03 0.00 0.00 41.12 40.14 1fkl n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1fkl n TYR 80 N -1.78 0.63 0.00 2.11 4.02 0.17 -4.88 117.16 117.43 1fkl n TYR 80 Ca 0.03 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 1fkl n TYR 80 Cb 0.21 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 1fkl n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkl n ALA 81 N 1.18 0.00 0.35 -0.72 0.00 -0.57 -1.23 120.51 119.53 1fkl n ALA 81 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.69 1fkl n ALA 81 Cb 0.53 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.08 1fkl n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fkl n TYR 82 N 0.00 0.18 -4.99 0.00 4.01 -1.13 -4.79 117.16 110.44 1fkl n TYR 82 Ca 0.00 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1fkl n TYR 82 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1fkl n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fkl n GLY 83 N 0.82 2.05 0.24 2.72 0.00 0.30 -1.64 105.19 109.69 1fkl n GLY 83 Ca 0.11 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1fkl n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fkl h ALA 84 N -1.00 0.99 0.00 4.61 0.00 -1.94 -1.14 119.26 120.77 1fkl h ALA 84 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1fkl h ALA 84 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1fkl h ALA 84 CO 0.00 0.04 -1.36 1.79 0.00 0.00 0.00 179.25 179.71 1fkl h THR 85 N 0.00 1.03 -0.50 0.00 1.35 -1.91 -3.40 112.91 109.47 1fkl h THR 85 Ca -0.00 -2.74 0.01 0.00 -0.55 0.00 0.00 66.41 63.13 1fkl h THR 85 Cb 0.81 2.47 -0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1fkl h THR 85 CO 0.00 0.58 -0.01 0.61 -0.25 0.00 0.00 175.52 176.45 1fkl n GLY 86 N 1.44 -1.87 3.19 5.82 0.00 -0.65 -4.40 105.19 108.72 1fkl n GLY 86 Ca -0.09 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1fkl n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fkl s HIS 87 N -0.15 3.14 -0.38 1.61 2.46 0.23 -4.89 115.29 117.31 1fkl s HIS 87 Ca 0.00 -1.66 -0.35 0.00 0.47 0.00 0.00 55.06 53.53 1fkl s HIS 87 Cb 0.00 -2.08 -0.15 0.00 -0.13 0.00 0.00 32.58 30.22 1fkl s HIS 87 CO 0.00 -0.75 1.46 -2.30 -2.47 0.00 0.00 174.74 170.67 1fkl n PRO 88 N 4.66 0.00 -0.14 2.88 -0.02 -1.26 -1.05 135.00 140.06 1fkl n PRO 88 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1fkl n PRO 88 Cb 0.46 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 1fkl n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fkl n GLY 89 N 4.53 2.33 1.24 -1.23 0.00 -1.26 -4.73 105.19 106.07 1fkl n GLY 89 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1fkl n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fkl n ILE 90 N -2.00 0.27 -4.30 -0.61 5.41 -0.27 -5.06 119.36 112.80 1fkl n ILE 90 Ca 0.00 0.09 -0.34 0.00 1.00 0.00 0.00 62.75 63.50 1fkl n ILE 90 Cb 0.00 -1.29 -0.15 0.00 -0.71 0.00 0.00 39.64 37.49 1fkl n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1fkl s ILE 91 N -2.00 2.99 0.86 1.39 1.01 -0.22 -4.96 121.20 120.28 1fkl s ILE 91 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 1fkl s ILE 91 Cb 0.00 -2.30 0.11 0.00 0.01 0.00 0.00 42.46 40.27 1fkl s ILE 91 CO 0.00 0.49 1.10 -2.16 0.00 0.00 0.00 174.94 174.36 1fkl s PRO 92 N 0.99 1.58 0.46 2.79 0.04 -1.26 -0.60 135.00 139.00 1fkl s PRO 92 Ca -0.01 0.70 -0.23 0.00 0.04 0.00 0.00 61.00 61.50 1fkl s PRO 92 Cb -0.15 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1fkl s PRO 92 CO -0.01 -1.99 0.85 -2.30 0.04 0.00 0.00 177.00 173.59 1fkl n PRO 93 N -3.69 1.03 -3.91 0.56 -0.02 -1.26 -3.50 135.00 124.21 1fkl n PRO 93 Ca 0.07 0.37 -0.28 0.00 -2.02 0.00 0.00 63.50 61.64 1fkl n PRO 93 Cb 0.56 -1.90 0.01 0.00 -0.02 0.00 0.00 33.50 32.15 1fkl n PRO 93 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1fkl n ASN 94 N 0.52 -2.98 -4.76 2.55 5.15 -0.43 -4.95 115.26 110.35 1fkl n ASN 94 Ca 0.11 -0.86 -0.37 0.00 -0.60 0.00 0.00 54.58 52.86 1fkl n ASN 94 Cb 0.41 -3.64 -0.07 0.00 -0.53 0.00 0.00 39.78 35.95 1fkl n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fkl s ALA 95 N -3.50 3.62 -0.04 5.20 0.00 -1.23 -4.87 121.76 120.95 1fkl s ALA 95 Ca 0.41 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.73 1fkl s ALA 95 Cb -0.21 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1fkl s ALA 95 CO 0.85 0.20 0.70 0.99 0.00 0.00 0.00 175.76 178.50 1fkl s THR 96 N 0.07 4.97 0.03 0.00 2.01 -1.26 -3.61 115.64 117.85 1fkl s THR 96 Ca 0.19 1.45 0.03 0.00 0.31 0.00 0.00 61.69 63.67 1fkl s THR 96 Cb -0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1fkl s THR 96 CO 0.06 0.29 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.50 1fkl s LEU 97 N 0.52 3.36 -0.11 4.42 1.43 -0.64 -1.83 118.68 125.83 1fkl s LEU 97 Ca 0.37 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1fkl s LEU 97 Cb -0.18 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1fkl s LEU 97 CO 0.19 0.24 -0.21 -0.63 0.23 0.00 0.00 176.35 176.17 1fkl s ILE 98 N -1.13 1.88 -0.01 -0.59 -1.09 -0.08 -0.51 121.20 119.65 1fkl s ILE 98 Ca 0.21 -0.89 0.05 0.00 -2.23 0.00 0.00 60.65 57.79 1fkl s ILE 98 Cb -0.11 -1.65 -0.01 0.00 -1.58 0.00 0.00 42.46 39.10 1fkl s ILE 98 CO 0.12 0.52 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.81 1fkl s PHE 99 N 0.60 1.57 -0.35 3.97 0.40 -0.44 -0.56 117.98 123.17 1fkl s PHE 99 Ca -0.13 -0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 55.78 1fkl s PHE 99 Cb -0.17 -1.01 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 1fkl s PHE 99 CO 0.04 -0.03 0.23 0.34 0.70 0.00 0.00 175.22 176.50 1fkl s ASP 100 N -0.41 5.93 -0.06 1.36 -1.08 -0.07 -0.28 116.67 122.08 1fkl s ASP 100 Ca 0.07 -0.55 0.04 0.00 -0.52 0.00 0.00 52.55 51.59 1fkl s ASP 100 Cb -0.07 -2.10 -0.00 0.00 -1.46 0.00 0.00 42.92 39.29 1fkl s ASP 100 CO -0.01 -0.26 -0.17 -0.69 0.52 0.00 0.00 175.17 174.55 1fkl s VAL 101 N 1.68 1.48 -0.17 1.11 1.01 -0.00 -1.88 120.40 123.63 1fkl s VAL 101 Ca 0.05 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1fkl s VAL 101 Cb -0.18 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1fkl s VAL 101 CO 0.09 0.43 -0.19 -0.70 0.00 0.00 0.00 175.10 174.73 1fkl s GLU 102 N 0.19 2.89 -0.51 2.72 2.12 0.06 -1.03 118.70 125.14 1fkl s GLU 102 Ca -0.08 -0.79 -0.21 0.00 0.36 0.00 0.00 54.97 54.25 1fkl s GLU 102 Cb -0.13 -2.48 0.05 0.00 0.26 0.00 0.00 34.13 31.82 1fkl s GLU 102 CO 0.03 -0.18 0.73 -1.17 -0.54 0.00 0.00 175.26 174.13 1fkl s LEU 103 N 1.25 4.59 -0.01 2.70 2.96 -0.60 -1.83 118.68 127.74 1fkl s LEU 103 Ca 0.03 -0.61 -0.20 0.00 -0.22 0.00 0.00 54.13 53.13 1fkl s LEU 103 Cb -0.13 -2.63 -0.29 0.00 0.50 0.00 0.00 46.19 43.64 1fkl s LEU 103 CO -0.11 -0.98 1.00 -0.07 -1.32 0.00 0.00 176.35 174.87 1fkl h LEU 104 N 10.11 0.57 -7.23 -0.68 3.38 -0.91 0.64 115.31 121.18 1fkl h LEU 104 Ca -0.27 -0.87 0.29 0.00 0.09 0.00 0.00 57.88 57.13 1fkl h LEU 104 Cb 1.09 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 1fkl h LEU 104 CO 0.99 1.38 0.78 -1.59 0.09 0.00 0.00 178.44 180.09 1fkl s LYS 105 N -2.79 0.48 0.09 1.13 -2.85 -1.15 -4.58 119.74 110.09 1fkl s LYS 105 Ca -0.13 -0.26 0.06 0.00 -1.00 0.00 0.00 55.97 54.65 1fkl s LYS 105 Cb 0.03 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 1fkl s LYS 105 CO 0.85 -0.22 -0.06 -0.51 0.10 0.00 0.00 175.35 175.50 1fkl s LEU 106 N -2.84 3.20 0.00 2.77 1.43 -1.26 -1.28 118.68 120.70 1fkl s LEU 106 Ca 0.13 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1fkl s LEU 106 Cb 0.03 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1fkl s LEU 106 CO -0.03 0.18 0.08 -0.62 0.23 0.00 0.00 176.35 176.19