#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fki s VAL 2 N 0.00 1.53 -0.13 1.61 0.11 -1.26 -2.02 120.40 120.24 1fki s VAL 2 Ca 0.00 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1fki s VAL 2 Cb 0.00 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 1fki s VAL 2 CO 0.00 0.44 -0.06 -1.58 -3.33 0.00 0.00 175.10 170.57 1fki s GLN 3 N 0.26 3.38 -0.13 1.54 0.74 0.11 -4.94 119.66 120.62 1fki s GLN 3 Ca -0.10 -0.54 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 1fki s GLN 3 Cb -0.14 -2.79 -0.03 0.00 1.10 0.00 0.00 33.01 31.14 1fki s GLN 3 CO 0.04 0.36 -0.03 0.08 -0.55 0.00 0.00 175.29 175.19 1fki s VAL 4 N 0.02 4.00 -0.14 1.34 1.01 -1.26 -1.41 120.40 123.95 1fki s VAL 4 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1fki s VAL 4 Cb -0.13 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.58 1fki s VAL 4 CO 0.03 0.53 0.04 -0.70 0.00 0.00 0.00 175.10 175.01 1fki s GLU 5 N -0.12 0.43 0.16 2.72 2.12 0.48 -4.94 118.70 119.55 1fki s GLU 5 Ca 0.03 -0.12 -0.31 0.00 0.36 0.00 0.00 54.97 54.92 1fki s GLU 5 Cb -0.13 -1.59 -0.11 0.00 0.26 0.00 0.00 34.13 32.56 1fki s GLU 5 CO 0.02 -0.53 1.74 0.99 -0.54 0.00 0.00 175.26 176.95 1fki s THR 6 N 1.98 2.35 -0.19 -1.70 2.01 -1.26 -0.41 115.64 118.42 1fki s THR 6 Ca 0.02 0.11 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 1fki s THR 6 Cb -0.15 -3.07 -0.08 0.00 0.01 0.00 0.00 72.50 69.21 1fki s THR 6 CO -0.07 0.00 -0.27 -0.38 -0.69 0.00 0.00 174.62 173.22 1fki n ILE 7 N 4.32 1.49 -4.81 1.82 5.41 0.48 -4.90 119.36 123.17 1fki n ILE 7 Ca 0.16 0.04 -0.25 0.00 1.00 0.00 0.00 62.75 63.70 1fki n ILE 7 Cb 0.37 -2.24 -0.16 0.00 -0.71 0.00 0.00 39.64 36.90 1fki n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1fki s SER 8 N -6.26 2.08 0.56 4.38 0.01 -0.57 -4.95 113.70 108.95 1fki s SER 8 Ca -0.28 -0.34 -0.21 0.00 1.31 0.00 0.00 55.95 56.44 1fki s SER 8 Cb 0.06 -0.51 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1fki s SER 8 CO 0.41 0.16 1.33 -2.84 0.41 0.00 0.00 173.24 172.71 1fki s PRO 9 N -0.04 3.06 0.00 12.44 0.02 -1.26 -1.64 135.00 147.58 1fki s PRO 9 Ca -0.02 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1fki s PRO 9 Cb -0.10 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.24 1fki s PRO 9 CO 0.02 -1.23 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 1fki n GLY 10 N 0.73 2.47 0.00 0.52 0.00 -1.26 -4.24 105.19 103.41 1fki n GLY 10 Ca 0.11 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.21 1fki n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fki n ASP 11 N -0.24 0.00 0.00 1.61 5.75 0.46 -4.85 116.55 119.28 1fki n ASP 11 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 1fki n ASP 11 Cb 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1fki n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fki n GLY 12 N 0.97 0.25 0.87 6.12 0.00 -1.26 -4.73 105.19 107.41 1fki n GLY 12 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1fki n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fki n ARG 13 N -0.93 0.00 -2.99 1.61 1.74 -1.26 -4.98 116.66 109.85 1fki n ARG 13 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 1fki n ARG 13 Cb 0.23 -0.52 -0.04 0.00 -1.02 0.00 0.00 32.46 31.11 1fki n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fki s THR 14 N -1.92 4.62 0.02 0.55 2.01 -1.26 -5.03 115.64 114.63 1fki s THR 14 Ca 0.00 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 1fki s THR 14 Cb 0.00 -4.60 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 1fki s THR 14 CO 0.00 -1.31 0.15 -0.36 -0.69 0.00 0.00 174.62 172.41 1fki s PHE 15 N 3.21 3.42 0.51 4.92 0.08 -1.26 -1.48 117.98 127.38 1fki s PHE 15 Ca 0.18 0.25 -0.22 0.00 0.12 0.00 0.00 56.93 57.27 1fki s PHE 15 Cb -0.19 -1.76 -0.06 0.00 -0.57 0.00 0.00 43.02 40.45 1fki s PHE 15 CO 0.06 0.59 1.23 -1.25 -0.10 0.00 0.00 175.22 175.74 1fki s PRO 16 N -2.09 3.41 0.17 0.24 0.04 -1.26 -5.03 135.00 130.49 1fki s PRO 16 Ca 0.28 1.90 0.06 0.00 0.04 0.00 0.00 61.00 63.29 1fki s PRO 16 Cb -0.12 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1fki s PRO 16 CO 0.20 -0.87 0.05 0.15 0.04 0.00 0.00 177.00 176.57 1fki s LYS 17 N -2.91 2.59 0.26 4.56 1.02 -1.26 -4.95 119.74 119.05 1fki s LYS 17 Ca 0.69 -1.02 -0.31 0.00 0.02 0.00 0.00 55.97 55.35 1fki s LYS 17 Cb -0.32 -2.47 -0.12 0.00 -0.52 0.00 0.00 37.83 34.41 1fki s LYS 17 CO 0.38 0.47 1.62 -2.13 -0.92 0.00 0.00 175.35 174.76 1fki n ARG 18 N -0.20 2.67 0.00 1.68 0.63 -1.26 -1.26 116.66 118.91 1fki n ARG 18 Ca -0.09 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 1fki n ARG 18 Cb 0.55 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 30.71 1fki n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fki n GLY 19 N 2.72 2.76 3.83 5.14 0.00 0.21 -4.99 105.19 114.86 1fki n GLY 19 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1fki n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fki s GLN 20 N -0.92 4.13 -0.27 1.61 -0.21 -0.39 -4.81 119.66 118.80 1fki s GLN 20 Ca 0.00 0.78 -0.23 0.00 0.02 0.00 0.00 55.36 55.93 1fki s GLN 20 Cb 0.00 -2.62 -0.01 0.00 1.00 0.00 0.00 33.01 31.38 1fki s GLN 20 CO 0.00 0.25 0.77 0.99 -2.12 0.00 0.00 175.29 175.19 1fki s THR 21 N -1.79 4.85 -0.00 -0.19 2.01 -1.26 -1.23 115.64 118.04 1fki s THR 21 Ca 0.50 1.35 -0.20 0.00 0.31 0.00 0.00 61.69 63.64 1fki s THR 21 Cb -0.13 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 1fki s THR 21 CO 0.19 -0.11 0.59 0.00 -0.69 0.00 0.00 174.62 174.60 1fki s VAL 23 N -0.21 3.97 0.16 0.00 1.01 0.02 -1.53 120.40 123.82 1fki s VAL 23 Ca 0.31 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1fki s VAL 23 Cb -0.18 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1fki s VAL 23 CO 0.17 0.28 -0.01 0.68 0.00 0.00 0.00 175.10 176.22 1fki s VAL 24 N 1.55 0.69 0.05 2.92 -7.23 -0.12 -1.06 120.40 117.19 1fki s VAL 24 Ca 0.05 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.32 1fki s VAL 24 Cb -0.15 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1fki s VAL 24 CO 0.01 -0.56 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.05 1fki s HIS 25 N -3.64 2.52 0.07 2.82 3.76 -0.63 -0.99 115.29 119.20 1fki s HIS 25 Ca 0.21 -0.28 -0.11 0.00 -0.15 0.00 0.00 55.06 54.74 1fki s HIS 25 Cb 0.06 -1.44 0.01 0.00 1.11 0.00 0.00 32.58 32.31 1fki s HIS 25 CO 0.02 0.25 0.24 1.52 -0.85 0.00 0.00 174.74 175.92 1fki s TYR 26 N -0.93 0.02 -0.05 1.40 -0.85 -1.26 -0.69 117.35 114.99 1fki s TYR 26 Ca 0.14 -0.31 0.02 0.00 -0.52 0.00 0.00 57.07 56.41 1fki s TYR 26 Cb -0.10 0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.27 1fki s TYR 26 CO 0.05 -0.52 -0.11 0.99 -1.52 0.00 0.00 175.55 174.44 1fki s THR 27 N -3.15 1.03 -0.03 -3.49 2.01 -0.54 -1.20 115.64 110.27 1fki s THR 27 Ca -0.01 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.61 1fki s THR 27 Cb 0.01 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1fki s THR 27 CO -0.07 0.33 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.16 1fki s GLY 28 N 0.55 1.42 0.05 4.40 0.00 -0.41 -0.81 107.32 112.52 1fki s GLY 28 Ca -0.11 -1.07 -0.06 0.00 0.00 0.00 0.00 44.72 43.48 1fki s GLY 28 CO 0.03 -0.88 0.10 -3.16 0.00 0.00 0.00 173.10 169.19 1fki s MET 29 N -0.76 0.66 0.68 2.90 0.23 0.14 -1.04 119.30 122.11 1fki s MET 29 Ca 0.11 -0.87 -0.13 0.00 -1.03 0.00 0.00 55.69 53.77 1fki s MET 29 Cb -0.10 0.26 0.01 0.00 -1.53 0.00 0.00 34.83 33.46 1fki s MET 29 CO 0.00 -0.17 1.08 -0.51 -2.03 0.00 0.00 175.02 173.39 1fki s LEU 30 N -2.43 3.24 0.56 0.18 1.43 -0.05 -0.79 118.68 120.82 1fki s LEU 30 Ca -0.01 1.79 0.38 0.00 -1.03 0.00 0.00 54.13 55.26 1fki s LEU 30 Cb 0.02 -4.52 1.51 0.00 0.03 0.00 0.00 46.19 43.23 1fki s LEU 30 CO -0.07 -1.57 1.70 -0.08 0.23 0.00 0.00 176.35 176.57 1fki h GLU 31 N -0.41 0.00 -0.10 1.70 4.81 -1.71 0.80 114.58 119.67 1fki h GLU 31 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1fki h GLU 31 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1fki h GLU 31 CO 0.55 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.43 1fki n ASP 32 N -3.95 1.17 0.00 1.04 5.68 -1.26 -4.91 116.55 114.32 1fki n ASP 32 Ca 0.27 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 1fki n ASP 32 Cb 1.39 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 41.30 1fki n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fki n GLY 33 N 1.05 0.62 3.64 6.12 0.00 0.28 -5.03 105.19 111.87 1fki n GLY 33 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1fki n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fki s LYS 34 N -0.79 3.89 0.20 1.61 2.20 -1.26 -4.73 119.74 120.85 1fki s LYS 34 Ca 0.00 2.05 -0.19 0.00 -0.36 0.00 0.00 55.97 57.47 1fki s LYS 34 Cb 0.00 -4.09 -0.08 0.00 -1.51 0.00 0.00 37.83 32.15 1fki s LYS 34 CO 0.00 -1.20 0.69 -1.59 -0.36 0.00 0.00 175.35 172.89 1fki s LYS 35 N 4.66 4.22 -0.01 4.03 -2.85 -1.26 -0.87 119.74 127.66 1fki s LYS 35 Ca 0.79 0.81 0.06 0.00 -1.00 0.00 0.00 55.97 56.64 1fki s LYS 35 Cb -0.32 -2.93 -0.09 0.00 -2.06 0.00 0.00 37.83 32.42 1fki s LYS 35 CO 0.32 0.43 0.13 1.97 0.10 0.00 0.00 175.35 178.31 1fki n PHE 36 N 0.85 0.00 -3.51 1.78 1.16 -0.21 -4.93 117.46 112.61 1fki n PHE 36 Ca -0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.45 1fki n PHE 36 Cb 0.51 -0.14 -0.03 0.00 -1.61 0.00 0.00 39.48 38.21 1fki n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fki s ASP 37 N -2.70 -0.40 -0.23 5.98 2.15 -1.19 -5.02 116.67 115.26 1fki s ASP 37 Ca -0.02 0.09 -0.15 0.00 0.43 0.00 0.00 52.55 52.90 1fki s ASP 37 Cb 0.04 0.40 0.07 0.00 -0.30 0.00 0.00 42.92 43.13 1fki s ASP 37 CO 0.25 -0.62 0.58 -0.55 -0.17 0.00 0.00 175.17 174.67 1fki s SER 38 N -2.25 -0.75 0.46 -0.34 0.15 -1.26 -1.29 113.70 108.42 1fki s SER 38 Ca 0.03 1.26 0.26 0.00 0.70 0.00 0.00 55.95 58.19 1fki s SER 38 Cb -0.01 1.16 0.73 0.00 -1.71 0.00 0.00 66.02 66.19 1fki s SER 38 CO -0.07 -0.22 1.75 0.77 1.20 0.00 0.00 173.24 176.67 1fki h SER 39 N 6.70 0.00 -0.61 5.45 4.64 -1.44 -3.12 113.55 125.16 1fki h SER 39 Ca -0.32 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.93 1fki h SER 39 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1fki h SER 39 CO 0.20 0.09 0.10 0.03 -0.87 0.00 0.00 176.83 176.38 1fki h ARG 40 N 0.00 1.03 0.00 4.77 3.08 -1.83 0.10 114.38 121.54 1fki h ARG 40 Ca -0.00 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 1fki h ARG 40 Cb 0.85 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1fki h ARG 40 CO 0.01 0.95 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.33 1fki h ASP 41 N 0.97 0.00 0.71 7.04 3.32 -1.89 0.22 116.42 126.79 1fki h ASP 41 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1fki h ASP 41 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1fki h ASP 41 CO 0.01 0.09 -0.90 0.54 -1.72 0.00 0.00 179.24 177.26 1fki n ARG 42 N -3.96 0.37 -4.06 3.56 1.74 -0.84 -4.97 116.66 108.51 1fki n ARG 42 Ca -0.02 0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.78 1fki n ARG 42 Cb 0.18 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1fki n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1fki n ASN 43 N -2.19 -1.50 -3.65 0.55 3.02 0.78 -4.97 115.26 107.29 1fki n ASN 43 Ca 0.02 -1.17 -0.28 0.00 -0.03 0.00 0.00 54.58 53.12 1fki n ASN 43 Cb 0.47 -2.30 -0.16 0.00 -0.61 0.00 0.00 39.78 37.18 1fki n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1fki s LYS 44 N -6.96 0.37 0.76 3.52 2.20 -1.06 -5.04 119.74 113.52 1fki s LYS 44 Ca 0.19 -0.40 -0.15 0.00 -0.36 0.00 0.00 55.97 55.25 1fki s LYS 44 Cb -0.09 -1.81 0.05 0.00 -1.51 0.00 0.00 37.83 34.46 1fki s LYS 44 CO 0.94 -0.76 1.18 -2.30 -0.36 0.00 0.00 175.35 174.05 1fki n PRO 45 N 5.15 0.46 -4.12 4.03 -0.02 -1.26 -4.65 135.00 134.59 1fki n PRO 45 Ca -0.07 0.23 -0.35 0.00 -2.02 0.00 0.00 63.50 61.28 1fki n PRO 45 Cb 0.46 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 1fki n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1fki s PHE 46 N -1.89 3.37 -0.03 6.00 5.36 -0.16 -4.90 117.98 125.72 1fki s PHE 46 Ca 0.76 0.34 0.07 0.00 -0.96 0.00 0.00 56.93 57.13 1fki s PHE 46 Cb -0.32 -1.84 -0.02 0.00 -0.34 0.00 0.00 43.02 40.50 1fki s PHE 46 CO 0.48 0.60 -0.24 0.15 -1.46 0.00 0.00 175.22 174.75 1fki s LYS 47 N -1.12 2.10 0.05 10.12 1.02 -1.26 -0.95 119.74 129.70 1fki s LYS 47 Ca 0.16 -0.86 -0.11 0.00 0.02 0.00 0.00 55.97 55.19 1fki s LYS 47 Cb -0.12 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1fki s LYS 47 CO 0.06 0.46 0.23 -0.59 -0.92 0.00 0.00 175.35 174.59 1fki s PHE 48 N -0.42 0.01 -0.21 3.18 -0.71 -0.58 -4.97 117.98 114.29 1fki s PHE 48 Ca 0.05 -0.23 -0.18 0.00 -1.04 0.00 0.00 56.93 55.53 1fki s PHE 48 Cb -0.11 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.68 1fki s PHE 48 CO 0.01 -0.46 0.51 1.41 -1.34 0.00 0.00 175.22 175.34 1fki s MET 49 N -2.68 4.17 0.23 1.99 -2.45 -1.26 -0.30 119.30 118.99 1fki s MET 49 Ca -0.04 0.39 -0.30 0.00 -1.25 0.00 0.00 55.69 54.48 1fki s MET 49 Cb -0.00 -3.58 -0.10 0.00 1.25 0.00 0.00 34.83 32.40 1fki s MET 49 CO -0.04 -0.18 1.41 -1.17 1.05 0.00 0.00 175.02 176.09 1fki s LEU 50 N 1.74 4.39 0.00 4.11 2.96 -0.37 -2.40 118.68 129.12 1fki s LEU 50 Ca 0.23 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 1fki s LEU 50 Cb -0.15 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1fki s LEU 50 CO 0.09 -0.66 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 1fki n GLY 51 N 2.40 3.02 0.22 7.98 0.00 -1.26 -0.62 105.19 116.93 1fki n GLY 51 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 1fki n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fki h LYS 52 N 0.47 0.00 -2.37 1.61 1.63 -1.89 -3.46 116.57 112.56 1fki h LYS 52 Ca 0.00 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.46 1fki h LYS 52 Cb 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1fki h LYS 52 CO 0.00 0.00 -0.43 1.04 -3.45 0.00 0.00 179.45 176.61 1fki n GLN 53 N -2.68 -1.36 0.00 1.90 6.02 -1.26 -4.90 117.38 115.11 1fki n GLN 53 Ca 0.00 0.84 0.13 0.00 -0.01 0.00 0.00 57.00 57.96 1fki n GLN 53 Cb 0.19 -5.28 0.45 0.00 1.02 0.00 0.00 30.24 26.63 1fki n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1fki n GLU 54 N -2.63 0.79 -4.52 -1.09 0.28 -1.26 -4.84 120.64 107.36 1fki n GLU 54 Ca -0.20 -0.41 -0.25 0.00 -0.16 0.00 0.00 57.16 56.14 1fki n GLU 54 Cb 0.65 -1.49 -0.11 0.00 1.43 0.00 0.00 31.44 31.92 1fki n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1fki s VAL 55 N -2.49 1.83 0.63 3.84 -7.23 -1.26 -5.12 120.40 110.59 1fki s VAL 55 Ca 0.26 -2.09 -0.19 0.00 -1.81 0.00 0.00 61.98 58.15 1fki s VAL 55 Cb 0.19 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 1fki s VAL 55 CO 0.50 -0.13 1.31 2.30 -0.31 0.00 0.00 175.10 178.77 1fki n ILE 56 N -0.77 4.70 -0.29 -0.62 -5.35 -1.26 -4.73 119.36 111.04 1fki n ILE 56 Ca -0.05 -0.50 0.21 0.00 -0.27 0.00 0.00 62.75 62.15 1fki n ILE 56 Cb 0.65 -1.53 0.51 0.00 -1.74 0.00 0.00 39.64 37.53 1fki n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fki h ARG 57 N 0.74 0.39 -0.24 6.28 2.43 -1.86 0.32 114.38 122.44 1fki h ARG 57 Ca -0.51 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 1fki h ARG 57 Cb 1.33 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1fki h ARG 57 CO 0.54 0.26 0.01 0.78 -1.51 0.00 0.00 179.97 180.04 1fki h GLY 58 N 0.40 0.38 1.17 2.80 0.00 -1.55 -1.06 103.07 105.21 1fki h GLY 58 Ca 0.54 -0.19 -0.29 0.00 0.00 0.00 0.00 47.33 47.38 1fki h GLY 58 CO -0.23 0.18 -1.20 1.49 0.00 0.00 0.00 176.54 176.78 1fki h TRP 59 N 0.34 0.97 -0.59 5.60 4.06 -1.22 -1.10 115.95 124.01 1fki h TRP 59 Ca 0.08 -0.62 -0.02 0.00 2.06 0.00 0.00 58.89 60.40 1fki h TRP 59 Cb 0.22 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.28 1fki h TRP 59 CO 0.01 1.46 0.31 0.93 -3.56 0.00 0.00 178.44 177.58 1fki h GLU 60 N 0.21 0.84 0.00 0.49 5.08 -0.97 -0.65 114.58 119.59 1fki h GLU 60 Ca -0.19 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 57.85 1fki h GLU 60 Cb 1.89 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.95 1fki h GLU 60 CO 0.23 0.66 -1.11 0.93 -1.00 0.00 0.00 179.01 178.72 1fki h GLU 61 N 0.80 0.00 0.01 2.33 5.08 -1.30 -3.13 114.58 118.38 1fki h GLU 61 Ca 0.21 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1fki h GLU 61 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1fki h GLU 61 CO -0.03 0.76 -0.20 0.78 -1.00 0.00 0.00 179.01 179.32 1fki h GLY 62 N 3.24 0.13 2.00 -3.84 0.00 -1.12 -3.31 103.07 100.17 1fki h GLY 62 Ca -0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1fki h GLY 62 CO 0.10 0.22 -0.22 -2.08 0.00 0.00 0.00 176.54 174.56 1fki h VAL 63 N -0.64 0.77 0.00 4.60 2.07 -1.26 -1.64 116.25 120.14 1fki h VAL 63 Ca -0.03 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1fki h VAL 63 Cb 1.01 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1fki h VAL 63 CO 0.04 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1fki h ALA 64 N 1.78 1.00 -0.26 1.67 0.00 -1.63 -1.70 119.26 120.13 1fki h ALA 64 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fki h ALA 64 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1fki h ALA 64 CO 0.03 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.32 1fki n GLN 65 N -2.51 1.81 -4.29 0.00 6.02 -0.62 -4.54 117.38 113.25 1fki n GLN 65 Ca 0.01 -1.23 -0.32 0.00 -0.01 0.00 0.00 57.00 55.45 1fki n GLN 65 Cb 0.24 -1.36 -0.09 0.00 1.02 0.00 0.00 30.24 30.05 1fki n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1fki s MET 66 N -1.66 2.68 0.25 -1.09 -1.94 -0.64 -5.11 119.30 111.79 1fki s MET 66 Ca 0.29 -0.69 0.06 0.00 -1.71 0.00 0.00 55.69 53.65 1fki s MET 66 Cb 0.16 -2.60 -0.03 0.00 2.01 0.00 0.00 34.83 34.37 1fki s MET 66 CO 0.23 0.60 0.31 -1.54 -0.01 0.00 0.00 175.02 174.61 1fki s SER 67 N -1.68 6.00 0.18 3.03 1.04 -1.26 -4.16 113.70 116.85 1fki s SER 67 Ca 0.20 -0.07 -0.33 0.00 0.48 0.00 0.00 55.95 56.23 1fki s SER 67 Cb -0.11 -1.64 -0.13 0.00 0.10 0.00 0.00 66.02 64.23 1fki s SER 67 CO 0.11 -0.09 1.59 0.52 0.98 0.00 0.00 173.24 176.35 1fki n VAL 68 N -1.35 0.09 -0.11 5.02 0.31 -0.55 -1.60 118.33 120.13 1fki n VAL 68 Ca -0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1fki n VAL 68 Cb 0.57 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1fki n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fki n GLY 69 N 3.39 0.71 3.80 2.92 0.00 0.17 -0.40 105.19 115.77 1fki n GLY 69 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1fki n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fki s GLN 70 N -0.74 4.45 -0.11 1.61 0.74 -0.63 -4.28 119.66 120.69 1fki s GLN 70 Ca 0.00 1.24 0.03 0.00 0.05 0.00 0.00 55.36 56.68 1fki s GLN 70 Cb 0.00 -2.59 -0.00 0.00 1.10 0.00 0.00 33.01 31.52 1fki s GLN 70 CO 0.00 0.18 -0.21 0.50 -0.55 0.00 0.00 175.29 175.21 1fki s ARG 71 N -2.44 3.14 0.06 1.67 3.52 -0.65 -1.28 118.95 122.97 1fki s ARG 71 Ca 0.54 -0.82 -0.09 0.00 -0.13 0.00 0.00 55.73 55.23 1fki s ARG 71 Cb -0.15 -2.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1fki s ARG 71 CO 0.20 0.16 0.19 0.00 -0.81 0.00 0.00 175.30 175.04 1fki s ALA 72 N 0.42 -0.29 -0.20 6.12 0.00 -0.06 -0.39 121.76 127.35 1fki s ALA 72 Ca -0.15 -0.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 1fki s ALA 72 Cb -0.17 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1fki s ALA 72 CO 0.07 -0.43 0.06 0.21 0.00 0.00 0.00 175.76 175.66 1fki s LYS 73 N -3.21 3.86 -0.16 0.00 2.20 0.45 -0.81 119.74 122.07 1fki s LYS 73 Ca -0.00 -0.40 -0.00 0.00 -0.36 0.00 0.00 55.97 55.21 1fki s LYS 73 Cb 0.02 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1fki s LYS 73 CO -0.07 0.11 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.38 1fki s LEU 74 N 0.81 2.53 -0.16 5.43 1.43 0.23 -0.39 118.68 128.56 1fki s LEU 74 Ca 0.03 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1fki s LEU 74 Cb -0.14 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1fki s LEU 74 CO 0.02 0.07 -0.12 0.28 0.23 0.00 0.00 176.35 176.83 1fki s THR 75 N 0.88 2.93 -0.21 5.49 -1.32 -0.50 -1.01 115.64 121.89 1fki s THR 75 Ca -0.04 -0.68 -0.01 0.00 -1.21 0.00 0.00 61.69 59.75 1fki s THR 75 Cb -0.15 -2.25 0.02 0.00 -1.51 0.00 0.00 72.50 68.60 1fki s THR 75 CO -0.01 0.50 -0.11 -0.63 -2.21 0.00 0.00 174.62 172.16 1fki s ILE 76 N 0.77 2.64 0.77 5.08 1.01 0.34 -0.72 121.20 131.09 1fki s ILE 76 Ca -0.05 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 1fki s ILE 76 Cb -0.15 -2.23 0.06 0.00 0.01 0.00 0.00 42.46 40.14 1fki s ILE 76 CO 0.01 0.38 1.10 -0.94 0.00 0.00 0.00 174.94 175.48 1fki s SER 77 N 1.34 4.47 0.25 3.58 1.04 -0.86 -1.06 113.70 122.46 1fki s SER 77 Ca 0.03 1.87 -0.04 0.00 0.48 0.00 0.00 55.95 58.29 1fki s SER 77 Cb -0.15 -2.53 0.47 0.00 0.10 0.00 0.00 66.02 63.92 1fki s SER 77 CO -0.08 -2.06 1.73 -0.65 0.98 0.00 0.00 173.24 173.16 1fki h PRO 78 N -1.04 0.42 0.00 4.02 0.11 -1.87 -0.61 132.00 133.04 1fki h PRO 78 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1fki h PRO 78 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1fki h PRO 78 CO 0.51 0.28 0.00 0.38 -0.21 0.00 0.00 178.00 178.96 1fki h ASP 79 N 0.43 0.00 -0.46 -2.05 2.03 -1.92 -0.53 116.42 113.93 1fki h ASP 79 Ca 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.72 1fki h ASP 79 Cb 0.65 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1fki h ASP 79 CO -0.41 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.58 1fki n TYR 80 N -2.97 0.60 0.00 4.15 4.02 -0.25 -4.88 117.16 117.83 1fki n TYR 80 Ca -0.02 -0.33 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 1fki n TYR 80 Cb 0.12 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 1fki n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fki n ALA 81 N 1.40 0.00 0.33 -0.72 0.00 -0.28 -1.32 120.51 119.93 1fki n ALA 81 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.68 1fki n ALA 81 Cb 0.58 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.08 1fki n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fki n TYR 82 N 0.00 0.06 -4.42 0.00 4.01 -1.15 -4.81 117.16 110.85 1fki n TYR 82 Ca 0.00 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1fki n TYR 82 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1fki n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fki n GLY 83 N 0.54 2.25 0.17 2.72 0.00 -0.79 -2.30 105.19 107.78 1fki n GLY 83 Ca 0.07 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.64 1fki n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fki h ALA 84 N -0.71 0.80 -0.14 4.61 0.00 -1.94 0.21 119.26 122.09 1fki h ALA 84 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1fki h ALA 84 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1fki h ALA 84 CO 0.00 0.35 -0.30 1.15 0.00 0.00 0.00 179.25 180.44 1fki h THR 85 N 0.00 1.37 -0.09 0.00 2.02 -1.90 -3.40 112.91 110.91 1fki h THR 85 Ca -0.01 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1fki h THR 85 Cb 1.21 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1fki h THR 85 CO 0.03 0.47 0.00 0.61 0.37 0.00 0.00 175.52 177.00 1fki n GLY 86 N 0.46 -1.34 2.85 2.16 0.00 -0.97 -4.56 105.19 103.78 1fki n GLY 86 Ca -0.07 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 1fki n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fki s HIS 87 N 0.00 1.47 -0.08 1.61 2.46 -0.54 -4.88 115.29 115.32 1fki s HIS 87 Ca 0.00 -0.94 -0.37 0.00 0.47 0.00 0.00 55.06 54.22 1fki s HIS 87 Cb 0.00 -1.20 -0.15 0.00 -0.13 0.00 0.00 32.58 31.10 1fki s HIS 87 CO 0.00 -0.58 1.65 -0.35 -2.47 0.00 0.00 174.74 172.99 1fki n PRO 88 N 4.94 1.53 0.00 2.88 -0.04 -1.26 -0.78 135.00 142.27 1fki n PRO 88 Ca -0.11 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1fki n PRO 88 Cb 0.48 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1fki n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fki n GLY 89 N 3.72 2.56 0.89 0.55 0.00 -1.26 -4.72 105.19 106.93 1fki n GLY 89 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1fki n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fki n ILE 90 N -2.00 0.00 -4.03 -0.61 5.41 -0.20 -5.04 119.36 112.89 1fki n ILE 90 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 1fki n ILE 90 Cb 0.00 -1.10 -0.14 0.00 -0.71 0.00 0.00 39.64 37.69 1fki n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1fki s ILE 91 N -1.96 3.18 1.01 1.39 -1.09 0.04 -4.94 121.20 118.83 1fki s ILE 91 Ca 0.00 -0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 57.74 1fki s ILE 91 Cb 0.00 -2.42 0.20 0.00 -1.58 0.00 0.00 42.46 38.65 1fki s ILE 91 CO 0.00 0.45 1.10 -2.16 -1.23 0.00 0.00 174.94 173.10 1fki s PRO 92 N 1.31 0.31 0.56 2.79 0.04 -1.26 -1.46 135.00 137.29 1fki s PRO 92 Ca 0.04 1.25 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 1fki s PRO 92 Cb -0.14 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1fki s PRO 92 CO -0.04 -3.02 1.30 -2.14 0.04 0.00 0.00 177.00 173.14 1fki s PRO 93 N -4.59 3.07 -1.46 0.56 0.02 -1.26 -3.74 135.00 127.59 1fki s PRO 93 Ca 0.67 2.07 -0.09 0.00 0.02 0.00 0.00 61.00 63.68 1fki s PRO 93 Cb -0.23 -2.14 0.04 0.00 0.02 0.00 0.00 34.50 32.19 1fki s PRO 93 CO 0.60 -1.19 0.82 0.72 -0.33 0.00 0.00 177.00 177.62 1fki n HIS 94 N -1.23 -2.24 -3.32 6.54 8.25 0.73 -4.96 115.22 118.99 1fki n HIS 94 Ca 0.12 0.72 -0.38 0.00 -0.26 0.00 0.00 57.72 57.92 1fki n HIS 94 Cb 0.47 -4.23 -0.06 0.00 1.12 0.00 0.00 29.99 27.28 1fki n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fki s ALA 95 N -3.20 3.48 0.00 -1.41 0.00 -1.25 -4.78 121.76 114.61 1fki s ALA 95 Ca 0.48 -0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.95 1fki s ALA 95 Cb -0.23 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1fki s ALA 95 CO 0.59 0.02 0.97 0.99 0.00 0.00 0.00 175.76 178.32 1fki s THR 96 N 0.55 4.86 0.08 0.00 2.01 -1.26 -3.85 115.64 118.02 1fki s THR 96 Ca 0.26 2.03 0.06 0.00 0.31 0.00 0.00 61.69 64.35 1fki s THR 96 Cb -0.15 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1fki s THR 96 CO 0.10 0.17 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.34 1fki s LEU 97 N 0.94 2.99 -0.10 4.42 1.43 -0.23 -1.88 118.68 126.26 1fki s LEU 97 Ca 0.51 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1fki s LEU 97 Cb -0.21 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1fki s LEU 97 CO 0.28 0.21 -0.19 -0.69 0.23 0.00 0.00 176.35 176.18 1fki s VAL 98 N -1.13 1.71 -0.06 -1.59 1.01 0.03 -0.50 120.40 119.87 1fki s VAL 98 Ca 0.19 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1fki s VAL 98 Cb -0.11 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1fki s VAL 98 CO 0.11 0.48 -0.16 -0.36 0.00 0.00 0.00 175.10 175.17 1fki s PHE 99 N 0.58 1.74 -0.38 5.22 0.08 -0.18 -0.68 117.98 124.36 1fki s PHE 99 Ca -0.15 -0.60 -0.14 0.00 0.12 0.00 0.00 56.93 56.16 1fki s PHE 99 Cb -0.17 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 1fki s PHE 99 CO 0.05 -0.25 0.30 0.34 -0.10 0.00 0.00 175.22 175.56 1fki s ASP 100 N 0.34 6.11 -0.02 1.36 -1.08 0.01 -0.60 116.67 122.79 1fki s ASP 100 Ca -0.11 -0.61 0.08 0.00 -0.52 0.00 0.00 52.55 51.39 1fki s ASP 100 Cb -0.14 -2.16 -0.02 0.00 -1.46 0.00 0.00 42.92 39.14 1fki s ASP 100 CO 0.04 -0.37 -0.25 -0.69 0.52 0.00 0.00 175.17 174.42 1fki s VAL 101 N 1.79 2.09 -0.12 1.11 1.01 0.01 -1.47 120.40 124.82 1fki s VAL 101 Ca 0.07 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1fki s VAL 101 Cb -0.18 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1fki s VAL 101 CO 0.11 0.58 -0.16 -0.70 0.00 0.00 0.00 175.10 174.92 1fki s GLU 102 N -0.57 2.39 -0.49 2.72 2.12 0.13 -0.88 118.70 124.12 1fki s GLU 102 Ca 0.09 -0.62 -0.20 0.00 0.36 0.00 0.00 54.97 54.60 1fki s GLU 102 Cb -0.10 -2.03 0.05 0.00 0.26 0.00 0.00 34.13 32.30 1fki s GLU 102 CO -0.01 -0.08 0.67 -1.17 -0.54 0.00 0.00 175.26 174.13 1fki s LEU 103 N 1.03 4.73 -0.08 2.70 2.96 -0.40 -1.60 118.68 128.01 1fki s LEU 103 Ca -0.05 -0.69 -0.23 0.00 -0.22 0.00 0.00 54.13 52.94 1fki s LEU 103 Cb -0.15 -2.56 -0.19 0.00 0.50 0.00 0.00 46.19 43.79 1fki s LEU 103 CO -0.03 -0.90 0.85 -0.07 -1.32 0.00 0.00 176.35 174.88 1fki h LEU 104 N 9.85 -0.06 -7.53 -0.68 4.07 -1.41 0.50 115.31 120.05 1fki h LEU 104 Ca -0.27 -0.60 0.14 0.00 0.08 0.00 0.00 57.88 57.24 1fki h LEU 104 Cb 1.09 0.02 -0.09 0.00 1.08 0.00 0.00 40.66 42.75 1fki h LEU 104 CO 0.96 0.64 0.45 -1.59 -1.08 0.00 0.00 178.44 177.82 1fki s LYS 105 N -3.00 1.18 -0.02 1.13 -2.85 -1.12 -4.52 119.74 110.55 1fki s LYS 105 Ca -0.15 -0.61 0.03 0.00 -1.00 0.00 0.00 55.97 54.25 1fki s LYS 105 Cb -0.01 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.16 1fki s LYS 105 CO 0.56 -0.54 -0.09 -0.51 0.10 0.00 0.00 175.35 174.87 1fki s LEU 106 N -2.84 3.04 0.00 2.77 1.02 -1.26 -0.80 118.68 120.62 1fki s LEU 106 Ca 0.10 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.10 1fki s LEU 106 Cb -0.02 -1.71 0.00 0.00 0.02 0.00 0.00 46.19 44.48 1fki s LEU 106 CO -0.00 0.31 0.07 -0.62 0.02 0.00 0.00 176.35 176.13