#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkb s VAL 2 N 0.00 0.75 -0.16 1.61 0.11 -1.26 -1.24 120.40 120.22 1fkb s VAL 2 Ca 0.00 -0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 58.74 1fkb s VAL 2 Cb 0.00 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1fkb s VAL 2 CO 0.00 0.28 0.06 -1.58 -3.33 0.00 0.00 175.10 170.52 1fkb s GLN 3 N 0.89 3.74 -0.25 1.54 0.74 -0.34 -4.95 119.66 121.04 1fkb s GLN 3 Ca -0.11 -0.34 -0.03 0.00 0.05 0.00 0.00 55.36 54.93 1fkb s GLN 3 Cb -0.15 -3.13 0.02 0.00 1.10 0.00 0.00 33.01 30.85 1fkb s GLN 3 CO 0.01 0.40 -0.04 0.08 -0.55 0.00 0.00 175.29 175.19 1fkb s VAL 4 N -0.01 3.08 -0.16 1.34 1.01 -1.26 -1.46 120.40 122.95 1fkb s VAL 4 Ca 0.06 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1fkb s VAL 4 Cb -0.12 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1fkb s VAL 4 CO 0.01 0.24 -0.13 -1.61 0.00 0.00 0.00 175.10 173.61 1fkb s GLU 5 N 1.38 3.29 0.07 2.72 2.02 0.15 -4.97 118.70 123.35 1fkb s GLU 5 Ca 0.02 -0.71 -0.31 0.00 0.02 0.00 0.00 54.97 53.99 1fkb s GLU 5 Cb -0.16 -2.69 -0.07 0.00 0.10 0.00 0.00 34.13 31.32 1fkb s GLU 5 CO -0.04 0.03 1.34 0.99 0.02 0.00 0.00 175.26 177.61 1fkb s THR 6 N 0.79 3.60 -0.16 3.63 2.01 -1.26 -0.61 115.64 123.64 1fkb s THR 6 Ca -0.05 1.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.96 1fkb s THR 6 Cb -0.15 -3.72 -0.23 0.00 0.01 0.00 0.00 72.50 68.41 1fkb s THR 6 CO 0.01 0.07 0.25 -0.38 -0.69 0.00 0.00 174.62 173.87 1fkb n ILE 7 N 4.12 1.68 -3.78 1.82 5.41 0.12 -4.87 119.36 123.86 1fkb n ILE 7 Ca 0.11 -0.45 -0.13 0.00 1.00 0.00 0.00 62.75 63.28 1fkb n ILE 7 Cb 0.44 -1.81 -0.13 0.00 -0.71 0.00 0.00 39.64 37.42 1fkb n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1fkb s SER 8 N -6.98 -0.19 0.43 4.38 0.01 -0.81 -4.97 113.70 105.57 1fkb s SER 8 Ca -0.26 0.39 -0.24 0.00 1.31 0.00 0.00 55.95 57.15 1fkb s SER 8 Cb 0.07 0.34 -0.08 0.00 0.21 0.00 0.00 66.02 66.56 1fkb s SER 8 CO 0.69 -0.11 1.18 -2.16 0.41 0.00 0.00 173.24 173.26 1fkb s PRO 9 N 0.62 3.88 0.00 12.44 0.04 -1.26 -1.07 135.00 149.65 1fkb s PRO 9 Ca -0.04 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1fkb s PRO 9 Cb -0.06 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1fkb s PRO 9 CO -0.03 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1fkb n GLY 10 N 0.55 0.11 0.00 0.56 0.00 -1.26 -4.23 105.19 100.92 1fkb n GLY 10 Ca 0.06 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.42 1fkb n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fkb n ASP 11 N -0.67 0.00 -0.56 1.61 5.75 -0.47 -4.84 116.55 117.38 1fkb n ASP 11 Ca 0.00 0.40 -0.07 0.00 -0.01 0.00 0.00 54.79 55.11 1fkb n ASP 11 Cb 0.00 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.59 1fkb n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkb n GLY 12 N 1.22 0.86 0.45 6.12 0.00 -1.26 -4.72 105.19 107.87 1fkb n GLY 12 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1fkb n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkb n ARG 13 N -1.71 0.00 -3.29 1.61 1.74 -1.26 -5.02 116.66 108.73 1fkb n ARG 13 Ca -0.07 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.56 1fkb n ARG 13 Cb 0.38 -0.49 -0.06 0.00 -1.02 0.00 0.00 32.46 31.26 1fkb n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fkb s THR 14 N -1.44 5.10 0.08 0.55 2.01 -1.26 -5.04 115.64 115.64 1fkb s THR 14 Ca 0.00 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.05 1fkb s THR 14 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1fkb s THR 14 CO 0.00 -0.75 -0.11 -0.36 -0.69 0.00 0.00 174.62 172.71 1fkb s PHE 15 N 1.98 2.72 0.52 4.92 0.40 -1.26 -0.59 117.98 126.66 1fkb s PHE 15 Ca 0.07 -0.16 -0.22 0.00 -0.60 0.00 0.00 56.93 56.02 1fkb s PHE 15 Cb -0.24 -1.45 -0.06 0.00 0.51 0.00 0.00 43.02 41.78 1fkb s PHE 15 CO 0.07 0.39 1.34 -2.14 0.70 0.00 0.00 175.22 175.58 1fkb s PRO 16 N -1.99 3.32 0.13 0.24 0.02 -1.26 -5.01 135.00 130.45 1fkb s PRO 16 Ca 0.20 2.20 0.04 0.00 0.02 0.00 0.00 61.00 63.45 1fkb s PRO 16 Cb -0.11 -2.34 -0.04 0.00 0.02 0.00 0.00 34.50 32.03 1fkb s PRO 16 CO 0.11 -1.04 0.13 0.21 -0.33 0.00 0.00 177.00 176.09 1fkb s LYS 17 N -2.80 2.96 0.20 5.54 2.20 -1.26 -4.95 119.74 121.63 1fkb s LYS 17 Ca 0.69 -0.77 -0.33 0.00 -0.36 0.00 0.00 55.97 55.20 1fkb s LYS 17 Cb -0.39 -2.71 -0.14 0.00 -1.51 0.00 0.00 37.83 33.08 1fkb s LYS 17 CO 0.47 0.52 1.46 -2.13 -0.36 0.00 0.00 175.35 175.31 1fkb n ARG 18 N -0.08 2.00 0.00 4.03 3.00 -1.26 -1.43 116.66 122.92 1fkb n ARG 18 Ca -0.08 0.72 0.00 0.00 -0.00 0.00 0.00 57.85 58.49 1fkb n ARG 18 Cb 0.53 -2.41 0.00 0.00 0.00 0.00 0.00 32.46 30.59 1fkb n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fkb n GLY 19 N 2.63 2.18 3.83 5.14 0.00 0.57 -4.99 105.19 114.54 1fkb n GLY 19 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1fkb n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fkb s GLN 20 N -0.53 4.07 -0.23 1.61 -0.21 -0.51 -4.71 119.66 119.15 1fkb s GLN 20 Ca 0.00 1.08 -0.26 0.00 0.02 0.00 0.00 55.36 56.20 1fkb s GLN 20 Cb 0.00 -2.15 -0.00 0.00 1.00 0.00 0.00 33.01 31.85 1fkb s GLN 20 CO 0.00 -0.17 0.87 0.99 -2.12 0.00 0.00 175.29 174.87 1fkb s THR 21 N -2.34 4.81 -0.07 -0.19 2.01 -0.55 -1.03 115.64 118.29 1fkb s THR 21 Ca 0.61 1.67 -0.15 0.00 0.31 0.00 0.00 61.69 64.14 1fkb s THR 21 Cb -0.10 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1fkb s THR 21 CO 0.21 -0.08 0.39 0.00 -0.69 0.00 0.00 174.62 174.44 1fkb s VAL 23 N -0.30 3.57 0.11 0.00 1.01 0.21 -2.16 120.40 122.84 1fkb s VAL 23 Ca 0.22 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1fkb s VAL 23 Cb -0.15 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1fkb s VAL 23 CO 0.10 0.32 -0.09 0.68 0.00 0.00 0.00 175.10 176.10 1fkb s VAL 24 N 1.49 0.93 -0.00 2.92 -7.23 -0.32 -0.24 120.40 117.94 1fkb s VAL 24 Ca 0.05 -1.80 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 1fkb s VAL 24 Cb -0.15 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 1fkb s VAL 24 CO -0.01 -0.68 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.07 1fkb s HIS 25 N -2.92 3.00 0.04 2.82 3.76 -0.70 -1.58 115.29 119.72 1fkb s HIS 25 Ca 0.09 0.04 -0.05 0.00 -0.15 0.00 0.00 55.06 54.99 1fkb s HIS 25 Cb 0.00 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 1fkb s HIS 25 CO -0.01 0.43 0.09 1.52 -0.85 0.00 0.00 174.74 175.91 1fkb s TYR 26 N -1.04 0.23 -0.05 1.40 1.13 -1.26 -0.91 117.35 116.85 1fkb s TYR 26 Ca 0.18 -0.56 0.03 0.00 -1.41 0.00 0.00 57.07 55.30 1fkb s TYR 26 Cb -0.11 -0.16 0.01 0.00 -1.10 0.00 0.00 41.96 40.59 1fkb s TYR 26 CO 0.09 -0.37 -0.12 0.99 -2.51 0.00 0.00 175.55 173.62 1fkb s THR 27 N -2.79 1.10 -0.00 -3.49 2.01 -0.79 -0.68 115.64 111.00 1fkb s THR 27 Ca -0.03 -0.49 0.07 0.00 0.31 0.00 0.00 61.69 61.55 1fkb s THR 27 Cb -0.00 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1fkb s THR 27 CO -0.05 0.34 -0.21 -0.83 -0.69 0.00 0.00 174.62 173.17 1fkb s GLY 28 N 0.45 1.44 0.06 4.40 0.00 0.53 -0.87 107.32 113.33 1fkb s GLY 28 Ca -0.10 -1.13 -0.09 0.00 0.00 0.00 0.00 44.72 43.41 1fkb s GLY 28 CO 0.03 -0.97 0.18 -3.16 0.00 0.00 0.00 173.10 169.18 1fkb s MET 29 N -0.96 0.75 0.33 2.90 0.23 -0.35 -1.12 119.30 121.08 1fkb s MET 29 Ca 0.12 -0.81 -0.27 0.00 -1.03 0.00 0.00 55.69 53.70 1fkb s MET 29 Cb -0.10 0.31 -0.09 0.00 -1.53 0.00 0.00 34.83 33.41 1fkb s MET 29 CO 0.02 -0.22 1.07 -0.51 -2.03 0.00 0.00 175.02 173.34 1fkb s LEU 30 N -2.47 4.38 -0.08 0.18 1.43 -0.09 -1.15 118.68 120.88 1fkb s LEU 30 Ca -0.00 2.16 -0.34 0.00 -1.03 0.00 0.00 54.13 54.92 1fkb s LEU 30 Cb 0.02 -3.86 -0.11 0.00 0.03 0.00 0.00 46.19 42.26 1fkb s LEU 30 CO -0.07 -0.28 1.89 1.21 0.23 0.00 0.00 176.35 179.32 1fkb n GLU 31 N 0.66 2.25 -4.00 1.70 2.13 -0.30 -0.72 120.64 122.37 1fkb n GLU 31 Ca 0.01 0.83 -0.29 0.00 0.66 0.00 0.00 57.16 58.37 1fkb n GLU 31 Cb 0.47 -2.68 -0.01 0.00 0.27 0.00 0.00 31.44 29.49 1fkb n GLU 31 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1fkb n ASP 32 N 6.73 -2.03 0.00 4.31 8.00 -1.26 -4.91 116.55 127.39 1fkb n ASP 32 Ca 0.22 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1fkb n ASP 32 Cb 0.31 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 1fkb n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fkb n GLY 33 N -1.73 4.34 3.74 0.44 0.00 0.11 -5.15 105.19 106.94 1fkb n GLY 33 Ca -0.14 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1fkb n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fkb s LYS 34 N 1.44 4.53 0.13 1.61 2.20 -1.26 -4.48 119.74 123.92 1fkb s LYS 34 Ca 0.00 1.82 -0.31 0.00 -0.36 0.00 0.00 55.97 57.12 1fkb s LYS 34 Cb 0.00 -3.25 -0.09 0.00 -1.51 0.00 0.00 37.83 32.99 1fkb s LYS 34 CO 0.00 -0.02 1.48 0.21 -0.36 0.00 0.00 175.35 176.67 1fkb s LYS 35 N -0.39 4.27 -0.01 4.03 2.20 -1.26 -0.92 119.74 127.66 1fkb s LYS 35 Ca 0.51 2.21 0.07 0.00 -0.36 0.00 0.00 55.97 58.40 1fkb s LYS 35 Cb -0.32 -3.24 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 1fkb s LYS 35 CO 0.37 -0.53 0.17 1.97 -0.36 0.00 0.00 175.35 176.96 1fkb n PHE 36 N 4.11 0.00 -3.52 4.03 1.16 -0.27 -4.96 117.46 118.01 1fkb n PHE 36 Ca 0.13 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.55 1fkb n PHE 36 Cb 0.41 -0.13 -0.05 0.00 -1.61 0.00 0.00 39.48 38.10 1fkb n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fkb s ASP 37 N -2.58 -0.58 -0.24 5.98 2.15 -1.16 -5.00 116.67 115.25 1fkb s ASP 37 Ca -0.02 0.54 -0.13 0.00 0.43 0.00 0.00 52.55 53.38 1fkb s ASP 37 Cb 0.04 0.49 0.08 0.00 -0.30 0.00 0.00 42.92 43.23 1fkb s ASP 37 CO 0.28 -0.59 0.57 -0.55 -0.17 0.00 0.00 175.17 174.71 1fkb s SER 38 N -1.40 -0.76 0.51 -0.34 0.15 -1.26 -0.35 113.70 110.25 1fkb s SER 38 Ca -0.07 1.26 0.30 0.00 0.70 0.00 0.00 55.95 58.15 1fkb s SER 38 Cb -0.00 1.22 1.06 0.00 -1.71 0.00 0.00 66.02 66.59 1fkb s SER 38 CO 0.05 -0.22 1.87 0.77 1.20 0.00 0.00 173.24 176.91 1fkb h SER 39 N 7.18 0.00 -0.61 5.45 4.64 -1.19 -3.24 113.55 125.77 1fkb h SER 39 Ca -0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 1fkb h SER 39 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1fkb h SER 39 CO 0.20 0.00 0.14 0.03 -0.87 0.00 0.00 176.83 176.34 1fkb h ARG 40 N 0.00 0.99 -0.92 4.77 3.08 -1.82 -2.34 114.38 118.14 1fkb h ARG 40 Ca 0.00 -0.24 0.16 0.00 0.07 0.00 0.00 59.98 59.97 1fkb h ARG 40 Cb 0.66 -0.13 -0.10 0.00 0.08 0.00 0.00 29.97 30.48 1fkb h ARG 40 CO 0.00 0.91 0.52 -0.44 -1.07 0.00 0.00 179.97 179.88 1fkb h ASP 41 N 0.90 0.65 0.73 7.04 3.32 -1.91 -0.57 116.42 126.57 1fkb h ASP 41 Ca 0.19 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1fkb h ASP 41 Cb 0.37 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1fkb h ASP 41 CO 0.00 0.25 -0.05 0.54 -1.72 0.00 0.00 179.24 178.27 1fkb n ARG 42 N -4.82 0.24 -1.22 3.56 1.74 -0.92 -4.91 116.66 110.33 1fkb n ARG 42 Ca 0.20 -0.03 -0.07 0.00 -0.77 0.00 0.00 57.85 57.18 1fkb n ARG 42 Cb 0.49 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1fkb n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1fkb n ASN 43 N -1.36 -5.83 -4.10 0.55 3.02 -0.22 -4.95 115.26 102.37 1fkb n ASN 43 Ca 0.10 0.18 -0.28 0.00 -0.03 0.00 0.00 54.58 54.56 1fkb n ASN 43 Cb 0.30 -3.99 -0.17 0.00 -0.61 0.00 0.00 39.78 35.31 1fkb n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1fkb s LYS 44 N -2.63 2.24 0.54 3.52 2.20 -1.19 -5.05 119.74 119.38 1fkb s LYS 44 Ca 0.00 -0.60 -0.18 0.00 -0.36 0.00 0.00 55.97 54.84 1fkb s LYS 44 Cb 0.00 -1.79 -0.06 0.00 -1.51 0.00 0.00 37.83 34.47 1fkb s LYS 44 CO 0.00 0.06 1.04 -2.14 -0.36 0.00 0.00 175.35 173.96 1fkb s PRO 45 N 0.61 3.59 -0.02 4.03 0.02 -1.26 -4.62 135.00 137.35 1fkb s PRO 45 Ca -0.15 1.25 -0.12 0.00 0.02 0.00 0.00 61.00 62.00 1fkb s PRO 45 Cb -0.16 -2.07 -0.05 0.00 0.02 0.00 0.00 34.50 32.23 1fkb s PRO 45 CO 0.05 -0.59 0.34 0.12 -0.33 0.00 0.00 177.00 176.59 1fkb s PHE 46 N -2.26 3.68 0.00 6.54 5.36 -0.61 -4.91 117.98 125.78 1fkb s PHE 46 Ca 0.65 0.86 0.05 0.00 -0.96 0.00 0.00 56.93 57.53 1fkb s PHE 46 Cb -0.16 -2.19 -0.02 0.00 -0.34 0.00 0.00 43.02 40.32 1fkb s PHE 46 CO 0.29 0.65 -0.17 0.15 -1.46 0.00 0.00 175.22 174.68 1fkb s LYS 47 N -1.17 1.31 0.09 10.12 1.02 -1.26 -1.17 119.74 128.66 1fkb s LYS 47 Ca 0.23 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.45 1fkb s LYS 47 Cb -0.15 -1.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.88 1fkb s LYS 47 CO 0.12 0.35 0.25 -0.59 -0.92 0.00 0.00 175.35 174.55 1fkb s PHE 48 N -0.50 0.04 -0.25 3.18 -0.71 -0.92 -5.00 117.98 113.83 1fkb s PHE 48 Ca 0.06 -0.39 -0.11 0.00 -1.04 0.00 0.00 56.93 55.45 1fkb s PHE 48 Cb -0.07 0.03 -0.05 0.00 -1.21 0.00 0.00 43.02 41.72 1fkb s PHE 48 CO -0.00 -0.56 0.18 1.41 -1.34 0.00 0.00 175.22 174.91 1fkb s MET 49 N -3.56 4.05 0.25 1.99 1.75 -1.26 -0.84 119.30 121.68 1fkb s MET 49 Ca 0.02 -0.25 -0.30 0.00 -1.25 0.00 0.00 55.69 53.91 1fkb s MET 49 Cb 0.03 -3.56 -0.09 0.00 2.84 0.00 0.00 34.83 34.04 1fkb s MET 49 CO -0.10 0.01 1.28 -1.17 -0.65 0.00 0.00 175.02 174.39 1fkb s LEU 50 N 1.21 4.44 0.00 4.11 2.96 -0.20 -3.20 118.68 128.01 1fkb s LEU 50 Ca 0.08 2.47 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 1fkb s LEU 50 Cb -0.14 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1fkb s LEU 50 CO 0.06 -0.47 0.00 0.61 -1.32 0.00 0.00 176.35 175.23 1fkb n GLY 51 N 1.69 1.18 0.90 7.98 0.00 -1.26 -0.31 105.19 115.37 1fkb n GLY 51 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1fkb n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fkb n LYS 52 N -2.00 2.13 -3.14 1.61 4.76 -1.19 -4.93 118.16 115.40 1fkb n LYS 52 Ca 0.00 -1.76 -0.21 0.00 -2.87 0.00 0.00 58.31 53.47 1fkb n LYS 52 Cb 0.00 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 1fkb n LYS 52 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1fkb n GLN 53 N 0.94 -3.45 0.12 1.97 6.02 -1.26 -4.89 117.38 116.83 1fkb n GLN 53 Ca 0.16 0.57 -0.02 0.00 -0.01 0.00 0.00 57.00 57.71 1fkb n GLN 53 Cb 0.41 -5.29 0.12 0.00 1.02 0.00 0.00 30.24 26.50 1fkb n GLN 53 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1fkb h GLU 54 N -0.87 0.00 -5.51 -1.09 5.08 -1.92 -3.46 114.58 106.81 1fkb h GLU 54 Ca -0.42 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.41 1fkb h GLU 54 Cb 1.29 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.40 1fkb h GLU 54 CO 0.50 0.68 -0.64 0.14 -1.00 0.00 0.00 179.01 178.69 1fkb s VAL 55 N -3.40 1.66 0.74 3.13 -7.23 -1.26 -5.12 120.40 108.92 1fkb s VAL 55 Ca -0.01 -2.07 -0.15 0.00 -1.81 0.00 0.00 61.98 57.94 1fkb s VAL 55 Cb 0.12 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.38 1fkb s VAL 55 CO 0.77 -0.13 1.04 2.30 -0.31 0.00 0.00 175.10 178.77 1fkb n ILE 56 N -0.73 2.75 -0.30 -0.62 -5.35 -1.26 -4.72 119.36 109.13 1fkb n ILE 56 Ca -0.04 -0.34 0.04 0.00 -0.27 0.00 0.00 62.75 62.14 1fkb n ILE 56 Cb 0.65 -1.15 0.24 0.00 -1.74 0.00 0.00 39.64 37.64 1fkb n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fkb h ARG 57 N -0.37 0.99 -0.15 6.28 2.43 -1.83 -1.18 114.38 120.55 1fkb h ARG 57 Ca -0.47 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 1fkb h ARG 57 Cb 1.32 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1fkb h ARG 57 CO 0.47 0.66 0.04 0.78 -1.51 0.00 0.00 179.97 180.41 1fkb h GLY 58 N 1.02 0.21 0.89 2.80 0.00 -1.46 -0.05 103.07 106.48 1fkb h GLY 58 Ca 0.39 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.45 1fkb h GLY 58 CO -0.15 0.09 -0.70 1.49 0.00 0.00 0.00 176.54 177.27 1fkb h TRP 59 N 0.20 0.72 -0.52 5.60 4.06 -1.50 0.56 115.95 125.08 1fkb h TRP 59 Ca 0.05 -0.39 0.05 0.00 2.06 0.00 0.00 58.89 60.66 1fkb h TRP 59 Cb 0.07 -0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.10 1fkb h TRP 59 CO 0.00 1.21 0.26 0.93 -3.56 0.00 0.00 178.44 177.27 1fkb h GLU 60 N 0.03 0.48 0.10 0.49 4.39 -0.84 0.25 114.58 119.49 1fkb h GLU 60 Ca -0.09 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.32 1fkb h GLU 60 Cb 1.39 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1fkb h GLU 60 CO 0.14 0.32 -1.19 0.93 -1.16 0.00 0.00 179.01 178.04 1fkb h GLU 61 N 0.50 0.22 0.18 2.33 5.08 -1.13 -3.16 114.58 118.60 1fkb h GLU 61 Ca 0.23 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1fkb h GLU 61 Cb 0.15 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1fkb h GLU 61 CO -0.17 1.18 -0.08 0.78 -1.00 0.00 0.00 179.01 179.72 1fkb h GLY 62 N 1.84 -0.25 1.72 -3.84 0.00 -0.63 -3.29 103.07 98.62 1fkb h GLY 62 Ca -0.11 0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1fkb h GLY 62 CO 0.19 -0.09 -0.30 -2.08 0.00 0.00 0.00 176.54 174.26 1fkb h VAL 63 N -0.68 1.27 -0.19 4.60 2.07 -1.11 -2.68 116.25 119.53 1fkb h VAL 63 Ca -0.02 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.25 1fkb h VAL 63 Cb 0.49 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1fkb h VAL 63 CO 0.04 0.40 0.23 0.00 0.02 0.00 0.00 177.57 178.26 1fkb h ALA 64 N 1.40 1.77 -0.67 1.67 0.00 -1.61 -0.92 119.26 120.89 1fkb h ALA 64 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1fkb h ALA 64 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1fkb h ALA 64 CO 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.97 1fkb n GLN 65 N -3.68 3.39 -4.00 0.00 10.64 -1.01 -4.52 117.38 118.20 1fkb n GLN 65 Ca 0.02 -2.77 -0.32 0.00 -1.83 0.00 0.00 57.00 52.10 1fkb n GLN 65 Cb 0.35 -1.79 -0.06 0.00 -0.86 0.00 0.00 30.24 27.88 1fkb n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1fkb s MET 66 N -1.59 3.22 0.30 2.61 -1.94 -0.35 -5.10 119.30 116.44 1fkb s MET 66 Ca 0.50 -0.45 0.06 0.00 -1.71 0.00 0.00 55.69 54.09 1fkb s MET 66 Cb 0.30 -2.95 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 1fkb s MET 66 CO 0.27 0.64 0.39 -1.54 -0.01 0.00 0.00 175.02 174.77 1fkb s SER 67 N -2.01 5.93 0.21 3.03 1.04 -1.26 -4.12 113.70 116.53 1fkb s SER 67 Ca 0.27 -0.16 -0.32 0.00 0.48 0.00 0.00 55.95 56.21 1fkb s SER 67 Cb -0.12 -1.39 -0.12 0.00 0.10 0.00 0.00 66.02 64.48 1fkb s SER 67 CO 0.19 -0.28 1.67 0.52 0.98 0.00 0.00 173.24 176.32 1fkb n VAL 68 N -1.49 0.13 0.00 5.02 0.31 0.24 -1.65 118.33 120.89 1fkb n VAL 68 Ca -0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1fkb n VAL 68 Cb 0.58 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1fkb n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fkb n GLY 69 N 3.62 1.73 3.77 2.92 0.00 0.52 -1.36 105.19 116.39 1fkb n GLY 69 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1fkb n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fkb s GLN 70 N -0.94 4.22 -0.10 1.61 0.74 -0.66 -4.32 119.66 120.21 1fkb s GLN 70 Ca 0.00 1.65 0.03 0.00 0.05 0.00 0.00 55.36 57.09 1fkb s GLN 70 Cb 0.00 -2.70 -0.01 0.00 1.10 0.00 0.00 33.01 31.41 1fkb s GLN 70 CO 0.00 -0.12 -0.21 0.50 -0.55 0.00 0.00 175.29 174.91 1fkb s ARG 71 N -2.25 3.09 0.02 1.67 3.52 -0.23 -1.14 118.95 123.64 1fkb s ARG 71 Ca 0.55 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 1fkb s ARG 71 Cb -0.26 -2.38 -0.02 0.00 -1.56 0.00 0.00 34.95 30.73 1fkb s ARG 71 CO 0.33 0.22 0.00 0.00 -0.81 0.00 0.00 175.30 175.04 1fkb s ALA 72 N 0.28 0.10 -0.24 6.12 0.00 0.14 0.11 121.76 128.27 1fkb s ALA 72 Ca -0.15 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 1fkb s ALA 72 Cb -0.17 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1fkb s ALA 72 CO 0.07 -0.21 0.46 0.21 0.00 0.00 0.00 175.76 176.30 1fkb s LYS 73 N -1.89 4.10 -0.26 0.00 2.20 0.22 -1.26 119.74 122.86 1fkb s LYS 73 Ca -0.12 0.26 -0.08 0.00 -0.36 0.00 0.00 55.97 55.67 1fkb s LYS 73 Cb -0.06 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 1fkb s LYS 73 CO -0.02 -0.23 0.10 -0.51 -0.36 0.00 0.00 175.35 174.33 1fkb s LEU 74 N 1.92 3.60 -0.23 5.43 1.02 0.37 -0.68 118.68 130.12 1fkb s LEU 74 Ca 0.20 -0.17 -0.08 0.00 0.02 0.00 0.00 54.13 54.10 1fkb s LEU 74 Cb -0.15 -1.97 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 1fkb s LEU 74 CO 0.09 -0.04 0.09 -0.89 0.02 0.00 0.00 176.35 175.61 1fkb s THR 75 N 1.65 4.66 -0.12 5.49 2.01 -0.54 -1.35 115.64 127.44 1fkb s THR 75 Ca 0.06 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1fkb s THR 75 Cb -0.15 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.22 1fkb s THR 75 CO 0.05 0.37 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.55 1fkb s ILE 76 N 1.15 1.67 0.68 1.82 1.01 0.24 -1.20 121.20 126.57 1fkb s ILE 76 Ca 0.05 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 1fkb s ILE 76 Cb -0.14 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1fkb s ILE 76 CO 0.04 0.47 1.07 -0.94 0.00 0.00 0.00 174.94 175.58 1fkb s SER 77 N 0.95 5.31 0.36 3.58 1.04 -0.37 -1.54 113.70 123.03 1fkb s SER 77 Ca -0.06 1.72 0.06 0.00 0.48 0.00 0.00 55.95 58.15 1fkb s SER 77 Cb -0.15 -2.51 0.75 0.00 0.10 0.00 0.00 66.02 64.20 1fkb s SER 77 CO -0.02 -1.49 1.95 -0.65 0.98 0.00 0.00 173.24 174.01 1fkb h PRO 78 N -0.46 0.73 0.00 4.02 0.11 -1.89 0.60 132.00 135.10 1fkb h PRO 78 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1fkb h PRO 78 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1fkb h PRO 78 CO 0.56 0.48 0.00 0.38 -0.21 0.00 0.00 178.00 179.21 1fkb h ASP 79 N 0.75 0.00 -0.46 -2.05 2.03 -1.91 0.35 116.42 115.13 1fkb h ASP 79 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1fkb h ASP 79 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1fkb h ASP 79 CO -0.11 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.88 1fkb n TYR 80 N -2.32 0.60 0.00 4.15 4.02 0.19 -4.86 117.16 118.94 1fkb n TYR 80 Ca 0.01 -0.36 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 1fkb n TYR 80 Cb 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1fkb n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkb n ALA 81 N 1.29 0.00 0.43 -0.72 0.00 -0.67 -1.10 120.51 119.74 1fkb n ALA 81 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.71 1fkb n ALA 81 Cb 0.55 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.11 1fkb n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fkb n TYR 82 N 0.00 0.18 -4.78 0.00 4.01 -1.12 -4.80 117.16 110.66 1fkb n TYR 82 Ca 0.00 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1fkb n TYR 82 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1fkb n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fkb n GLY 83 N 0.93 1.26 0.02 2.72 0.00 0.11 -1.52 105.19 108.72 1fkb n GLY 83 Ca 0.11 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.63 1fkb n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fkb n ALA 84 N 6.20 2.36 -0.05 4.61 0.00 -1.26 -0.71 120.51 131.66 1fkb n ALA 84 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1fkb n ALA 84 Cb 0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.85 1fkb n ALA 84 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1fkb n THR 85 N -1.63 1.57 -4.10 0.00 5.66 -1.20 -4.42 114.28 110.16 1fkb n THR 85 Ca 0.07 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.31 1fkb n THR 85 Cb 0.36 -1.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 1fkb n THR 85 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1fkb n GLY 86 N 1.79 -1.96 3.08 1.09 0.00 -0.57 -4.31 105.19 104.30 1fkb n GLY 86 Ca -0.28 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 1fkb n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fkb s HIS 87 N 0.00 3.26 -0.03 1.61 2.46 0.13 -4.89 115.29 117.83 1fkb s HIS 87 Ca 0.00 -2.28 -0.38 0.00 0.47 0.00 0.00 55.06 52.88 1fkb s HIS 87 Cb 0.00 -1.94 -0.16 0.00 -0.13 0.00 0.00 32.58 30.34 1fkb s HIS 87 CO 0.00 -0.87 1.46 -0.35 -2.47 0.00 0.00 174.74 172.51 1fkb n PRO 88 N 4.45 1.13 0.00 2.88 -0.04 -1.26 -0.64 135.00 141.52 1fkb n PRO 88 Ca -0.14 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1fkb n PRO 88 Cb 0.42 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1fkb n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fkb n GLY 89 N 3.01 3.17 1.31 0.55 0.00 -1.26 -4.72 105.19 107.25 1fkb n GLY 89 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1fkb n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fkb n ILE 90 N -1.87 0.60 -4.26 -0.61 2.08 -0.18 -5.04 119.36 110.08 1fkb n ILE 90 Ca 0.00 0.20 -0.34 0.00 0.56 0.00 0.00 62.75 63.17 1fkb n ILE 90 Cb 0.00 -1.25 -0.14 0.00 -0.75 0.00 0.00 39.64 37.50 1fkb n ILE 90 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1fkb s ILE 91 N -2.00 3.28 0.84 1.39 -1.09 0.19 -4.95 121.20 118.86 1fkb s ILE 91 Ca 0.00 -0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 57.76 1fkb s ILE 91 Cb 0.00 -2.44 0.10 0.00 -1.58 0.00 0.00 42.46 38.53 1fkb s ILE 91 CO 0.00 0.47 1.09 -2.84 -1.23 0.00 0.00 174.94 172.43 1fkb s PRO 92 N 0.95 1.68 0.39 2.79 0.02 -1.26 -0.70 135.00 138.88 1fkb s PRO 92 Ca -0.01 0.97 -0.25 0.00 0.02 0.00 0.00 61.00 61.72 1fkb s PRO 92 Cb -0.15 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 1fkb s PRO 92 CO 0.00 -1.99 1.08 -2.30 -0.33 0.00 0.00 177.00 173.46 1fkb n PRO 93 N -3.73 1.51 -3.27 5.54 -0.02 -1.26 -3.21 135.00 130.57 1fkb n PRO 93 Ca 0.08 0.54 -0.23 0.00 -2.02 0.00 0.00 63.50 61.87 1fkb n PRO 93 Cb 0.54 -2.09 0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1fkb n PRO 93 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1fkb n HIS 94 N -0.27 -2.37 -3.36 6.00 -0.00 0.11 -4.95 115.22 110.39 1fkb n HIS 94 Ca 0.08 0.74 -0.38 0.00 -0.00 0.00 0.00 57.72 58.16 1fkb n HIS 94 Cb 0.38 -4.74 -0.06 0.00 -0.00 0.00 0.00 29.99 25.57 1fkb n HIS 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fkb s ALA 95 N -3.24 3.54 0.05 1.57 0.00 -1.20 -4.86 121.76 117.62 1fkb s ALA 95 Ca 0.43 -0.18 -0.28 0.00 0.00 0.00 0.00 51.96 51.93 1fkb s ALA 95 Cb -0.19 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1fkb s ALA 95 CO 0.53 0.17 0.88 0.99 0.00 0.00 0.00 175.76 178.32 1fkb s THR 96 N 0.01 4.71 -0.05 0.00 2.01 -1.26 -3.62 115.64 117.44 1fkb s THR 96 Ca 0.26 1.87 0.03 0.00 0.31 0.00 0.00 61.69 64.16 1fkb s THR 96 Cb -0.16 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 1fkb s THR 96 CO 0.12 0.29 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.44 1fkb s LEU 97 N 0.31 2.76 -0.12 4.42 1.43 -0.59 -1.15 118.68 125.75 1fkb s LEU 97 Ca 0.45 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1fkb s LEU 97 Cb -0.21 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1fkb s LEU 97 CO 0.26 0.35 -0.22 0.54 0.23 0.00 0.00 176.35 177.50 1fkb s VAL 98 N -0.74 2.13 -0.03 -1.59 0.11 -0.30 -0.59 120.40 119.39 1fkb s VAL 98 Ca 0.12 -0.98 0.06 0.00 -2.93 0.00 0.00 61.98 58.25 1fkb s VAL 98 Cb -0.11 -1.83 -0.02 0.00 -1.53 0.00 0.00 36.38 32.89 1fkb s VAL 98 CO 0.01 0.55 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.75 1fkb s PHE 99 N 0.51 2.48 -0.32 1.54 0.40 -0.46 -1.22 117.98 120.92 1fkb s PHE 99 Ca -0.14 -0.33 -0.14 0.00 -0.60 0.00 0.00 56.93 55.72 1fkb s PHE 99 Cb -0.17 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 1fkb s PHE 99 CO 0.05 0.05 0.30 0.34 0.70 0.00 0.00 175.22 176.66 1fkb s ASP 100 N -0.66 6.13 -0.07 1.36 -1.08 -0.05 -0.48 116.67 121.82 1fkb s ASP 100 Ca 0.11 -0.17 0.03 0.00 -0.52 0.00 0.00 52.55 51.99 1fkb s ASP 100 Cb -0.10 -2.17 0.01 0.00 -1.46 0.00 0.00 42.92 39.20 1fkb s ASP 100 CO -0.00 -0.24 -0.15 -0.69 0.52 0.00 0.00 175.17 174.61 1fkb s VAL 101 N 1.90 1.31 -0.21 1.11 1.01 -0.38 -1.88 120.40 123.25 1fkb s VAL 101 Ca 0.10 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1fkb s VAL 101 Cb -0.17 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1fkb s VAL 101 CO 0.11 0.39 -0.14 -0.70 0.00 0.00 0.00 175.10 174.76 1fkb s GLU 102 N 0.52 2.95 -0.62 2.72 2.12 -0.09 -0.68 118.70 125.63 1fkb s GLU 102 Ca -0.14 -0.87 -0.24 0.00 0.36 0.00 0.00 54.97 54.08 1fkb s GLU 102 Cb -0.15 -2.74 0.05 0.00 0.26 0.00 0.00 34.13 31.54 1fkb s GLU 102 CO 0.04 -0.28 0.99 -1.17 -0.54 0.00 0.00 175.26 174.31 1fkb s LEU 103 N 1.31 4.10 -0.01 2.70 2.96 -0.29 -1.73 118.68 127.72 1fkb s LEU 103 Ca 0.03 -0.61 -0.22 0.00 -0.22 0.00 0.00 54.13 53.11 1fkb s LEU 103 Cb -0.15 -2.64 -0.21 0.00 0.50 0.00 0.00 46.19 43.69 1fkb s LEU 103 CO -0.09 -1.39 1.12 -0.07 -1.32 0.00 0.00 176.35 174.60 1fkb h LEU 104 N 11.38 0.38 -7.00 -0.68 3.38 -0.93 0.15 115.31 121.99 1fkb h LEU 104 Ca -0.27 -0.71 0.10 0.00 0.09 0.00 0.00 57.88 57.09 1fkb h LEU 104 Cb 1.07 -0.11 -0.20 0.00 0.09 0.00 0.00 40.66 41.50 1fkb h LEU 104 CO 1.15 1.03 0.54 -0.75 0.09 0.00 0.00 178.44 180.50 1fkb s LYS 105 N -3.41 0.65 -0.04 1.13 2.20 -1.14 -4.55 119.74 114.58 1fkb s LYS 105 Ca -0.14 -0.01 0.05 0.00 -0.36 0.00 0.00 55.97 55.50 1fkb s LYS 105 Cb 0.03 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1fkb s LYS 105 CO 0.78 -0.24 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.85 1fkb s LEU 106 N -1.62 2.62 0.00 5.43 1.43 -1.26 -0.62 118.68 124.66 1fkb s LEU 106 Ca 0.01 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1fkb s LEU 106 Cb -0.01 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.69 1fkb s LEU 106 CO -0.02 0.33 0.29 -0.62 0.23 0.00 0.00 176.35 176.56