#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkr s VAL 2 N 0.00 2.98 0.13 1.61 0.11 -1.26 -3.62 120.40 120.34 1fkr s VAL 2 Ca 0.00 -1.46 0.09 0.00 -2.93 0.00 0.00 61.98 57.67 1fkr s VAL 2 Cb 0.00 -2.38 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 1fkr s VAL 2 CO 0.00 0.09 -0.21 -1.58 -3.33 0.00 0.00 175.10 170.07 1fkr s GLN 3 N -2.20 1.22 -0.20 1.54 0.74 -0.89 -4.99 119.66 114.89 1fkr s GLN 3 Ca 0.19 -1.28 0.01 0.00 0.05 0.00 0.00 55.36 54.33 1fkr s GLN 3 Cb -0.11 -1.44 0.04 0.00 1.10 0.00 0.00 33.01 32.60 1fkr s GLN 3 CO 0.11 0.32 -0.13 0.08 -0.55 0.00 0.00 175.29 175.13 1fkr s VAL 4 N -1.46 1.76 -0.41 1.34 1.01 -1.26 -2.44 120.40 118.94 1fkr s VAL 4 Ca 0.11 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1fkr s VAL 4 Cb -0.09 -1.77 0.11 0.00 0.00 0.00 0.00 36.38 34.63 1fkr s VAL 4 CO 0.05 0.25 0.15 -0.70 0.00 0.00 0.00 175.10 174.86 1fkr s GLU 5 N 1.36 1.77 0.69 2.72 2.12 -0.81 -5.00 118.70 121.55 1fkr s GLU 5 Ca -0.00 -2.04 -0.14 0.00 0.36 0.00 0.00 54.97 53.16 1fkr s GLU 5 Cb -0.16 -3.36 0.02 0.00 0.26 0.00 0.00 34.13 30.89 1fkr s GLU 5 CO -0.09 -1.02 1.10 0.99 -0.54 0.00 0.00 175.26 175.71 1fkr s THR 6 N 0.69 3.27 0.10 -1.70 2.01 -1.26 -0.77 115.64 117.97 1fkr s THR 6 Ca 0.12 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1fkr s THR 6 Cb -0.21 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1fkr s THR 6 CO -0.05 -0.42 0.00 -0.38 -0.69 0.00 0.00 174.62 173.08 1fkr n ILE 7 N -2.75 0.98 -3.88 1.82 5.41 -0.22 -4.85 119.36 115.87 1fkr n ILE 7 Ca 0.10 0.33 -0.29 0.00 1.00 0.00 0.00 62.75 63.89 1fkr n ILE 7 Cb 0.52 -1.50 -0.13 0.00 -0.71 0.00 0.00 39.64 37.82 1fkr n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1fkr s SER 8 N -5.79 4.40 0.81 4.38 0.01 -1.05 -5.01 113.70 111.45 1fkr s SER 8 Ca 0.00 -3.42 -0.17 0.00 1.31 0.00 0.00 55.95 53.67 1fkr s SER 8 Cb 0.00 -1.54 -0.14 0.00 0.21 0.00 0.00 66.02 64.55 1fkr s SER 8 CO 0.00 -0.16 -0.89 -2.65 0.41 0.00 0.00 173.24 169.95 1fkr n PRO 9 N 2.55 0.00 -3.00 12.44 -0.02 -1.26 -2.40 135.00 143.31 1fkr n PRO 9 Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1fkr n PRO 9 Cb 0.34 -0.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.99 1fkr n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fkr n GLY 10 N 2.84 3.94 0.41 -1.23 0.00 -1.26 -4.46 105.19 105.44 1fkr n GLY 10 Ca -0.02 -2.24 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 1fkr n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fkr n ASP 11 N -1.20 -1.04 0.00 1.61 5.75 -1.26 -4.81 116.55 115.61 1fkr n ASP 11 Ca -0.07 1.75 0.00 0.00 -0.01 0.00 0.00 54.79 56.46 1fkr n ASP 11 Cb 0.24 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1fkr n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkr n GLY 12 N -1.25 1.16 0.00 6.12 0.00 -1.26 -4.95 105.19 105.01 1fkr n GLY 12 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1fkr n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkr n ARG 13 N -1.68 0.35 -4.41 1.61 1.74 -1.26 -5.07 116.66 107.94 1fkr n ARG 13 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1fkr n ARG 13 Cb 0.00 -0.79 -0.11 0.00 -1.02 0.00 0.00 32.46 30.54 1fkr n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fkr s THR 14 N -1.59 4.07 0.39 0.55 2.01 -1.26 -5.08 115.64 114.73 1fkr s THR 14 Ca 0.00 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.72 1fkr s THR 14 Cb 0.00 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1fkr s THR 14 CO 0.00 0.55 0.14 -0.36 -0.69 0.00 0.00 174.62 174.25 1fkr s PHE 15 N -0.29 1.78 0.66 4.92 0.40 -1.26 -1.40 117.98 122.79 1fkr s PHE 15 Ca 0.05 -1.29 -0.16 0.00 -0.60 0.00 0.00 56.93 54.93 1fkr s PHE 15 Cb -0.12 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.29 1fkr s PHE 15 CO 0.02 -0.33 1.17 -2.14 0.70 0.00 0.00 175.22 174.64 1fkr s PRO 16 N -3.72 2.64 0.39 0.24 0.02 -1.26 -4.87 135.00 128.44 1fkr s PRO 16 Ca 0.27 1.63 0.06 0.00 0.02 0.00 0.00 61.00 62.97 1fkr s PRO 16 Cb 0.03 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.57 1fkr s PRO 16 CO 0.16 -1.42 0.03 0.15 -0.33 0.00 0.00 177.00 175.58 1fkr s LYS 17 N -3.81 1.89 -0.81 5.54 -0.14 -1.26 -5.03 119.74 116.12 1fkr s LYS 17 Ca 0.72 -2.08 -0.26 0.00 -1.36 0.00 0.00 55.97 53.00 1fkr s LYS 17 Cb -0.26 -1.38 0.03 0.00 -1.68 0.00 0.00 37.83 34.54 1fkr s LYS 17 CO 0.40 -0.13 1.43 1.03 -0.76 0.00 0.00 175.35 177.33 1fkr s ARG 18 N -3.78 3.20 0.00 1.68 0.52 -1.26 -2.33 118.95 116.98 1fkr s ARG 18 Ca 0.33 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 1fkr s ARG 18 Cb 0.09 -4.58 0.00 0.00 0.52 0.00 0.00 34.95 30.97 1fkr s ARG 18 CO 0.16 -2.31 0.00 0.41 0.02 0.00 0.00 175.30 173.58 1fkr n GLY 19 N 5.92 0.70 3.75 -3.53 0.00 -1.25 -5.09 105.19 105.69 1fkr n GLY 19 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1fkr n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fkr s GLN 20 N 0.00 2.20 -0.23 1.61 -1.52 -0.98 -5.05 119.66 115.68 1fkr s GLN 20 Ca 0.00 -1.96 0.02 0.00 -1.95 0.00 0.00 55.36 51.47 1fkr s GLN 20 Cb 0.00 -1.91 0.05 0.00 -0.22 0.00 0.00 33.01 30.93 1fkr s GLN 20 CO 0.00 -0.20 -0.11 0.99 -0.25 0.00 0.00 175.29 175.72 1fkr s THR 21 N -2.67 1.94 0.48 -0.19 2.01 -1.26 -3.39 115.64 112.57 1fkr s THR 21 Ca 0.35 -1.35 -0.22 0.00 0.31 0.00 0.00 61.69 60.79 1fkr s THR 21 Cb 0.03 -2.03 -0.07 0.00 0.01 0.00 0.00 72.50 70.45 1fkr s THR 21 CO 0.20 0.07 1.16 0.00 -0.69 0.00 0.00 174.62 175.36 1fkr s VAL 23 N -1.60 1.80 0.14 0.00 1.01 0.47 -1.68 120.40 120.54 1fkr s VAL 23 Ca 0.66 -1.25 0.10 0.00 0.00 0.00 0.00 61.98 61.49 1fkr s VAL 23 Cb -0.28 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1fkr s VAL 23 CO 0.33 0.06 -0.23 0.68 0.00 0.00 0.00 175.10 175.94 1fkr s VAL 24 N 1.30 2.03 -0.35 2.92 -7.23 -0.17 -0.08 120.40 118.81 1fkr s VAL 24 Ca -0.04 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 58.40 1fkr s VAL 24 Cb -0.18 -1.85 0.10 0.00 0.56 0.00 0.00 36.38 35.01 1fkr s VAL 24 CO -0.07 -0.06 0.07 -1.00 -0.31 0.00 0.00 175.10 173.73 1fkr s HIS 25 N -1.36 3.66 0.33 2.82 3.76 -0.82 -2.32 115.29 121.36 1fkr s HIS 25 Ca 0.13 -2.98 0.03 0.00 -0.15 0.00 0.00 55.06 52.09 1fkr s HIS 25 Cb -0.09 -2.88 -0.04 0.00 1.11 0.00 0.00 32.58 30.68 1fkr s HIS 25 CO 0.06 -0.93 0.12 1.52 -0.85 0.00 0.00 174.74 174.66 1fkr s TYR 26 N 0.83 1.72 -0.10 1.40 1.13 -1.26 -1.39 117.35 119.67 1fkr s TYR 26 Ca 0.11 -1.23 -0.02 0.00 -1.41 0.00 0.00 57.07 54.53 1fkr s TYR 26 Cb -0.19 -1.04 0.03 0.00 -1.10 0.00 0.00 41.96 39.66 1fkr s TYR 26 CO -0.08 -0.32 0.00 0.99 -2.51 0.00 0.00 175.55 173.64 1fkr s THR 27 N -3.45 0.47 -0.25 -3.49 2.01 -1.09 -2.14 115.64 107.70 1fkr s THR 27 Ca 0.33 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 1fkr s THR 27 Cb 0.06 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 1fkr s THR 27 CO 0.16 0.17 0.10 -0.83 -0.69 0.00 0.00 174.62 173.53 1fkr s GLY 28 N 1.92 1.81 0.02 4.40 0.00 0.54 -2.00 107.32 114.01 1fkr s GLY 28 Ca 0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 1fkr s GLY 28 CO -0.06 0.52 0.01 -0.29 0.00 0.00 0.00 173.10 173.28 1fkr s MET 29 N 1.55 0.38 0.22 2.90 1.75 -0.60 -2.93 119.30 122.57 1fkr s MET 29 Ca 0.06 -0.63 -0.06 0.00 -1.25 0.00 0.00 55.69 53.82 1fkr s MET 29 Cb -0.15 0.14 -0.06 0.00 2.84 0.00 0.00 34.83 37.60 1fkr s MET 29 CO 0.05 -0.07 0.49 -0.51 -0.65 0.00 0.00 175.02 174.33 1fkr s LEU 30 N -1.59 4.16 -0.29 4.11 1.02 -1.18 -1.94 118.68 122.97 1fkr s LEU 30 Ca -0.14 0.72 0.01 0.00 0.02 0.00 0.00 54.13 54.74 1fkr s LEU 30 Cb -0.08 -3.49 0.30 0.00 0.02 0.00 0.00 46.19 42.94 1fkr s LEU 30 CO -0.01 -0.08 1.73 -1.84 0.02 0.00 0.00 176.35 176.17 1fkr n GLU 31 N -0.39 1.76 0.00 1.70 0.28 -1.26 -3.53 120.64 119.20 1fkr n GLU 31 Ca -0.01 -1.65 0.00 0.00 -0.16 0.00 0.00 57.16 55.34 1fkr n GLU 31 Cb 0.53 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.75 1fkr n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1fkr n ASP 32 N -0.09 4.74 0.00 -1.84 5.68 -1.26 -5.09 116.55 118.69 1fkr n ASP 32 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 1fkr n ASP 32 Cb 0.87 0.64 0.00 0.00 -1.14 0.00 0.00 41.12 41.49 1fkr n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fkr n GLY 33 N 2.70 1.61 3.52 6.12 0.00 -1.23 -5.17 105.19 112.73 1fkr n GLY 33 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1fkr n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkr s LYS 34 N 0.00 1.90 0.16 1.61 -0.14 -1.26 -5.00 119.74 117.01 1fkr s LYS 34 Ca 0.00 -2.15 -0.08 0.00 -1.36 0.00 0.00 55.97 52.38 1fkr s LYS 34 Cb 0.00 -0.68 -0.06 0.00 -1.68 0.00 0.00 37.83 35.41 1fkr s LYS 34 CO 0.00 -0.43 0.46 -1.59 -0.76 0.00 0.00 175.35 173.02 1fkr s LYS 35 N -3.75 3.75 0.00 1.68 -2.85 -1.26 -3.12 119.74 114.19 1fkr s LYS 35 Ca 0.25 0.15 0.00 0.00 -1.00 0.00 0.00 55.97 55.37 1fkr s LYS 35 Cb 0.03 -2.82 0.00 0.00 -2.06 0.00 0.00 37.83 32.99 1fkr s LYS 35 CO 0.14 0.44 0.00 1.97 0.10 0.00 0.00 175.35 178.00 1fkr n PHE 36 N 0.26 0.00 -3.75 1.78 -1.74 -1.24 -4.85 117.46 107.91 1fkr n PHE 36 Ca -0.03 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.65 1fkr n PHE 36 Cb 0.52 0.00 -0.18 0.00 1.52 0.00 0.00 39.48 41.35 1fkr n PHE 36 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1fkr s ASP 37 N -1.88 1.22 0.19 5.98 -1.08 -1.15 -5.00 116.67 114.95 1fkr s ASP 37 Ca 0.00 -0.01 0.04 0.00 -0.52 0.00 0.00 52.55 52.07 1fkr s ASP 37 Cb 0.00 -0.28 -0.05 0.00 -1.46 0.00 0.00 42.92 41.13 1fkr s ASP 37 CO 0.00 -0.20 -0.06 -0.44 0.52 0.00 0.00 175.17 174.98 1fkr s SER 38 N 1.91 1.92 -0.77 -0.34 0.01 -1.26 0.20 113.70 115.38 1fkr s SER 38 Ca 0.03 -1.10 -0.02 0.00 1.31 0.00 0.00 55.95 56.17 1fkr s SER 38 Cb -0.12 -0.02 0.39 0.00 0.21 0.00 0.00 66.02 66.48 1fkr s SER 38 CO -0.04 -0.39 2.00 -1.54 0.41 0.00 0.00 173.24 173.68 1fkr n SER 39 N -0.32 7.51 -0.23 2.44 3.41 -0.91 -4.81 113.62 120.70 1fkr n SER 39 Ca -0.08 -3.82 0.20 0.00 -0.26 0.00 0.00 58.87 54.92 1fkr n SER 39 Cb 0.62 -1.01 0.34 0.00 -0.26 0.00 0.00 64.21 63.89 1fkr n SER 39 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1fkr n ARG 40 N -0.68 -0.02 0.00 4.33 3.00 -1.26 -1.74 116.66 120.29 1fkr n ARG 40 Ca 0.57 0.62 0.00 0.00 -0.00 0.00 0.00 57.85 59.04 1fkr n ARG 40 Cb 0.41 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.64 1fkr n ARG 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1fkr n ASP 41 N -3.66 0.00 0.00 6.15 8.00 -1.26 -4.51 116.55 121.27 1fkr n ASP 41 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1fkr n ASP 41 Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 1fkr n ASP 41 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1fkr n ARG 42 N 0.03 0.00 -0.13 -1.24 1.74 -0.71 -0.16 116.66 116.18 1fkr n ARG 42 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1fkr n ARG 42 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1fkr n ARG 42 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1fkr h ASN 43 N 0.00 -1.10 -2.43 0.55 -0.26 -1.91 -3.26 115.58 107.17 1fkr h ASN 43 Ca 0.00 0.15 -0.60 0.00 -0.56 0.00 0.00 56.30 55.29 1fkr h ASN 43 Cb 0.00 0.46 -0.42 0.00 -1.06 0.00 0.00 38.32 37.31 1fkr h ASN 43 CO 0.00 -0.19 -0.65 2.29 -1.06 0.00 0.00 177.43 177.82 1fkr n LYS 44 N -4.21 2.08 0.00 0.81 2.85 0.77 -5.11 118.16 115.35 1fkr n LYS 44 Ca -0.01 -4.44 0.00 0.00 -1.05 0.00 0.00 58.31 52.81 1fkr n LYS 44 Cb 0.17 -2.15 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 1fkr n LYS 44 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1fkr n PRO 45 N 1.29 3.42 -3.35 -1.58 -0.02 -0.72 -4.89 135.00 129.16 1fkr n PRO 45 Ca 0.26 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.36 1fkr n PRO 45 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.83 1fkr n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1fkr s PHE 46 N 0.00 3.66 0.02 6.00 5.36 -0.98 -4.89 117.98 127.15 1fkr s PHE 46 Ca 0.00 1.04 0.03 0.00 -0.96 0.00 0.00 56.93 57.04 1fkr s PHE 46 Cb 0.00 -2.47 -0.01 0.00 -0.34 0.00 0.00 43.02 40.19 1fkr s PHE 46 CO 0.00 0.42 -0.10 0.15 -1.46 0.00 0.00 175.22 174.23 1fkr s LYS 47 N -0.33 0.72 0.30 10.12 1.02 -1.26 -1.00 119.74 129.30 1fkr s LYS 47 Ca 0.27 -0.54 -0.07 0.00 0.02 0.00 0.00 55.97 55.66 1fkr s LYS 47 Cb -0.17 -0.66 -0.00 0.00 -0.52 0.00 0.00 37.83 36.48 1fkr s LYS 47 CO 0.14 0.17 0.45 -0.59 -0.92 0.00 0.00 175.35 174.60 1fkr s PHE 48 N -0.64 0.79 0.01 3.18 -0.12 -0.67 -4.98 117.98 115.55 1fkr s PHE 48 Ca -0.00 -1.08 0.07 0.00 -0.05 0.00 0.00 56.93 55.87 1fkr s PHE 48 Cb -0.06 0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 42.31 1fkr s PHE 48 CO 0.00 -1.06 -0.22 1.41 -0.05 0.00 0.00 175.22 175.31 1fkr s MET 49 N -3.47 2.06 -0.25 1.99 -2.45 -1.26 0.16 119.30 116.09 1fkr s MET 49 Ca 0.28 -0.96 -0.19 0.00 -1.25 0.00 0.00 55.69 53.56 1fkr s MET 49 Cb 0.00 -2.11 -0.02 0.00 1.25 0.00 0.00 34.83 33.94 1fkr s MET 49 CO 0.15 0.55 0.57 -1.17 1.05 0.00 0.00 175.02 176.17 1fkr s LEU 50 N -1.05 4.07 0.00 4.11 2.96 -1.22 -3.98 118.68 123.57 1fkr s LEU 50 Ca 0.12 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 1fkr s LEU 50 Cb -0.10 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1fkr s LEU 50 CO 0.02 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.35 1fkr n GLY 51 N 4.21 1.42 1.29 7.98 0.00 -1.26 -3.82 105.19 115.00 1fkr n GLY 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1fkr n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fkr n LYS 52 N -1.58 0.00 0.00 1.61 3.00 -1.26 -5.04 118.16 114.89 1fkr n LYS 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1fkr n LYS 52 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 35.03 34.66 1fkr n LYS 52 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1fkr n GLN 53 N -3.24 0.00 -0.06 1.64 7.27 -1.26 -5.06 117.38 116.66 1fkr n GLN 53 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 1fkr n GLN 53 Cb 0.15 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.73 1fkr n GLN 53 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1fkr n GLU 54 N 0.00 1.05 -4.19 3.69 1.02 -1.26 -5.00 120.64 115.95 1fkr n GLU 54 Ca 0.00 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.90 1fkr n GLU 54 Cb 0.00 -1.28 -0.09 0.00 -0.02 0.00 0.00 31.44 30.05 1fkr n GLU 54 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1fkr s VAL 55 N -2.28 3.67 1.01 2.62 -7.23 -1.26 -5.07 120.40 111.87 1fkr s VAL 55 Ca -0.14 -1.26 -0.17 0.00 -1.81 0.00 0.00 61.98 58.61 1fkr s VAL 55 Cb 0.04 -2.78 0.09 0.00 0.56 0.00 0.00 36.38 34.29 1fkr s VAL 55 CO 0.37 0.03 -0.08 2.30 -0.31 0.00 0.00 175.10 177.41 1fkr n ILE 56 N 0.35 0.00 0.17 -0.62 -5.35 -1.26 -4.53 119.36 108.12 1fkr n ILE 56 Ca -0.11 -0.11 -0.07 0.00 -0.27 0.00 0.00 62.75 62.18 1fkr n ILE 56 Cb 0.53 -0.42 -0.03 0.00 -1.74 0.00 0.00 39.64 37.97 1fkr n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fkr h ARG 57 N -2.20 -0.46 -0.67 6.28 2.43 -1.90 -2.32 114.38 115.53 1fkr h ARG 57 Ca -0.35 0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.08 1fkr h ARG 57 Cb 1.00 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 1fkr h ARG 57 CO 0.23 -0.31 0.45 0.41 -1.51 0.00 0.00 179.97 179.23 1fkr n GLY 58 N 0.13 -0.39 0.00 2.80 0.00 -1.09 -0.02 105.19 106.62 1fkr n GLY 58 Ca -0.06 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1fkr n GLY 58 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fkr n TRP 59 N -3.39 0.00 -0.26 1.61 7.02 -1.20 -0.56 117.44 120.67 1fkr n TRP 59 Ca 0.18 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.69 1fkr n TRP 59 Cb 0.74 -0.25 0.07 0.00 -2.42 0.00 0.00 31.31 29.45 1fkr n TRP 59 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1fkr n GLU 60 N -1.37 -0.10 0.08 -0.99 0.00 0.82 0.23 120.64 119.31 1fkr n GLU 60 Ca 0.00 1.08 -0.10 0.00 0.00 0.00 0.00 57.16 58.13 1fkr n GLU 60 Cb 0.00 -1.60 -0.07 0.00 0.00 0.00 0.00 31.44 29.77 1fkr n GLU 60 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1fkr h GLU 61 N 0.00 -0.26 0.00 5.31 4.57 -0.62 -2.47 114.58 121.11 1fkr h GLU 61 Ca 0.30 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1fkr h GLU 61 Cb 0.48 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1fkr h GLU 61 CO -0.71 0.11 0.00 0.41 -1.18 0.00 0.00 179.01 177.65 1fkr n GLY 62 N 0.57 -2.75 0.35 1.92 0.00 0.20 -1.93 105.19 103.54 1fkr n GLY 62 Ca -0.07 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1fkr n GLY 62 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fkr n VAL 63 N -1.79 -0.41 -0.06 1.61 0.31 0.63 -0.72 118.33 117.90 1fkr n VAL 63 Ca 0.00 2.23 -0.12 0.00 -0.01 0.00 0.00 64.34 66.44 1fkr n VAL 63 Cb 0.00 -3.11 -0.08 0.00 -0.91 0.00 0.00 33.84 29.75 1fkr n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fkr h ALA 64 N 1.96 -0.74 0.00 3.52 0.00 -1.29 0.58 119.26 123.29 1fkr h ALA 64 Ca 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1fkr h ALA 64 Cb 0.78 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1fkr h ALA 64 CO -1.00 -0.93 0.37 0.94 0.00 0.00 0.00 179.25 178.63 1fkr n GLN 65 N -4.83 0.04 -4.17 0.00 7.27 0.11 -4.39 117.38 111.41 1fkr n GLN 65 Ca -0.04 0.39 -0.25 0.00 0.07 0.00 0.00 57.00 57.17 1fkr n GLN 65 Cb 0.29 -1.99 -0.07 0.00 2.41 0.00 0.00 30.24 30.88 1fkr n GLN 65 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1fkr s MET 66 N -2.86 2.60 0.29 3.69 1.75 0.20 -5.09 119.30 119.88 1fkr s MET 66 Ca -0.01 -1.07 0.09 0.00 -1.25 0.00 0.00 55.69 53.45 1fkr s MET 66 Cb 0.01 -2.44 -0.04 0.00 2.84 0.00 0.00 34.83 35.20 1fkr s MET 66 CO 0.05 0.45 0.09 -1.54 -0.65 0.00 0.00 175.02 173.41 1fkr s SER 67 N -3.19 4.80 -0.50 1.11 1.04 -1.26 -4.57 113.70 111.13 1fkr s SER 67 Ca 0.30 -0.60 -0.28 0.00 0.48 0.00 0.00 55.95 55.84 1fkr s SER 67 Cb -0.09 -0.92 -0.09 0.00 0.10 0.00 0.00 66.02 65.02 1fkr s SER 67 CO 0.21 -0.11 2.40 0.52 0.98 0.00 0.00 173.24 177.24 1fkr n VAL 68 N -1.05 0.02 0.00 5.02 0.31 -0.49 -0.94 118.33 121.20 1fkr n VAL 68 Ca -0.05 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1fkr n VAL 68 Cb 0.59 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 1fkr n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fkr n GLY 69 N 6.10 1.14 3.73 2.92 0.00 -0.98 -4.16 105.19 113.94 1fkr n GLY 69 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 1fkr n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fkr s GLN 70 N -0.37 2.74 -0.10 1.61 0.74 -0.11 -4.19 119.66 119.97 1fkr s GLN 70 Ca 0.00 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.72 1fkr s GLN 70 Cb 0.00 -2.65 0.01 0.00 1.10 0.00 0.00 33.01 31.47 1fkr s GLN 70 CO 0.00 0.57 -0.20 1.03 -0.55 0.00 0.00 175.29 176.14 1fkr s ARG 71 N -2.18 2.68 0.28 1.67 0.52 -1.01 -2.12 118.95 118.79 1fkr s ARG 71 Ca 0.26 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 1fkr s ARG 71 Cb -0.12 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 1fkr s ARG 71 CO 0.18 0.08 0.12 0.00 0.02 0.00 0.00 175.30 175.70 1fkr s ALA 72 N 0.59 1.85 -0.30 2.13 0.00 0.58 -1.06 121.76 125.55 1fkr s ALA 72 Ca -0.14 -1.80 0.02 0.00 0.00 0.00 0.00 51.96 50.04 1fkr s ALA 72 Cb -0.17 1.09 0.09 0.00 0.00 0.00 0.00 23.12 24.13 1fkr s ALA 72 CO 0.04 -0.48 0.03 0.21 0.00 0.00 0.00 175.76 175.56 1fkr s LYS 73 N -3.94 1.36 0.03 0.00 2.20 0.05 -0.73 119.74 118.71 1fkr s LYS 73 Ca 0.36 -1.41 -0.04 0.00 -0.36 0.00 0.00 55.97 54.53 1fkr s LYS 73 Cb 0.06 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 1fkr s LYS 73 CO 0.15 -0.84 0.25 -0.51 -0.36 0.00 0.00 175.35 174.04 1fkr s LEU 74 N 1.23 4.35 -0.27 5.43 1.43 -0.62 -1.92 118.68 128.31 1fkr s LEU 74 Ca 0.05 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 1fkr s LEU 74 Cb -0.19 -2.81 0.05 0.00 0.03 0.00 0.00 46.19 43.28 1fkr s LEU 74 CO -0.12 0.21 -0.07 -0.89 0.23 0.00 0.00 176.35 175.71 1fkr s THR 75 N -1.40 2.54 -0.09 5.49 2.01 -1.02 -2.06 115.64 121.11 1fkr s THR 75 Ca 0.31 -1.44 -0.01 0.00 0.31 0.00 0.00 61.69 60.86 1fkr s THR 75 Cb -0.13 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1fkr s THR 75 CO 0.20 -0.00 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.45 1fkr s ILE 76 N 1.19 3.87 0.12 1.82 1.01 -0.12 -2.09 121.20 126.99 1fkr s ILE 76 Ca -0.06 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1fkr s ILE 76 Cb -0.19 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1fkr s ILE 76 CO -0.04 0.58 0.13 -0.94 0.00 0.00 0.00 174.94 174.67 1fkr s SER 77 N -0.57 5.66 0.35 3.58 1.04 -1.24 -0.86 113.70 121.66 1fkr s SER 77 Ca 0.09 -0.02 0.14 0.00 0.48 0.00 0.00 55.95 56.63 1fkr s SER 77 Cb -0.12 -1.54 1.00 0.00 0.10 0.00 0.00 66.02 65.46 1fkr s SER 77 CO 0.02 0.12 1.73 1.55 0.98 0.00 0.00 173.24 177.63 1fkr h PRO 78 N 2.80 0.46 -0.98 4.02 0.13 -1.84 0.93 132.00 137.52 1fkr h PRO 78 Ca -0.47 -0.03 0.23 0.00 -0.87 0.00 0.00 66.00 64.86 1fkr h PRO 78 Cb 1.18 -0.10 -0.12 0.00 0.13 0.00 0.00 31.00 32.08 1fkr h PRO 78 CO 0.66 0.31 0.56 0.38 -0.23 0.00 0.00 178.00 179.68 1fkr h ASP 79 N 0.48 0.64 -0.52 1.44 2.03 -1.90 0.21 116.42 118.79 1fkr h ASP 79 Ca 0.65 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 57.09 1fkr h ASP 79 Cb 1.42 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.96 1fkr h ASP 79 CO -0.44 0.11 0.00 -1.22 -1.03 0.00 0.00 179.24 176.66 1fkr n TYR 80 N -4.90 1.87 0.00 4.15 4.02 0.31 -4.91 117.16 117.71 1fkr n TYR 80 Ca 0.26 -0.75 0.00 0.00 -0.01 0.00 0.00 57.90 57.39 1fkr n TYR 80 Cb 0.71 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1fkr n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkr n ALA 81 N 0.44 0.26 -4.01 -0.72 0.00 0.72 -2.66 120.51 114.54 1fkr n ALA 81 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 1fkr n ALA 81 Cb 1.14 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.44 1fkr n ALA 81 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1fkr s TYR 82 N 0.68 3.71 -0.42 0.00 1.51 -1.21 -4.93 117.35 116.69 1fkr s TYR 82 Ca 0.00 -3.01 0.05 0.00 -1.01 0.00 0.00 57.07 53.09 1fkr s TYR 82 Cb 0.00 -2.91 0.51 0.00 -0.11 0.00 0.00 41.96 39.45 1fkr s TYR 82 CO 0.00 -0.93 1.64 0.41 -1.11 0.00 0.00 175.55 175.56 1fkr n GLY 83 N 4.17 5.43 1.94 0.71 0.00 -1.25 -3.84 105.19 112.34 1fkr n GLY 83 Ca 0.04 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 1fkr n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fkr n ALA 84 N -0.99 0.36 -4.07 4.61 0.00 -1.26 -4.72 120.51 114.44 1fkr n ALA 84 Ca 0.48 -1.20 -0.32 0.00 0.00 0.00 0.00 53.44 52.41 1fkr n ALA 84 Cb 1.03 0.84 -0.16 0.00 0.00 0.00 0.00 19.45 21.16 1fkr n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fkr s THR 85 N -2.52 1.85 0.00 0.00 2.01 -1.26 -4.15 115.64 111.57 1fkr s THR 85 Ca 0.15 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1fkr s THR 85 Cb 0.01 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.79 1fkr s THR 85 CO 0.10 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1fkr n GLY 86 N 4.67 0.17 3.29 4.40 0.00 -1.24 -5.07 105.19 111.42 1fkr n GLY 86 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1fkr n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fkr s HIS 87 N 0.00 1.99 -0.29 1.61 5.65 -1.24 -5.01 115.29 117.99 1fkr s HIS 87 Ca 0.00 -0.39 -0.25 0.00 0.25 0.00 0.00 55.06 54.67 1fkr s HIS 87 Cb 0.00 -1.17 0.00 0.00 -1.18 0.00 0.00 32.58 30.24 1fkr s HIS 87 CO 0.00 0.14 0.87 -1.25 -0.65 0.00 0.00 174.74 173.85 1fkr s PRO 88 N -1.37 4.04 0.00 2.88 0.04 -1.26 -1.73 135.00 137.60 1fkr s PRO 88 Ca 0.09 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1fkr s PRO 88 Cb -0.09 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1fkr s PRO 88 CO 0.03 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1fkr n GLY 89 N 3.99 1.14 0.50 0.56 0.00 -1.26 -4.87 105.19 105.26 1fkr n GLY 89 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1fkr n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fkr n ILE 90 N -0.01 1.35 -3.82 -0.61 5.41 -1.23 -4.72 119.36 115.73 1fkr n ILE 90 Ca 0.00 0.22 -0.29 0.00 1.00 0.00 0.00 62.75 63.68 1fkr n ILE 90 Cb 0.00 -2.00 -0.13 0.00 -0.71 0.00 0.00 39.64 36.80 1fkr n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1fkr s ILE 91 N -2.50 2.21 0.84 1.39 1.09 -0.70 -4.76 121.20 118.76 1fkr s ILE 91 Ca -0.17 -3.42 -0.11 0.00 -1.10 0.00 0.00 60.65 55.85 1fkr s ILE 91 Cb 0.03 -2.50 0.09 0.00 -1.06 0.00 0.00 42.46 39.02 1fkr s ILE 91 CO 0.25 -0.94 1.09 -2.84 -0.10 0.00 0.00 174.94 172.40 1fkr s PRO 92 N -0.53 1.74 1.06 2.79 0.02 -1.24 -3.65 135.00 135.19 1fkr s PRO 92 Ca 0.21 1.02 -0.12 0.00 0.02 0.00 0.00 61.00 62.14 1fkr s PRO 92 Cb -0.15 -1.85 0.23 0.00 0.02 0.00 0.00 34.50 32.75 1fkr s PRO 92 CO -0.08 -1.96 1.07 -1.25 -0.33 0.00 0.00 177.00 174.45 1fkr s PRO 93 N -4.91 -0.12 0.00 5.54 0.04 -1.26 -4.08 135.00 130.21 1fkr s PRO 93 Ca 0.62 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1fkr s PRO 93 Cb -0.18 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1fkr s PRO 93 CO 0.57 -3.25 0.00 0.72 0.04 0.00 0.00 177.00 175.07 1fkr n HIS 94 N -4.61 0.00 -4.25 0.56 8.25 -1.25 -4.86 115.22 109.05 1fkr n HIS 94 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 1fkr n HIS 94 Cb 0.54 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.58 1fkr n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fkr s ALA 95 N -1.52 3.22 -0.25 -1.41 0.00 -1.25 -4.84 121.76 115.71 1fkr s ALA 95 Ca 0.00 -1.54 -0.19 0.00 0.00 0.00 0.00 51.96 50.23 1fkr s ALA 95 Cb 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1fkr s ALA 95 CO 0.00 0.33 0.56 0.99 0.00 0.00 0.00 175.76 177.64 1fkr s THR 96 N -2.12 5.04 0.05 0.00 2.01 -1.26 -2.89 115.64 116.46 1fkr s THR 96 Ca 0.30 0.99 -0.04 0.00 0.31 0.00 0.00 61.69 63.25 1fkr s THR 96 Cb -0.07 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1fkr s THR 96 CO 0.20 0.07 0.28 -0.76 -0.69 0.00 0.00 174.62 173.71 1fkr s LEU 97 N 2.34 4.34 -0.07 4.42 1.43 -0.04 -4.48 118.68 126.62 1fkr s LEU 97 Ca 0.23 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1fkr s LEU 97 Cb -0.16 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.20 1fkr s LEU 97 CO 0.09 0.19 -0.05 -0.69 0.23 0.00 0.00 176.35 176.12 1fkr s VAL 98 N -1.43 0.69 0.38 -1.59 1.01 -0.82 -0.95 120.40 117.70 1fkr s VAL 98 Ca 0.32 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1fkr s VAL 98 Cb -0.13 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.45 1fkr s VAL 98 CO 0.21 0.29 0.09 -0.36 0.00 0.00 0.00 175.10 175.33 1fkr s PHE 99 N 1.42 2.58 -0.45 5.22 0.40 -0.87 -1.56 117.98 124.72 1fkr s PHE 99 Ca -0.02 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 55.80 1fkr s PHE 99 Cb -0.13 -1.74 0.14 0.00 0.51 0.00 0.00 43.02 41.79 1fkr s PHE 99 CO -0.03 0.34 0.26 -0.51 0.70 0.00 0.00 175.22 175.98 1fkr s ASP 100 N -3.80 3.54 0.09 1.36 1.11 -0.85 -1.59 116.67 116.54 1fkr s ASP 100 Ca 0.38 -2.70 0.01 0.00 0.18 0.00 0.00 52.55 50.42 1fkr s ASP 100 Cb 0.03 -1.00 -0.04 0.00 1.07 0.00 0.00 42.92 42.98 1fkr s ASP 100 CO 0.21 -0.25 0.21 -0.69 1.18 0.00 0.00 175.17 175.82 1fkr s VAL 101 N 0.27 5.22 -0.36 -1.27 1.01 0.09 -2.69 120.40 122.68 1fkr s VAL 101 Ca 0.19 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1fkr s VAL 101 Cb -0.21 -3.59 0.11 0.00 0.00 0.00 0.00 36.38 32.69 1fkr s VAL 101 CO -0.02 0.07 0.12 -0.70 0.00 0.00 0.00 175.10 174.57 1fkr s GLU 102 N -2.70 1.13 -0.02 2.72 2.12 -0.49 -0.31 118.70 121.15 1fkr s GLU 102 Ca 0.34 -1.59 -0.30 0.00 0.36 0.00 0.00 54.97 53.78 1fkr s GLU 102 Cb -0.12 -2.50 -0.06 0.00 0.26 0.00 0.00 34.13 31.71 1fkr s GLU 102 CO 0.27 -1.02 1.55 -1.17 -0.54 0.00 0.00 175.26 174.35 1fkr s LEU 103 N 1.04 4.32 -0.09 2.70 2.96 -0.90 -1.94 118.68 126.76 1fkr s LEU 103 Ca 0.12 2.21 -0.04 0.00 -0.22 0.00 0.00 54.13 56.21 1fkr s LEU 103 Cb -0.20 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1fkr s LEU 103 CO -0.14 -0.84 -0.07 -0.07 -1.32 0.00 0.00 176.35 173.91 1fkr h LEU 104 N 9.24 0.00 0.00 -0.68 3.38 -0.82 -2.60 115.31 123.83 1fkr h LEU 104 Ca -0.39 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.70 1fkr h LEU 104 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1fkr h LEU 104 CO 0.93 0.49 0.36 1.17 0.09 0.00 0.00 178.44 181.48 1fkr n LYS 105 N -4.11 0.28 -4.17 1.13 4.81 -1.07 -4.32 118.16 110.71 1fkr n LYS 105 Ca -0.03 -0.68 -0.25 0.00 -0.87 0.00 0.00 58.31 56.47 1fkr n LYS 105 Cb 0.11 0.96 -0.06 0.00 0.02 0.00 0.00 35.03 36.05 1fkr n LYS 105 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1fkr s LEU 106 N 0.00 3.51 0.00 3.14 1.43 -1.26 -0.40 118.68 125.10 1fkr s LEU 106 Ca 0.13 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1fkr s LEU 106 Cb -0.01 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1fkr s LEU 106 CO 0.02 0.05 0.34 1.21 0.23 0.00 0.00 176.35 178.20