#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 2.87 0.17 1.61 0.11 -1.26 -3.78 120.40 120.12 1fkr s VAL 2 Ca 0.00 -1.51 0.09 0.00 -2.93 0.00 0.00 61.98 57.63 1fkr s VAL 2 Cb 0.00 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1fkr s VAL 2 CO 0.00 0.09 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.56 1fkr s GLN 3 N -2.19 1.34 -0.15 1.54 -0.21 -0.96 -4.98 119.66 114.04 1fkr s GLN 3 Ca 0.18 -1.44 0.00 0.00 0.02 0.00 0.00 55.36 54.13 1fkr s GLN 3 Cb -0.10 -1.47 0.03 0.00 1.00 0.00 0.00 33.01 32.46 1fkr s GLN 3 CO 0.10 0.30 -0.13 0.08 -2.12 0.00 0.00 175.29 173.53 1fkr s VAL 4 N -1.93 1.51 -0.40 1.09 1.01 -1.26 -2.44 120.40 117.98 1fkr s VAL 4 Ca 0.17 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1fkr s VAL 4 Cb -0.06 -1.46 0.11 0.00 0.00 0.00 0.00 36.38 34.96 1fkr s VAL 4 CO 0.07 0.39 0.12 -1.61 0.00 0.00 0.00 175.10 174.07 1fkr s GLU 5 N 1.50 1.62 0.68 2.72 0.41 -0.81 -5.00 118.70 119.83 1fkr s GLU 5 Ca 0.04 -2.10 -0.14 0.00 -0.41 0.00 0.00 54.97 52.36 1fkr s GLU 5 Cb -0.13 -3.22 0.01 0.00 -1.78 0.00 0.00 34.13 29.00 1fkr s GLU 5 CO -0.10 -0.99 1.11 0.99 -0.49 0.00 0.00 175.26 175.77 1fkr s THR 6 N 0.54 3.27 0.07 3.63 2.01 -1.26 -0.56 115.64 123.33 1fkr s THR 6 Ca 0.13 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.68 1fkr s THR 6 Cb -0.21 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1fkr s THR 6 CO -0.06 -0.41 0.00 -0.38 -0.69 0.00 0.00 174.62 173.09 1fkr n ILE 7 N -2.66 0.60 -3.84 1.82 5.41 -0.14 -4.84 119.36 115.71 1fkr n ILE 7 Ca 0.10 0.20 -0.28 0.00 1.00 0.00 0.00 62.75 63.77 1fkr n ILE 7 Cb 0.52 -1.42 -0.12 0.00 -0.71 0.00 0.00 39.64 37.91 1fkr n ILE 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1fkr s SER 8 N -5.49 4.28 0.81 4.38 0.15 -1.04 -5.00 113.70 111.80 1fkr s SER 8 Ca 0.00 -3.55 -0.15 0.00 0.70 0.00 0.00 55.95 52.95 1fkr s SER 8 Cb 0.00 -1.46 -0.13 0.00 -1.71 0.00 0.00 66.02 62.72 1fkr s SER 8 CO 0.00 -0.13 -0.76 -2.65 1.20 0.00 0.00 173.24 170.90 1fkr n PRO 9 N 2.36 0.00 -3.18 5.44 -0.02 -1.26 -2.23 135.00 136.11 1fkr n PRO 9 Ca 0.18 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.50 1fkr n PRO 9 Cb 0.36 -0.81 -0.03 0.00 -0.02 0.00 0.00 33.50 33.00 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 3.73 0.40 -1.23 0.00 -1.25 -4.44 105.19 105.24 1fkr n GLY 10 Ca -0.02 -2.28 -0.10 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.28 -1.01 0.00 1.61 5.75 -1.26 -4.81 116.55 115.56 1fkr n ASP 11 Ca -0.09 1.73 0.00 0.00 -0.01 0.00 0.00 54.79 56.42 1fkr n ASP 11 Cb 0.31 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.24 1.19 0.04 6.12 0.00 -1.26 -4.95 105.19 105.09 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 -1.59 0.00 -4.46 1.61 1.74 -1.26 -5.07 116.66 107.62 1fkr n ARG 13 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1fkr n ARG 13 Cb 0.00 -0.81 -0.10 0.00 -1.02 0.00 0.00 32.46 30.53 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 -1.65 4.09 0.38 0.55 2.01 -1.26 -5.07 115.64 114.68 1fkr s THR 14 Ca 0.00 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.71 1fkr s THR 14 Cb 0.00 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1fkr s THR 14 CO 0.00 0.60 0.15 -0.36 -0.69 0.00 0.00 174.62 174.32 1fkr s PHE 15 N -0.81 1.77 0.76 4.92 0.40 -1.26 -1.56 117.98 122.19 1fkr s PHE 15 Ca 0.12 -1.33 -0.14 0.00 -0.60 0.00 0.00 56.93 54.98 1fkr s PHE 15 Cb -0.11 -1.07 0.06 0.00 0.51 0.00 0.00 43.02 42.40 1fkr s PHE 15 CO 0.02 -0.38 1.20 -2.14 0.70 0.00 0.00 175.22 174.62 1fkr s PRO 16 N -3.70 1.97 0.37 0.24 0.02 -1.26 -4.84 135.00 127.79 1fkr s PRO 16 Ca 0.28 1.72 0.09 0.00 0.02 0.00 0.00 61.00 63.11 1fkr s PRO 16 Cb 0.03 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.66 1fkr s PRO 16 CO 0.16 -1.96 -0.05 0.15 -0.33 0.00 0.00 177.00 174.97 1fkr s LYS 17 N -4.04 1.88 -0.87 5.54 -0.14 -1.26 -5.06 119.74 115.79 1fkr s LYS 17 Ca 0.73 -1.98 -0.24 0.00 -1.36 0.00 0.00 55.97 53.11 1fkr s LYS 17 Cb -0.28 -1.70 0.05 0.00 -1.68 0.00 0.00 37.83 34.22 1fkr s LYS 17 CO 0.47 0.08 1.32 1.03 -0.76 0.00 0.00 175.35 177.49 1fkr s ARG 18 N -3.65 3.38 0.00 1.68 0.52 -1.26 -2.49 118.95 117.13 1fkr s ARG 18 Ca 0.34 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 1fkr s ARG 18 Cb 0.05 -4.74 0.00 0.00 0.52 0.00 0.00 34.95 30.78 1fkr s ARG 18 CO 0.17 -2.13 0.00 0.41 0.02 0.00 0.00 175.30 173.77 1fkr n GLY 19 N 6.03 0.09 3.78 -3.53 0.00 -1.26 -5.12 105.19 105.18 1fkr n GLY 19 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 2.24 -0.21 1.61 -0.21 -1.04 -5.06 119.66 116.99 1fkr s GLN 20 Ca 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 55.36 53.43 1fkr s GLN 20 Cb 0.00 -1.96 0.02 0.00 1.00 0.00 0.00 33.01 32.07 1fkr s GLN 20 CO 0.00 -0.26 -0.14 0.99 -2.12 0.00 0.00 175.29 173.75 1fkr s THR 21 N -2.67 2.39 0.51 -0.19 2.01 -1.26 -3.72 115.64 112.71 1fkr s THR 21 Ca 0.35 -0.99 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 1fkr s THR 21 Cb 0.02 -2.11 -0.06 0.00 0.01 0.00 0.00 72.50 70.36 1fkr s THR 21 CO 0.20 0.39 1.14 0.00 -0.69 0.00 0.00 174.62 175.66 1fkr s VAL 23 N -1.68 2.01 0.11 0.00 1.01 0.95 -1.93 120.40 120.88 1fkr s VAL 23 Ca 0.69 -2.07 0.08 0.00 0.00 0.00 0.00 61.98 60.69 1fkr s VAL 23 Cb -0.26 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1fkr s VAL 23 CO 0.30 -0.52 -0.20 0.68 0.00 0.00 0.00 175.10 175.36 1fkr s VAL 24 N 1.06 1.70 -0.14 2.92 -7.23 -0.50 -0.34 120.40 117.86 1fkr s VAL 24 Ca 0.08 -1.61 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1fkr s VAL 24 Cb -0.19 -1.59 0.03 0.00 0.56 0.00 0.00 36.38 35.19 1fkr s VAL 24 CO -0.10 -0.12 -0.07 -2.28 -0.31 0.00 0.00 175.10 172.22 1fkr s HIS 25 N -1.35 1.63 0.34 2.82 2.46 -1.07 -1.92 115.29 118.21 1fkr s HIS 25 Ca 0.08 -0.93 0.06 0.00 0.47 0.00 0.00 55.06 54.73 1fkr s HIS 25 Cb -0.09 -1.29 -0.02 0.00 -0.13 0.00 0.00 32.58 31.04 1fkr s HIS 25 CO 0.05 -0.57 0.22 2.48 -2.47 0.00 0.00 174.74 174.44 1fkr n TYR 26 N 4.90 -0.40 -3.73 3.88 4.11 -1.26 -2.13 117.16 122.53 1fkr n TYR 26 Ca -0.12 -2.58 -0.23 0.00 -0.00 0.00 0.00 57.90 54.97 1fkr n TYR 26 Cb 0.49 0.16 -0.18 0.00 -0.00 0.00 0.00 39.34 39.82 1fkr n TYR 26 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1fkr s THR 27 N -3.17 0.22 -0.23 -3.48 2.01 -1.14 -1.91 115.64 107.94 1fkr s THR 27 Ca 0.30 0.15 -0.09 0.00 0.31 0.00 0.00 61.69 62.37 1fkr s THR 27 Cb 0.01 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1fkr s THR 27 CO 0.22 0.17 0.11 -0.83 -0.69 0.00 0.00 174.62 173.59 1fkr s GLY 28 N 2.03 1.89 0.29 4.40 0.00 0.18 -1.99 107.32 114.12 1fkr s GLY 28 Ca 0.04 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.88 1fkr s GLY 28 CO -0.05 0.34 0.15 1.03 0.00 0.00 0.00 173.10 174.58 1fkr n MET 29 N 4.28 0.52 -2.91 2.90 2.81 -0.93 -3.33 117.12 120.47 1fkr n MET 29 Ca -0.16 -2.63 -0.11 0.00 -1.81 0.00 0.00 57.70 52.99 1fkr n MET 29 Cb 0.52 1.71 -0.02 0.00 -0.71 0.00 0.00 33.22 34.71 1fkr n MET 29 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1fkr n LEU 30 N 0.00 0.00 -1.32 4.03 4.77 -1.22 -0.85 117.00 122.40 1fkr n LEU 30 Ca -0.00 -1.08 -0.01 0.00 -0.03 0.00 0.00 56.01 54.89 1fkr n LEU 30 Cb 0.47 0.13 0.18 0.00 -2.33 0.00 0.00 43.42 41.87 1fkr n LEU 30 CO 0.25 -0.15 0.66 -1.84 -1.33 0.00 0.00 177.39 174.97 1fkr n GLU 31 N -0.43 2.65 0.00 3.23 0.00 -1.26 -3.69 120.64 121.15 1fkr n GLU 31 Ca -0.07 -1.60 0.00 0.00 0.00 0.00 0.00 57.16 55.49 1fkr n GLU 31 Cb 0.22 -1.82 0.00 0.00 0.00 0.00 0.00 31.44 29.84 1fkr n GLU 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1fkr n ASP 32 N 0.15 1.07 0.00 -1.84 5.68 -1.26 -5.08 116.55 115.27 1fkr n ASP 32 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1fkr n ASP 32 Cb 0.83 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 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 2.64 1.52 3.41 6.12 0.00 -1.24 -5.15 105.19 112.49 1fkr n GLY 33 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.00 -0.03 1.61 -0.14 -1.26 -4.93 119.74 117.00 1fkr s LYS 34 Ca 0.00 -1.01 -0.18 0.00 -1.36 0.00 0.00 55.97 53.42 1fkr s LYS 34 Cb 0.00 -2.12 -0.05 0.00 -1.68 0.00 0.00 37.83 33.98 1fkr s LYS 34 CO 0.00 0.54 0.50 0.15 -0.76 0.00 0.00 175.35 175.78 1fkr s LYS 35 N -1.30 4.20 0.00 1.68 1.02 -1.26 -3.42 119.74 120.66 1fkr s LYS 35 Ca 0.13 0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.68 1fkr s LYS 35 Cb -0.10 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 1fkr s LYS 35 CO 0.04 0.43 0.00 1.97 -0.92 0.00 0.00 175.35 176.86 1fkr n PHE 36 N 2.64 0.00 -3.73 3.18 1.16 -1.21 -5.03 117.46 114.47 1fkr n PHE 36 Ca -0.09 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.31 1fkr n PHE 36 Cb 0.51 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.22 1fkr n PHE 36 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1fkr s ASP 37 N -3.45 0.59 0.19 5.98 1.01 -1.25 -4.98 116.67 114.76 1fkr s ASP 37 Ca 0.00 0.05 0.05 0.00 0.71 0.00 0.00 52.55 53.36 1fkr s ASP 37 Cb 0.00 -0.11 -0.05 0.00 1.01 0.00 0.00 42.92 43.77 1fkr s ASP 37 CO 0.00 -0.18 -0.06 -0.44 0.21 0.00 0.00 175.17 174.69 1fkr s SER 38 N 1.58 1.94 -0.51 0.27 0.01 -1.26 0.51 113.70 116.24 1fkr s SER 38 Ca -0.03 -1.11 0.02 0.00 1.31 0.00 0.00 55.95 56.15 1fkr s SER 38 Cb -0.13 -0.02 0.52 0.00 0.21 0.00 0.00 66.02 66.60 1fkr s SER 38 CO -0.03 -0.39 1.83 -1.54 0.41 0.00 0.00 173.24 173.52 1fkr n SER 39 N -0.33 5.60 -2.90 2.44 3.41 -0.80 -4.55 113.62 116.49 1fkr n SER 39 Ca -0.08 -3.74 -0.21 0.00 -0.26 0.00 0.00 58.87 54.59 1fkr n SER 39 Cb 0.62 -0.82 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 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 -0.98 2.15 -0.00 4.33 0.63 -1.26 -4.17 116.66 117.35 1fkr n ARG 40 Ca 0.56 -4.03 -0.00 0.00 -0.92 0.00 0.00 57.85 53.45 1fkr n ARG 40 Cb 1.03 -1.89 -0.00 0.00 0.45 0.00 0.00 32.46 32.04 1fkr n ARG 40 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1fkr n ASP 41 N -0.08 0.07 0.00 6.15 -0.08 -1.26 -5.00 116.55 116.35 1fkr n ASP 41 Ca 0.27 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 1fkr n ASP 41 Cb 0.60 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.55 1fkr n ASP 41 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1fkr n ARG 42 N -2.37 0.00 -0.05 -0.67 1.74 -1.26 -5.04 116.66 109.01 1fkr n ARG 42 Ca -0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1fkr n ARG 42 Cb 0.01 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.41 1fkr n ARG 42 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1fkr n ASN 43 N 0.00 1.10 -4.67 0.55 6.94 -1.26 -5.06 115.26 112.86 1fkr n ASN 43 Ca 0.00 0.18 -0.27 0.00 -0.02 0.00 0.00 54.58 54.47 1fkr n ASN 43 Cb 0.00 -0.43 -0.08 0.00 -2.36 0.00 0.00 39.78 36.91 1fkr n ASN 43 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1fkr s LYS 44 N -2.30 2.44 0.00 -3.83 1.02 -1.26 -5.09 119.74 110.71 1fkr s LYS 44 Ca -0.17 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.77 1fkr s LYS 44 Cb 0.05 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1fkr s LYS 44 CO 0.22 0.47 0.00 -0.35 -0.92 0.00 0.00 175.35 174.77 1fkr n PRO 45 N 0.00 1.62 -3.39 -1.68 -0.04 -1.26 -4.80 135.00 125.45 1fkr n PRO 45 Ca -0.10 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.99 1fkr n PRO 45 Cb 0.55 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.95 1fkr n PRO 45 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1fkr s PHE 46 N 0.00 3.69 -0.05 0.54 5.36 -0.81 -5.00 117.98 121.72 1fkr s PHE 46 Ca 0.00 1.07 -0.01 0.00 -0.96 0.00 0.00 56.93 57.03 1fkr s PHE 46 Cb 0.00 -2.36 0.03 0.00 -0.34 0.00 0.00 43.02 40.35 1fkr s PHE 46 CO 0.00 0.53 0.02 0.15 -1.46 0.00 0.00 175.22 174.47 1fkr s LYS 47 N -1.51 0.27 0.30 10.12 1.02 -1.26 -1.41 119.74 127.26 1fkr s LYS 47 Ca 0.31 0.20 0.04 0.00 0.02 0.00 0.00 55.97 56.54 1fkr s LYS 47 Cb -0.17 -0.67 -0.03 0.00 -0.52 0.00 0.00 37.83 36.44 1fkr s LYS 47 CO 0.18 -0.27 0.19 -0.59 -0.92 0.00 0.00 175.35 173.94 1fkr s PHE 48 N 1.78 1.58 0.03 3.18 -0.71 -0.81 -4.95 117.98 118.08 1fkr s PHE 48 Ca 0.01 -1.47 0.08 0.00 -1.04 0.00 0.00 56.93 54.51 1fkr s PHE 48 Cb -0.13 -0.77 -0.03 0.00 -1.21 0.00 0.00 43.02 40.89 1fkr s PHE 48 CO -0.03 -0.65 -0.21 1.41 -1.34 0.00 0.00 175.22 174.39 1fkr s MET 49 N -3.75 2.01 -0.20 1.99 1.75 -1.26 0.28 119.30 120.12 1fkr s MET 49 Ca 0.37 -1.00 -0.19 0.00 -1.25 0.00 0.00 55.69 53.62 1fkr s MET 49 Cb 0.04 -2.12 -0.03 0.00 2.84 0.00 0.00 34.83 35.57 1fkr s MET 49 CO 0.20 0.54 0.54 -1.17 -0.65 0.00 0.00 175.02 174.48 1fkr s LEU 50 N -1.25 4.15 0.00 4.11 2.96 -1.24 -4.12 118.68 123.29 1fkr s LEU 50 Ca 0.13 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 54.76 1fkr s LEU 50 Cb -0.10 -2.75 0.00 0.00 0.50 0.00 0.00 46.19 43.84 1fkr s LEU 50 CO 0.03 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.48 1fkr n GLY 51 N 3.84 2.22 1.94 7.98 0.00 -1.26 -4.19 105.19 115.73 1fkr n GLY 51 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.38 3.44 -1.92 1.61 4.81 -1.26 -5.00 118.16 119.46 1fkr n LYS 52 Ca 0.00 -4.07 0.00 0.00 -0.87 0.00 0.00 58.31 53.37 1fkr n LYS 52 Cb 0.00 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1fkr n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fkr n GLN 53 N -0.75 -0.13 0.00 1.64 10.64 -1.26 -4.76 117.38 122.76 1fkr n GLN 53 Ca 0.43 -0.07 -0.03 0.00 -1.83 0.00 0.00 57.00 55.51 1fkr n GLN 53 Cb 0.94 0.12 -0.11 0.00 -0.86 0.00 0.00 30.24 30.33 1fkr n GLN 53 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1fkr n GLU 54 N -0.41 0.63 -4.40 2.61 -0.58 -1.26 -4.91 120.64 112.33 1fkr n GLU 54 Ca 0.00 0.21 -0.27 0.00 -0.42 0.00 0.00 57.16 56.69 1fkr n GLU 54 Cb 0.00 -1.77 -0.11 0.00 -0.57 0.00 0.00 31.44 28.99 1fkr n GLU 54 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1fkr s VAL 55 N -2.80 2.54 1.03 2.62 -7.23 -1.26 -5.07 120.40 110.22 1fkr s VAL 55 Ca -0.04 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 58.00 1fkr s VAL 55 Cb 0.08 -2.23 0.12 0.00 0.56 0.00 0.00 36.38 34.91 1fkr s VAL 55 CO 0.82 -0.13 0.09 2.30 -0.31 0.00 0.00 175.10 177.87 1fkr n ILE 56 N 0.16 0.00 0.10 -0.62 -5.35 -1.26 -4.64 119.36 107.75 1fkr n ILE 56 Ca -0.12 -0.10 -0.10 0.00 -0.27 0.00 0.00 62.75 62.16 1fkr n ILE 56 Cb 0.56 -0.47 -0.06 0.00 -1.74 0.00 0.00 39.64 37.93 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 -2.40 -0.32 -0.31 6.28 2.43 -1.83 -3.00 114.38 115.22 1fkr h ARG 57 Ca -0.32 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 58.99 1fkr h ARG 57 Cb 0.95 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 1fkr h ARG 57 CO 0.21 0.01 0.18 0.41 -1.51 0.00 0.00 179.97 179.27 1fkr n GLY 58 N 0.48 -0.21 0.00 2.80 0.00 -0.02 0.01 105.19 108.26 1fkr n GLY 58 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.44 0.00 -0.08 1.61 7.02 -1.23 -1.45 117.44 119.87 1fkr n TRP 59 Ca 0.10 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1fkr n TRP 59 Cb 0.37 -0.26 0.01 0.00 -2.42 0.00 0.00 31.31 29.01 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 -1.43 -0.05 -0.02 -0.99 2.13 0.10 0.27 120.64 120.64 1fkr n GLU 60 Ca 0.00 0.32 -0.08 0.00 0.66 0.00 0.00 57.16 58.06 1fkr n GLU 60 Cb 0.00 -0.48 -0.07 0.00 0.27 0.00 0.00 31.44 31.17 1fkr n GLU 60 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1fkr h GLU 61 N 0.00 -0.07 0.00 5.31 4.57 -1.40 -2.61 114.58 120.38 1fkr h GLU 61 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1fkr h GLU 61 Cb 0.12 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1fkr h GLU 61 CO -0.21 0.42 0.00 0.41 -1.18 0.00 0.00 179.01 178.45 1fkr n GLY 62 N 1.36 -3.16 0.30 1.92 0.00 0.76 -1.16 105.19 105.21 1fkr n GLY 62 Ca -0.06 0.41 0.05 0.00 0.00 0.00 0.00 46.02 46.42 1fkr n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fkr h VAL 63 N 0.00 0.21 -0.39 1.61 2.07 0.35 -0.45 116.25 119.64 1fkr h VAL 63 Ca 0.00 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1fkr h VAL 63 Cb 0.00 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 29.86 1fkr h VAL 63 CO 0.00 0.01 -0.52 0.00 0.02 0.00 0.00 177.57 177.08 1fkr h ALA 64 N 1.81 -0.68 0.00 1.67 0.00 -1.05 0.52 119.26 121.53 1fkr h ALA 64 Ca 0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1fkr h ALA 64 Cb 0.74 1.05 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1fkr h ALA 64 CO -0.80 -1.00 0.20 0.94 0.00 0.00 0.00 179.25 178.59 1fkr n GLN 65 N -5.39 0.00 -4.03 0.00 7.27 -0.21 -4.48 117.38 110.53 1fkr n GLN 65 Ca -0.03 0.24 -0.23 0.00 0.07 0.00 0.00 57.00 57.06 1fkr n GLN 65 Cb 0.35 -1.70 -0.03 0.00 2.41 0.00 0.00 30.24 31.27 1fkr n GLN 65 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1fkr s MET 66 N -2.43 3.19 0.18 3.69 -1.94 0.18 -5.08 119.30 117.10 1fkr s MET 66 Ca 0.00 -0.85 0.11 0.00 -1.71 0.00 0.00 55.69 53.23 1fkr s MET 66 Cb 0.00 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 34.04 1fkr s MET 66 CO 0.00 0.44 -0.21 -1.54 -0.01 0.00 0.00 175.02 173.70 1fkr s SER 67 N -3.71 3.64 -0.80 3.03 1.04 -1.26 -4.52 113.70 111.12 1fkr s SER 67 Ca 0.33 -0.78 -0.26 0.00 0.48 0.00 0.00 55.95 55.73 1fkr s SER 67 Cb -0.09 -0.38 -0.17 0.00 0.10 0.00 0.00 66.02 65.48 1fkr s SER 67 CO 0.27 0.12 2.50 0.52 0.98 0.00 0.00 173.24 177.63 1fkr n VAL 68 N 0.27 -0.03 0.00 5.02 0.31 -0.60 0.49 118.33 123.78 1fkr n VAL 68 Ca -0.13 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1fkr n VAL 68 Cb 0.56 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 6.23 1.39 3.68 2.92 0.00 -0.95 -4.07 105.19 114.39 1fkr n GLY 69 Ca 0.54 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.28 2.84 -0.01 1.61 0.74 0.18 -3.88 119.66 120.86 1fkr s GLN 70 Ca 0.00 -0.56 0.06 0.00 0.05 0.00 0.00 55.36 54.91 1fkr s GLN 70 Cb 0.00 -2.70 -0.02 0.00 1.10 0.00 0.00 33.01 31.39 1fkr s GLN 70 CO 0.00 0.64 -0.20 0.50 -0.55 0.00 0.00 175.29 175.69 1fkr s ARG 71 N -1.39 1.56 0.32 1.67 3.52 -0.95 -2.18 118.95 121.51 1fkr s ARG 71 Ca 0.18 -0.74 -0.06 0.00 -0.13 0.00 0.00 55.73 54.98 1fkr s ARG 71 Cb -0.11 -1.53 0.00 0.00 -1.56 0.00 0.00 34.95 31.75 1fkr s ARG 71 CO 0.08 0.42 0.49 0.00 -0.81 0.00 0.00 175.30 175.48 1fkr s ALA 72 N -0.52 0.43 -0.29 6.12 0.00 0.23 -0.97 121.76 126.76 1fkr s ALA 72 Ca 0.07 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1fkr s ALA 72 Cb -0.08 1.10 0.08 0.00 0.00 0.00 0.00 23.12 24.23 1fkr s ALA 72 CO -0.00 -0.82 0.03 0.21 0.00 0.00 0.00 175.76 175.18 1fkr s LYS 73 N -3.21 1.30 0.02 0.00 2.20 0.27 -1.04 119.74 119.28 1fkr s LYS 73 Ca 0.28 -1.30 -0.05 0.00 -0.36 0.00 0.00 55.97 54.54 1fkr s LYS 73 Cb -0.01 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.66 1fkr s LYS 73 CO 0.17 -0.82 0.25 -0.51 -0.36 0.00 0.00 175.35 174.07 1fkr s LEU 74 N 1.30 4.36 -0.33 5.43 1.43 0.03 -1.93 118.68 128.97 1fkr s LEU 74 Ca 0.04 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1fkr s LEU 74 Cb -0.18 -2.73 0.08 0.00 0.03 0.00 0.00 46.19 43.39 1fkr s LEU 74 CO -0.12 0.23 0.04 -0.89 0.23 0.00 0.00 176.35 175.84 1fkr s THR 75 N -1.35 2.63 -0.15 5.49 2.01 -1.02 -1.58 115.64 121.66 1fkr s THR 75 Ca 0.29 -1.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.28 1fkr s THR 75 Cb -0.13 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1fkr s THR 75 CO 0.18 -0.40 0.09 -0.63 -0.69 0.00 0.00 174.62 173.17 1fkr s ILE 76 N 1.07 5.06 0.22 1.82 1.01 -0.01 -2.27 121.20 128.09 1fkr s ILE 76 Ca 0.03 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.82 1fkr s ILE 76 Cb -0.20 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1fkr s ILE 76 CO -0.05 0.52 -0.03 -0.55 0.00 0.00 0.00 174.94 174.83 1fkr s SER 77 N -0.21 4.50 0.21 3.58 0.15 -1.25 -0.31 113.70 120.37 1fkr s SER 77 Ca 0.09 -0.58 -0.13 0.00 0.70 0.00 0.00 55.95 56.03 1fkr s SER 77 Cb -0.12 -0.84 0.25 0.00 -1.71 0.00 0.00 66.02 63.60 1fkr s SER 77 CO 0.01 0.05 1.35 -0.81 1.20 0.00 0.00 173.24 175.04 1fkr n PRO 78 N -0.48 -0.18 -0.38 5.44 -0.04 -1.25 0.18 135.00 138.29 1fkr n PRO 78 Ca -0.08 1.34 0.29 0.00 -0.04 0.00 0.00 63.50 65.01 1fkr n PRO 78 Cb 0.57 -1.99 0.57 0.00 -0.04 0.00 0.00 33.50 32.61 1fkr n PRO 78 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1fkr h ASP 79 N 0.00 0.36 -0.32 3.54 2.03 -1.94 0.27 116.42 120.37 1fkr h ASP 79 Ca 0.33 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.75 1fkr h ASP 79 Cb 0.54 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 1fkr h ASP 79 CO -0.87 -0.06 0.00 -1.22 -1.03 0.00 0.00 179.24 176.06 1fkr n TYR 80 N -4.71 0.40 0.00 4.15 4.02 0.13 -4.82 117.16 116.33 1fkr n TYR 80 Ca 0.31 -0.23 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1fkr n TYR 80 Cb 1.14 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.45 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 1.32 1.81 -3.58 -0.72 0.00 0.90 -0.84 120.51 119.40 1fkr n ALA 81 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 1fkr n ALA 81 Cb 0.56 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 -0.00 0.81 0.00 2.02 -0.82 -4.82 117.35 114.54 1fkr s TYR 82 Ca 0.00 -0.01 -0.05 0.00 -0.37 0.00 0.00 57.07 56.63 1fkr s TYR 82 Cb 0.00 -0.53 0.16 0.00 -0.40 0.00 0.00 41.96 41.19 1fkr s TYR 82 CO 0.00 -0.49 1.12 0.20 -1.57 0.00 0.00 175.55 174.80 1fkr s GLY 83 N 2.22 1.77 0.00 0.71 0.00 -1.24 -4.44 107.32 106.33 1fkr s GLY 83 Ca 0.04 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1fkr s GLY 83 CO -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 173.10 172.03 1fkr n ALA 84 N -3.17 0.00 -2.66 3.20 0.00 -1.26 -4.66 120.51 111.96 1fkr n ALA 84 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 1fkr n ALA 84 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 3.99 0.00 0.00 2.01 -1.26 -3.59 115.64 116.78 1fkr s THR 85 Ca 0.00 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1fkr s THR 85 Cb 0.00 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1fkr s THR 85 CO 0.00 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 1fkr n GLY 86 N 1.32 -0.03 2.98 4.40 0.00 -1.26 -5.05 105.19 107.55 1fkr n GLY 86 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1fkr n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fkr s HIS 87 N -0.87 3.45 0.00 1.61 3.76 -1.21 -4.98 115.29 117.05 1fkr s HIS 87 Ca 0.00 -2.98 0.00 0.00 -0.15 0.00 0.00 55.06 51.93 1fkr s HIS 87 Cb 0.00 -2.81 0.00 0.00 1.11 0.00 0.00 32.58 30.88 1fkr s HIS 87 CO 0.00 -0.88 1.07 -0.35 -0.85 0.00 0.00 174.74 173.72 1fkr n PRO 88 N 3.95 0.85 0.00 8.40 -0.04 -1.19 0.44 135.00 147.41 1fkr n PRO 88 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1fkr n PRO 88 Cb 0.39 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1fkr n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fkr n GLY 89 N 0.84 0.00 0.31 0.55 0.00 -1.26 -4.75 105.19 100.88 1fkr n GLY 89 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.98 1.32 -3.82 -0.61 5.41 -0.82 -4.87 119.36 114.00 1fkr n ILE 90 Ca 0.00 -0.06 -0.35 0.00 1.00 0.00 0.00 62.75 63.34 1fkr n ILE 90 Cb 0.29 -1.99 -0.12 0.00 -0.71 0.00 0.00 39.64 37.11 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 -2.56 3.14 1.18 1.39 1.09 0.17 -4.77 121.20 120.85 1fkr s ILE 91 Ca -0.27 -2.23 -0.18 0.00 -1.10 0.00 0.00 60.65 56.87 1fkr s ILE 91 Cb 0.08 -3.17 0.28 0.00 -1.06 0.00 0.00 42.46 38.59 1fkr s ILE 91 CO 0.36 -0.70 0.63 -2.65 -0.10 0.00 0.00 174.94 172.49 1fkr n PRO 92 N 4.39 -3.20 -1.49 2.79 -0.02 -1.23 -3.16 135.00 133.08 1fkr n PRO 92 Ca -0.00 -1.06 -0.30 0.00 -2.02 0.00 0.00 63.50 60.12 1fkr n PRO 92 Cb 0.41 -1.60 0.09 0.00 -0.02 0.00 0.00 33.50 32.37 1fkr n PRO 92 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1fkr s PRO 93 N -4.25 2.16 0.00 0.52 0.02 -1.26 -4.47 135.00 127.72 1fkr s PRO 93 Ca 0.49 0.77 0.00 0.00 0.02 0.00 0.00 61.00 62.27 1fkr s PRO 93 Cb -0.09 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1fkr s PRO 93 CO 0.41 -1.60 0.00 0.72 -0.33 0.00 0.00 177.00 176.20 1fkr n HIS 94 N -3.44 0.00 -4.34 6.54 8.25 -1.24 -4.89 115.22 116.11 1fkr n HIS 94 Ca 0.07 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.27 1fkr n HIS 94 Cb 0.55 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.90 2.86 -0.09 -1.41 0.00 -1.26 -4.91 121.76 116.05 1fkr s ALA 95 Ca 0.00 -1.58 -0.19 0.00 0.00 0.00 0.00 51.96 50.19 1fkr s ALA 95 Cb 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1fkr s ALA 95 CO 0.00 0.41 0.50 0.99 0.00 0.00 0.00 175.76 177.66 1fkr s THR 96 N -1.88 5.14 0.12 0.00 2.01 -1.26 -3.87 115.64 115.90 1fkr s THR 96 Ca 0.25 1.01 0.03 0.00 0.31 0.00 0.00 61.69 63.30 1fkr s THR 96 Cb -0.08 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1fkr s THR 96 CO 0.15 0.35 0.16 -0.76 -0.69 0.00 0.00 174.62 173.82 1fkr s LEU 97 N 0.43 3.98 -0.27 4.42 1.43 0.57 -4.23 118.68 125.02 1fkr s LEU 97 Ca 0.27 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1fkr s LEU 97 Cb -0.16 -2.60 0.08 0.00 0.03 0.00 0.00 46.19 43.55 1fkr s LEU 97 CO 0.12 0.11 0.07 -0.69 0.23 0.00 0.00 176.35 176.19 1fkr s VAL 98 N -1.61 0.70 0.28 -1.59 1.01 -0.03 -0.83 120.40 118.32 1fkr s VAL 98 Ca 0.32 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1fkr s VAL 98 Cb -0.11 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1fkr s VAL 98 CO 0.25 -0.49 0.45 -0.36 0.00 0.00 0.00 175.10 174.94 1fkr s PHE 99 N 1.73 3.48 -0.52 5.22 0.40 -0.62 -2.18 117.98 125.49 1fkr s PHE 99 Ca 0.05 0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.64 1fkr s PHE 99 Cb -0.17 -1.78 0.14 0.00 0.51 0.00 0.00 43.02 41.72 1fkr s PHE 99 CO -0.20 0.29 0.29 -0.51 0.70 0.00 0.00 175.22 175.80 1fkr s ASP 100 N -3.80 4.10 -0.00 1.36 1.01 -0.84 -0.79 116.67 117.71 1fkr s ASP 100 Ca 0.38 -3.04 -0.02 0.00 0.71 0.00 0.00 52.55 50.58 1fkr s ASP 100 Cb -0.10 -1.42 -0.04 0.00 1.01 0.00 0.00 42.92 42.37 1fkr s ASP 100 CO 0.32 -0.22 0.15 -0.69 0.21 0.00 0.00 175.17 174.95 1fkr s VAL 101 N -0.28 5.20 -0.29 -1.27 1.01 -0.21 -2.87 120.40 121.68 1fkr s VAL 101 Ca 0.19 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1fkr s VAL 101 Cb -0.21 -3.42 0.08 0.00 0.00 0.00 0.00 36.38 32.83 1fkr s VAL 101 CO -0.03 0.31 0.00 -0.70 0.00 0.00 0.00 175.10 174.68 1fkr s GLU 102 N -1.93 1.53 -0.18 2.72 -6.30 -0.91 -0.60 118.70 113.03 1fkr s GLU 102 Ca 0.26 -1.41 -0.29 0.00 -2.50 0.00 0.00 54.97 51.04 1fkr s GLU 102 Cb -0.12 -2.78 -0.01 0.00 0.00 0.00 0.00 34.13 31.22 1fkr s GLU 102 CO 0.18 -0.79 1.18 -1.17 0.02 0.00 0.00 175.26 174.69 1fkr s LEU 103 N 1.19 4.16 -0.14 2.70 2.96 -0.92 -2.59 118.68 126.03 1fkr s LEU 103 Ca 0.03 1.59 -0.11 0.00 -0.22 0.00 0.00 54.13 55.42 1fkr s LEU 103 Cb -0.19 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.89 1fkr s LEU 103 CO -0.10 -0.72 -0.00 -0.07 -1.32 0.00 0.00 176.35 174.14 1fkr h LEU 104 N 9.56 0.00 0.00 -0.68 3.38 -1.02 -2.54 115.31 124.01 1fkr h LEU 104 Ca -0.24 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1fkr h LEU 104 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1fkr h LEU 104 CO 0.97 0.85 0.00 2.29 0.09 0.00 0.00 178.44 182.64 1fkr n LYS 105 N -4.62 0.00 -4.39 1.13 2.85 -1.05 -4.41 118.16 107.67 1fkr n LYS 105 Ca -0.10 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.90 1fkr n LYS 105 Cb 0.29 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.57 1fkr n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1fkr s LEU 106 N 0.00 2.66 0.00 -5.58 1.43 -1.26 -0.03 118.68 115.90 1fkr s LEU 106 Ca 0.00 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1fkr s LEU 106 Cb 0.00 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1fkr s LEU 106 CO 0.00 0.09 0.26 1.21 0.23 0.00 0.00 176.35 178.14