#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 3.02 0.18 1.61 0.11 -1.26 -3.72 120.40 120.35 1fkr s VAL 2 Ca 0.00 -1.28 0.10 0.00 -2.93 0.00 0.00 61.98 57.88 1fkr s VAL 2 Cb 0.00 -2.35 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 1fkr s VAL 2 CO 0.00 0.21 -0.22 -1.10 -3.33 0.00 0.00 175.10 170.66 1fkr s GLN 3 N -1.85 1.43 -0.19 1.54 -1.52 -0.76 -4.99 119.66 113.32 1fkr s GLN 3 Ca 0.18 -1.48 0.00 0.00 -1.95 0.00 0.00 55.36 52.11 1fkr s GLN 3 Cb -0.11 -1.65 0.04 0.00 -0.22 0.00 0.00 33.01 31.07 1fkr s GLN 3 CO 0.09 0.35 -0.07 0.08 -0.25 0.00 0.00 175.29 175.49 1fkr s VAL 4 N -1.80 1.35 -0.35 1.09 1.01 -1.26 -2.43 120.40 118.02 1fkr s VAL 4 Ca 0.19 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1fkr s VAL 4 Cb -0.07 -1.51 0.10 0.00 0.00 0.00 0.00 36.38 34.89 1fkr s VAL 4 CO 0.09 0.10 0.07 -0.70 0.00 0.00 0.00 175.10 174.66 1fkr s GLU 5 N 1.52 1.73 0.56 2.72 2.12 -0.77 -4.99 118.70 121.58 1fkr s GLU 5 Ca -0.01 -1.78 -0.19 0.00 0.36 0.00 0.00 54.97 53.35 1fkr s GLU 5 Cb -0.16 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 1fkr s GLU 5 CO -0.08 -0.92 1.12 0.99 -0.54 0.00 0.00 175.26 175.84 1fkr s THR 6 N 1.00 3.21 -0.07 -1.70 2.01 -1.26 -0.32 115.64 118.50 1fkr s THR 6 Ca 0.08 0.73 -0.07 0.00 0.31 0.00 0.00 61.69 62.73 1fkr s THR 6 Cb -0.20 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1fkr s THR 6 CO -0.06 -0.19 -0.16 -0.38 -0.69 0.00 0.00 174.62 173.14 1fkr n ILE 7 N -1.44 1.05 -3.72 1.82 5.41 0.07 -4.84 119.36 117.71 1fkr n ILE 7 Ca 0.11 0.07 -0.30 0.00 1.00 0.00 0.00 62.75 63.64 1fkr n ILE 7 Cb 0.51 -1.81 -0.13 0.00 -0.71 0.00 0.00 39.64 37.50 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 -6.04 3.70 0.89 4.38 0.15 -1.07 -5.03 113.70 110.68 1fkr s SER 8 Ca -0.15 -2.55 -0.21 0.00 0.70 0.00 0.00 55.95 53.75 1fkr s SER 8 Cb 0.04 -1.03 -0.16 0.00 -1.71 0.00 0.00 66.02 63.16 1fkr s SER 8 CO 0.21 -0.28 -1.10 -2.65 1.20 0.00 0.00 173.24 170.62 1fkr n PRO 9 N 3.65 0.00 0.00 5.44 -0.02 -1.26 -2.58 135.00 140.23 1fkr n PRO 9 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1fkr n PRO 9 Cb 0.35 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 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 3.11 1.53 0.10 -1.23 0.00 -1.26 -4.55 105.19 102.89 1fkr n GLY 10 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 1.44 0.00 1.61 5.75 -1.26 -4.94 116.55 119.15 1fkr n ASP 11 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 1fkr n ASP 11 Cb 0.00 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 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 1.53 1.85 0.00 6.12 0.00 -1.26 -4.99 105.19 108.44 1fkr n GLY 12 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.90 0.13 -4.31 1.61 1.74 -1.26 -5.07 116.66 108.59 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 -0.66 -0.11 0.00 -1.02 0.00 0.00 32.46 30.67 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 -1.32 4.16 0.36 0.55 2.01 -1.26 -5.07 115.64 115.07 1fkr s THR 14 Ca 0.00 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1fkr s THR 14 Cb 0.00 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1fkr s THR 14 CO 0.00 0.50 0.10 -0.36 -0.69 0.00 0.00 174.62 174.17 1fkr s PHE 15 N 0.19 1.82 0.28 4.92 0.40 -1.26 -1.05 117.98 123.28 1fkr s PHE 15 Ca -0.00 -1.15 -0.29 0.00 -0.60 0.00 0.00 56.93 54.88 1fkr s PHE 15 Cb -0.13 -1.18 -0.10 0.00 0.51 0.00 0.00 43.02 42.12 1fkr s PHE 15 CO 0.02 -0.19 1.19 -2.14 0.70 0.00 0.00 175.22 174.80 1fkr s PRO 16 N -3.82 4.52 0.43 0.24 0.02 -1.26 -4.90 135.00 130.24 1fkr s PRO 16 Ca 0.30 1.96 0.06 0.00 0.02 0.00 0.00 61.00 63.33 1fkr s PRO 16 Cb 0.05 -3.16 -0.06 0.00 0.02 0.00 0.00 34.50 31.35 1fkr s PRO 16 CO 0.15 0.03 0.01 0.15 -0.33 0.00 0.00 177.00 177.00 1fkr s LYS 17 N -1.36 2.01 -0.52 5.54 1.02 -1.26 -4.93 119.74 120.25 1fkr s LYS 17 Ca 0.47 -2.18 -0.27 0.00 0.02 0.00 0.00 55.97 54.01 1fkr s LYS 17 Cb -0.35 -1.61 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 1fkr s LYS 17 CO 0.44 -0.12 1.71 0.50 -0.92 0.00 0.00 175.35 176.96 1fkr s ARG 18 N -3.75 3.03 0.00 1.68 3.52 -1.26 -2.20 118.95 119.97 1fkr s ARG 18 Ca 0.28 0.79 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 1fkr s ARG 18 Cb 0.08 -4.25 0.00 0.00 -1.56 0.00 0.00 34.95 29.22 1fkr s ARG 18 CO 0.14 -2.25 0.00 0.41 -0.81 0.00 0.00 175.30 172.80 1fkr n GLY 19 N 5.48 0.91 3.65 8.12 0.00 -1.26 -5.13 105.19 116.96 1fkr n GLY 19 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 2.01 -0.23 1.61 -0.21 -0.93 -5.10 119.66 116.81 1fkr s GLN 20 Ca 0.00 -2.21 0.02 0.00 0.02 0.00 0.00 55.36 53.19 1fkr s GLN 20 Cb 0.00 -1.40 0.04 0.00 1.00 0.00 0.00 33.01 32.65 1fkr s GLN 20 CO 0.00 -0.23 -0.14 0.99 -2.12 0.00 0.00 175.29 173.79 1fkr s THR 21 N -2.90 2.21 0.62 -0.19 2.01 -0.05 -3.90 115.64 113.44 1fkr s THR 21 Ca 0.22 -1.29 -0.16 0.00 0.31 0.00 0.00 61.69 60.77 1fkr s THR 21 Cb 0.06 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 1fkr s THR 21 CO 0.11 0.22 1.12 0.00 -0.69 0.00 0.00 174.62 175.39 1fkr s VAL 23 N -2.12 1.31 0.11 0.00 1.01 0.46 -1.80 120.40 119.37 1fkr s VAL 23 Ca 0.69 -1.55 0.10 0.00 0.00 0.00 0.00 61.98 61.22 1fkr s VAL 23 Cb -0.22 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1fkr s VAL 23 CO 0.37 -0.52 -0.24 0.68 0.00 0.00 0.00 175.10 175.38 1fkr s VAL 24 N 1.42 1.99 -0.20 2.92 -7.23 0.12 0.46 120.40 119.87 1fkr s VAL 24 Ca 0.07 -1.63 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1fkr s VAL 24 Cb -0.18 -1.77 0.05 0.00 0.56 0.00 0.00 36.38 35.04 1fkr s VAL 24 CO -0.16 0.03 -0.04 -2.28 -0.31 0.00 0.00 175.10 172.34 1fkr s HIS 25 N -1.09 1.91 0.20 2.82 5.65 -1.04 -0.13 115.29 123.61 1fkr s HIS 25 Ca 0.10 -1.35 0.03 0.00 0.25 0.00 0.00 55.06 54.09 1fkr s HIS 25 Cb -0.10 -1.39 -0.01 0.00 -1.18 0.00 0.00 32.58 29.90 1fkr s HIS 25 CO 0.05 -0.69 0.10 2.48 -0.65 0.00 0.00 174.74 176.03 1fkr n TYR 26 N 4.81 -0.09 -3.70 3.88 4.11 -1.26 -1.79 117.16 123.12 1fkr n TYR 26 Ca -0.12 -1.42 -0.18 0.00 -0.00 0.00 0.00 57.90 56.19 1fkr n TYR 26 Cb 0.46 0.05 -0.17 0.00 -0.00 0.00 0.00 39.34 39.68 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 -2.47 -0.10 -0.17 -3.48 2.01 -1.16 -2.55 115.64 107.72 1fkr s THR 27 Ca 0.14 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 1fkr s THR 27 Cb 0.01 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.38 1fkr s THR 27 CO 0.10 0.15 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.24 1fkr s GLY 28 N 1.82 1.53 0.32 4.40 0.00 0.40 -2.19 107.32 113.61 1fkr s GLY 28 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1fkr s GLY 28 CO -0.03 0.09 0.37 -0.29 0.00 0.00 0.00 173.10 173.23 1fkr s MET 29 N 0.87 1.78 0.42 2.90 1.75 -1.24 -3.29 119.30 122.49 1fkr s MET 29 Ca -0.03 -1.84 0.07 0.00 -1.25 0.00 0.00 55.69 52.64 1fkr s MET 29 Cb -0.15 0.38 -0.06 0.00 2.84 0.00 0.00 34.83 37.84 1fkr s MET 29 CO -0.00 -0.70 0.09 -0.51 -0.65 0.00 0.00 175.02 173.26 1fkr s LEU 30 N -3.28 2.96 0.05 4.11 1.43 -1.13 -1.84 118.68 120.98 1fkr s LEU 30 Ca 0.35 -1.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.10 1fkr s LEU 30 Cb 0.01 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1fkr s LEU 30 CO 0.22 -0.52 0.51 -0.62 0.23 0.00 0.00 176.35 176.17 1fkr n GLU 31 N -1.12 -0.14 -2.68 1.70 -0.58 -1.25 -3.58 120.64 112.99 1fkr n GLU 31 Ca -0.04 0.50 -0.05 0.00 -0.42 0.00 0.00 57.16 57.15 1fkr n GLU 31 Cb 0.66 -0.73 0.12 0.00 -0.57 0.00 0.00 31.44 30.92 1fkr n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1fkr n ASP 32 N -4.34 -1.72 0.00 1.62 5.75 -1.26 -5.05 116.55 111.54 1fkr n ASP 32 Ca 0.01 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1fkr n ASP 32 Cb 0.08 0.89 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 1fkr n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkr n GLY 33 N -0.97 0.25 1.91 6.12 0.00 -1.23 -5.16 105.19 106.10 1fkr n GLY 33 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 1fkr n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1fkr n LYS 34 N -0.54 0.55 -3.36 1.61 -0.00 -1.26 -4.98 118.16 110.17 1fkr n LYS 34 Ca 0.00 -1.08 -0.38 0.00 -0.00 0.00 0.00 58.31 56.85 1fkr n LYS 34 Cb 0.00 1.36 -0.06 0.00 -0.00 0.00 0.00 35.03 36.33 1fkr n LYS 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1fkr s LYS 35 N -2.04 4.15 -0.05 -1.58 0.00 -1.26 -2.83 119.74 116.11 1fkr s LYS 35 Ca 0.08 0.54 0.01 0.00 0.00 0.00 0.00 55.97 56.61 1fkr s LYS 35 Cb -0.02 -3.30 -0.04 0.00 0.00 0.00 0.00 37.83 34.47 1fkr s LYS 35 CO 0.06 0.50 -0.03 1.97 0.00 0.00 0.00 175.35 177.85 1fkr n PHE 36 N 2.38 0.00 -3.63 1.78 1.16 -1.21 -4.96 117.46 112.99 1fkr n PHE 36 Ca -0.10 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.21 1fkr n PHE 36 Cb 0.52 -0.21 -0.17 0.00 -1.61 0.00 0.00 39.48 38.00 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 -4.27 2.47 0.37 5.98 1.01 -1.25 -4.97 116.67 116.00 1fkr s ASP 37 Ca -0.06 -0.67 0.08 0.00 0.71 0.00 0.00 52.55 52.61 1fkr s ASP 37 Cb 0.02 -0.30 -0.07 0.00 1.01 0.00 0.00 42.92 43.58 1fkr s ASP 37 CO 0.14 -0.35 -0.03 -0.44 0.21 0.00 0.00 175.17 174.70 1fkr s SER 38 N 2.10 3.60 -0.22 0.27 0.01 -1.26 -0.45 113.70 117.74 1fkr s SER 38 Ca 0.02 -1.29 0.11 0.00 1.31 0.00 0.00 55.95 56.11 1fkr s SER 38 Cb -0.16 -0.33 0.43 0.00 0.21 0.00 0.00 66.02 66.16 1fkr s SER 38 CO -0.10 -0.36 1.27 -1.54 0.41 0.00 0.00 173.24 172.92 1fkr n SER 39 N -0.84 1.98 -0.15 2.44 3.41 -1.06 -4.88 113.62 114.52 1fkr n SER 39 Ca -0.05 -3.78 -0.04 0.00 -0.26 0.00 0.00 58.87 54.74 1fkr n SER 39 Cb 0.65 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1fkr n SER 39 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fkr n ARG 40 N -1.14 -0.16 0.00 4.33 1.74 -1.26 -4.41 116.66 115.76 1fkr n ARG 40 Ca 0.22 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 1fkr n ARG 40 Cb 0.76 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.19 1fkr n ARG 40 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1fkr n ASP 41 N -4.01 0.00 0.00 0.55 9.92 -1.26 -4.74 116.55 117.00 1fkr n ASP 41 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1fkr n ASP 41 Cb 0.09 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 1fkr n ASP 41 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1fkr n ARG 42 N 0.00 0.00 0.00 -1.24 1.74 -1.26 -2.59 116.66 113.31 1fkr n ARG 42 Ca 0.00 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1fkr n ARG 42 Cb 0.00 -0.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 1fkr n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1fkr n ASN 43 N -1.56 0.00 -3.97 0.55 5.15 -1.26 -4.14 115.26 110.04 1fkr n ASN 43 Ca 0.00 0.10 -0.30 0.00 -0.60 0.00 0.00 54.58 53.78 1fkr n ASN 43 Cb 0.00 -0.04 -0.16 0.00 -0.53 0.00 0.00 39.78 39.05 1fkr n ASN 43 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1fkr s LYS 44 N -2.36 1.88 0.00 1.20 2.47 -1.07 -5.14 119.74 116.72 1fkr s LYS 44 Ca 0.00 -0.76 0.00 0.00 -1.56 0.00 0.00 55.97 53.65 1fkr s LYS 44 Cb 0.00 -2.31 0.00 0.00 -1.46 0.00 0.00 37.83 34.06 1fkr s LYS 44 CO 0.00 -0.43 0.00 -2.30 0.16 0.00 0.00 175.35 172.78 1fkr n PRO 45 N 4.73 3.27 -4.17 4.03 -0.02 -1.26 -4.84 135.00 136.75 1fkr n PRO 45 Ca -0.14 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.04 1fkr n PRO 45 Cb 0.47 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.86 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 2.90 -0.07 6.00 5.36 0.82 -5.00 117.98 127.98 1fkr s PHE 46 Ca 0.00 -0.07 -0.06 0.00 -0.96 0.00 0.00 56.93 55.84 1fkr s PHE 46 Cb 0.00 -1.50 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1fkr s PHE 46 CO 0.00 0.46 0.19 0.15 -1.46 0.00 0.00 175.22 174.56 1fkr s LYS 47 N -2.26 0.20 0.17 10.12 1.02 -1.26 0.15 119.74 127.89 1fkr s LYS 47 Ca 0.24 0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.54 1fkr s LYS 47 Cb -0.11 0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 1fkr s LYS 47 CO 0.16 -0.06 0.04 -0.59 -0.92 0.00 0.00 175.35 173.98 1fkr s PHE 48 N 0.39 1.16 -0.63 3.18 -0.12 -0.74 -4.93 117.98 116.29 1fkr s PHE 48 Ca -0.02 -1.12 0.02 0.00 -0.05 0.00 0.00 56.93 55.76 1fkr s PHE 48 Cb -0.04 -0.66 0.16 0.00 -0.63 0.00 0.00 43.02 41.85 1fkr s PHE 48 CO -0.02 -0.33 0.41 1.41 -0.05 0.00 0.00 175.22 176.64 1fkr s MET 49 N -3.98 2.37 -0.15 1.99 -2.45 -1.26 0.52 119.30 116.35 1fkr s MET 49 Ca 0.27 -2.84 -0.26 0.00 -1.25 0.00 0.00 55.69 51.60 1fkr s MET 49 Cb 0.07 -3.51 -0.12 0.00 1.25 0.00 0.00 34.83 32.51 1fkr s MET 49 CO 0.05 -1.18 0.81 -0.11 1.05 0.00 0.00 175.02 175.64 1fkr n LEU 50 N 2.85 0.36 0.00 4.11 7.94 -1.25 -2.97 117.00 128.03 1fkr n LEU 50 Ca 0.11 0.71 0.00 0.00 -1.11 0.00 0.00 56.01 55.72 1fkr n LEU 50 Cb 0.35 -0.55 0.00 0.00 0.53 0.00 0.00 43.42 43.75 1fkr n LEU 50 CO 0.33 -0.84 0.00 0.61 -1.11 0.00 0.00 177.39 176.37 1fkr n GLY 51 N 1.65 1.15 2.22 -3.96 0.00 -1.26 -4.32 105.19 100.67 1fkr n GLY 51 Ca 0.15 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 3.44 -0.54 1.61 4.81 -1.16 -4.99 118.16 121.33 1fkr n LYS 52 Ca 0.00 -4.25 0.00 0.00 -0.87 0.00 0.00 58.31 53.19 1fkr n LYS 52 Cb 0.00 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 32.82 1fkr n LYS 52 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1fkr n GLN 53 N -0.61 -0.12 0.20 1.64 7.27 -1.26 -4.64 117.38 119.86 1fkr n GLN 53 Ca 0.40 -0.06 0.08 0.00 0.07 0.00 0.00 57.00 57.49 1fkr n GLN 53 Cb 0.85 0.11 0.38 0.00 2.41 0.00 0.00 30.24 33.99 1fkr n GLN 53 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1fkr h GLU 54 N 0.41 0.00 -6.34 3.69 4.81 -1.94 -3.43 114.58 111.77 1fkr h GLU 54 Ca 0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 1fkr h GLU 54 Cb 0.00 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.26 1fkr h GLU 54 CO 0.00 0.29 -0.69 0.14 -0.73 0.00 0.00 179.01 178.02 1fkr s VAL 55 N -3.59 3.30 1.28 0.32 -7.23 -1.26 -5.11 120.40 108.11 1fkr s VAL 55 Ca 0.01 -1.75 -0.16 0.00 -1.81 0.00 0.00 61.98 58.27 1fkr s VAL 55 Cb 0.10 -2.69 0.33 0.00 0.56 0.00 0.00 36.38 34.69 1fkr s VAL 55 CO 0.66 -0.21 0.98 0.27 -0.31 0.00 0.00 175.10 176.49 1fkr s ILE 56 N -1.94 1.73 0.02 -0.62 -4.36 -1.26 -4.68 121.20 110.09 1fkr s ILE 56 Ca 0.27 0.00 -0.27 0.00 -0.26 0.00 0.00 60.65 60.39 1fkr s ILE 56 Cb -0.08 -2.01 -0.15 0.00 1.25 0.00 0.00 42.46 41.47 1fkr s ILE 56 CO 0.17 0.00 1.13 -0.09 0.24 0.00 0.00 174.94 176.39 1fkr h ARG 57 N -3.02 -0.95 -0.61 0.37 2.43 -1.79 -2.50 114.38 108.30 1fkr h ARG 57 Ca -0.57 0.06 0.20 0.00 -0.81 0.00 0.00 59.98 58.86 1fkr h ARG 57 Cb 1.34 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 31.06 1fkr h ARG 57 CO 0.43 -0.63 0.41 0.41 -1.51 0.00 0.00 179.97 179.07 1fkr n GLY 58 N -0.72 -0.36 0.00 2.80 0.00 0.46 -0.17 105.19 107.21 1fkr n GLY 58 Ca -0.12 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.34 0.00 -0.15 1.61 7.02 -1.18 -1.14 117.44 120.26 1fkr n TRP 59 Ca 0.17 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.68 1fkr n TRP 59 Cb 0.68 -0.01 0.07 0.00 -2.42 0.00 0.00 31.31 29.63 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 -0.67 -0.04 -0.02 -0.99 2.13 0.34 0.26 120.64 121.66 1fkr n GLU 60 Ca 0.00 0.66 -0.09 0.00 0.66 0.00 0.00 57.16 58.39 1fkr n GLU 60 Cb 0.00 -0.99 -0.07 0.00 0.27 0.00 0.00 31.44 30.65 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 -0.08 0.00 5.31 4.57 -0.76 -2.41 114.58 121.22 1fkr h GLU 61 Ca 0.21 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1fkr h GLU 61 Cb 0.35 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1fkr h GLU 61 CO -0.43 0.42 0.00 0.41 -1.18 0.00 0.00 179.01 178.23 1fkr n GLY 62 N 1.28 -2.96 0.31 1.92 0.00 0.73 -1.53 105.19 104.94 1fkr n GLY 62 Ca -0.06 0.25 0.16 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.54 -0.38 -0.25 1.61 0.31 0.74 0.19 118.33 119.01 1fkr n VAL 63 Ca 0.00 1.99 0.04 0.00 -0.01 0.00 0.00 64.34 66.36 1fkr n VAL 63 Cb 0.00 -2.96 0.17 0.00 -0.91 0.00 0.00 33.84 30.14 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 1.83 1.03 0.00 3.52 0.00 -1.00 0.53 119.26 125.17 1fkr h ALA 64 Ca 0.59 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1fkr h ALA 64 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1fkr h ALA 64 CO -0.84 -0.14 0.00 0.94 0.00 0.00 0.00 179.25 179.21 1fkr n GLN 65 N -4.94 0.73 -4.34 0.00 7.27 0.51 -4.63 117.38 111.99 1fkr n GLN 65 Ca 0.13 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.90 1fkr n GLN 65 Cb 0.36 -1.06 -0.12 0.00 2.41 0.00 0.00 30.24 31.83 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 -2.00 1.77 0.18 3.69 -1.94 0.18 -5.05 119.30 116.13 1fkr s MET 66 Ca 0.04 -1.18 0.10 0.00 -1.71 0.00 0.00 55.69 52.94 1fkr s MET 66 Cb 0.02 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 1fkr s MET 66 CO 0.03 0.48 -0.15 -1.54 -0.01 0.00 0.00 175.02 173.83 1fkr s SER 67 N -2.09 3.93 -0.92 3.03 1.04 -1.26 -4.50 113.70 112.93 1fkr s SER 67 Ca 0.17 -0.68 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 1fkr s SER 67 Cb -0.11 -0.54 -0.20 0.00 0.10 0.00 0.00 66.02 65.28 1fkr s SER 67 CO 0.09 0.12 2.65 0.52 0.98 0.00 0.00 173.24 177.60 1fkr n VAL 68 N 0.20 -0.01 0.00 5.02 0.31 -0.22 -0.05 118.33 123.58 1fkr n VAL 68 Ca -0.12 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1fkr n VAL 68 Cb 0.55 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 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 6.43 0.98 3.62 2.92 0.00 -1.01 -4.26 105.19 113.87 1fkr n GLY 69 Ca 0.62 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.49 2.58 0.04 1.61 -0.44 0.93 -4.02 119.66 119.87 1fkr s GLN 70 Ca 0.00 -0.73 0.06 0.00 -2.50 0.00 0.00 55.36 52.19 1fkr s GLN 70 Cb 0.00 -2.53 -0.02 0.00 -1.64 0.00 0.00 33.01 28.82 1fkr s GLN 70 CO 0.00 0.60 -0.16 -0.98 0.50 0.00 0.00 175.29 175.24 1fkr s ARG 71 N -1.57 1.09 0.27 1.67 1.70 -1.06 -2.19 118.95 118.86 1fkr s ARG 71 Ca 0.19 -0.82 0.03 0.00 -0.47 0.00 0.00 55.73 54.65 1fkr s ARG 71 Cb -0.11 -1.14 -0.01 0.00 -0.57 0.00 0.00 34.95 33.12 1fkr s ARG 71 CO 0.09 0.28 0.30 0.00 -1.08 0.00 0.00 175.30 174.90 1fkr n ALA 72 N 1.87 0.17 -3.93 7.88 0.00 0.51 -0.75 120.51 126.27 1fkr n ALA 72 Ca -0.18 -1.43 -0.30 0.00 0.00 0.00 0.00 53.44 51.53 1fkr n ALA 72 Cb 0.54 1.15 -0.15 0.00 0.00 0.00 0.00 19.45 20.99 1fkr n ALA 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1fkr s LYS 73 N -2.87 1.48 -0.05 0.00 2.20 0.56 -1.02 119.74 120.04 1fkr s LYS 73 Ca 0.28 -1.16 -0.04 0.00 -0.36 0.00 0.00 55.97 54.69 1fkr s LYS 73 Cb 0.00 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 1fkr s LYS 73 CO 0.20 -0.71 0.14 -0.51 -0.36 0.00 0.00 175.35 174.10 1fkr s LEU 74 N 1.34 4.24 -0.23 5.43 1.43 -0.55 -1.84 118.68 128.49 1fkr s LEU 74 Ca -0.01 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1fkr s LEU 74 Cb -0.19 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1fkr s LEU 74 CO -0.09 0.32 -0.08 -0.89 0.23 0.00 0.00 176.35 175.84 1fkr s THR 75 N -1.17 2.87 -0.03 5.49 2.01 -1.02 -1.53 115.64 122.25 1fkr s THR 75 Ca 0.21 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1fkr s THR 75 Cb -0.12 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1fkr s THR 75 CO 0.12 0.30 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.65 1fkr s ILE 76 N 1.35 3.65 0.24 1.82 1.01 -0.42 -1.83 121.20 127.03 1fkr s ILE 76 Ca 0.02 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.11 1fkr s ILE 76 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 1fkr s ILE 76 CO -0.05 0.48 -0.06 -0.94 0.00 0.00 0.00 174.94 174.37 1fkr s SER 77 N -1.15 4.34 0.16 3.58 1.04 -1.24 -2.22 113.70 118.20 1fkr s SER 77 Ca 0.15 -0.67 -0.15 0.00 0.48 0.00 0.00 55.95 55.75 1fkr s SER 77 Cb -0.11 -0.74 0.13 0.00 0.10 0.00 0.00 66.02 65.40 1fkr s SER 77 CO 0.05 0.04 1.16 -0.81 0.98 0.00 0.00 173.24 174.66 1fkr n PRO 78 N -0.58 -0.21 -0.32 4.02 -0.04 -1.26 0.18 135.00 136.79 1fkr n PRO 78 Ca -0.08 1.15 0.24 0.00 -0.04 0.00 0.00 63.50 64.77 1fkr n PRO 78 Cb 0.58 -1.70 0.46 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.17 -0.40 3.54 2.03 -1.94 0.13 116.42 119.94 1fkr h ASP 79 Ca 0.23 0.24 -0.07 0.00 -0.73 0.00 0.00 57.03 56.70 1fkr h ASP 79 Cb 0.42 0.28 -0.04 0.00 -0.83 0.00 0.00 39.33 39.16 1fkr h ASP 79 CO -0.74 -0.30 0.04 -1.22 -1.03 0.00 0.00 179.24 175.99 1fkr n TYR 80 N -5.25 1.39 0.00 4.15 4.02 0.13 -4.91 117.16 116.69 1fkr n TYR 80 Ca 0.31 -1.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.17 1fkr n TYR 80 Cb 1.01 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 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 -0.40 0.00 0.02 -0.72 0.00 0.46 -0.41 120.51 119.47 1fkr n ALA 81 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.70 1fkr n ALA 81 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.49 1fkr n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fkr n TYR 82 N 0.00 0.00 0.00 0.00 4.01 -1.25 -4.51 117.16 115.41 1fkr n TYR 82 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1fkr n TYR 82 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1fkr n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fkr n GLY 83 N 3.15 2.74 0.00 2.72 0.00 -1.26 -4.71 105.19 107.83 1fkr n GLY 83 Ca -0.02 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.13 0.00 -3.92 4.61 0.00 -1.26 -1.51 120.51 118.30 1fkr n ALA 84 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1fkr n ALA 84 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 -4.41 2.37 0.00 0.00 2.01 -1.26 -2.14 115.64 112.21 1fkr s THR 85 Ca 0.00 -3.09 0.00 0.00 0.31 0.00 0.00 61.69 58.91 1fkr s THR 85 Cb 0.00 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.85 1fkr s THR 85 CO 0.00 -0.79 0.00 0.61 -0.69 0.00 0.00 174.62 173.75 1fkr n GLY 86 N 3.31 1.14 2.47 4.40 0.00 -0.57 -4.95 105.19 111.00 1fkr n GLY 86 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1fkr n GLY 86 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1fkr n HIS 87 N 0.00 1.82 -0.76 1.61 -0.00 -1.25 -5.03 115.22 111.61 1fkr n HIS 87 Ca 0.00 -3.91 -0.21 0.00 -0.00 0.00 0.00 57.72 53.60 1fkr n HIS 87 Cb 0.00 -0.39 -0.08 0.00 -0.00 0.00 0.00 29.99 29.53 1fkr n HIS 87 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1fkr n PRO 88 N 1.58 0.00 0.00 1.57 -0.02 -1.26 -0.59 135.00 136.27 1fkr n PRO 88 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1fkr n PRO 88 Cb 0.44 -0.76 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 1fkr n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fkr n GLY 89 N 3.34 1.27 0.54 -1.23 0.00 -1.26 -4.94 105.19 102.90 1fkr n GLY 89 Ca 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.54 -3.72 -0.61 5.41 0.24 -4.90 119.36 116.32 1fkr n ILE 90 Ca 0.00 0.26 -0.37 0.00 1.00 0.00 0.00 62.75 63.64 1fkr n ILE 90 Cb 0.00 -1.53 -0.10 0.00 -0.71 0.00 0.00 39.64 37.30 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 -1.57 3.71 0.66 1.39 1.09 -1.23 -4.69 121.20 120.55 1fkr s ILE 91 Ca -0.06 -2.86 -0.17 0.00 -1.10 0.00 0.00 60.65 56.46 1fkr s ILE 91 Cb 0.01 -3.43 -0.15 0.00 -1.06 0.00 0.00 42.46 37.83 1fkr s ILE 91 CO 0.08 -0.86 -0.36 -2.65 -0.10 0.00 0.00 174.94 171.05 1fkr n PRO 92 N 3.60 0.00 -0.70 2.79 -0.02 -1.26 -3.83 135.00 135.58 1fkr n PRO 92 Ca 0.07 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.22 1fkr n PRO 92 Cb 0.38 -0.97 0.16 0.00 -0.02 0.00 0.00 33.50 33.05 1fkr n PRO 92 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1fkr n PRO 93 N 1.81 -1.42 -1.46 0.52 -0.04 -1.26 -3.90 135.00 129.24 1fkr n PRO 93 Ca 0.04 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1fkr n PRO 93 Cb 0.49 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1fkr n PRO 93 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1fkr n HIS 94 N -4.32 0.00 -4.37 0.54 1.44 -0.91 -4.88 115.22 102.72 1fkr n HIS 94 Ca 0.01 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.43 1fkr n HIS 94 Cb 0.63 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.61 1fkr n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fkr s ALA 95 N -1.63 2.51 0.12 1.59 0.00 -1.25 -5.00 121.76 118.10 1fkr s ALA 95 Ca 0.00 -1.41 -0.13 0.00 0.00 0.00 0.00 51.96 50.42 1fkr s ALA 95 Cb 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 23.12 22.55 1fkr s ALA 95 CO 0.00 0.56 0.51 0.99 0.00 0.00 0.00 175.76 177.82 1fkr s THR 96 N -1.09 4.92 0.20 0.00 2.01 -1.26 -4.45 115.64 115.97 1fkr s THR 96 Ca 0.16 0.76 0.09 0.00 0.31 0.00 0.00 61.69 63.01 1fkr s THR 96 Cb -0.10 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1fkr s THR 96 CO 0.08 0.28 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.43 1fkr s LEU 97 N -1.88 2.93 -0.31 4.42 1.43 -0.94 -3.91 118.68 120.43 1fkr s LEU 97 Ca 0.36 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1fkr s LEU 97 Cb -0.15 -1.58 0.11 0.00 0.03 0.00 0.00 46.19 44.60 1fkr s LEU 97 CO 0.19 0.08 0.15 -0.69 0.23 0.00 0.00 176.35 176.31 1fkr s VAL 98 N -1.87 0.04 0.52 -1.59 1.01 -0.76 -1.30 120.40 116.46 1fkr s VAL 98 Ca 0.26 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1fkr s VAL 98 Cb -0.08 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1fkr s VAL 98 CO 0.15 -0.79 0.76 -0.36 0.00 0.00 0.00 175.10 174.87 1fkr s PHE 99 N 1.83 3.06 -0.47 5.22 0.40 -0.58 -3.62 117.98 123.81 1fkr s PHE 99 Ca 0.11 0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.66 1fkr s PHE 99 Cb -0.18 -2.59 0.15 0.00 0.51 0.00 0.00 43.02 40.91 1fkr s PHE 99 CO -0.28 -0.68 0.29 -0.51 0.70 0.00 0.00 175.22 174.75 1fkr s ASP 100 N -4.33 3.47 0.06 1.36 1.01 -0.93 -1.48 116.67 115.83 1fkr s ASP 100 Ca 0.53 -2.87 0.00 0.00 0.71 0.00 0.00 52.55 50.92 1fkr s ASP 100 Cb -0.10 -1.02 -0.04 0.00 1.01 0.00 0.00 42.92 42.77 1fkr s ASP 100 CO 0.39 -0.22 0.19 -0.69 0.21 0.00 0.00 175.17 175.05 1fkr s VAL 101 N 0.05 5.27 -0.31 -1.27 1.01 -0.19 -3.00 120.40 121.95 1fkr s VAL 101 Ca 0.21 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1fkr s VAL 101 Cb -0.17 -3.56 0.09 0.00 0.00 0.00 0.00 36.38 32.75 1fkr s VAL 101 CO -0.05 0.15 0.05 -0.70 0.00 0.00 0.00 175.10 174.55 1fkr s GLU 102 N -2.47 1.18 -0.32 2.72 2.12 -0.74 -0.36 118.70 120.84 1fkr s GLU 102 Ca 0.34 -1.41 -0.29 0.00 0.36 0.00 0.00 54.97 53.97 1fkr s GLU 102 Cb -0.13 -2.61 -0.00 0.00 0.26 0.00 0.00 34.13 31.65 1fkr s GLU 102 CO 0.27 -0.91 1.37 -1.17 -0.54 0.00 0.00 175.26 174.28 1fkr s LEU 103 N 1.27 3.81 -0.09 2.70 2.96 -0.93 -2.49 118.68 125.91 1fkr s LEU 103 Ca 0.08 1.17 -0.17 0.00 -0.22 0.00 0.00 54.13 54.99 1fkr s LEU 103 Cb -0.18 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 1fkr s LEU 103 CO -0.15 -1.19 0.58 -0.07 -1.32 0.00 0.00 176.35 174.20 1fkr h LEU 104 N 11.31 -0.10 0.00 -0.68 3.38 -0.32 -2.69 115.31 126.21 1fkr h LEU 104 Ca -0.27 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1fkr h LEU 104 Cb 1.11 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1fkr h LEU 104 CO 1.04 0.55 0.00 0.29 0.09 0.00 0.00 178.44 180.41 1fkr n LYS 105 N -4.81 0.00 -4.28 1.13 5.02 -1.07 -4.20 118.16 109.95 1fkr n LYS 105 Ca -0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.94 1fkr n LYS 105 Cb 0.24 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.14 1fkr n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fkr s LEU 106 N 0.00 2.81 0.00 -0.35 1.43 -1.26 -0.41 118.68 120.91 1fkr s LEU 106 Ca 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1fkr s LEU 106 Cb 0.00 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.59 1fkr s LEU 106 CO 0.00 0.17 0.14 1.21 0.23 0.00 0.00 176.35 178.11