#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 3.92 0.12 1.61 0.11 -1.26 -3.24 120.40 121.66 1fkr s VAL 2 Ca 0.00 -0.43 0.10 0.00 -2.93 0.00 0.00 61.98 58.71 1fkr s VAL 2 Cb 0.00 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.18 1fkr s VAL 2 CO 0.00 0.57 -0.22 -1.58 -3.33 0.00 0.00 175.10 170.54 1fkr s GLN 3 N -0.92 1.64 -0.32 1.54 -0.44 -0.83 -4.97 119.66 115.35 1fkr s GLN 3 Ca 0.13 -1.24 0.02 0.00 -2.50 0.00 0.00 55.36 51.78 1fkr s GLN 3 Cb -0.11 -2.03 0.09 0.00 -1.64 0.00 0.00 33.01 29.33 1fkr s GLN 3 CO 0.03 0.47 0.04 0.08 0.50 0.00 0.00 175.29 176.41 1fkr s VAL 4 N -1.09 1.85 -0.41 1.34 1.01 -1.26 -2.33 120.40 119.50 1fkr s VAL 4 Ca 0.16 -1.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.07 1fkr s VAL 4 Cb -0.10 -2.32 0.05 0.00 0.00 0.00 0.00 36.38 34.01 1fkr s VAL 4 CO 0.08 -0.53 0.27 -0.70 0.00 0.00 0.00 175.10 174.23 1fkr s GLU 5 N 1.14 2.83 0.44 2.72 2.12 -0.92 -4.98 118.70 122.05 1fkr s GLU 5 Ca 0.08 -1.21 -0.13 0.00 0.36 0.00 0.00 54.97 54.06 1fkr s GLU 5 Cb -0.19 -3.87 -0.07 0.00 0.26 0.00 0.00 34.13 30.26 1fkr s GLU 5 CO -0.12 -0.84 0.85 0.99 -0.54 0.00 0.00 175.26 175.61 1fkr s THR 6 N 1.56 4.67 0.00 -1.70 2.01 -1.26 -0.22 115.64 120.71 1fkr s THR 6 Ca 0.03 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1fkr s THR 6 Cb -0.21 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.58 1fkr s THR 6 CO 0.06 -0.55 0.00 -0.38 -0.69 0.00 0.00 174.62 173.06 1fkr n ILE 7 N -1.31 0.03 -3.84 1.82 5.41 -0.86 -4.90 119.36 115.71 1fkr n ILE 7 Ca 0.04 0.01 -0.28 0.00 1.00 0.00 0.00 62.75 63.52 1fkr n ILE 7 Cb 0.54 -1.29 -0.12 0.00 -0.71 0.00 0.00 39.64 38.06 1fkr n ILE 7 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1fkr n SER 8 N -2.91 2.67 -3.46 4.38 2.88 -1.07 -5.02 113.62 111.09 1fkr n SER 8 Ca 0.00 -3.13 -0.33 0.00 -1.33 0.00 0.00 58.87 54.08 1fkr n SER 8 Cb 0.38 -0.74 0.03 0.00 -0.75 0.00 0.00 64.21 63.14 1fkr n SER 8 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1fkr n PRO 9 N 2.03 0.00 -1.97 -1.46 -0.02 -1.26 -2.29 135.00 130.04 1fkr n PRO 9 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1fkr n PRO 9 Cb 0.36 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 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 3.03 4.24 0.39 -1.23 0.00 -1.26 -4.40 105.19 105.95 1fkr n GLY 10 Ca -0.02 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.22 -0.98 0.00 1.61 5.75 -1.25 -4.82 116.55 115.64 1fkr n ASP 11 Ca 0.00 1.71 0.00 0.00 -0.01 0.00 0.00 54.79 56.49 1fkr n ASP 11 Cb 0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 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 -1.23 1.26 0.00 6.12 0.00 -1.26 -4.95 105.19 105.12 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 -1.28 0.82 -4.41 1.61 1.74 -1.26 -5.08 116.66 108.80 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 -0.78 -0.10 0.00 -1.02 0.00 0.00 32.46 30.56 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 -1.56 4.18 0.38 0.55 2.01 -1.26 -5.07 115.64 114.87 1fkr s THR 14 Ca 0.00 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1fkr s THR 14 Cb 0.00 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1fkr s THR 14 CO 0.00 0.59 0.13 -0.36 -0.69 0.00 0.00 174.62 174.28 1fkr s PHE 15 N -0.67 1.78 0.18 4.92 0.40 -1.26 -1.47 117.98 121.85 1fkr s PHE 15 Ca 0.11 -1.26 -0.30 0.00 -0.60 0.00 0.00 56.93 54.87 1fkr s PHE 15 Cb -0.12 -1.12 -0.08 0.00 0.51 0.00 0.00 43.02 42.21 1fkr s PHE 15 CO 0.02 -0.30 1.31 -2.14 0.70 0.00 0.00 175.22 174.81 1fkr s PRO 16 N -3.75 4.38 0.31 0.24 0.02 -1.26 -4.86 135.00 130.09 1fkr s PRO 16 Ca 0.28 2.04 0.11 0.00 0.02 0.00 0.00 61.00 63.44 1fkr s PRO 16 Cb 0.04 -3.21 -0.06 0.00 0.02 0.00 0.00 34.50 31.29 1fkr s PRO 16 CO 0.15 -0.27 -0.14 0.15 -0.33 0.00 0.00 177.00 176.56 1fkr s LYS 17 N 0.10 1.79 0.48 5.54 1.02 -1.26 -4.98 119.74 122.43 1fkr s LYS 17 Ca 0.58 -1.82 -0.24 0.00 0.02 0.00 0.00 55.97 54.50 1fkr s LYS 17 Cb -0.36 -1.77 -0.07 0.00 -0.52 0.00 0.00 37.83 35.11 1fkr s LYS 17 CO 0.37 0.24 1.37 1.03 -0.92 0.00 0.00 175.35 177.44 1fkr s ARG 18 N -3.57 3.53 0.00 1.68 0.52 -1.26 -2.62 118.95 117.23 1fkr s ARG 18 Ca 0.31 2.28 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 1fkr s ARG 18 Cb -0.02 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.94 1fkr s ARG 18 CO 0.16 -0.89 0.00 0.41 0.02 0.00 0.00 175.30 175.00 1fkr n GLY 19 N 0.63 2.21 3.89 -3.53 0.00 -1.26 -5.06 105.19 102.08 1fkr n GLY 19 Ca 0.07 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 2.29 -0.17 1.61 -0.21 -1.08 -5.08 119.66 117.02 1fkr s GLN 20 Ca 0.00 -1.93 -0.01 0.00 0.02 0.00 0.00 55.36 53.44 1fkr s GLN 20 Cb 0.00 -2.15 -0.01 0.00 1.00 0.00 0.00 33.01 31.86 1fkr s GLN 20 CO 0.00 -0.54 -0.12 0.99 -2.12 0.00 0.00 175.29 173.50 1fkr s THR 21 N -2.72 2.93 0.59 -0.19 2.01 -1.26 -3.93 115.64 113.08 1fkr s THR 21 Ca 0.37 -0.67 -0.18 0.00 0.31 0.00 0.00 61.69 61.53 1fkr s THR 21 Cb -0.02 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 1fkr s THR 21 CO 0.23 0.49 1.12 0.00 -0.69 0.00 0.00 174.62 175.78 1fkr s VAL 23 N -2.00 1.28 0.08 0.00 1.01 0.75 -1.44 120.40 120.08 1fkr s VAL 23 Ca 0.70 -1.28 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1fkr s VAL 23 Cb -0.23 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1fkr s VAL 23 CO 0.33 -0.31 -0.20 0.68 0.00 0.00 0.00 175.10 175.60 1fkr s VAL 24 N 1.47 1.64 -0.01 2.92 -7.23 0.14 0.59 120.40 119.91 1fkr s VAL 24 Ca 0.01 -1.40 0.07 0.00 -1.81 0.00 0.00 61.98 58.84 1fkr s VAL 24 Cb -0.18 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 1fkr s VAL 24 CO -0.11 0.01 -0.22 -2.28 -0.31 0.00 0.00 175.10 172.18 1fkr s HIS 25 N -1.05 2.00 0.33 2.82 2.46 -0.89 0.24 115.29 121.21 1fkr s HIS 25 Ca 0.06 -0.38 -0.18 0.00 0.47 0.00 0.00 55.06 55.03 1fkr s HIS 25 Cb -0.10 -1.28 0.04 0.00 -0.13 0.00 0.00 32.58 31.11 1fkr s HIS 25 CO 0.03 -0.02 0.76 1.52 -2.47 0.00 0.00 174.74 174.56 1fkr s TYR 26 N -0.55 -0.02 -0.08 3.88 1.13 -1.26 -0.89 117.35 119.56 1fkr s TYR 26 Ca 0.09 -0.55 -0.02 0.00 -1.41 0.00 0.00 57.07 55.18 1fkr s TYR 26 Cb -0.09 0.78 0.03 0.00 -1.10 0.00 0.00 41.96 41.58 1fkr s TYR 26 CO -0.01 -1.41 0.02 0.99 -2.51 0.00 0.00 175.55 172.63 1fkr s THR 27 N -3.05 0.26 -0.13 -3.49 2.01 -1.12 -2.54 115.64 107.57 1fkr s THR 27 Ca 0.13 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 1fkr s THR 27 Cb -0.05 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1fkr s THR 27 CO 0.09 0.18 0.05 -0.83 -0.69 0.00 0.00 174.62 173.42 1fkr s GLY 28 N 2.02 1.92 0.32 4.40 0.00 0.96 -1.83 107.32 115.10 1fkr s GLY 28 Ca 0.04 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 44.08 1fkr s GLY 28 CO -0.05 -0.26 0.28 1.06 0.00 0.00 0.00 173.10 174.13 1fkr s MET 29 N -0.33 1.73 0.49 2.90 -1.94 -1.06 -3.70 119.30 117.39 1fkr s MET 29 Ca 0.08 -1.99 0.04 0.00 -1.71 0.00 0.00 55.69 52.11 1fkr s MET 29 Cb -0.12 0.33 -0.02 0.00 2.01 0.00 0.00 34.83 37.03 1fkr s MET 29 CO 0.02 -0.64 0.14 -0.51 -0.01 0.00 0.00 175.02 174.02 1fkr s LEU 30 N -3.36 2.64 0.07 -0.03 1.43 -1.08 -2.19 118.68 116.17 1fkr s LEU 30 Ca 0.40 -1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 51.97 1fkr s LEU 30 Cb 0.03 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 1fkr s LEU 30 CO 0.27 -0.81 0.93 -0.62 0.23 0.00 0.00 176.35 176.35 1fkr n GLU 31 N -1.36 -0.20 -2.35 1.70 1.02 -1.26 -4.12 120.64 114.07 1fkr n GLU 31 Ca -0.09 0.92 -0.03 0.00 -0.02 0.00 0.00 57.16 57.94 1fkr n GLU 31 Cb 0.66 -1.36 0.09 0.00 -0.02 0.00 0.00 31.44 30.82 1fkr n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1fkr n ASP 32 N -4.10 -1.33 0.00 1.62 5.75 -1.26 -5.07 116.55 112.16 1fkr n ASP 32 Ca 0.01 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 1fkr n ASP 32 Cb 0.12 0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 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 -1.25 0.33 3.28 6.12 0.00 -1.26 -5.16 105.19 107.25 1fkr n GLY 33 Ca -0.19 0.00 -0.17 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 1.50 -0.01 1.61 3.01 -1.26 -4.98 119.74 119.60 1fkr s LYS 34 Ca 0.00 -1.84 -0.17 0.00 -1.01 0.00 0.00 55.97 52.95 1fkr s LYS 34 Cb 0.00 0.13 -0.06 0.00 -1.01 0.00 0.00 37.83 36.89 1fkr s LYS 34 CO 0.00 -0.48 0.47 -1.59 0.51 0.00 0.00 175.35 174.27 1fkr s LYS 35 N -3.84 4.12 -0.01 1.68 -2.85 -1.26 -2.62 119.74 114.95 1fkr s LYS 35 Ca 0.38 0.52 0.01 0.00 -1.00 0.00 0.00 55.97 55.87 1fkr s LYS 35 Cb 0.05 -3.29 -0.01 0.00 -2.06 0.00 0.00 37.83 32.52 1fkr s LYS 35 CO 0.18 0.52 -0.00 1.97 0.10 0.00 0.00 175.35 178.12 1fkr n PHE 36 N 2.34 0.00 -3.55 1.78 -1.74 -1.24 -4.98 117.46 110.06 1fkr n PHE 36 Ca -0.11 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.54 1fkr n PHE 36 Cb 0.52 -0.06 -0.15 0.00 1.52 0.00 0.00 39.48 41.31 1fkr n PHE 36 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1fkr s ASP 37 N -3.54 2.27 0.38 5.98 1.01 -1.26 -5.07 116.67 116.44 1fkr s ASP 37 Ca -0.01 -0.64 0.08 0.00 0.71 0.00 0.00 52.55 52.68 1fkr s ASP 37 Cb 0.00 -0.06 -0.07 0.00 1.01 0.00 0.00 42.92 43.81 1fkr s ASP 37 CO 0.04 -0.36 -0.03 -0.44 0.21 0.00 0.00 175.17 174.59 1fkr s SER 38 N 2.19 3.75 -0.64 0.27 0.01 -1.26 -0.03 113.70 118.00 1fkr s SER 38 Ca 0.05 -1.30 0.05 0.00 1.31 0.00 0.00 55.95 56.05 1fkr s SER 38 Cb -0.16 -0.37 0.31 0.00 0.21 0.00 0.00 66.02 66.02 1fkr s SER 38 CO -0.16 -0.36 0.96 -1.54 0.41 0.00 0.00 173.24 172.54 1fkr n SER 39 N -0.89 4.51 0.00 2.44 3.41 -1.05 -4.82 113.62 117.22 1fkr n SER 39 Ca -0.05 -3.61 0.00 0.00 -0.26 0.00 0.00 58.87 54.95 1fkr n SER 39 Cb 0.66 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.12 0.00 0.00 4.33 0.63 -1.26 -4.77 116.66 115.70 1fkr n ARG 40 Ca 0.31 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 1fkr n ARG 40 Cb 0.39 -0.09 0.00 0.00 0.45 0.00 0.00 32.46 33.21 1fkr n ARG 40 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1fkr n ASP 41 N -2.44 0.00 -3.97 6.15 8.00 -1.26 0.94 116.55 123.97 1fkr n ASP 41 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1fkr n ASP 41 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -3.74 3.70 0.00 -1.24 5.12 -1.26 -4.88 116.66 114.36 1fkr n ARG 42 Ca 0.00 -3.72 0.00 0.00 -1.93 0.00 0.00 57.85 52.20 1fkr n ARG 42 Cb 0.00 -2.88 0.00 0.00 -1.16 0.00 0.00 32.46 28.42 1fkr n ARG 42 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1fkr n ASN 43 N 3.75 0.00 -4.42 0.55 4.13 0.27 -4.32 115.26 115.22 1fkr n ASN 43 Ca 0.37 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.30 1fkr n ASN 43 Cb 0.37 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.72 1fkr n ASN 43 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1fkr n LYS 44 N -1.69 -0.16 0.00 3.52 4.01 -1.26 -4.81 118.16 117.76 1fkr n LYS 44 Ca 0.00 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1fkr n LYS 44 Cb 0.00 -1.85 0.00 0.00 -0.51 0.00 0.00 35.03 32.67 1fkr n LYS 44 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1fkr n PRO 45 N -1.46 0.66 -4.28 1.97 -0.04 -1.26 -4.77 135.00 125.82 1fkr n PRO 45 Ca 0.07 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 1fkr n PRO 45 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.20 2.64 -0.03 0.54 5.36 0.14 -5.00 117.98 121.44 1fkr s PHE 46 Ca 0.00 -0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 55.75 1fkr s PHE 46 Cb 0.00 -1.33 0.02 0.00 -0.34 0.00 0.00 43.02 41.37 1fkr s PHE 46 CO 0.00 0.47 0.05 0.15 -1.46 0.00 0.00 175.22 174.43 1fkr s LYS 47 N -2.57 0.01 0.28 10.12 3.01 -1.26 0.25 119.74 129.58 1fkr s LYS 47 Ca 0.23 0.17 0.03 0.00 -1.01 0.00 0.00 55.97 55.40 1fkr s LYS 47 Cb -0.10 -0.15 -0.04 0.00 -1.01 0.00 0.00 37.83 36.54 1fkr s LYS 47 CO 0.14 -0.12 0.20 -0.59 0.51 0.00 0.00 175.35 175.49 1fkr s PHE 48 N 0.75 1.51 -0.09 3.18 -0.12 -0.52 -4.93 117.98 117.77 1fkr s PHE 48 Ca -0.06 -1.50 0.02 0.00 -0.05 0.00 0.00 56.93 55.34 1fkr s PHE 48 Cb -0.09 -0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 41.59 1fkr s PHE 48 CO -0.03 -0.71 -0.16 1.41 -0.05 0.00 0.00 175.22 175.69 1fkr s MET 49 N -3.78 2.90 0.03 1.99 -2.45 -1.26 0.13 119.30 116.86 1fkr s MET 49 Ca 0.39 -0.73 -0.17 0.00 -1.25 0.00 0.00 55.69 53.92 1fkr s MET 49 Cb 0.05 -2.45 -0.06 0.00 1.25 0.00 0.00 34.83 33.62 1fkr s MET 49 CO 0.20 0.40 0.50 -1.17 1.05 0.00 0.00 175.02 176.00 1fkr s LEU 50 N -0.15 4.49 0.00 4.11 2.96 -1.25 -3.77 118.68 125.06 1fkr s LEU 50 Ca -0.02 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 1fkr s LEU 50 Cb -0.14 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.79 1fkr s LEU 50 CO 0.03 0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.94 1fkr n GLY 51 N 1.89 2.67 2.48 7.98 0.00 -1.26 -4.25 105.19 114.70 1fkr n GLY 51 Ca -0.11 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 2.53 -1.84 1.61 3.00 -1.26 -5.03 118.16 117.17 1fkr n LYS 52 Ca 0.00 -3.84 -0.07 0.00 -0.00 0.00 0.00 58.31 54.40 1fkr n LYS 52 Cb 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 35.03 33.16 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 -0.55 -0.36 0.07 1.64 7.27 -1.26 -4.81 117.38 119.37 1fkr n GLN 53 Ca 0.24 0.25 -0.02 0.00 0.07 0.00 0.00 57.00 57.54 1fkr n GLN 53 Cb 0.84 -0.41 -0.07 0.00 2.41 0.00 0.00 30.24 33.02 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 0.50 0.00 -6.58 3.69 4.22 -1.97 -3.46 114.58 110.99 1fkr h GLU 54 Ca -0.12 0.00 -0.65 0.00 0.08 0.00 0.00 59.36 58.67 1fkr h GLU 54 Cb 0.28 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.35 1fkr h GLU 54 CO 0.05 0.57 -0.81 0.14 -2.18 0.00 0.00 179.01 176.78 1fkr s VAL 55 N -2.83 2.45 0.95 0.32 -7.23 -1.26 -5.01 120.40 107.78 1fkr s VAL 55 Ca 0.00 -2.01 -0.17 0.00 -1.81 0.00 0.00 61.98 57.99 1fkr s VAL 55 Cb 0.09 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.86 1fkr s VAL 55 CO 0.79 -0.13 -0.39 2.30 -0.31 0.00 0.00 175.10 177.37 1fkr n ILE 56 N 0.21 0.00 0.19 -0.62 -5.35 -1.26 -4.48 119.36 108.05 1fkr n ILE 56 Ca -0.12 -0.09 -0.10 0.00 -0.27 0.00 0.00 62.75 62.17 1fkr n ILE 56 Cb 0.56 -0.29 -0.05 0.00 -1.74 0.00 0.00 39.64 38.12 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 -1.91 -0.53 -1.22 6.28 9.65 -1.84 -2.13 114.38 122.67 1fkr h ARG 57 Ca -0.32 0.04 0.36 0.00 -1.10 0.00 0.00 59.98 58.95 1fkr h ARG 57 Cb 0.98 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.63 1fkr h ARG 57 CO 0.20 -0.30 0.87 0.41 2.80 0.00 0.00 179.97 183.96 1fkr n GLY 58 N 0.24 -0.62 0.00 2.80 0.00 -0.39 -0.26 105.19 106.96 1fkr n GLY 58 Ca -0.08 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.27 0.00 -0.22 1.61 7.02 -1.23 -2.46 117.44 118.90 1fkr n TRP 59 Ca 0.28 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.79 1fkr n TRP 59 Cb 1.25 -0.07 0.08 0.00 -2.42 0.00 0.00 31.31 30.15 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 -1.56 -0.06 0.08 -0.99 0.00 -0.47 0.27 120.64 117.90 1fkr n GLU 60 Ca 0.00 0.94 -0.09 0.00 0.00 0.00 0.00 57.16 58.01 1fkr n GLU 60 Cb 0.00 -1.40 -0.06 0.00 0.00 0.00 0.00 31.44 29.98 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 -0.27 0.00 5.31 4.57 -0.87 -2.44 114.58 120.89 1fkr h GLU 61 Ca 0.28 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1fkr h GLU 61 Cb 0.43 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1fkr h GLU 61 CO -0.62 0.07 0.00 0.41 -1.18 0.00 0.00 179.01 177.69 1fkr n GLY 62 N 0.71 -3.15 0.28 1.92 0.00 0.50 -2.06 105.19 103.39 1fkr n GLY 62 Ca -0.07 0.32 0.13 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.14 -0.34 -0.08 1.61 0.31 0.76 0.96 118.33 120.42 1fkr n VAL 63 Ca 0.00 1.75 -0.08 0.00 -0.01 0.00 0.00 64.34 66.01 1fkr n VAL 63 Cb 0.00 -2.59 -0.01 0.00 -0.91 0.00 0.00 33.84 30.33 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 1.61 -0.12 0.00 3.52 0.00 -1.10 0.53 119.26 123.69 1fkr h ALA 64 Ca 0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1fkr h ALA 64 Cb 1.09 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1fkr h ALA 64 CO -0.74 -0.68 0.00 0.94 0.00 0.00 0.00 179.25 178.77 1fkr n GLN 65 N -5.40 0.10 -4.17 0.00 7.27 0.27 -4.56 117.38 110.89 1fkr n GLN 65 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.79 1fkr n GLN 65 Cb 0.31 -1.49 -0.08 0.00 2.41 0.00 0.00 30.24 31.39 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 -2.00 2.44 0.17 3.69 1.75 0.18 -5.08 119.30 120.46 1fkr s MET 66 Ca 0.05 -0.97 0.09 0.00 -1.25 0.00 0.00 55.69 53.61 1fkr s MET 66 Cb 0.02 -2.44 -0.04 0.00 2.84 0.00 0.00 34.83 35.21 1fkr s MET 66 CO 0.04 0.50 -0.14 -1.54 -0.65 0.00 0.00 175.02 173.23 1fkr s SER 67 N -2.55 4.02 -0.88 1.11 1.04 -1.26 -4.51 113.70 110.68 1fkr s SER 67 Ca 0.26 -0.63 -0.27 0.00 0.48 0.00 0.00 55.95 55.78 1fkr s SER 67 Cb -0.11 -0.60 -0.20 0.00 0.10 0.00 0.00 66.02 65.22 1fkr s SER 67 CO 0.18 0.12 2.57 0.52 0.98 0.00 0.00 173.24 177.61 1fkr n VAL 68 N 0.22 -0.02 0.00 5.02 0.31 -0.55 0.29 118.33 123.61 1fkr n VAL 68 Ca -0.12 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1fkr n VAL 68 Cb 0.55 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 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 6.30 1.27 3.71 2.92 0.00 -1.01 -3.92 105.19 114.46 1fkr n GLY 69 Ca 0.59 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.45 2.59 0.00 1.61 0.74 0.14 -4.13 119.66 120.17 1fkr s GLN 70 Ca 0.00 -0.91 0.03 0.00 0.05 0.00 0.00 55.36 54.54 1fkr s GLN 70 Cb 0.00 -2.52 -0.01 0.00 1.10 0.00 0.00 33.01 31.58 1fkr s GLN 70 CO 0.00 0.51 -0.11 0.50 -0.55 0.00 0.00 175.29 175.64 1fkr s ARG 71 N -2.63 0.85 0.34 1.67 3.52 -0.97 -2.02 118.95 119.71 1fkr s ARG 71 Ca 0.27 -0.45 -0.03 0.00 -0.13 0.00 0.00 55.73 55.40 1fkr s ARG 71 Cb -0.11 -0.82 0.00 0.00 -1.56 0.00 0.00 34.95 32.47 1fkr s ARG 71 CO 0.20 0.22 0.47 0.00 -0.81 0.00 0.00 175.30 175.37 1fkr s ALA 72 N -0.38 0.73 -0.30 6.12 0.00 0.02 -2.02 121.76 125.93 1fkr s ALA 72 Ca 0.03 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.52 1fkr s ALA 72 Cb -0.05 1.16 0.09 0.00 0.00 0.00 0.00 23.12 24.31 1fkr s ALA 72 CO -0.00 -0.79 0.01 0.21 0.00 0.00 0.00 175.76 175.19 1fkr s LYS 73 N -3.12 1.52 0.04 0.00 2.20 0.69 -1.10 119.74 119.97 1fkr s LYS 73 Ca 0.30 -1.51 -0.07 0.00 -0.36 0.00 0.00 55.97 54.33 1fkr s LYS 73 Cb -0.00 -2.86 -0.05 0.00 -1.51 0.00 0.00 37.83 33.41 1fkr s LYS 73 CO 0.20 -0.82 0.31 -0.51 -0.36 0.00 0.00 175.35 174.17 1fkr s LEU 74 N 1.13 4.36 -0.30 5.43 1.43 -0.36 -2.17 118.68 128.21 1fkr s LEU 74 Ca 0.04 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.77 1fkr s LEU 74 Cb -0.19 -2.79 0.07 0.00 0.03 0.00 0.00 46.19 43.30 1fkr s LEU 74 CO -0.10 0.22 -0.02 -0.89 0.23 0.00 0.00 176.35 175.79 1fkr s THR 75 N -1.35 2.59 -0.11 5.49 2.01 -0.98 -1.69 115.64 121.59 1fkr s THR 75 Ca 0.30 -1.69 -0.06 0.00 0.31 0.00 0.00 61.69 60.55 1fkr s THR 75 Cb -0.13 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1fkr s THR 75 CO 0.17 -0.20 0.11 -0.63 -0.69 0.00 0.00 174.62 173.38 1fkr s ILE 76 N 1.13 5.24 0.27 1.82 1.01 -0.36 -1.97 121.20 128.35 1fkr s ILE 76 Ca -0.03 0.10 0.10 0.00 0.00 0.00 0.00 60.65 60.82 1fkr s ILE 76 Cb -0.20 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1fkr s ILE 76 CO -0.04 0.61 -0.03 -0.55 0.00 0.00 0.00 174.94 174.94 1fkr s SER 77 N -1.01 4.38 0.21 3.58 0.15 -1.20 -2.02 113.70 117.78 1fkr s SER 77 Ca 0.15 -0.73 -0.17 0.00 0.70 0.00 0.00 55.95 55.89 1fkr s SER 77 Cb -0.12 -0.74 0.19 0.00 -1.71 0.00 0.00 66.02 63.65 1fkr s SER 77 CO 0.04 -0.01 1.59 1.55 1.20 0.00 0.00 173.24 177.60 1fkr h PRO 78 N 1.93 -0.09 -1.94 5.44 0.13 -1.82 -0.86 132.00 134.79 1fkr h PRO 78 Ca -0.43 0.01 0.56 0.00 -0.87 0.00 0.00 66.00 65.26 1fkr h PRO 78 Cb 1.25 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 1fkr h PRO 78 CO 0.61 -0.06 1.41 -0.40 -0.23 0.00 0.00 178.00 179.33 1fkr n ASP 79 N -5.46 0.00 -1.35 1.44 5.68 -1.26 -0.07 116.55 115.53 1fkr n ASP 79 Ca 0.07 0.98 0.08 0.00 -0.50 0.00 0.00 54.79 55.41 1fkr n ASP 79 Cb 0.37 -0.48 0.32 0.00 -1.14 0.00 0.00 41.12 40.19 1fkr n ASP 79 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1fkr n TYR 80 N -3.87 1.42 0.00 2.11 4.02 -0.33 -4.85 117.16 115.65 1fkr n TYR 80 Ca 0.44 -0.76 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 1fkr n TYR 80 Cb 1.99 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 40.95 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 0.20 0.00 -2.76 -0.72 0.00 0.90 -1.27 120.51 116.86 1fkr n ALA 81 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1fkr n ALA 81 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.50 3.27 0.00 0.00 4.01 -1.22 -4.96 117.16 117.76 1fkr n TYR 82 Ca 0.00 -3.12 0.00 0.00 -0.16 0.00 0.00 57.90 54.62 1fkr n TYR 82 Cb 0.00 -0.93 0.00 0.00 -0.31 0.00 0.00 39.34 38.10 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 -0.12 0.00 1.56 2.72 0.00 -1.13 -4.55 105.19 103.67 1fkr n GLY 83 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 3.00 -3.75 4.61 0.00 -1.26 -4.34 120.51 118.77 1fkr n ALA 84 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1fkr n ALA 84 Cb 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.00 3.44 0.00 0.00 2.01 -1.26 -1.16 115.64 116.67 1fkr s THR 85 Ca 0.00 -2.31 0.00 0.00 0.31 0.00 0.00 61.69 59.69 1fkr s THR 85 Cb 0.00 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1fkr s THR 85 CO 0.00 -0.75 0.00 0.61 -0.69 0.00 0.00 174.62 173.79 1fkr n GLY 86 N 4.28 -0.03 2.40 4.40 0.00 -1.26 -5.02 105.19 109.96 1fkr n GLY 86 Ca 0.00 0.00 -0.22 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 -0.89 -1.31 -1.24 1.61 -0.00 -1.26 -5.09 115.22 107.04 1fkr n HIS 87 Ca 0.00 -3.02 -0.42 0.00 -0.00 0.00 0.00 57.72 54.28 1fkr n HIS 87 Cb 0.00 0.32 -0.02 0.00 -0.00 0.00 0.00 29.99 30.28 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 2.25 0.00 0.00 1.57 -0.02 -1.22 -2.43 135.00 135.15 1fkr n PRO 88 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1fkr n PRO 88 Cb 0.52 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 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 1.81 3.13 0.48 -1.23 0.00 -1.26 -4.67 105.19 103.46 1fkr n GLY 89 Ca 0.16 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 1.05 -3.87 -0.61 5.41 -1.02 -4.84 119.36 115.48 1fkr n ILE 90 Ca 0.00 -0.10 -0.31 0.00 1.00 0.00 0.00 62.75 63.35 1fkr n ILE 90 Cb 0.00 -1.82 -0.12 0.00 -0.71 0.00 0.00 39.64 37.00 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 -2.37 3.05 0.75 1.39 -1.09 -1.02 -4.86 121.20 117.05 1fkr s ILE 91 Ca -0.22 -3.67 -0.17 0.00 -2.23 0.00 0.00 60.65 54.37 1fkr s ILE 91 Cb 0.07 -3.03 -0.09 0.00 -1.58 0.00 0.00 42.46 37.83 1fkr s ILE 91 CO 0.28 -0.91 0.00 -2.65 -1.23 0.00 0.00 174.94 170.43 1fkr n PRO 92 N 2.68 0.10 -0.84 2.79 -0.02 -1.26 -3.37 135.00 135.07 1fkr n PRO 92 Ca 0.12 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.32 1fkr n PRO 92 Cb 0.34 -1.39 0.10 0.00 -0.02 0.00 0.00 33.50 32.53 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 0.63 -0.30 -1.12 0.52 -0.04 -1.26 -3.85 135.00 129.58 1fkr n PRO 93 Ca 0.06 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1fkr n PRO 93 Cb 0.51 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -3.39 0.00 -4.23 0.54 1.44 -0.31 -4.90 115.22 104.38 1fkr n HIS 94 Ca 0.04 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.49 1fkr n HIS 94 Cb 0.55 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.87 3.12 0.05 1.59 0.00 -1.25 -4.98 121.76 119.42 1fkr s ALA 95 Ca 0.00 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.39 1fkr s ALA 95 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 23.12 22.15 1fkr s ALA 95 CO 0.00 0.47 0.50 0.99 0.00 0.00 0.00 175.76 177.72 1fkr s THR 96 N -1.73 4.87 0.12 0.00 2.01 -1.26 -4.47 115.64 115.18 1fkr s THR 96 Ca 0.27 1.02 0.06 0.00 0.31 0.00 0.00 61.69 63.34 1fkr s THR 96 Cb -0.09 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1fkr s THR 96 CO 0.18 0.54 0.01 -0.76 -0.69 0.00 0.00 174.62 173.89 1fkr s LEU 97 N -1.17 3.44 -0.27 4.42 1.43 -0.86 -4.16 118.68 121.51 1fkr s LEU 97 Ca 0.27 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1fkr s LEU 97 Cb -0.18 -2.14 0.09 0.00 0.03 0.00 0.00 46.19 43.99 1fkr s LEU 97 CO 0.17 0.14 0.09 -0.69 0.23 0.00 0.00 176.35 176.29 1fkr s VAL 98 N -1.46 0.53 0.37 -1.59 1.01 -0.93 -1.22 120.40 117.11 1fkr s VAL 98 Ca 0.26 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1fkr s VAL 98 Cb -0.11 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1fkr s VAL 98 CO 0.19 -0.57 0.55 -0.36 0.00 0.00 0.00 175.10 174.91 1fkr s PHE 99 N 1.81 3.26 -0.51 5.22 0.40 -0.68 -2.57 117.98 124.91 1fkr s PHE 99 Ca 0.07 0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.50 1fkr s PHE 99 Cb -0.17 -2.04 0.14 0.00 0.51 0.00 0.00 43.02 41.46 1fkr s PHE 99 CO -0.24 -0.06 0.29 -0.51 0.70 0.00 0.00 175.22 175.41 1fkr s ASP 100 N -4.14 3.94 0.02 1.36 1.11 -0.76 -1.22 116.67 116.98 1fkr s ASP 100 Ca 0.44 -2.99 -0.01 0.00 0.18 0.00 0.00 52.55 50.16 1fkr s ASP 100 Cb -0.10 -1.30 -0.04 0.00 1.07 0.00 0.00 42.92 42.55 1fkr s ASP 100 CO 0.34 -0.22 0.19 -0.69 1.18 0.00 0.00 175.17 175.98 1fkr s VAL 101 N -0.19 5.40 -0.29 -1.27 1.01 -0.26 -2.81 120.40 122.00 1fkr s VAL 101 Ca 0.20 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1fkr s VAL 101 Cb -0.20 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 32.69 1fkr s VAL 101 CO -0.04 0.24 0.03 -0.70 0.00 0.00 0.00 175.10 174.63 1fkr s GLU 102 N -2.21 1.18 -0.30 2.72 2.12 -0.06 -0.80 118.70 121.35 1fkr s GLU 102 Ca 0.31 -1.21 -0.29 0.00 0.36 0.00 0.00 54.97 54.14 1fkr s GLU 102 Cb -0.13 -2.49 -0.00 0.00 0.26 0.00 0.00 34.13 31.77 1fkr s GLU 102 CO 0.23 -0.83 1.38 -1.17 -0.54 0.00 0.00 175.26 174.33 1fkr s LEU 103 N 1.38 3.85 -0.09 2.70 2.96 -0.86 -2.10 118.68 126.52 1fkr s LEU 103 Ca 0.05 1.25 -0.19 0.00 -0.22 0.00 0.00 54.13 55.01 1fkr s LEU 103 Cb -0.18 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.81 1fkr s LEU 103 CO -0.14 -1.16 0.64 -0.07 -1.32 0.00 0.00 176.35 174.30 1fkr h LEU 104 N 11.23 -0.07 0.00 -0.68 3.38 -0.17 -2.67 115.31 126.32 1fkr h LEU 104 Ca -0.28 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1fkr h LEU 104 Cb 1.11 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1fkr h LEU 104 CO 1.03 0.64 0.00 0.29 0.09 0.00 0.00 178.44 180.49 1fkr n LYS 105 N -4.77 0.00 -4.36 1.13 5.02 -1.06 -4.18 118.16 109.93 1fkr n LYS 105 Ca -0.07 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.95 1fkr n LYS 105 Cb 0.28 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.18 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 2.67 0.00 -0.35 1.43 -1.26 -0.18 118.68 120.99 1fkr s LEU 106 Ca 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1fkr s LEU 106 Cb 0.00 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1fkr s LEU 106 CO 0.00 0.11 0.21 1.21 0.23 0.00 0.00 176.35 178.12