#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 2.75 0.15 1.61 0.11 -1.26 -3.70 120.40 120.06 1fkr s VAL 2 Ca 0.00 -1.55 0.11 0.00 -2.93 0.00 0.00 61.98 57.60 1fkr s VAL 2 Cb 0.00 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.55 1fkr s VAL 2 CO 0.00 0.09 -0.25 -1.10 -3.33 0.00 0.00 175.10 170.51 1fkr s GLN 3 N -2.15 1.48 -0.34 1.54 -0.21 -0.98 -4.98 119.66 114.03 1fkr s GLN 3 Ca 0.17 -1.38 0.01 0.00 0.02 0.00 0.00 55.36 54.18 1fkr s GLN 3 Cb -0.10 -1.91 0.11 0.00 1.00 0.00 0.00 33.01 32.10 1fkr s GLN 3 CO 0.10 0.44 0.12 0.08 -2.12 0.00 0.00 175.29 173.90 1fkr s VAL 4 N -1.25 1.22 -0.31 1.09 1.01 -1.26 -2.39 120.40 118.52 1fkr s VAL 4 Ca 0.16 -1.78 -0.11 0.00 0.00 0.00 0.00 61.98 60.25 1fkr s VAL 4 Cb -0.09 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1fkr s VAL 4 CO 0.08 -0.70 0.18 -0.70 0.00 0.00 0.00 175.10 173.95 1fkr s GLU 5 N 1.25 3.58 0.30 2.72 2.56 -0.83 -4.97 118.70 123.32 1fkr s GLU 5 Ca 0.11 -0.56 -0.05 0.00 0.00 0.00 0.00 54.97 54.47 1fkr s GLU 5 Cb -0.19 -3.64 -0.05 0.00 2.00 0.00 0.00 34.13 32.25 1fkr s GLU 5 CO -0.17 -0.34 0.58 0.99 -0.56 0.00 0.00 175.26 175.75 1fkr s THR 6 N 1.69 5.00 0.02 -1.70 2.01 -1.26 -0.29 115.64 121.11 1fkr s THR 6 Ca 0.06 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1fkr s THR 6 Cb -0.17 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1fkr s THR 6 CO 0.09 -0.35 0.00 -0.38 -0.69 0.00 0.00 174.62 173.28 1fkr n ILE 7 N -1.00 0.11 -3.87 1.82 5.41 -1.02 -4.91 119.36 115.90 1fkr n ILE 7 Ca -0.01 0.04 -0.28 0.00 1.00 0.00 0.00 62.75 63.49 1fkr n ILE 7 Cb 0.54 -1.33 -0.12 0.00 -0.71 0.00 0.00 39.64 38.02 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 -5.09 4.55 0.87 4.38 0.01 -1.08 -5.03 113.70 112.30 1fkr s SER 8 Ca 0.00 -3.71 -0.19 0.00 1.31 0.00 0.00 55.95 53.36 1fkr s SER 8 Cb 0.00 -1.55 -0.15 0.00 0.21 0.00 0.00 66.02 64.53 1fkr s SER 8 CO 0.00 -0.11 -1.01 -2.65 0.41 0.00 0.00 173.24 169.88 1fkr n PRO 9 N 2.15 0.00 -2.54 12.44 -0.02 -1.26 -2.38 135.00 143.38 1fkr n PRO 9 Ca 0.19 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.60 1fkr n PRO 9 Cb 0.35 -0.87 -0.01 0.00 -0.02 0.00 0.00 33.50 32.95 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 4.06 0.37 -1.23 0.00 -1.25 -4.41 105.19 105.75 1fkr n GLY 10 Ca -0.02 -2.21 0.02 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.16 -0.51 0.00 1.61 5.68 -1.25 -4.79 116.55 116.14 1fkr n ASP 11 Ca -0.04 1.69 0.00 0.00 -0.50 0.00 0.00 54.79 55.94 1fkr n ASP 11 Cb 0.13 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1fkr n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fkr n GLY 12 N -1.53 0.77 0.00 6.12 0.00 -1.26 -4.92 105.19 104.37 1fkr n GLY 12 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.95 1.57 -4.41 1.61 1.74 -1.26 -5.06 116.66 108.90 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 -0.96 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.93 4.17 0.34 0.55 2.01 -1.26 -5.07 115.64 114.46 1fkr s THR 14 Ca 0.00 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1fkr s THR 14 Cb 0.00 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1fkr s THR 14 CO 0.00 0.59 0.14 -0.36 -0.69 0.00 0.00 174.62 174.30 1fkr s PHE 15 N -0.68 1.71 0.47 4.92 0.40 -1.26 -1.37 117.98 122.18 1fkr s PHE 15 Ca 0.11 -1.31 -0.23 0.00 -0.60 0.00 0.00 56.93 54.90 1fkr s PHE 15 Cb -0.12 -1.00 -0.07 0.00 0.51 0.00 0.00 43.02 42.34 1fkr s PHE 15 CO 0.02 -0.40 1.25 -2.14 0.70 0.00 0.00 175.22 174.65 1fkr s PRO 16 N -3.77 3.62 0.41 0.24 0.02 -1.26 -4.86 135.00 129.39 1fkr s PRO 16 Ca 0.32 1.99 0.07 0.00 0.02 0.00 0.00 61.00 63.39 1fkr s PRO 16 Cb 0.04 -2.43 -0.08 0.00 0.02 0.00 0.00 34.50 32.06 1fkr s PRO 16 CO 0.17 -0.73 0.04 0.15 -0.33 0.00 0.00 177.00 176.30 1fkr s LYS 17 N -2.66 2.00 -0.65 5.54 1.02 -1.26 -5.03 119.74 118.70 1fkr s LYS 17 Ca 0.65 -2.06 -0.28 0.00 0.02 0.00 0.00 55.97 54.30 1fkr s LYS 17 Cb -0.34 -1.70 0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1fkr s LYS 17 CO 0.41 -0.06 1.28 0.50 -0.92 0.00 0.00 175.35 176.57 1fkr s ARG 18 N -3.74 3.32 0.00 1.68 3.52 -1.26 -2.55 118.95 119.92 1fkr s ARG 18 Ca 0.36 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 1fkr s ARG 18 Cb 0.09 -4.11 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 1fkr s ARG 18 CO 0.19 -1.95 0.00 0.41 -0.81 0.00 0.00 175.30 173.14 1fkr n GLY 19 N 5.24 1.08 3.80 8.12 0.00 -1.26 -5.12 105.19 117.06 1fkr n GLY 19 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 2.21 0.31 1.61 -0.21 -1.06 -5.10 119.66 117.43 1fkr s GLN 20 Ca 0.00 -2.12 0.09 0.00 0.02 0.00 0.00 55.36 53.35 1fkr s GLN 20 Cb 0.00 -1.84 -0.04 0.00 1.00 0.00 0.00 33.01 32.12 1fkr s GLN 20 CO 0.00 -0.38 0.07 0.99 -2.12 0.00 0.00 175.29 173.85 1fkr s THR 21 N -2.77 3.14 0.00 -0.19 2.01 -0.22 -4.11 115.64 113.51 1fkr s THR 21 Ca 0.25 -1.80 0.05 0.00 0.31 0.00 0.00 61.69 60.50 1fkr s THR 21 Cb 0.01 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 1fkr s THR 21 CO 0.15 -0.25 -0.14 0.00 -0.69 0.00 0.00 174.62 173.68 1fkr s VAL 23 N -0.88 2.59 0.14 0.00 1.01 0.18 -2.17 120.40 121.27 1fkr s VAL 23 Ca 0.14 -2.07 0.10 0.00 0.00 0.00 0.00 61.98 60.15 1fkr s VAL 23 Cb -0.11 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1fkr s VAL 23 CO 0.04 -0.49 -0.23 0.68 0.00 0.00 0.00 175.10 175.11 1fkr s VAL 24 N 1.03 2.04 -0.07 2.92 -7.23 -0.40 0.25 120.40 118.93 1fkr s VAL 24 Ca 0.06 -1.79 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 1fkr s VAL 24 Cb -0.20 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 34.89 1fkr s VAL 24 CO -0.06 -0.08 -0.10 -2.28 -0.31 0.00 0.00 175.10 172.27 1fkr s HIS 25 N -1.42 1.37 0.29 2.82 2.46 -1.03 -0.87 115.29 118.90 1fkr s HIS 25 Ca 0.14 -0.53 0.05 0.00 0.47 0.00 0.00 55.06 55.18 1fkr s HIS 25 Cb -0.09 -1.04 -0.03 0.00 -0.13 0.00 0.00 32.58 31.29 1fkr s HIS 25 CO 0.06 -0.31 0.23 1.52 -2.47 0.00 0.00 174.74 173.77 1fkr s TYR 26 N 0.89 1.57 -0.08 3.88 -0.85 -1.26 -1.46 117.35 120.03 1fkr s TYR 26 Ca -0.11 -1.57 -0.01 0.00 -0.52 0.00 0.00 57.07 54.87 1fkr s TYR 26 Cb -0.15 -0.68 0.03 0.00 0.38 0.00 0.00 41.96 41.54 1fkr s TYR 26 CO 0.01 -0.78 -0.04 0.99 -1.52 0.00 0.00 175.55 174.21 1fkr s THR 27 N -3.67 0.67 -0.23 -3.49 2.01 -1.12 -2.15 115.64 107.66 1fkr s THR 27 Ca 0.40 -0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 1fkr s THR 27 Cb 0.04 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 1fkr s THR 27 CO 0.22 0.30 0.08 -0.83 -0.69 0.00 0.00 174.62 173.70 1fkr s GLY 28 N 1.69 1.82 0.31 4.40 0.00 0.23 -2.01 107.32 113.77 1fkr s GLY 28 Ca 0.02 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.76 1fkr s GLY 28 CO -0.05 0.39 0.32 -0.29 0.00 0.00 0.00 173.10 173.46 1fkr s MET 29 N 1.24 1.68 0.41 2.90 1.75 -1.07 -2.72 119.30 123.50 1fkr s MET 29 Ca 0.05 -1.83 0.07 0.00 -1.25 0.00 0.00 55.69 52.73 1fkr s MET 29 Cb -0.14 0.36 -0.06 0.00 2.84 0.00 0.00 34.83 37.82 1fkr s MET 29 CO 0.04 -0.64 0.13 -0.51 -0.65 0.00 0.00 175.02 173.39 1fkr s LEU 30 N -3.28 3.03 0.05 4.11 1.43 -1.08 -0.54 118.68 122.41 1fkr s LEU 30 Ca 0.37 -1.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.18 1fkr s LEU 30 Cb 0.02 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 1fkr s LEU 30 CO 0.22 -0.53 0.56 -0.62 0.23 0.00 0.00 176.35 176.21 1fkr n GLU 31 N -1.16 -0.15 -2.66 1.70 1.02 -1.26 -3.68 120.64 114.44 1fkr n GLU 31 Ca -0.02 0.55 -0.04 0.00 -0.02 0.00 0.00 57.16 57.63 1fkr n GLU 31 Cb 0.65 -0.81 0.12 0.00 -0.02 0.00 0.00 31.44 31.39 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 -4.25 -1.61 0.00 1.62 5.75 -1.26 -5.05 116.55 111.75 1fkr n ASP 32 Ca 0.01 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.50 1fkr n ASP 32 Cb 0.09 0.81 0.00 0.00 -1.03 0.00 0.00 41.12 40.98 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 -1.17 0.14 2.72 6.12 0.00 -1.24 -5.16 105.19 106.59 1fkr n GLY 33 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.30 0.78 -3.33 1.61 2.85 -1.26 -4.98 118.16 112.53 1fkr n LYS 34 Ca 0.00 -1.54 -0.38 0.00 -1.05 0.00 0.00 58.31 55.33 1fkr n LYS 34 Cb 0.00 1.94 -0.06 0.00 -0.65 0.00 0.00 35.03 36.26 1fkr n LYS 34 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1fkr s LYS 35 N -2.06 4.20 -0.02 -1.58 -2.85 -1.26 -2.62 119.74 113.56 1fkr s LYS 35 Ca 0.12 0.56 0.01 0.00 -1.00 0.00 0.00 55.97 55.66 1fkr s LYS 35 Cb -0.03 -3.32 -0.01 0.00 -2.06 0.00 0.00 37.83 32.40 1fkr s LYS 35 CO 0.08 0.43 -0.00 1.97 0.10 0.00 0.00 175.35 177.93 1fkr n PHE 36 N 2.62 0.00 -3.47 1.78 1.16 -1.10 -4.93 117.46 113.52 1fkr n PHE 36 Ca -0.09 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.20 1fkr n PHE 36 Cb 0.51 -0.07 -0.12 0.00 -1.61 0.00 0.00 39.48 38.20 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 -3.64 2.99 -0.14 5.98 1.01 -1.23 -5.03 116.67 116.61 1fkr s ASP 37 Ca -0.01 -2.20 -0.02 0.00 0.71 0.00 0.00 52.55 51.03 1fkr s ASP 37 Cb 0.00 -0.41 -0.02 0.00 1.01 0.00 0.00 42.92 43.50 1fkr s ASP 37 CO 0.05 -0.31 -0.09 -0.44 0.21 0.00 0.00 175.17 174.60 1fkr s SER 38 N 1.05 4.38 -0.32 0.27 0.01 -1.26 0.78 113.70 118.60 1fkr s SER 38 Ca 0.18 -0.24 0.07 0.00 1.31 0.00 0.00 55.95 57.27 1fkr s SER 38 Cb -0.23 -1.69 0.46 0.00 0.21 0.00 0.00 66.02 64.77 1fkr s SER 38 CO 0.01 0.16 1.34 -1.54 0.41 0.00 0.00 173.24 173.62 1fkr n SER 39 N 3.57 4.45 -0.16 2.44 3.41 -0.91 -4.89 113.62 121.53 1fkr n SER 39 Ca -0.18 -3.79 -0.04 0.00 -0.26 0.00 0.00 58.87 54.60 1fkr n SER 39 Cb 0.53 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.85 -0.17 0.00 4.33 3.00 -1.25 -4.52 116.66 117.19 1fkr n ARG 40 Ca 0.41 0.83 0.00 0.00 -0.00 0.00 0.00 57.85 59.09 1fkr n ARG 40 Cb 0.90 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 32.13 1fkr n ARG 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1fkr n ASP 41 N -3.94 0.00 -1.52 6.15 2.03 -1.26 -4.70 116.55 113.32 1fkr n ASP 41 Ca 0.01 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.28 1fkr n ASP 41 Cb 0.10 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.51 1fkr n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1fkr n ARG 42 N 0.00 1.21 -2.24 -0.67 1.74 -1.26 -4.18 116.66 111.26 1fkr n ARG 42 Ca 0.00 -0.42 -0.33 0.00 -0.77 0.00 0.00 57.85 56.33 1fkr n ARG 42 Cb 0.00 -1.16 0.02 0.00 -1.02 0.00 0.00 32.46 30.29 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 1.01 6.00 -0.12 0.55 5.15 -1.26 -4.76 115.26 121.82 1fkr n ASN 43 Ca 0.08 -3.77 0.00 0.00 -0.60 0.00 0.00 54.58 50.29 1fkr n ASN 43 Cb 0.55 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 39.05 1fkr n ASN 43 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1fkr n LYS 44 N -0.50 0.00 0.00 1.20 5.02 -1.26 -5.12 118.16 117.51 1fkr n LYS 44 Ca 0.46 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1fkr n LYS 44 Cb 0.46 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1fkr n LYS 44 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1fkr n PRO 45 N -0.07 2.63 -3.05 1.97 -0.02 -1.26 -4.91 135.00 130.29 1fkr n PRO 45 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 1fkr n PRO 45 Cb 0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.45 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 3.77 -0.10 6.00 5.36 -0.05 -4.92 117.98 128.03 1fkr s PHE 46 Ca 0.00 1.50 -0.01 0.00 -0.96 0.00 0.00 56.93 57.47 1fkr s PHE 46 Cb 0.00 -2.69 0.03 0.00 -0.34 0.00 0.00 43.02 40.02 1fkr s PHE 46 CO 0.00 0.42 -0.05 0.15 -1.46 0.00 0.00 175.22 174.28 1fkr s LYS 47 N -1.57 1.23 0.23 10.12 1.02 -1.26 -1.28 119.74 128.22 1fkr s LYS 47 Ca 0.39 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.25 1fkr s LYS 47 Cb -0.20 -1.40 -0.04 0.00 -0.52 0.00 0.00 37.83 35.68 1fkr s LYS 47 CO 0.23 -0.28 0.14 -0.59 -0.92 0.00 0.00 175.35 173.93 1fkr s PHE 48 N 1.79 1.29 0.19 3.18 -0.71 -0.92 -4.93 117.98 117.87 1fkr s PHE 48 Ca 0.05 -1.37 0.10 0.00 -1.04 0.00 0.00 56.93 54.67 1fkr s PHE 48 Cb -0.12 -0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 41.00 1fkr s PHE 48 CO -0.07 -0.60 -0.13 1.41 -1.34 0.00 0.00 175.22 174.49 1fkr s MET 49 N -4.07 1.94 -0.25 1.99 1.75 -1.26 -0.01 119.30 119.39 1fkr s MET 49 Ca 0.39 -1.34 -0.19 0.00 -1.25 0.00 0.00 55.69 53.30 1fkr s MET 49 Cb 0.07 -2.08 -0.02 0.00 2.84 0.00 0.00 34.83 35.63 1fkr s MET 49 CO 0.14 0.42 0.57 -1.17 -0.65 0.00 0.00 175.02 174.33 1fkr s LEU 50 N -2.83 4.07 0.00 4.11 2.96 -1.26 -3.95 118.68 121.79 1fkr s LEU 50 Ca 0.24 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1fkr s LEU 50 Cb -0.08 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.84 1fkr s LEU 50 CO 0.14 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 1fkr n GLY 51 N 4.20 0.92 0.29 7.98 0.00 -1.26 -4.55 105.19 112.76 1fkr n GLY 51 Ca -0.02 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.16 1.25 -2.79 1.61 4.81 -1.25 -5.02 118.16 114.61 1fkr n LYS 52 Ca 0.00 -2.67 -0.05 0.00 -0.87 0.00 0.00 58.31 54.73 1fkr n LYS 52 Cb 0.00 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 33.62 1fkr n LYS 52 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1fkr n GLN 53 N -1.20 -0.31 -0.08 1.64 6.02 -1.26 -4.82 117.38 117.37 1fkr n GLN 53 Ca 0.16 0.10 -0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1fkr n GLN 53 Cb 0.67 -0.34 -0.09 0.00 1.02 0.00 0.00 30.24 31.50 1fkr n GLN 53 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1fkr n GLU 54 N -0.92 0.98 -4.33 -1.09 -0.58 -1.26 -5.00 120.64 108.43 1fkr n GLU 54 Ca -0.06 0.06 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1fkr n GLU 54 Cb 0.12 -1.36 -0.11 0.00 -0.57 0.00 0.00 31.44 29.53 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 -2.35 2.84 0.99 2.62 -7.23 -1.26 -5.12 120.40 110.88 1fkr s VAL 55 Ca -0.17 -1.69 -0.14 0.00 -1.81 0.00 0.00 61.98 58.17 1fkr s VAL 55 Cb 0.05 -2.35 0.14 0.00 0.56 0.00 0.00 36.38 34.78 1fkr s VAL 55 CO 0.48 -0.03 0.19 2.30 -0.31 0.00 0.00 175.10 177.73 1fkr n ILE 56 N 0.41 0.00 0.18 -0.62 -5.35 -1.26 -4.64 119.36 108.08 1fkr n ILE 56 Ca -0.13 -0.06 -0.08 0.00 -0.27 0.00 0.00 62.75 62.21 1fkr n ILE 56 Cb 0.54 -0.45 -0.04 0.00 -1.74 0.00 0.00 39.64 37.96 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 -2.52 -0.51 -0.22 6.28 2.43 -1.89 -2.94 114.38 115.01 1fkr h ARG 57 Ca -0.26 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1fkr h ARG 57 Cb 0.80 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1fkr h ARG 57 CO 0.17 -0.34 0.12 0.41 -1.51 0.00 0.00 179.97 178.82 1fkr n GLY 58 N 0.33 -0.16 0.00 2.80 0.00 -0.56 0.55 105.19 108.16 1fkr n GLY 58 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.37 0.00 -0.22 1.61 7.02 -1.23 -1.53 117.44 119.72 1fkr n TRP 59 Ca 0.08 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.50 1fkr n TRP 59 Cb 0.27 -0.42 -0.05 0.00 -2.42 0.00 0.00 31.31 28.69 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 -2.07 -0.23 0.08 -0.99 0.00 0.19 0.27 120.64 117.89 1fkr n GLU 60 Ca 0.00 0.79 -0.13 0.00 0.00 0.00 0.00 57.16 57.82 1fkr n GLU 60 Cb 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 31.44 30.20 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 -0.22 0.00 5.31 4.57 -1.22 -2.54 114.58 120.48 1fkr h GLU 61 Ca 0.09 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1fkr h GLU 61 Cb 0.22 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1fkr h GLU 61 CO -0.49 0.14 0.00 0.41 -1.18 0.00 0.00 179.01 177.89 1fkr n GLY 62 N -0.13 -1.42 0.21 1.92 0.00 0.66 -2.21 105.19 104.23 1fkr n GLY 62 Ca -0.09 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.07 -0.25 -0.12 1.61 0.31 0.75 0.33 118.33 120.90 1fkr n VAL 63 Ca 0.00 1.32 -0.14 0.00 -0.01 0.00 0.00 64.34 65.51 1fkr n VAL 63 Cb 0.00 -1.88 -0.10 0.00 -0.91 0.00 0.00 33.84 30.96 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 1.18 -0.78 0.00 3.52 0.00 -1.37 0.50 119.26 122.31 1fkr h ALA 64 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1fkr h ALA 64 Cb 0.57 1.10 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1fkr h ALA 64 CO -0.58 -1.05 0.35 0.94 0.00 0.00 0.00 179.25 178.90 1fkr n GLN 65 N -5.39 0.02 -3.74 0.00 7.27 0.15 -4.44 117.38 111.26 1fkr n GLN 65 Ca -0.04 0.32 -0.26 0.00 0.07 0.00 0.00 57.00 57.10 1fkr n GLN 65 Cb 0.35 -1.92 -0.03 0.00 2.41 0.00 0.00 30.24 31.05 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 -2.70 3.49 0.09 3.69 -1.94 0.18 -5.10 119.30 117.01 1fkr s MET 66 Ca -0.00 -0.45 0.10 0.00 -1.71 0.00 0.00 55.69 53.63 1fkr s MET 66 Cb 0.01 -2.85 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 1fkr s MET 66 CO 0.03 0.39 -0.27 -1.54 -0.01 0.00 0.00 175.02 173.63 1fkr s SER 67 N -3.41 3.24 -0.84 3.03 1.04 -1.26 -4.49 113.70 111.01 1fkr s SER 67 Ca 0.37 -0.68 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 1fkr s SER 67 Cb -0.11 -0.25 -0.22 0.00 0.10 0.00 0.00 66.02 65.55 1fkr s SER 67 CO 0.30 0.21 2.09 0.52 0.98 0.00 0.00 173.24 177.34 1fkr n VAL 68 N 1.27 0.00 0.00 5.02 0.31 -0.47 0.18 118.33 124.63 1fkr n VAL 68 Ca -0.18 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1fkr n VAL 68 Cb 0.53 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 5.14 1.31 3.58 2.92 0.00 -0.98 -3.77 105.19 113.39 1fkr n GLY 69 Ca 0.56 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.34 2.95 -0.02 1.61 0.74 0.47 -3.86 119.66 121.21 1fkr s GLN 70 Ca 0.00 -0.52 0.05 0.00 0.05 0.00 0.00 55.36 54.94 1fkr s GLN 70 Cb 0.00 -2.68 -0.01 0.00 1.10 0.00 0.00 33.01 31.42 1fkr s GLN 70 CO 0.00 0.59 -0.17 0.50 -0.55 0.00 0.00 175.29 175.67 1fkr s ARG 71 N -0.61 1.45 0.33 1.67 3.00 -1.00 -1.98 118.95 121.81 1fkr s ARG 71 Ca 0.09 -0.60 0.01 0.00 -1.00 0.00 0.00 55.73 54.23 1fkr s ARG 71 Cb -0.12 -1.37 -0.01 0.00 0.00 0.00 0.00 34.95 33.45 1fkr s ARG 71 CO 0.02 0.34 0.37 0.00 0.00 0.00 0.00 175.30 176.03 1fkr s ALA 72 N -0.30 1.20 -0.29 6.12 0.00 -0.22 -2.42 121.76 125.85 1fkr s ALA 72 Ca 0.04 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.28 1fkr s ALA 72 Cb -0.08 1.30 0.08 0.00 0.00 0.00 0.00 23.12 24.42 1fkr s ALA 72 CO -0.00 -0.73 0.01 0.21 0.00 0.00 0.00 175.76 175.25 1fkr s LYS 73 N -3.30 1.42 -0.01 0.00 2.20 0.61 -1.20 119.74 119.46 1fkr s LYS 73 Ca 0.35 -1.36 -0.03 0.00 -0.36 0.00 0.00 55.97 54.58 1fkr s LYS 73 Cb 0.01 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1fkr s LYS 73 CO 0.22 -0.80 0.17 -0.51 -0.36 0.00 0.00 175.35 174.07 1fkr s LEU 74 N 1.24 4.33 -0.30 5.43 1.02 -0.36 -1.97 118.68 128.08 1fkr s LEU 74 Ca 0.03 0.33 0.03 0.00 0.02 0.00 0.00 54.13 54.54 1fkr s LEU 74 Cb -0.19 -2.58 0.08 0.00 0.02 0.00 0.00 46.19 43.53 1fkr s LEU 74 CO -0.11 0.27 -0.01 -0.89 0.02 0.00 0.00 176.35 175.63 1fkr s THR 75 N -1.31 2.03 -0.01 5.49 2.01 -1.00 -1.68 115.64 121.17 1fkr s THR 75 Ca 0.27 -1.90 -0.11 0.00 0.31 0.00 0.00 61.69 60.26 1fkr s THR 75 Cb -0.13 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 1fkr s THR 75 CO 0.18 -0.36 0.33 -0.63 -0.69 0.00 0.00 174.62 173.45 1fkr s ILE 76 N 1.09 5.18 0.16 1.82 1.09 -0.84 -2.32 121.20 127.38 1fkr s ILE 76 Ca 0.02 0.54 0.08 0.00 -1.10 0.00 0.00 60.65 60.19 1fkr s ILE 76 Cb -0.19 -3.62 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 1fkr s ILE 76 CO -0.08 0.50 -0.07 -0.94 -0.10 0.00 0.00 174.94 174.25 1fkr s SER 77 N -1.30 4.45 0.30 3.58 1.04 -1.24 -1.89 113.70 118.64 1fkr s SER 77 Ca 0.24 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1fkr s SER 77 Cb -0.15 -0.84 0.71 0.00 0.10 0.00 0.00 66.02 65.84 1fkr s SER 77 CO 0.13 0.11 1.57 1.55 0.98 0.00 0.00 173.24 177.58 1fkr h PRO 78 N 2.98 0.00 -1.29 4.02 0.13 -1.75 0.24 132.00 136.34 1fkr h PRO 78 Ca -0.47 -0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.06 1fkr h PRO 78 Cb 1.20 -0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1fkr h PRO 78 CO 0.55 0.00 0.84 0.38 -0.23 0.00 0.00 178.00 179.55 1fkr h ASP 79 N 0.00 0.26 -0.60 1.44 2.03 -1.94 0.36 116.42 117.97 1fkr h ASP 79 Ca 0.58 0.11 -0.17 0.00 -0.73 0.00 0.00 57.03 56.82 1fkr h ASP 79 Cb 1.15 0.09 -0.10 0.00 -0.83 0.00 0.00 39.33 39.64 1fkr h ASP 79 CO -0.94 -0.10 0.17 -1.22 -1.03 0.00 0.00 179.24 176.12 1fkr n TYR 80 N -4.60 2.02 0.00 4.15 4.02 0.85 -4.93 117.16 118.67 1fkr n TYR 80 Ca 0.34 -1.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.06 1fkr n TYR 80 Cb 1.33 -0.59 0.00 0.00 -0.02 0.00 0.00 39.34 40.06 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 -0.30 0.00 -3.38 -0.72 0.00 0.13 -1.49 120.51 114.75 1fkr n ALA 81 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.41 1fkr n ALA 81 Cb 1.26 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.60 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 3.37 -0.01 0.00 2.02 -1.16 -4.94 117.35 116.63 1fkr s TYR 82 Ca 0.00 -1.67 -0.04 0.00 -0.37 0.00 0.00 57.07 54.99 1fkr s TYR 82 Cb 0.00 -2.96 -0.01 0.00 -0.40 0.00 0.00 41.96 38.59 1fkr s TYR 82 CO 0.00 -0.87 -0.08 0.41 -1.57 0.00 0.00 175.55 173.45 1fkr n GLY 83 N 4.86 -0.20 2.42 0.71 0.00 -1.25 -4.29 105.19 107.43 1fkr n GLY 83 Ca -0.09 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.23 4.52 0.03 4.61 0.00 -1.26 -4.12 120.51 121.06 1fkr n ALA 84 Ca -0.03 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1fkr n ALA 84 Cb 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1fkr n ALA 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1fkr n THR 85 N -0.48 0.23 -0.12 0.00 -1.04 -1.26 -5.15 114.28 106.46 1fkr n THR 85 Ca 0.32 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 1fkr n THR 85 Cb 0.78 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1fkr n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fkr n GLY 86 N 2.75 0.00 3.27 3.41 0.00 -1.26 -4.98 105.19 108.37 1fkr n GLY 86 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.28 1.43 -1.46 1.61 3.76 0.08 -5.01 115.29 114.42 1fkr s HIS 87 Ca 0.00 -0.63 -0.11 0.00 -0.15 0.00 0.00 55.06 54.17 1fkr s HIS 87 Cb 0.00 -0.72 0.04 0.00 1.11 0.00 0.00 32.58 33.01 1fkr s HIS 87 CO 0.00 0.18 2.37 -0.35 -0.85 0.00 0.00 174.74 176.09 1fkr n PRO 88 N 0.05 3.34 0.00 8.40 -0.04 -1.26 -3.94 135.00 141.55 1fkr n PRO 88 Ca -0.12 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.62 1fkr n PRO 88 Cb 0.59 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 3.55 1.86 1.98 0.55 0.00 -1.26 -4.99 105.19 106.88 1fkr n GLY 89 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.02 -3.80 -0.61 5.41 -1.26 -4.99 119.36 114.13 1fkr n ILE 90 Ca 0.00 0.01 -0.30 0.00 1.00 0.00 0.00 62.75 63.46 1fkr n ILE 90 Cb 0.00 -0.52 -0.14 0.00 -0.71 0.00 0.00 39.64 38.27 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 -2.00 1.75 0.81 1.39 1.01 -1.26 -4.76 121.20 118.14 1fkr s ILE 91 Ca 0.00 -2.65 -0.13 0.00 0.00 0.00 0.00 60.65 57.87 1fkr s ILE 91 Cb 0.00 -2.23 0.09 0.00 0.01 0.00 0.00 42.46 40.33 1fkr s ILE 91 CO 0.00 -0.83 1.18 -2.84 0.00 0.00 0.00 174.94 172.45 1fkr s PRO 92 N 0.32 1.67 1.16 2.79 0.02 -1.25 -0.75 135.00 138.96 1fkr s PRO 92 Ca 0.16 1.64 -0.17 0.00 0.02 0.00 0.00 61.00 62.65 1fkr s PRO 92 Cb -0.24 -1.79 0.21 0.00 0.02 0.00 0.00 34.50 32.70 1fkr s PRO 92 CO -0.02 -2.17 0.40 -0.35 -0.33 0.00 0.00 177.00 174.53 1fkr n PRO 93 N -3.41 -2.67 -1.54 5.54 -0.04 -1.26 -4.03 135.00 127.59 1fkr n PRO 93 Ca 0.13 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1fkr n PRO 93 Cb 0.51 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1fkr n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fkr n HIS 94 N -4.78 0.00 -4.42 0.54 8.25 -1.26 -4.88 115.22 108.67 1fkr n HIS 94 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.26 1fkr n HIS 94 Cb 0.50 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.79 2.52 0.09 -1.41 0.00 -1.26 -4.96 121.76 114.95 1fkr s ALA 95 Ca 0.00 -1.67 -0.15 0.00 0.00 0.00 0.00 51.96 50.14 1fkr s ALA 95 Cb 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 1fkr s ALA 95 CO 0.00 0.38 0.51 0.99 0.00 0.00 0.00 175.76 177.63 1fkr s THR 96 N -1.88 4.89 0.23 0.00 2.01 -1.26 -4.27 115.64 115.36 1fkr s THR 96 Ca 0.22 0.88 0.09 0.00 0.31 0.00 0.00 61.69 63.19 1fkr s THR 96 Cb -0.07 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1fkr s THR 96 CO 0.10 0.40 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.64 1fkr s LEU 97 N -1.56 3.13 -0.32 4.42 1.43 -0.79 -4.31 118.68 120.68 1fkr s LEU 97 Ca 0.32 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1fkr s LEU 97 Cb -0.16 -1.71 0.11 0.00 0.03 0.00 0.00 46.19 44.45 1fkr s LEU 97 CO 0.18 0.04 0.13 -0.69 0.23 0.00 0.00 176.35 176.24 1fkr s VAL 98 N -2.10 0.52 0.28 -1.59 1.01 0.30 -1.99 120.40 116.83 1fkr s VAL 98 Ca 0.29 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1fkr s VAL 98 Cb -0.07 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1fkr s VAL 98 CO 0.18 -0.74 0.52 -0.36 0.00 0.00 0.00 175.10 174.71 1fkr s PHE 99 N 1.65 3.48 -0.50 5.22 0.40 -0.68 -2.58 117.98 124.97 1fkr s PHE 99 Ca 0.11 0.55 0.03 0.00 -0.60 0.00 0.00 56.93 57.02 1fkr s PHE 99 Cb -0.18 -2.03 0.13 0.00 0.51 0.00 0.00 43.02 41.45 1fkr s PHE 99 CO -0.25 0.20 0.25 -0.51 0.70 0.00 0.00 175.22 175.61 1fkr s ASP 100 N -3.29 4.13 0.03 1.36 1.11 -0.85 -1.22 116.67 117.94 1fkr s ASP 100 Ca 0.42 -2.91 -0.01 0.00 0.18 0.00 0.00 52.55 50.24 1fkr s ASP 100 Cb -0.11 -1.47 -0.04 0.00 1.07 0.00 0.00 42.92 42.37 1fkr s ASP 100 CO 0.31 -0.24 0.18 -0.69 1.18 0.00 0.00 175.17 175.91 1fkr s VAL 101 N -0.12 5.30 -0.25 -1.27 1.01 -0.34 -2.80 120.40 121.93 1fkr s VAL 101 Ca 0.17 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1fkr s VAL 101 Cb -0.26 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1fkr s VAL 101 CO 0.00 0.22 -0.05 -0.70 0.00 0.00 0.00 175.10 174.57 1fkr s GLU 102 N -2.25 1.65 -0.31 2.72 2.12 -0.54 -1.06 118.70 121.05 1fkr s GLU 102 Ca 0.31 -1.08 -0.29 0.00 0.36 0.00 0.00 54.97 54.27 1fkr s GLU 102 Cb -0.13 -2.64 0.02 0.00 0.26 0.00 0.00 34.13 31.64 1fkr s GLU 102 CO 0.23 -0.63 1.09 -1.17 -0.54 0.00 0.00 175.26 174.24 1fkr s LEU 103 N 1.34 3.95 -0.17 2.70 2.96 -0.84 -2.47 118.68 126.16 1fkr s LEU 103 Ca -0.05 1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 54.81 1fkr s LEU 103 Cb -0.19 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.84 1fkr s LEU 103 CO -0.07 -0.87 0.10 -0.07 -1.32 0.00 0.00 176.35 174.13 1fkr h LEU 104 N 10.07 0.00 -7.95 -0.68 3.38 -0.53 -2.60 115.31 117.00 1fkr h LEU 104 Ca -0.21 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.53 1fkr h LEU 104 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1fkr h LEU 104 CO 1.03 1.09 0.44 -0.75 0.09 0.00 0.00 178.44 180.33 1fkr s LYS 105 N -2.23 1.69 0.18 1.13 2.47 -1.04 -4.53 119.74 117.41 1fkr s LYS 105 Ca -0.20 -1.07 0.10 0.00 -1.56 0.00 0.00 55.97 53.24 1fkr s LYS 105 Cb 0.03 0.48 -0.04 0.00 -1.46 0.00 0.00 37.83 36.84 1fkr s LYS 105 CO 0.41 -0.79 -0.20 -0.51 0.16 0.00 0.00 175.35 174.43 1fkr s LEU 106 N -3.22 2.60 0.00 5.43 1.43 -1.26 0.49 118.68 124.15 1fkr s LEU 106 Ca 0.18 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1fkr s LEU 106 Cb -0.04 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1fkr s LEU 106 CO 0.08 0.13 0.14 1.21 0.23 0.00 0.00 176.35 178.13