#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfn s GLN 2 N 0.00 3.55 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.89 3kfn s GLN 2 Ca 0.00 -0.57 -0.02 0.00 0.05 0.00 0.00 55.36 54.82 3kfn s GLN 2 Cb 0.00 -2.93 0.02 0.00 1.10 0.00 0.00 33.01 31.19 3kfn s GLN 2 CO 0.00 0.08 -0.06 0.42 -0.55 0.00 0.00 175.29 175.19 3kfn s ILE 3 N 0.76 3.01 0.62 -2.34 1.01 -1.26 -5.10 121.20 117.90 3kfn s ILE 3 Ca -0.02 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 3kfn s ILE 3 Cb -0.15 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.87 3kfn s ILE 3 CO 0.02 0.27 0.95 0.42 0.00 0.00 0.00 174.94 176.60 3kfn s THR 4 N 1.37 3.53 -0.22 2.92 -4.23 -1.26 -5.01 115.64 112.74 3kfn s THR 4 Ca 0.02 0.09 0.15 0.00 -1.18 0.00 0.00 61.69 60.77 3kfn s THR 4 Cb -0.16 -3.43 0.33 0.00 1.34 0.00 0.00 72.50 70.58 3kfn s THR 4 CO -0.04 -0.47 1.23 0.18 -0.54 0.00 0.00 174.62 174.98 3kfn n LEU 5 N -2.70 2.89 0.23 4.79 4.77 -1.26 -4.53 117.00 121.19 3kfn n LEU 5 Ca 0.05 -2.79 0.07 0.00 -0.03 0.00 0.00 56.01 53.31 3kfn n LEU 5 Cb 0.58 -0.38 0.54 0.00 -2.33 0.00 0.00 43.42 41.82 3kfn n LEU 5 CO 0.54 0.67 0.91 -0.50 -1.33 0.00 0.00 177.39 177.68 3kfn h TRP 6 N 0.84 0.00 -2.81 -1.77 6.55 -2.06 -3.44 115.95 113.26 3kfn h TRP 6 Ca 0.00 0.00 -0.47 0.00 0.95 0.00 0.00 58.89 59.37 3kfn h TRP 6 Cb 1.05 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.21 3kfn h TRP 6 CO 0.19 0.18 -0.63 0.15 -1.05 0.00 0.00 178.44 177.28 3kfn s LYS 7 N -4.55 1.59 0.25 0.49 1.02 -1.26 -5.11 119.74 112.16 3kfn s LYS 7 Ca -0.04 -1.85 -0.31 0.00 0.02 0.00 0.00 55.97 53.79 3kfn s LYS 7 Cb 0.15 -0.94 -0.12 0.00 -0.52 0.00 0.00 37.83 36.40 3kfn s LYS 7 CO 0.68 -0.10 1.65 0.54 -0.92 0.00 0.00 175.35 177.20 3kfn n ARG 8 N -0.63 2.71 -1.55 1.68 1.74 -1.26 -4.85 116.66 114.49 3kfn n ARG 8 Ca -0.04 0.97 -0.41 0.00 -0.77 0.00 0.00 57.85 57.60 3kfn n ARG 8 Cb 0.65 -2.78 -0.03 0.00 -1.02 0.00 0.00 32.46 29.28 3kfn n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3kfn n PRO 9 N 3.04 2.09 -3.13 5.56 -0.04 -1.26 -4.93 135.00 136.34 3kfn n PRO 9 Ca 0.12 -2.28 -0.39 0.00 -0.04 0.00 0.00 63.50 60.92 3kfn n PRO 9 Cb 0.35 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.59 3kfn n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kfn s LEU 10 N 2.78 4.34 0.17 1.53 1.43 -1.26 -0.85 118.68 126.82 3kfn s LEU 10 Ca 0.55 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.80 3kfn s LEU 10 Cb 0.12 -2.98 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 3kfn s LEU 10 CO 0.05 -0.04 -0.04 0.68 0.23 0.00 0.00 176.35 177.23 3kfn s VAL 11 N 0.50 0.92 0.13 -1.59 -7.23 -0.38 -4.95 120.40 107.81 3kfn s VAL 11 Ca 0.34 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 58.23 3kfn s VAL 11 Cb -0.17 -2.04 -0.07 0.00 0.56 0.00 0.00 36.38 34.66 3kfn s VAL 11 CO 0.17 -0.57 0.83 -0.89 -0.31 0.00 0.00 175.10 174.32 3kfn s THR 12 N -3.49 4.46 0.24 5.32 2.01 -1.26 -0.77 115.64 122.15 3kfn s THR 12 Ca 0.21 1.80 0.10 0.00 0.31 0.00 0.00 61.69 64.11 3kfn s THR 12 Cb 0.05 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 3kfn s THR 12 CO 0.03 0.44 -0.17 0.27 -0.69 0.00 0.00 174.62 174.50 3kfn s ILE 13 N -0.62 2.09 -0.08 1.82 -4.36 -0.13 -2.24 121.20 117.69 3kfn s ILE 13 Ca 0.39 -2.30 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 3kfn s ILE 13 Cb -0.23 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.30 3kfn s ILE 13 CO 0.27 -0.49 -0.20 -0.75 0.24 0.00 0.00 174.94 174.01 3kfn s LYS 14 N -3.58 2.47 -0.20 0.37 2.20 -0.31 -1.52 119.74 119.17 3kfn s LYS 14 Ca 0.26 -0.71 -0.13 0.00 -0.36 0.00 0.00 55.97 55.03 3kfn s LYS 14 Cb -0.03 -1.94 0.06 0.00 -1.51 0.00 0.00 37.83 34.42 3kfn s LYS 14 CO 0.11 0.15 0.50 -1.50 -0.36 0.00 0.00 175.35 174.24 3kfn s ILE 15 N 0.39 -0.01 -1.45 5.43 2.07 -0.23 -1.26 121.20 126.14 3kfn s ILE 15 Ca -0.15 0.04 -0.05 0.00 -1.41 0.00 0.00 60.65 59.07 3kfn s ILE 15 Cb -0.17 -0.72 0.03 0.00 0.13 0.00 0.00 42.46 41.73 3kfn s ILE 15 CO 0.06 0.02 0.49 0.61 -1.91 0.00 0.00 174.94 174.21 3kfn n GLY 16 N 3.77 -0.51 2.56 1.50 0.00 -1.26 -1.39 105.19 109.86 3kfn n GLY 16 Ca -0.19 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3kfn n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfn n GLY 17 N -1.33 0.34 3.57 -0.02 0.00 -1.26 -5.03 105.19 101.46 3kfn n GLY 17 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3kfn n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kfn s GLN 18 N -0.76 2.47 -0.05 1.61 -0.21 -0.49 -5.11 119.66 117.12 3kfn s GLN 18 Ca 0.00 -0.77 -0.17 0.00 0.02 0.00 0.00 55.36 54.44 3kfn s GLN 18 Cb 0.00 -2.44 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 3kfn s GLN 18 CO 0.00 0.59 0.47 -0.51 -2.12 0.00 0.00 175.29 173.72 3kfn s LEU 19 N -1.42 4.37 0.22 2.90 1.43 -1.26 -1.07 118.68 123.86 3kfn s LEU 19 Ca 0.17 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 3kfn s LEU 19 Cb -0.11 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 3kfn s LEU 19 CO 0.07 0.14 0.04 -0.54 0.23 0.00 0.00 176.35 176.29 3kfn s LYS 20 N -0.16 1.28 -0.10 1.70 1.02 -0.58 -5.00 119.74 117.90 3kfn s LYS 20 Ca 0.26 -1.65 -0.02 0.00 0.02 0.00 0.00 55.97 54.57 3kfn s LYS 20 Cb -0.16 -0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 36.79 3kfn s LYS 20 CO 0.12 -0.19 -0.01 -2.00 -0.92 0.00 0.00 175.35 172.35 3kfn s GLU 21 N -3.95 3.15 0.06 1.68 2.12 -1.26 -0.95 118.70 119.54 3kfn s GLU 21 Ca 0.30 -0.44 -0.03 0.00 0.36 0.00 0.00 54.97 55.17 3kfn s GLU 21 Cb 0.07 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.60 3kfn s GLU 21 CO 0.09 0.59 0.03 0.00 -0.54 0.00 0.00 175.26 175.42 3kfn s ALA 22 N -0.56 0.34 -0.23 6.30 0.00 0.05 -4.48 121.76 123.18 3kfn s ALA 22 Ca 0.09 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 3kfn s ALA 22 Cb -0.12 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 3kfn s ALA 22 CO 0.02 -0.41 0.16 -1.17 0.00 0.00 0.00 175.76 174.36 3kfn s LEU 23 N -2.91 4.14 -0.48 0.00 2.96 0.11 -1.24 118.68 121.25 3kfn s LEU 23 Ca 0.07 0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.85 3kfn s LEU 23 Cb 0.07 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 3kfn s LEU 23 CO -0.10 0.09 1.59 -0.76 -1.32 0.00 0.00 176.35 175.85 3kfn s LEU 24 N 0.88 3.44 -0.40 -0.68 1.43 -0.03 -1.37 118.68 121.96 3kfn s LEU 24 Ca 0.08 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 3kfn s LEU 24 Cb -0.13 -3.17 0.11 0.00 0.03 0.00 0.00 46.19 43.04 3kfn s LEU 24 CO 0.03 -1.78 0.13 -0.62 0.23 0.00 0.00 176.35 174.34 3kfn s ASP 25 N 5.44 4.43 0.53 2.29 -1.08 -0.54 -4.77 116.67 122.97 3kfn s ASP 25 Ca 0.64 -2.37 0.28 0.00 -0.52 0.00 0.00 52.55 50.57 3kfn s ASP 25 Cb -0.14 -1.47 1.46 0.00 -1.46 0.00 0.00 42.92 41.31 3kfn s ASP 25 CO 0.28 -0.33 2.07 0.71 0.52 0.00 0.00 175.17 178.42 3kfn h THR 26 N 6.15 0.55 -0.14 1.71 1.35 -1.93 -2.04 112.91 118.55 3kfn h THR 26 Ca -0.06 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3kfn h THR 26 Cb 0.97 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3kfn h THR 26 CO 0.56 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 3kfn n GLY 27 N -0.68 -0.19 3.53 5.82 0.00 -1.26 -4.83 105.19 107.57 3kfn n GLY 27 Ca -0.02 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 3kfn n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfn s ALA 28 N -1.81 3.27 0.35 4.61 0.00 -0.77 -4.98 121.76 122.43 3kfn s ALA 28 Ca 0.21 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.31 3kfn s ALA 28 Cb 0.11 -2.00 0.65 0.00 0.00 0.00 0.00 23.12 21.87 3kfn s ALA 28 CO 0.16 -0.17 1.82 -0.44 0.00 0.00 0.00 175.76 177.12 3kfn h ASP 29 N 7.52 0.18 -3.34 0.00 3.32 -1.88 -2.04 116.42 120.17 3kfn h ASP 29 Ca -0.37 -0.06 -0.44 0.00 0.02 0.00 0.00 57.03 56.19 3kfn h ASP 29 Cb 1.18 -0.05 -0.15 0.00 0.22 0.00 0.00 39.33 40.53 3kfn h ASP 29 CO 0.63 0.47 -0.73 -1.81 -1.72 0.00 0.00 179.24 176.07 3kfn s ASP 30 N -6.89 2.46 -0.10 6.45 1.01 -1.26 -3.09 116.67 115.25 3kfn s ASP 30 Ca -0.04 -1.00 -0.15 0.00 0.71 0.00 0.00 52.55 52.06 3kfn s ASP 30 Cb 0.14 -0.12 -0.05 0.00 1.01 0.00 0.00 42.92 43.91 3kfn s ASP 30 CO 0.74 -0.18 0.37 -0.89 0.21 0.00 0.00 175.17 175.42 3kfn s THR 31 N -2.95 5.20 -0.04 -1.27 2.01 -1.26 -3.48 115.64 113.85 3kfn s THR 31 Ca 0.21 0.73 -0.01 0.00 0.31 0.00 0.00 61.69 62.93 3kfn s THR 31 Cb -0.01 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.83 3kfn s THR 31 CO 0.06 0.44 0.02 -0.69 -0.69 0.00 0.00 174.62 173.76 3kfn s VAL 32 N -0.01 0.12 0.24 3.82 1.01 0.10 -1.47 120.40 124.22 3kfn s VAL 32 Ca 0.21 0.22 0.11 0.00 0.00 0.00 0.00 61.98 62.53 3kfn s VAL 32 Cb -0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 3kfn s VAL 32 CO 0.08 0.19 -0.19 -0.76 0.00 0.00 0.00 175.10 174.42 3kfn s LEU 33 N 1.69 2.62 0.83 3.92 1.43 -0.42 -0.43 118.68 128.32 3kfn s LEU 33 Ca -0.00 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 52.07 3kfn s LEU 33 Cb -0.13 -1.23 0.08 0.00 0.03 0.00 0.00 46.19 44.94 3kfn s LEU 33 CO -0.03 0.07 1.06 -1.84 0.23 0.00 0.00 176.35 175.84 3kfn n GLU 34 N -0.25 0.05 -1.40 1.70 0.28 -1.26 -2.11 120.64 117.65 3kfn n GLU 34 Ca -0.08 0.09 -0.55 0.00 -0.16 0.00 0.00 57.16 56.46 3kfn n GLU 34 Cb 0.58 -2.32 -0.08 0.00 1.43 0.00 0.00 31.44 31.05 3kfn n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kfn n GLU 35 N -3.05 0.00 -3.48 3.44 -0.58 -1.19 -4.54 120.64 111.24 3kfn n GLU 35 Ca 0.12 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.77 3kfn n GLU 35 Cb 0.51 -1.30 -0.02 0.00 -0.57 0.00 0.00 31.44 30.05 3kfn n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kfn s MET 36 N 1.13 0.94 0.04 3.49 0.23 -1.26 -5.02 119.30 118.85 3kfn s MET 36 Ca 0.84 -0.31 -0.11 0.00 -1.03 0.00 0.00 55.69 55.08 3kfn s MET 36 Cb -1.19 0.44 -0.06 0.00 -1.53 0.00 0.00 34.83 32.49 3kfn s MET 36 CO 0.59 -0.41 0.37 1.21 -2.03 0.00 0.00 175.02 174.75 3kfn s ASN 37 N -2.46 6.66 0.15 -1.18 2.47 -1.26 -5.01 114.94 114.30 3kfn s ASN 37 Ca 0.03 0.79 0.05 0.00 0.42 0.00 0.00 52.86 54.16 3kfn s ASN 37 Cb -0.01 -2.18 -0.04 0.00 -1.45 0.00 0.00 41.25 37.57 3kfn s ASN 37 CO -0.09 0.24 -0.12 -0.76 -3.72 0.00 0.00 177.10 172.65 3kfn s LEU 38 N -1.60 2.50 0.49 3.21 1.43 -1.26 -4.98 118.68 118.46 3kfn s LEU 38 Ca 0.29 -0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 52.20 3kfn s LEU 38 Cb -0.14 -0.44 -0.06 0.00 0.03 0.00 0.00 46.19 45.57 3kfn s LEU 38 CO 0.16 -0.26 1.24 -2.16 0.23 0.00 0.00 176.35 175.56 3kfn s PRO 39 N -3.43 3.54 0.04 1.29 0.04 -1.26 -4.89 135.00 130.33 3kfn s PRO 39 Ca 0.15 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.15 3kfn s PRO 39 Cb 0.00 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3kfn s PRO 39 CO 0.02 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.69 3kfn n GLY 40 N 0.56 -2.71 3.93 0.56 0.00 -1.26 -4.91 105.19 101.35 3kfn n GLY 40 Ca 0.08 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 3kfn n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kfn s ARG 41 N -0.39 3.53 0.31 1.61 6.06 -1.26 -5.11 118.95 123.69 3kfn s ARG 41 Ca 0.00 -0.17 0.05 0.00 -2.50 0.00 0.00 55.73 53.11 3kfn s ARG 41 Cb 0.00 -2.61 -0.06 0.00 0.06 0.00 0.00 34.95 32.33 3kfn s ARG 41 CO 0.00 0.11 0.01 1.67 -2.50 0.00 0.00 175.30 174.58 3kfn s TRP 42 N -2.33 1.97 0.02 5.12 1.48 -1.26 -4.52 118.94 119.41 3kfn s TRP 42 Ca 0.42 -0.83 -0.02 0.00 -1.06 0.00 0.00 56.10 54.61 3kfn s TRP 42 Cb -0.10 -1.23 -0.01 0.00 -1.16 0.00 0.00 33.47 30.97 3kfn s TRP 42 CO 0.36 0.14 0.01 -1.59 -4.06 0.00 0.00 176.95 171.82 3kfn s LYS 43 N -3.81 0.35 0.61 3.25 -2.85 -1.00 -4.92 119.74 111.37 3kfn s LYS 43 Ca 0.33 -0.55 -0.18 0.00 -1.00 0.00 0.00 55.97 54.57 3kfn s LYS 43 Cb 0.07 0.13 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 3kfn s LYS 43 CO 0.14 -0.07 1.18 -1.25 0.10 0.00 0.00 175.35 175.45 3kfn s PRO 44 N -1.43 2.95 -0.04 1.78 0.04 -1.26 -0.91 135.00 136.12 3kfn s PRO 44 Ca -0.16 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 62.40 3kfn s PRO 44 Cb -0.09 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.54 3kfn s PRO 44 CO -0.00 -1.19 0.42 0.21 0.04 0.00 0.00 177.00 176.47 3kfn s LYS 45 N -3.49 0.74 -0.15 4.56 2.20 -0.77 -4.83 119.74 118.00 3kfn s LYS 45 Ca 0.75 0.02 -0.05 0.00 -0.36 0.00 0.00 55.97 56.32 3kfn s LYS 45 Cb -0.27 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 3kfn s LYS 45 CO 0.34 -0.20 0.03 -1.64 -0.36 0.00 0.00 175.35 173.52 3kfn s MET 46 N -1.09 3.67 0.14 4.03 -1.94 -1.26 0.06 119.30 122.91 3kfn s MET 46 Ca -0.11 -0.39 0.09 0.00 -1.71 0.00 0.00 55.69 53.58 3kfn s MET 46 Cb -0.04 -3.05 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 3kfn s MET 46 CO 0.05 0.38 -0.22 0.96 -0.01 0.00 0.00 175.02 176.19 3kfn s ILE 47 N 0.03 1.95 0.18 2.53 -4.36 -0.39 -4.97 121.20 116.16 3kfn s ILE 47 Ca 0.04 -1.76 0.11 0.00 -0.26 0.00 0.00 60.65 58.78 3kfn s ILE 47 Cb -0.13 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 3kfn s ILE 47 CO 0.01 -0.10 -0.22 -0.83 0.24 0.00 0.00 174.94 174.04 3kfn s GLY 48 N -2.25 1.70 0.00 6.27 0.00 -1.26 -0.98 107.32 110.80 3kfn s GLY 48 Ca 0.12 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3kfn s GLY 48 CO 0.06 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.17 3kfn n GLY 49 N 0.33 2.44 3.64 0.20 0.00 0.13 -4.98 105.19 106.95 3kfn n GLY 49 Ca -0.13 -0.59 -0.46 0.00 0.00 0.00 0.00 46.02 44.84 3kfn n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kfn n ILE 50 N 0.00 0.56 0.00 -0.61 2.08 -1.26 -1.80 119.36 118.32 3kfn n ILE 50 Ca 0.00 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.12 3kfn n ILE 50 Cb 0.00 -2.09 0.00 0.00 -0.75 0.00 0.00 39.64 36.80 3kfn n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kfn n GLY 51 N 4.89 0.52 0.00 7.39 0.00 -1.26 -4.95 105.19 111.77 3kfn n GLY 51 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3kfn n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfn n GLY 52 N -1.39 0.19 3.43 -0.02 0.00 -0.75 -5.06 105.19 101.59 3kfn n GLY 52 Ca 0.00 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 3kfn n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kfn s PHE 53 N 0.00 2.50 0.08 1.61 0.40 -1.26 -0.69 117.98 120.61 3kfn s PHE 53 Ca 0.00 -0.29 0.07 0.00 -0.60 0.00 0.00 56.93 56.10 3kfn s PHE 53 Cb 0.00 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 3kfn s PHE 53 CO 0.00 0.23 -0.18 0.96 0.70 0.00 0.00 175.22 176.93 3kfn s ILE 54 N -0.90 1.46 -0.00 0.64 -4.36 -0.15 -4.97 121.20 112.91 3kfn s ILE 54 Ca 0.14 -1.35 -0.24 0.00 -0.26 0.00 0.00 60.65 58.94 3kfn s ILE 54 Cb -0.10 -1.33 -0.05 0.00 1.25 0.00 0.00 42.46 42.23 3kfn s ILE 54 CO 0.05 -0.06 0.72 -0.75 0.24 0.00 0.00 174.94 175.14 3kfn s LYS 55 N -1.64 4.44 0.27 0.37 2.20 -1.26 -1.27 119.74 122.85 3kfn s LYS 55 Ca 0.04 0.95 0.03 0.00 -0.36 0.00 0.00 55.97 56.62 3kfn s LYS 55 Cb -0.09 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 3kfn s LYS 55 CO 0.03 0.22 0.06 0.14 -0.36 0.00 0.00 175.35 175.44 3kfn s VAL 56 N 0.21 0.87 -0.14 4.02 -7.23 0.11 -4.55 120.40 113.69 3kfn s VAL 56 Ca 0.37 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 3kfn s VAL 56 Cb -0.19 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 3kfn s VAL 56 CO 0.20 -0.11 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.71 3kfn s ARG 57 N -3.94 3.56 -0.24 4.82 0.52 0.30 -1.84 118.95 122.12 3kfn s ARG 57 Ca 0.34 -0.53 -0.12 0.00 -0.52 0.00 0.00 55.73 54.91 3kfn s ARG 57 Cb 0.07 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 3kfn s ARG 57 CO 0.12 0.29 0.22 -1.14 0.02 0.00 0.00 175.30 174.81 3kfn s GLN 58 N 0.23 4.06 -0.08 3.54 0.74 -0.09 -0.07 119.66 127.99 3kfn s GLN 58 Ca -0.03 -0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.23 3kfn s GLN 58 Cb -0.14 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 3kfn s GLN 58 CO 0.03 -0.03 -0.14 0.71 -0.55 0.00 0.00 175.29 175.31 3kfn s TYR 59 N 1.33 2.74 0.25 1.67 1.51 0.66 -2.37 117.35 123.14 3kfn s TYR 59 Ca 0.10 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 3kfn s TYR 59 Cb -0.14 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 3kfn s TYR 59 CO 0.07 0.06 0.38 -0.51 -1.11 0.00 0.00 175.55 174.44 3kfn s ASP 60 N -0.38 6.32 -1.33 2.29 1.01 -1.26 -0.22 116.67 123.11 3kfn s ASP 60 Ca 0.04 0.15 -0.02 0.00 0.71 0.00 0.00 52.55 53.43 3kfn s ASP 60 Cb -0.12 -1.89 -0.00 0.00 1.01 0.00 0.00 42.92 41.91 3kfn s ASP 60 CO 0.02 -0.09 0.60 0.00 0.21 0.00 0.00 175.17 175.91 3kfn n GLN 61 N -1.36 -3.96 -3.71 8.23 6.02 -1.19 -4.90 117.38 116.51 3kfn n GLN 61 Ca -0.08 0.53 -0.35 0.00 -0.01 0.00 0.00 57.00 57.08 3kfn n GLN 61 Cb 0.56 -4.85 -0.08 0.00 1.02 0.00 0.00 30.24 26.89 3kfn n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kfn s ILE 62 N -3.77 5.40 0.33 5.09 -1.09 0.17 -4.82 121.20 122.52 3kfn s ILE 62 Ca 0.04 0.23 -0.20 0.00 -2.23 0.00 0.00 60.65 58.49 3kfn s ILE 62 Cb -0.01 -3.49 -0.10 0.00 -1.58 0.00 0.00 42.46 37.28 3kfn s ILE 62 CO 0.84 0.43 0.84 -0.76 -1.23 0.00 0.00 174.94 175.07 3kfn s LEU 63 N 0.38 4.14 -0.07 2.97 1.43 -1.26 -1.73 118.68 124.53 3kfn s LEU 63 Ca 0.09 1.54 -0.22 0.00 -1.03 0.00 0.00 54.13 54.51 3kfn s LEU 63 Cb -0.11 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 42.05 3kfn s LEU 63 CO -0.01 -0.18 0.51 -0.51 0.23 0.00 0.00 176.35 176.39 3kfn s ILE 64 N -1.87 0.02 -0.18 -0.59 2.07 -0.43 -4.58 121.20 115.64 3kfn s ILE 64 Ca 0.53 -0.18 -0.01 0.00 -1.41 0.00 0.00 60.65 59.59 3kfn s ILE 64 Cb -0.13 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.67 3kfn s ILE 64 CO 0.18 -0.10 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.36 3kfn s GLU 65 N -0.94 3.18 -0.36 3.50 2.02 -0.39 -1.27 118.70 124.43 3kfn s GLU 65 Ca -0.10 -0.75 -0.06 0.00 0.02 0.00 0.00 54.97 54.09 3kfn s GLU 65 Cb -0.03 -2.71 0.06 0.00 0.10 0.00 0.00 34.13 31.55 3kfn s GLU 65 CO 0.06 -0.13 0.13 0.42 0.02 0.00 0.00 175.26 175.77 3kfn s ILE 66 N 1.17 3.68 -1.66 -1.63 1.01 0.80 -1.16 121.20 123.41 3kfn s ILE 66 Ca 0.02 -1.34 -0.02 0.00 0.00 0.00 0.00 60.65 59.30 3kfn s ILE 66 Cb -0.14 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.15 3kfn s ILE 66 CO -0.06 -0.30 0.26 0.00 0.00 0.00 0.00 174.94 174.84 3kfn n GLY 68 N -1.22 0.48 3.48 0.00 0.00 -1.26 -5.02 105.19 101.65 3kfn n GLY 68 Ca -0.19 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 3kfn n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kfn s HIS 69 N -1.92 3.10 0.39 1.61 4.02 -0.16 -5.09 115.29 117.25 3kfn s HIS 69 Ca 0.00 -0.33 -0.25 0.00 1.02 0.00 0.00 55.06 55.49 3kfn s HIS 69 Cb 0.00 -2.14 -0.09 0.00 -1.02 0.00 0.00 32.58 29.33 3kfn s HIS 69 CO 0.00 -0.21 1.13 0.15 1.02 0.00 0.00 174.74 176.83 3kfn s LYS 70 N 1.12 4.13 0.12 1.40 1.02 -1.26 -0.14 119.74 126.13 3kfn s LYS 70 Ca 0.04 1.75 -0.14 0.00 0.02 0.00 0.00 55.97 57.64 3kfn s LYS 70 Cb -0.14 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.51 3kfn s LYS 70 CO 0.03 -0.23 0.35 0.00 -0.92 0.00 0.00 175.35 174.57 3kfn s ALA 71 N -1.46 -0.71 0.03 5.17 0.00 -0.40 -4.75 121.76 119.65 3kfn s ALA 71 Ca 0.56 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.31 3kfn s ALA 71 Cb -0.29 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 3kfn s ALA 71 CO 0.36 -0.62 -0.10 -1.50 0.00 0.00 0.00 175.76 173.90 3kfn s ILE 72 N -3.83 0.77 -1.52 0.00 2.07 -1.26 -1.31 121.20 116.12 3kfn s ILE 72 Ca 0.05 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 58.41 3kfn s ILE 72 Cb 0.02 -0.74 0.00 0.00 0.13 0.00 0.00 42.46 41.88 3kfn s ILE 72 CO -0.10 -0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.43 3kfn n GLY 73 N 1.95 -1.31 3.74 1.50 0.00 -0.71 -4.90 105.19 105.47 3kfn n GLY 73 Ca -0.19 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 3kfn n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kfn s THR 74 N -2.94 3.47 -0.03 2.61 2.01 -1.26 -0.65 115.64 118.84 3kfn s THR 74 Ca 0.00 1.28 0.03 0.00 0.31 0.00 0.00 61.69 63.30 3kfn s THR 74 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3kfn s THR 74 CO 0.00 0.22 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.35 3kfn s VAL 75 N -0.25 0.94 0.02 3.82 1.01 0.70 -4.47 120.40 122.16 3kfn s VAL 75 Ca 0.52 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3kfn s VAL 75 Cb -0.33 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3kfn s VAL 75 CO 0.38 0.29 0.00 -0.76 0.00 0.00 0.00 175.10 175.02 3kfn s LEU 76 N 0.22 3.51 -0.05 3.92 1.43 -0.54 -0.24 118.68 126.93 3kfn s LEU 76 Ca -0.04 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3kfn s LEU 76 Cb -0.10 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.07 3kfn s LEU 76 CO 0.01 0.26 -0.12 -0.69 0.23 0.00 0.00 176.35 176.04 3kfn s VAL 77 N -1.13 1.09 -1.10 -1.59 1.01 0.90 -1.30 120.40 118.28 3kfn s VAL 77 Ca 0.21 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3kfn s VAL 77 Cb -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3kfn s VAL 77 CO 0.12 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3kfn n GLY 78 N 3.60 -0.98 2.45 4.51 0.00 -0.90 0.11 105.19 113.98 3kfn n GLY 78 Ca -0.21 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 3kfn n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kfn n PRO 79 N 0.00 2.67 -3.47 1.61 -0.04 -1.26 -3.18 135.00 131.33 3kfn n PRO 79 Ca 0.00 -1.68 -0.38 0.00 -0.04 0.00 0.00 63.50 61.40 3kfn n PRO 79 Cb 0.00 -2.53 -0.06 0.00 -0.04 0.00 0.00 33.50 30.87 3kfn n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kfn s THR 80 N 2.74 5.04 0.24 0.52 -1.32 -1.26 -4.98 115.64 116.62 3kfn s THR 80 Ca 0.52 0.86 0.31 0.00 -1.21 0.00 0.00 61.69 62.18 3kfn s THR 80 Cb 0.15 -3.73 0.33 0.00 -1.51 0.00 0.00 72.50 67.74 3kfn s THR 80 CO -0.04 0.54 2.00 1.55 -2.21 0.00 0.00 174.62 176.46 3kfn h PRO 81 N 5.01 0.00 -3.89 7.08 0.13 -1.99 -3.42 132.00 134.92 3kfn h PRO 81 Ca -0.50 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.40 3kfn h PRO 81 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 3kfn h PRO 81 CO 0.64 0.09 -0.72 0.54 -0.23 0.00 0.00 178.00 178.32 3kfn s VAL 82 N -3.83 0.10 0.15 1.56 0.11 -1.26 -5.08 120.40 112.15 3kfn s VAL 82 Ca -0.01 -0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 58.49 3kfn s VAL 82 Cb 0.11 -0.13 -0.07 0.00 -1.53 0.00 0.00 36.38 34.75 3kfn s VAL 82 CO 0.56 -0.10 1.21 0.20 -3.33 0.00 0.00 175.10 173.64 3kfn s ASN 83 N -0.37 7.08 -0.11 3.54 0.01 -1.26 -4.75 114.94 119.07 3kfn s ASN 83 Ca -0.03 2.18 0.00 0.00 -0.71 0.00 0.00 52.86 54.30 3kfn s ASN 83 Cb -0.03 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.06 3kfn s ASN 83 CO -0.00 -0.41 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.45 3kfn s ILE 84 N 0.28 1.15 -0.44 0.60 1.01 0.42 0.05 121.20 124.27 3kfn s ILE 84 Ca 0.55 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.61 3kfn s ILE 84 Cb -0.32 -1.13 0.03 0.00 0.01 0.00 0.00 42.46 41.05 3kfn s ILE 84 CO 0.34 0.38 0.60 -0.63 0.00 0.00 0.00 174.94 175.63 3kfn s ILE 85 N 1.48 4.89 0.74 2.92 -1.09 -0.47 0.02 121.20 129.68 3kfn s ILE 85 Ca 0.01 -0.06 -0.04 0.00 -2.23 0.00 0.00 60.65 58.34 3kfn s ILE 85 Cb -0.13 -4.18 0.12 0.00 -1.58 0.00 0.00 42.46 36.68 3kfn s ILE 85 CO -0.07 -0.58 1.02 -0.83 -1.23 0.00 0.00 174.94 173.25 3kfn s GLY 86 N 2.03 1.76 0.43 6.18 0.00 -1.23 -1.46 107.32 115.03 3kfn s GLY 86 Ca 0.19 -1.46 0.12 0.00 0.00 0.00 0.00 44.72 43.57 3kfn s GLY 86 CO 0.17 -0.93 2.00 3.21 0.00 0.00 0.00 173.10 177.55 3kfn h ARG 87 N -0.64 0.43 -0.22 2.90 3.08 -1.46 -0.49 114.38 117.98 3kfn h ARG 87 Ca -0.40 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.69 3kfn h ARG 87 Cb 1.27 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 3kfn h ARG 87 CO 0.45 0.28 0.27 -2.95 -1.07 0.00 0.00 179.97 176.95 3kfn h ASN 88 N 0.44 0.00 0.00 7.04 -1.07 -1.81 -0.56 115.58 119.63 3kfn h ASN 88 Ca 0.25 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.47 3kfn h ASN 88 Cb 0.41 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.63 3kfn h ASN 88 CO -0.07 0.00 -1.66 0.18 0.07 0.00 0.00 177.43 175.95 3kfn n LEU 89 N -3.67 0.00 -0.08 6.14 4.77 -0.80 -4.48 117.00 118.88 3kfn n LEU 89 Ca 0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.00 3kfn n LEU 89 Cb 0.40 0.20 0.25 0.00 -2.33 0.00 0.00 43.42 41.94 3kfn n LEU 89 CO 0.26 0.20 0.99 -0.07 -1.33 0.00 0.00 177.39 177.44 3kfn h LEU 90 N 0.00 0.65 -1.73 2.23 3.38 -0.76 -1.90 115.31 117.18 3kfn h LEU 90 Ca -0.22 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 57.77 3kfn h LEU 90 Cb 1.38 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3kfn h LEU 90 CO 0.01 0.64 0.40 0.71 0.09 0.00 0.00 178.44 180.29 3kfn h THR 91 N 0.68 0.84 0.00 0.22 1.35 -1.33 -2.03 112.91 112.65 3kfn h THR 91 Ca 0.15 -0.10 -0.10 0.00 -0.55 0.00 0.00 66.41 65.82 3kfn h THR 91 Cb 0.25 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 3kfn h THR 91 CO -0.00 0.05 -0.67 1.56 -0.25 0.00 0.00 175.52 176.21 3kfn h GLN 92 N 0.30 0.00 -0.06 4.72 1.08 -1.58 -2.62 115.11 116.95 3kfn h GLN 92 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 3kfn h GLN 92 Cb 0.69 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 3kfn h GLN 92 CO -0.06 0.35 0.00 0.44 -0.95 0.00 0.00 178.83 178.61 3kfn n ILE 93 N -3.10 0.07 -1.68 2.54 -5.35 -1.16 -4.92 119.36 105.76 3kfn n ILE 93 Ca -0.00 -0.32 -0.02 0.00 -0.27 0.00 0.00 62.75 62.14 3kfn n ILE 93 Cb 0.72 0.59 -0.00 0.00 -1.74 0.00 0.00 39.64 39.20 3kfn n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kfn n GLY 94 N 1.20 0.38 3.70 3.28 0.00 -0.99 -5.02 105.19 107.74 3kfn n GLY 94 Ca 0.18 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 3kfn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfn s THR 96 N 1.67 0.55 -0.07 0.00 -4.23 -1.26 -4.70 115.64 107.60 3kfn s THR 96 Ca 0.63 -1.11 -0.23 0.00 -1.18 0.00 0.00 61.69 59.80 3kfn s THR 96 Cb -0.33 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 3kfn s THR 96 CO 0.28 -0.39 0.69 -0.76 -0.54 0.00 0.00 174.62 173.90 3kfn s LEU 97 N -1.62 4.32 -0.07 4.79 1.43 -1.26 -5.07 118.68 121.19 3kfn s LEU 97 Ca -0.09 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 3kfn s LEU 97 Cb -0.10 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.07 3kfn s LEU 97 CO 0.00 -0.11 -0.13 0.20 0.23 0.00 0.00 176.35 176.54 3kfn s ASN 98 N 0.79 1.89 0.00 2.29 -0.87 -1.26 -5.30 114.94 112.48 3kfn s ASN 98 Ca 0.37 -0.32 0.00 0.00 -1.57 0.00 0.00 52.86 51.34 3kfn s ASN 98 Cb -0.18 -0.87 0.00 0.00 -0.02 0.00 0.00 41.25 40.18 3kfn s ASN 98 CO 0.18 0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.96