#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fn5 n HIS 2 N 0.00 0.60 -1.28 1.61 8.25 -1.26 -5.03 115.22 118.10 2fn5 n HIS 2 Ca 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 2fn5 n HIS 2 Cb 0.00 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 30.89 2fn5 n HIS 2 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2fn5 n MET 3 N -0.62 -2.36 -2.90 -0.41 0.00 -1.26 -4.92 117.12 104.65 2fn5 n MET 3 Ca 0.18 1.97 -0.43 0.00 0.00 0.00 0.00 57.70 59.41 2fn5 n MET 3 Cb 0.74 -1.96 -0.05 0.00 0.00 0.00 0.00 33.22 31.95 2fn5 n MET 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2fn5 s GLU 4 N -1.83 3.37 -0.25 2.12 2.12 -0.59 -4.86 118.70 118.79 2fn5 s GLU 4 Ca 0.00 -0.19 -0.20 0.00 0.36 0.00 0.00 54.97 54.94 2fn5 s GLU 4 Cb 0.00 -4.00 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 2fn5 s GLU 4 CO 0.00 -1.30 0.62 -0.51 -0.54 0.00 0.00 175.26 173.52 2fn5 s LEU 5 N 3.61 4.07 0.02 2.70 2.01 -1.26 -0.89 118.68 128.94 2fn5 s LEU 5 Ca 0.30 0.70 0.04 0.00 0.01 0.00 0.00 54.13 55.18 2fn5 s LEU 5 Cb -0.12 -2.83 -0.02 0.00 0.01 0.00 0.00 46.19 43.23 2fn5 s LEU 5 CO 0.21 -0.35 -0.12 0.72 1.01 0.00 0.00 176.35 177.82 2fn5 s PHE 6 N 2.43 1.03 -0.09 0.29 -0.12 0.18 -4.95 117.98 116.74 2fn5 s PHE 6 Ca 0.26 -0.29 -0.26 0.00 -0.05 0.00 0.00 56.93 56.59 2fn5 s PHE 6 Cb -0.16 -0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 41.58 2fn5 s PHE 6 CO 0.09 0.00 0.82 -1.25 -0.05 0.00 0.00 175.22 174.83 2fn5 s PRO 7 N -0.79 4.41 -0.32 1.99 0.04 -1.26 -1.24 135.00 137.83 2fn5 s PRO 7 Ca 0.01 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.14 2fn5 s PRO 7 Cb -0.06 -3.50 0.08 0.00 0.04 0.00 0.00 34.50 31.06 2fn5 s PRO 7 CO 0.00 -0.12 0.03 0.08 0.04 0.00 0.00 177.00 177.03 2fn5 s VAL 8 N 1.40 2.60 -0.58 -0.36 1.01 0.12 -4.94 120.40 119.65 2fn5 s VAL 8 Ca 0.41 -1.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.28 2fn5 s VAL 8 Cb -0.18 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.57 2fn5 s VAL 8 CO 0.18 -0.37 0.79 -0.70 0.00 0.00 0.00 175.10 175.00 2fn5 s GLU 9 N 1.07 3.13 0.12 2.72 2.12 -1.25 0.05 118.70 126.66 2fn5 s GLU 9 Ca 0.02 -0.91 -0.14 0.00 0.36 0.00 0.00 54.97 54.31 2fn5 s GLU 9 Cb -0.20 -4.18 -0.07 0.00 0.26 0.00 0.00 34.13 29.95 2fn5 s GLU 9 CO -0.05 -1.52 0.51 -1.17 -0.54 0.00 0.00 175.26 172.49 2fn5 s LEU 10 N 3.25 4.36 -0.75 2.70 1.98 0.12 -4.86 118.68 125.47 2fn5 s LEU 10 Ca 0.18 1.02 -0.01 0.00 -2.89 0.00 0.00 54.13 52.43 2fn5 s LEU 10 Cb -0.19 -3.15 0.19 0.00 0.66 0.00 0.00 46.19 43.69 2fn5 s LEU 10 CO 0.11 0.14 0.59 -0.70 -1.89 0.00 0.00 176.35 174.59 2fn5 s GLU 11 N -1.87 2.83 0.87 1.98 2.12 -1.25 -0.72 118.70 122.66 2fn5 s GLU 11 Ca 0.36 -2.99 -0.12 0.00 0.36 0.00 0.00 54.97 52.59 2fn5 s GLU 11 Cb -0.15 -3.77 0.11 0.00 0.26 0.00 0.00 34.13 30.59 2fn5 s GLU 11 CO 0.19 -1.23 1.10 0.15 -0.54 0.00 0.00 175.26 174.93 2fn5 s LYS 12 N -0.84 1.49 0.47 4.30 -0.14 0.44 -4.85 119.74 120.60 2fn5 s LYS 12 Ca 0.23 0.71 -0.06 0.00 -1.36 0.00 0.00 55.97 55.49 2fn5 s LYS 12 Cb -0.13 -1.84 0.10 0.00 -1.68 0.00 0.00 37.83 34.28 2fn5 s LYS 12 CO -0.09 -2.05 0.64 -0.40 -0.76 0.00 0.00 175.35 172.70 2fn5 n ASP 13 N -3.74 0.29 0.00 2.83 5.68 -1.26 -4.64 116.55 115.71 2fn5 n ASP 13 Ca 0.07 -1.38 0.13 0.00 -0.50 0.00 0.00 54.79 53.11 2fn5 n ASP 13 Cb 0.56 -0.47 0.59 0.00 -1.14 0.00 0.00 41.12 40.65 2fn5 n ASP 13 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2fn5 n GLU 14 N -2.31 0.07 0.01 0.11 0.28 -1.26 -2.89 120.64 114.64 2fn5 n GLU 14 Ca 0.09 0.04 -0.18 0.00 -0.16 0.00 0.00 57.16 56.95 2fn5 n GLU 14 Cb 0.31 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.55 2fn5 n GLU 14 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2fn5 h ASP 15 N 0.00 0.41 -0.13 -1.84 3.58 -2.02 -3.50 116.42 112.91 2fn5 h ASP 15 Ca 0.00 -0.86 0.00 0.00 0.42 0.00 0.00 57.03 56.59 2fn5 h ASP 15 Cb 0.42 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2fn5 h ASP 15 CO 0.00 1.22 0.00 0.61 -2.88 0.00 0.00 179.24 178.19 2fn5 n GLY 16 N 1.33 0.71 0.07 -0.78 0.00 -1.14 -4.87 105.19 100.52 2fn5 n GLY 16 Ca -0.11 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 2fn5 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fn5 h LEU 17 N 0.00 -0.02 1.54 0.99 3.38 -1.88 -3.40 115.31 115.92 2fn5 h LEU 17 Ca 0.00 -0.71 -0.25 0.00 0.09 0.00 0.00 57.88 57.01 2fn5 h LEU 17 Cb 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2fn5 h LEU 17 CO 0.00 0.73 -0.30 0.61 0.09 0.00 0.00 178.44 179.57 2fn5 n GLY 18 N 1.01 0.15 4.01 0.83 0.00 -1.26 -4.00 105.19 105.93 2fn5 n GLY 18 Ca -0.09 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 2fn5 n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2fn5 s ILE 19 N -2.59 2.88 0.05 -0.61 -4.36 -1.26 -2.44 121.20 112.86 2fn5 s ILE 19 Ca 0.00 -0.98 0.03 0.00 -0.26 0.00 0.00 60.65 59.45 2fn5 s ILE 19 Cb 0.00 -2.90 -0.02 0.00 1.25 0.00 0.00 42.46 40.79 2fn5 s ILE 19 CO 0.00 0.00 -0.11 -0.44 0.24 0.00 0.00 174.94 174.63 2fn5 s SER 20 N -4.39 1.22 0.29 4.36 0.01 0.05 -4.89 113.70 110.35 2fn5 s SER 20 Ca 0.56 -0.51 0.10 0.00 1.31 0.00 0.00 55.95 57.41 2fn5 s SER 20 Cb -0.10 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 2fn5 s SER 20 CO 0.34 -0.10 -0.04 0.27 0.41 0.00 0.00 173.24 174.12 2fn5 s ILE 21 N -1.14 2.98 -0.05 1.44 -5.25 -1.26 0.06 121.20 117.98 2fn5 s ILE 21 Ca -0.04 -2.03 0.03 0.00 -0.99 0.00 0.00 60.65 57.61 2fn5 s ILE 21 Cb -0.09 -2.71 0.01 0.00 2.95 0.00 0.00 42.46 42.62 2fn5 s ILE 21 CO 0.01 -0.32 -0.12 -0.51 -1.79 0.00 0.00 174.94 172.21 2fn5 s ILE 22 N -2.43 1.10 -0.72 8.37 2.07 0.13 -4.51 121.20 125.21 2fn5 s ILE 22 Ca 0.32 -0.48 -0.20 0.00 -1.41 0.00 0.00 60.65 58.88 2fn5 s ILE 22 Cb -0.04 -0.99 0.10 0.00 0.13 0.00 0.00 42.46 41.66 2fn5 s ILE 22 CO 0.19 0.34 0.93 -0.83 -1.91 0.00 0.00 174.94 173.66 2fn5 s GLY 23 N 0.49 1.67 0.32 1.50 0.00 -1.26 -1.78 107.32 108.26 2fn5 s GLY 23 Ca -0.11 -2.24 0.02 0.00 0.00 0.00 0.00 44.72 42.40 2fn5 s GLY 23 CO 0.03 1.89 0.20 1.03 0.00 0.00 0.00 173.10 176.25 2fn5 n MET 24 N 6.91 1.06 -3.42 2.90 2.81 0.54 -4.95 117.12 122.98 2fn5 n MET 24 Ca 0.02 -2.06 -0.27 0.00 -1.81 0.00 0.00 57.70 53.58 2fn5 n MET 24 Cb 0.46 0.29 -0.11 0.00 -0.71 0.00 0.00 33.22 33.14 2fn5 n MET 24 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2fn5 s GLY 25 N -3.03 0.85 -0.25 3.03 0.00 -1.26 -3.55 107.32 103.10 2fn5 s GLY 25 Ca 0.15 -1.96 -0.20 0.00 0.00 0.00 0.00 44.72 42.71 2fn5 s GLY 25 CO 0.09 2.19 0.63 0.54 0.00 0.00 0.00 173.10 176.55 2fn5 s VAL 26 N 0.76 4.99 -1.06 1.40 0.11 -1.26 -4.05 120.40 121.28 2fn5 s VAL 26 Ca 0.23 1.13 0.00 0.00 -2.93 0.00 0.00 61.98 60.41 2fn5 s VAL 26 Cb -0.13 -3.93 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 2fn5 s VAL 26 CO -0.06 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 2fn5 n GLY 27 N 4.13 1.10 0.33 6.54 0.00 -1.26 -4.00 105.19 112.03 2fn5 n GLY 27 Ca -0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 2fn5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 h ALA 28 N 0.03 1.05 -0.21 4.61 0.00 -1.88 0.11 119.26 122.96 2fn5 h ALA 28 Ca -0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2fn5 h ALA 28 Cb 0.69 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2fn5 h ALA 28 CO 0.30 0.65 0.00 -0.25 0.00 0.00 0.00 179.25 179.96 2fn5 n ASP 29 N -4.26 2.76 -0.70 0.00 8.00 -1.26 -4.36 116.55 116.73 2fn5 n ASP 29 Ca 0.06 -2.22 0.07 0.00 0.71 0.00 0.00 54.79 53.40 2fn5 n ASP 29 Cb 0.21 -0.22 0.15 0.00 -0.02 0.00 0.00 41.12 41.24 2fn5 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fn5 n ALA 30 N -0.06 2.28 0.00 2.24 0.00 -1.04 -4.95 120.51 118.98 2fn5 n ALA 30 Ca 0.10 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2fn5 n ALA 30 Cb 0.46 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2fn5 n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fn5 n GLY 31 N 0.71 1.00 0.42 0.00 0.00 -1.18 -4.99 105.19 101.16 2fn5 n GLY 31 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 2fn5 n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fn5 n LEU 32 N 0.00 1.16 -2.86 0.99 4.32 -0.02 -5.07 117.00 115.51 2fn5 n LEU 32 Ca 0.00 0.18 -0.06 0.00 -0.02 0.00 0.00 56.01 56.11 2fn5 n LEU 32 Cb 0.00 -0.51 0.01 0.00 -1.62 0.00 0.00 43.42 41.30 2fn5 n LEU 32 CO 0.00 -0.47 -0.24 -0.62 -1.22 0.00 0.00 177.39 174.85 2fn5 n GLU 33 N -3.64 -2.70 -4.16 3.23 1.02 0.17 -4.97 120.64 109.59 2fn5 n GLU 33 Ca -0.06 2.28 -0.14 0.00 -0.02 0.00 0.00 57.16 59.22 2fn5 n GLU 33 Cb 0.23 -5.02 -0.07 0.00 -0.02 0.00 0.00 31.44 26.56 2fn5 n GLU 33 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2fn5 s LYS 34 N -2.09 1.58 0.50 3.49 -2.85 -1.26 -5.01 119.74 114.10 2fn5 s LYS 34 Ca 0.14 -1.70 -0.23 0.00 -1.00 0.00 0.00 55.97 53.18 2fn5 s LYS 34 Cb -0.03 0.36 -0.07 0.00 -2.06 0.00 0.00 37.83 36.02 2fn5 s LYS 34 CO 0.74 -0.60 1.18 1.47 0.10 0.00 0.00 175.35 178.24 2fn5 n LEU 35 N -0.45 4.14 -0.92 2.77 -0.00 -1.26 -4.50 117.00 116.79 2fn5 n LEU 35 Ca 0.03 0.99 0.08 0.00 -0.00 0.00 0.00 56.01 57.11 2fn5 n LEU 35 Cb 0.63 -1.47 0.26 0.00 -0.00 0.00 0.00 43.42 42.84 2fn5 n LEU 35 CO 0.30 -1.03 0.71 0.61 -0.00 0.00 0.00 177.39 177.98 2fn5 n GLY 36 N 0.96 3.88 3.51 1.47 0.00 -1.23 -4.42 105.19 109.36 2fn5 n GLY 36 Ca 0.10 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2fn5 n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fn5 s ILE 37 N -2.66 4.29 0.30 -0.61 -1.09 -1.25 -0.34 121.20 119.84 2fn5 s ILE 37 Ca 0.41 0.19 0.06 0.00 -2.23 0.00 0.00 60.65 59.09 2fn5 s ILE 37 Cb 0.33 -4.62 -0.02 0.00 -1.58 0.00 0.00 42.46 36.57 2fn5 s ILE 37 CO 0.10 -1.27 0.38 -0.36 -1.23 0.00 0.00 174.94 172.56 2fn5 s PHE 38 N 4.20 3.17 -0.29 3.97 0.08 -0.73 -2.80 117.98 125.57 2fn5 s PHE 38 Ca 0.30 -0.17 -0.29 0.00 0.12 0.00 0.00 56.93 56.89 2fn5 s PHE 38 Cb -0.13 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2fn5 s PHE 38 CO 0.17 0.19 1.21 0.08 -0.10 0.00 0.00 175.22 176.78 2fn5 s VAL 39 N -2.14 4.30 -0.01 -0.44 1.01 -0.57 -0.69 120.40 121.86 2fn5 s VAL 39 Ca 0.40 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.77 2fn5 s VAL 39 Cb -0.09 -4.23 -0.32 0.00 0.00 0.00 0.00 36.38 31.74 2fn5 s VAL 39 CO 0.29 -0.43 0.82 0.50 0.00 0.00 0.00 175.10 176.28 2fn5 h LYS 40 N 8.67 0.41 -2.99 2.72 1.63 -0.60 -3.43 116.57 122.98 2fn5 h LYS 40 Ca -0.24 -0.70 -0.04 0.00 -0.85 0.00 0.00 60.65 58.82 2fn5 h LYS 40 Cb 1.08 0.26 -0.14 0.00 -0.60 0.00 0.00 32.23 32.84 2fn5 h LYS 40 CO 1.02 1.32 0.10 0.99 -3.45 0.00 0.00 179.45 179.43 2fn5 s THR 41 N -2.59 0.02 -0.31 1.00 2.01 -0.83 -4.92 115.64 110.01 2fn5 s THR 41 Ca -0.12 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 2fn5 s THR 41 Cb 0.05 -1.04 0.11 0.00 0.01 0.00 0.00 72.50 71.64 2fn5 s THR 41 CO 0.88 -0.11 0.14 0.54 -0.69 0.00 0.00 174.62 175.38 2fn5 s VAL 42 N -3.32 0.27 0.31 3.82 0.11 -1.26 -0.77 120.40 119.55 2fn5 s VAL 42 Ca -0.01 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 2fn5 s VAL 42 Cb -0.00 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 2fn5 s VAL 42 CO -0.09 -0.77 0.00 1.07 -3.33 0.00 0.00 175.10 171.98 2fn5 n THR 43 N 4.86 -0.10 0.14 5.04 5.66 -1.02 -4.54 114.28 124.33 2fn5 n THR 43 Ca -0.01 0.35 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 2fn5 n THR 43 Cb 0.41 -0.65 0.18 0.00 -1.55 0.00 0.00 70.33 68.72 2fn5 n THR 43 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2fn5 h GLU 44 N -1.26 0.00 0.00 1.09 4.11 -1.85 -3.45 114.58 113.22 2fn5 h GLU 44 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2fn5 h GLU 44 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2fn5 h GLU 44 CO 0.03 0.59 0.00 0.41 0.07 0.00 0.00 179.01 180.11 2fn5 n GLY 45 N 0.39 0.00 0.00 1.06 0.00 -1.26 -5.07 105.19 100.30 2fn5 n GLY 45 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2fn5 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fn5 n GLY 46 N 0.00 0.98 0.02 -0.02 0.00 -1.26 -4.64 105.19 100.26 2fn5 n GLY 46 Ca 0.00 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.44 2fn5 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 n ALA 47 N -3.00 1.11 -0.06 4.61 0.00 -1.26 -1.60 120.51 120.32 2fn5 n ALA 47 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 2fn5 n ALA 47 Cb 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 2fn5 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fn5 h ALA 48 N 2.08 0.00 0.00 0.00 0.00 -1.89 -1.73 119.26 117.71 2fn5 h ALA 48 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2fn5 h ALA 48 Cb 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2fn5 h ALA 48 CO 0.00 0.03 -0.16 1.96 0.00 0.00 0.00 179.25 181.08 2fn5 h GLN 49 N -1.00 0.00 -0.25 0.00 4.20 -1.73 -2.17 115.11 114.16 2fn5 h GLN 49 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2fn5 h GLN 49 Cb 0.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2fn5 h GLN 49 CO -0.00 0.16 -0.22 0.00 -0.67 0.00 0.00 178.83 178.10 2fn5 h ARG 50 N 0.00 0.47 -0.01 1.46 2.47 -1.38 -3.02 114.38 114.37 2fn5 h ARG 50 Ca -0.00 -0.16 0.02 0.00 -1.26 0.00 0.00 59.98 58.58 2fn5 h ARG 50 Cb 0.29 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2fn5 h ARG 50 CO 0.02 0.66 -0.15 0.22 0.56 0.00 0.00 179.97 181.28 2fn5 h ASP 51 N 0.42 -0.43 0.00 7.04 3.58 -0.64 -3.47 116.42 122.93 2fn5 h ASP 51 Ca 0.07 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2fn5 h ASP 51 Cb 0.61 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2fn5 h ASP 51 CO 0.04 -0.20 0.00 0.61 -2.88 0.00 0.00 179.24 176.81 2fn5 n GLY 52 N -1.28 1.95 0.12 -0.78 0.00 -1.14 -4.82 105.19 99.24 2fn5 n GLY 52 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2fn5 n GLY 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2fn5 h ARG 53 N 2.71 0.23 -7.13 1.61 1.12 -1.90 -3.45 114.38 107.57 2fn5 h ARG 53 Ca 0.00 -0.40 -0.46 0.00 -1.11 0.00 0.00 59.98 58.01 2fn5 h ARG 53 Cb 0.00 0.15 0.01 0.00 -0.01 0.00 0.00 29.97 30.12 2fn5 h ARG 53 CO 0.00 1.19 0.36 -1.50 -3.11 0.00 0.00 179.97 176.91 2fn5 s ILE 54 N -2.48 4.28 0.22 1.20 2.07 -1.26 -5.07 121.20 120.16 2fn5 s ILE 54 Ca -0.20 1.26 -0.01 0.00 -1.41 0.00 0.00 60.65 60.29 2fn5 s ILE 54 Cb 0.05 -3.59 -0.04 0.00 0.13 0.00 0.00 42.46 39.01 2fn5 s ILE 54 CO 0.76 -0.46 0.17 -1.10 -1.91 0.00 0.00 174.94 172.39 2fn5 s GLN 55 N -3.61 1.28 0.07 3.50 -0.21 -1.26 -4.87 119.66 114.56 2fn5 s GLN 55 Ca 0.62 -1.65 0.27 0.00 0.02 0.00 0.00 55.36 54.61 2fn5 s GLN 55 Cb -0.11 0.29 0.85 0.00 1.00 0.00 0.00 33.01 35.04 2fn5 s GLN 55 CO 0.23 -0.43 1.70 1.55 -2.12 0.00 0.00 175.29 176.22 2fn5 n VAL 56 N -0.32 0.20 1.37 1.09 3.14 -1.26 -3.68 118.33 118.88 2fn5 n VAL 56 Ca 0.02 -0.11 0.11 0.00 -2.96 0.00 0.00 64.34 61.41 2fn5 n VAL 56 Cb 0.65 -0.32 0.44 0.00 -1.06 0.00 0.00 33.84 33.56 2fn5 n VAL 56 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2fn5 n ASN 57 N -1.78 1.44 -1.20 6.55 4.05 -1.26 -4.40 115.26 118.66 2fn5 n ASN 57 Ca 0.06 -1.62 0.00 0.00 0.45 0.00 0.00 54.58 53.47 2fn5 n ASN 57 Cb 0.38 -0.07 0.00 0.00 1.23 0.00 0.00 39.78 41.32 2fn5 n ASN 57 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2fn5 n ASP 58 N 0.16 0.96 -3.84 1.20 8.00 -1.24 -4.97 116.55 116.81 2fn5 n ASP 58 Ca 0.17 -0.60 -0.18 0.00 0.71 0.00 0.00 54.79 54.89 2fn5 n ASP 58 Cb 0.31 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.24 2fn5 n ASP 58 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2fn5 s GLN 59 N -0.38 0.51 -0.44 -1.24 0.74 -1.26 -1.51 119.66 116.08 2fn5 s GLN 59 Ca 0.00 0.01 -0.28 0.00 0.05 0.00 0.00 55.36 55.14 2fn5 s GLN 59 Cb 0.00 -0.64 0.00 0.00 1.10 0.00 0.00 33.01 33.48 2fn5 s GLN 59 CO 0.00 -0.12 1.50 0.42 -0.55 0.00 0.00 175.29 176.54 2fn5 s ILE 60 N 1.03 3.78 -0.23 -2.34 -1.09 -1.12 -3.48 121.20 117.75 2fn5 s ILE 60 Ca -0.10 0.75 -0.20 0.00 -2.23 0.00 0.00 60.65 58.88 2fn5 s ILE 60 Cb -0.14 -4.15 -0.17 0.00 -1.58 0.00 0.00 42.46 36.42 2fn5 s ILE 60 CO -0.01 -0.81 0.07 0.52 -1.23 0.00 0.00 174.94 173.48 2fn5 n VAL 61 N 7.10 1.54 -3.72 2.92 0.31 -1.16 -4.74 118.33 120.58 2fn5 n VAL 61 Ca 0.17 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 2fn5 n VAL 61 Cb 0.48 -2.00 -0.13 0.00 -0.91 0.00 0.00 33.84 31.28 2fn5 n VAL 61 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2fn5 s GLU 62 N -2.40 0.18 -0.14 5.55 2.12 -0.34 -0.93 118.70 122.74 2fn5 s GLU 62 Ca -0.31 0.55 0.01 0.00 0.36 0.00 0.00 54.97 55.58 2fn5 s GLU 62 Cb 0.08 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.35 2fn5 s GLU 62 CO 0.57 -0.19 -0.18 0.08 -0.54 0.00 0.00 175.26 174.99 2fn5 s VAL 63 N 1.49 2.43 0.00 3.70 1.01 -1.26 0.17 120.40 127.95 2fn5 s VAL 63 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2fn5 s VAL 63 Cb -0.11 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2fn5 s VAL 63 CO -0.08 0.53 0.00 -0.67 0.00 0.00 0.00 175.10 174.88 2fn5 n ASP 64 N 3.93 0.00 0.00 3.32 2.03 0.21 -0.64 116.55 125.41 2fn5 n ASP 64 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2fn5 n ASP 64 Cb 0.52 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2fn5 n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2fn5 n GLY 65 N -1.86 1.31 0.21 0.27 0.00 -1.26 -4.87 105.19 98.98 2fn5 n GLY 65 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2fn5 n GLY 65 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2fn5 h ILE 66 N 0.00 0.00 -5.86 -0.61 2.10 -1.24 -3.48 117.51 108.42 2fn5 h ILE 66 Ca 0.00 -0.64 -0.06 0.00 1.08 0.00 0.00 64.86 65.24 2fn5 h ILE 66 Cb 0.00 1.60 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 2fn5 h ILE 66 CO 0.00 0.00 -0.97 -1.20 -1.08 0.00 0.00 178.15 174.90 2fn5 n SER 67 N -2.83 -7.07 -1.35 2.19 7.64 -1.26 -4.91 113.62 106.02 2fn5 n SER 67 Ca 0.03 0.68 0.08 0.00 1.01 0.00 0.00 58.87 60.67 2fn5 n SER 67 Cb 0.40 -3.32 0.32 0.00 -1.01 0.00 0.00 64.21 60.59 2fn5 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fn5 n LEU 68 N 0.67 4.45 -4.54 -3.43 -0.00 -1.07 -4.84 117.00 108.22 2fn5 n LEU 68 Ca 0.00 -2.54 -0.19 0.00 -0.00 0.00 0.00 56.01 53.28 2fn5 n LEU 68 Cb 0.36 -0.53 -0.10 0.00 -0.00 0.00 0.00 43.42 43.14 2fn5 n LEU 68 CO 0.30 0.76 1.20 0.55 -0.00 0.00 0.00 177.39 180.20 2fn5 n VAL 69 N 0.68 0.52 0.00 1.47 3.14 -0.10 -2.19 118.33 121.85 2fn5 n VAL 69 Ca 0.23 -0.54 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 2fn5 n VAL 69 Cb 0.86 -2.05 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 2fn5 n VAL 69 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2fn5 n GLY 70 N 6.00 0.96 3.59 7.55 0.00 -1.26 -4.75 105.19 117.27 2fn5 n GLY 70 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 2fn5 n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fn5 s VAL 71 N -0.22 0.77 0.68 1.61 -7.23 -0.93 -4.97 120.40 110.11 2fn5 s VAL 71 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2fn5 s VAL 71 Cb 0.00 -2.30 0.10 0.00 0.56 0.00 0.00 36.38 34.74 2fn5 s VAL 71 CO 0.00 0.00 0.95 0.42 -0.31 0.00 0.00 175.10 176.16 2fn5 s THR 72 N -3.11 2.30 0.30 5.32 -4.23 -1.26 -4.68 115.64 110.28 2fn5 s THR 72 Ca 0.19 -0.55 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 2fn5 s THR 72 Cb 0.02 -2.74 0.12 0.00 1.34 0.00 0.00 72.50 71.24 2fn5 s THR 72 CO 0.11 0.00 1.80 0.06 -0.54 0.00 0.00 174.62 176.05 2fn5 h GLN 73 N -0.41 0.60 -0.04 3.99 -0.00 -1.92 -1.36 115.11 115.97 2fn5 h GLN 73 Ca -0.39 -0.16 -0.12 0.00 -0.00 0.00 0.00 58.65 57.98 2fn5 h GLN 73 Cb 1.28 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 28.68 2fn5 h GLN 73 CO 0.46 0.67 -0.51 -2.95 -0.00 0.00 0.00 178.83 176.50 2fn5 h ASN 74 N 0.56 0.11 0.18 0.06 7.08 -1.98 0.13 115.58 121.73 2fn5 h ASN 74 Ca 0.11 -0.06 -0.01 0.00 -3.08 0.00 0.00 56.30 53.26 2fn5 h ASN 74 Cb 0.46 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.67 2fn5 h ASN 74 CO 0.02 0.61 -0.09 0.15 -2.08 0.00 0.00 177.43 176.04 2fn5 h PHE 75 N 0.08 -0.23 -0.28 4.14 3.04 -1.82 -2.96 116.94 118.91 2fn5 h PHE 75 Ca 0.00 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.98 2fn5 h PHE 75 Cb 0.93 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.49 2fn5 h PHE 75 CO 0.01 0.19 0.09 0.00 -2.02 0.00 0.00 178.31 176.58 2fn5 h ALA 76 N -0.24 0.31 0.00 2.41 0.00 -1.11 -1.47 119.26 119.15 2fn5 h ALA 76 Ca -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2fn5 h ALA 76 Cb 0.52 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2fn5 h ALA 76 CO 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 179.25 178.97 2fn5 h ALA 77 N 1.18 1.57 0.01 0.00 0.00 -0.84 -0.23 119.26 120.96 2fn5 h ALA 77 Ca 0.13 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2fn5 h ALA 77 Cb 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2fn5 h ALA 77 CO -0.14 0.00 -0.63 1.15 0.00 0.00 0.00 179.25 179.63 2fn5 h THR 78 N 0.00 1.43 0.16 0.00 2.02 -1.12 -2.96 112.91 112.45 2fn5 h THR 78 Ca -0.00 -2.12 -0.01 0.00 0.77 0.00 0.00 66.41 65.05 2fn5 h THR 78 Cb 0.00 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2fn5 h THR 78 CO 0.00 0.62 -0.08 0.58 0.37 0.00 0.00 175.52 177.01 2fn5 h VAL 79 N -0.11 0.88 0.00 3.16 2.07 -0.34 -0.96 116.25 120.94 2fn5 h VAL 79 Ca -0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2fn5 h VAL 79 Cb 1.35 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2fn5 h VAL 79 CO 0.12 0.04 0.00 0.18 0.02 0.00 0.00 177.57 177.94 2fn5 n LEU 80 N -5.14 0.00 -0.07 2.57 7.99 -0.24 -1.38 117.00 120.71 2fn5 n LEU 80 Ca -0.09 0.19 -0.20 0.00 -0.01 0.00 0.00 56.01 55.90 2fn5 n LEU 80 Cb 0.14 -0.19 -0.13 0.00 -0.11 0.00 0.00 43.42 43.14 2fn5 n LEU 80 CO 0.34 -0.11 -1.10 -1.14 -1.51 0.00 0.00 177.39 173.86 2fn5 n ARG 81 N -1.19 0.69 -0.14 3.23 0.63 -0.88 -4.51 116.66 114.50 2fn5 n ARG 81 Ca 0.07 0.22 0.07 0.00 -0.92 0.00 0.00 57.85 57.29 2fn5 n ARG 81 Cb 0.08 -1.60 0.23 0.00 0.45 0.00 0.00 32.46 31.62 2fn5 n ARG 81 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2fn5 n ASN 82 N -3.44 1.71 -4.81 6.15 3.02 -0.42 -4.90 115.26 112.58 2fn5 n ASN 82 Ca -0.40 -1.89 -0.33 0.00 -0.03 0.00 0.00 54.58 51.93 2fn5 n ASN 82 Cb 1.00 -0.18 -0.00 0.00 -0.61 0.00 0.00 39.78 39.98 2fn5 n ASN 82 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2fn5 s THR 83 N -1.64 4.01 0.02 3.41 -4.23 -0.94 -5.05 115.64 111.22 2fn5 s THR 83 Ca 0.26 0.97 0.00 0.00 -1.18 0.00 0.00 61.69 61.74 2fn5 s THR 83 Cb 0.14 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.50 2fn5 s THR 83 CO 0.19 -0.54 0.01 2.29 -0.54 0.00 0.00 174.62 176.03 2fn5 n LYS 84 N -1.85 1.53 0.06 3.99 -0.00 -1.26 -4.86 118.16 115.77 2fn5 n LYS 84 Ca 0.08 -0.14 -0.12 0.00 -0.00 0.00 0.00 58.31 58.14 2fn5 n LYS 84 Cb 0.53 0.02 -0.07 0.00 -0.00 0.00 0.00 35.03 35.51 2fn5 n LYS 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2fn5 h GLY 85 N 0.03 -1.20 -7.08 2.58 0.00 -1.85 -3.37 103.07 92.17 2fn5 h GLY 85 Ca -0.01 0.63 -0.56 0.00 0.00 0.00 0.00 47.33 47.39 2fn5 h GLY 85 CO 0.02 -0.32 0.90 -1.31 0.00 0.00 0.00 176.54 175.83 2fn5 s ASN 86 N -4.07 6.36 -0.14 0.19 -0.87 -1.25 -0.42 114.94 114.73 2fn5 s ASN 86 Ca -0.12 -0.13 -0.01 0.00 -1.57 0.00 0.00 52.86 51.04 2fn5 s ASN 86 Cb 0.05 -2.53 -0.01 0.00 -0.02 0.00 0.00 41.25 38.73 2fn5 s ASN 86 CO 0.43 -1.51 -0.12 -0.69 -2.57 0.00 0.00 177.10 172.65 2fn5 s VAL 87 N 4.89 3.10 -0.53 1.60 1.01 0.10 -4.91 120.40 125.67 2fn5 s VAL 87 Ca 0.38 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 2fn5 s VAL 87 Cb -0.09 -2.32 0.07 0.00 0.00 0.00 0.00 36.38 34.04 2fn5 s VAL 87 CO 0.22 0.51 0.65 -0.13 0.00 0.00 0.00 175.10 176.35 2fn5 s ARG 88 N 0.48 3.11 -0.58 2.72 3.00 -1.26 0.11 118.95 126.53 2fn5 s ARG 88 Ca -0.09 -0.97 -0.19 0.00 0.00 0.00 0.00 55.73 54.48 2fn5 s ARG 88 Cb -0.16 -4.14 0.10 0.00 0.00 0.00 0.00 34.95 30.76 2fn5 s ARG 88 CO 0.04 -1.30 0.69 -0.06 0.00 0.00 0.00 175.30 174.67 2fn5 s PHE 89 N 2.68 3.01 -1.07 -0.53 0.08 0.11 -0.62 117.98 121.64 2fn5 s PHE 89 Ca 0.15 -0.92 -0.14 0.00 0.12 0.00 0.00 56.93 56.14 2fn5 s PHE 89 Cb -0.20 -3.95 0.19 0.00 -0.57 0.00 0.00 43.02 38.49 2fn5 s PHE 89 CO 0.11 -1.26 1.19 0.08 -0.10 0.00 0.00 175.22 175.24 2fn5 s VAL 90 N 2.66 5.29 0.26 -0.44 1.01 0.13 0.15 120.40 129.44 2fn5 s VAL 90 Ca 0.12 -2.57 0.02 0.00 0.00 0.00 0.00 61.98 59.55 2fn5 s VAL 90 Cb -0.24 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.36 2fn5 s VAL 90 CO 0.07 -1.41 0.42 -0.63 0.00 0.00 0.00 175.10 173.55 2fn5 s ILE 91 N 0.93 5.21 0.04 2.22 1.01 -0.38 -1.20 121.20 129.04 2fn5 s ILE 91 Ca 0.34 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2fn5 s ILE 91 Cb -0.06 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2fn5 s ILE 91 CO -0.05 -0.34 -0.11 -0.83 0.00 0.00 0.00 174.94 173.61 2fn5 s GLY 92 N -3.75 0.63 -0.21 6.18 0.00 -1.23 0.48 107.32 109.42 2fn5 s GLY 92 Ca 0.37 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 44.30 2fn5 s GLY 92 CO 0.31 -0.79 -0.11 -1.60 0.00 0.00 0.00 173.10 170.91 2fn5 s ARG 93 N -1.34 3.13 0.00 2.90 6.06 -0.06 -4.00 118.95 125.63 2fn5 s ARG 93 Ca -0.04 -0.77 0.15 0.00 -2.50 0.00 0.00 55.73 52.57 2fn5 s ARG 93 Cb -0.09 -2.83 0.12 0.00 0.06 0.00 0.00 34.95 32.21 2fn5 s ARG 93 CO 0.01 -0.24 0.97 -0.85 -2.50 0.00 0.00 175.30 172.69