#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fn5 s HIS 2 N 0.00 3.06 -0.39 1.61 5.65 -1.26 -5.01 115.29 118.95 2fn5 s HIS 2 Ca 0.00 0.20 -0.26 0.00 0.25 0.00 0.00 55.06 55.25 2fn5 s HIS 2 Cb 0.00 -3.46 0.02 0.00 -1.18 0.00 0.00 32.58 27.96 2fn5 s HIS 2 CO 0.00 -0.86 0.95 1.41 -0.65 0.00 0.00 174.74 175.60 2fn5 s MET 3 N 3.05 3.80 -0.41 2.88 0.00 -1.26 -4.84 119.30 122.52 2fn5 s MET 3 Ca 0.27 0.55 -0.20 0.00 0.00 0.00 0.00 55.69 56.32 2fn5 s MET 3 Cb -0.13 -3.82 0.02 0.00 0.00 0.00 0.00 34.83 30.89 2fn5 s MET 3 CO 0.20 -1.02 0.60 -2.00 0.00 0.00 0.00 175.02 172.79 2fn5 s GLU 4 N 3.61 3.37 -0.15 4.11 2.12 -1.20 -4.85 118.70 125.70 2fn5 s GLU 4 Ca 0.39 -0.32 -0.23 0.00 0.36 0.00 0.00 54.97 55.17 2fn5 s GLU 4 Cb -0.11 -3.91 -0.03 0.00 0.26 0.00 0.00 34.13 30.34 2fn5 s GLU 4 CO 0.21 -0.89 0.69 -0.51 -0.54 0.00 0.00 175.26 174.22 2fn5 s LEU 5 N 2.65 4.21 0.01 2.70 2.01 -1.26 -0.98 118.68 128.02 2fn5 s LEU 5 Ca 0.21 1.03 -0.01 0.00 0.01 0.00 0.00 54.13 55.37 2fn5 s LEU 5 Cb -0.15 -3.03 -0.01 0.00 0.01 0.00 0.00 46.19 43.02 2fn5 s LEU 5 CO 0.17 -0.24 0.00 0.72 1.01 0.00 0.00 176.35 178.00 2fn5 s PHE 6 N 1.58 0.13 -0.12 0.29 -0.12 0.10 -4.95 117.98 114.88 2fn5 s PHE 6 Ca 0.34 -0.26 -0.27 0.00 -0.05 0.00 0.00 56.93 56.69 2fn5 s PHE 6 Cb -0.17 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 2fn5 s PHE 6 CO 0.13 -0.12 0.90 -1.25 -0.05 0.00 0.00 175.22 174.83 2fn5 s PRO 7 N -0.82 4.38 -0.40 1.99 0.04 -1.26 -1.56 135.00 137.37 2fn5 s PRO 7 Ca -0.09 1.17 -0.05 0.00 0.04 0.00 0.00 61.00 62.08 2fn5 s PRO 7 Cb -0.06 -3.54 0.09 0.00 0.04 0.00 0.00 34.50 31.04 2fn5 s PRO 7 CO -0.00 -0.26 0.20 0.08 0.04 0.00 0.00 177.00 177.06 2fn5 s VAL 8 N 1.87 3.57 -0.50 -0.36 1.01 0.18 -4.92 120.40 121.24 2fn5 s VAL 8 Ca 0.43 -1.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.38 2fn5 s VAL 8 Cb -0.18 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.93 2fn5 s VAL 8 CO 0.16 -0.56 1.06 -0.70 0.00 0.00 0.00 175.10 175.06 2fn5 s GLU 9 N 1.25 3.58 -0.13 2.72 2.12 -1.25 -0.33 118.70 126.66 2fn5 s GLU 9 Ca 0.05 0.29 -0.05 0.00 0.36 0.00 0.00 54.97 55.61 2fn5 s GLU 9 Cb -0.23 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 2fn5 s GLU 9 CO -0.02 -1.41 0.06 -1.17 -0.54 0.00 0.00 175.26 172.19 2fn5 s LEU 10 N 4.29 3.89 -0.53 2.70 1.98 0.66 -4.89 118.68 126.78 2fn5 s LEU 10 Ca 0.42 0.21 -0.09 0.00 -2.89 0.00 0.00 54.13 51.78 2fn5 s LEU 10 Cb -0.09 -1.94 0.14 0.00 0.66 0.00 0.00 46.19 44.96 2fn5 s LEU 10 CO 0.28 0.31 0.40 -0.70 -1.89 0.00 0.00 176.35 174.74 2fn5 s GLU 11 N -0.42 2.59 0.81 1.98 2.12 -1.25 -0.19 118.70 124.34 2fn5 s GLU 11 Ca 0.10 -1.94 -0.10 0.00 0.36 0.00 0.00 54.97 53.39 2fn5 s GLU 11 Cb -0.12 -3.95 0.12 0.00 0.26 0.00 0.00 34.13 30.44 2fn5 s GLU 11 CO 0.02 -1.20 1.14 0.15 -0.54 0.00 0.00 175.26 174.83 2fn5 s LYS 12 N 1.05 1.57 0.70 4.30 -0.14 0.17 -4.85 119.74 122.54 2fn5 s LYS 12 Ca 0.08 -0.37 -0.04 0.00 -1.36 0.00 0.00 55.97 54.28 2fn5 s LYS 12 Cb -0.24 -2.05 0.09 0.00 -1.68 0.00 0.00 37.83 33.95 2fn5 s LYS 12 CO -0.02 -1.72 0.99 0.16 -0.76 0.00 0.00 175.35 174.00 2fn5 s ASP 13 N -4.68 4.63 0.00 2.83 -4.77 -1.26 -4.40 116.67 109.02 2fn5 s ASP 13 Ca 0.66 0.13 0.11 0.00 -3.30 0.00 0.00 52.55 50.16 2fn5 s ASP 13 Cb -0.08 -0.71 0.50 0.00 -1.09 0.00 0.00 42.92 41.54 2fn5 s ASP 13 CO 0.48 -1.68 1.35 -1.84 0.70 0.00 0.00 175.17 174.18 2fn5 n GLU 14 N -2.86 0.03 0.07 2.11 0.28 -1.26 -1.23 120.64 117.77 2fn5 n GLU 14 Ca 0.10 0.28 -0.08 0.00 -0.16 0.00 0.00 57.16 57.31 2fn5 n GLU 14 Cb 0.60 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 32.02 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 0.39 0.00 -1.84 3.58 -2.01 -3.50 116.42 113.04 2fn5 h ASP 15 Ca 0.00 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2fn5 h ASP 15 Cb 0.18 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2fn5 h ASP 15 CO 0.00 0.98 0.00 0.61 -2.88 0.00 0.00 179.24 177.95 2fn5 n GLY 16 N 0.53 0.10 0.14 -0.78 0.00 -0.37 -4.68 105.19 100.14 2fn5 n GLY 16 Ca -0.04 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 2fn5 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fn5 n LEU 17 N 0.00 2.07 -0.80 0.99 4.77 -1.26 -4.04 117.00 118.73 2fn5 n LEU 17 Ca 0.00 0.29 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 2fn5 n LEU 17 Cb 0.00 -0.84 -0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2fn5 n LEU 17 CO 0.00 0.61 -0.07 0.61 -1.33 0.00 0.00 177.39 177.21 2fn5 n GLY 18 N 1.36 0.15 3.89 -0.72 0.00 -1.26 -4.33 105.19 104.27 2fn5 n GLY 18 Ca -0.53 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.40 1.62 0.03 -0.61 -4.36 -1.26 -1.41 121.20 112.82 2fn5 s ILE 19 Ca 0.02 -1.54 -0.01 0.00 -0.26 0.00 0.00 60.65 58.86 2fn5 s ILE 19 Cb -0.01 -2.16 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 2fn5 s ILE 19 CO 0.02 0.00 -0.03 -0.44 0.24 0.00 0.00 174.94 174.74 2fn5 s SER 20 N -4.24 0.35 0.30 4.36 0.01 0.44 -4.93 113.70 109.99 2fn5 s SER 20 Ca 0.31 -0.73 0.06 0.00 1.31 0.00 0.00 55.95 56.91 2fn5 s SER 20 Cb -0.02 0.15 -0.06 0.00 0.21 0.00 0.00 66.02 66.30 2fn5 s SER 20 CO 0.19 -0.44 -0.02 0.27 0.41 0.00 0.00 173.24 173.65 2fn5 s ILE 21 N -2.60 1.55 -0.01 1.44 -5.25 -1.26 -0.11 121.20 114.95 2fn5 s ILE 21 Ca -0.05 -2.08 -0.00 0.00 -0.99 0.00 0.00 60.65 57.52 2fn5 s ILE 21 Cb -0.02 -2.59 0.02 0.00 2.95 0.00 0.00 42.46 42.82 2fn5 s ILE 21 CO -0.05 -0.20 0.02 -0.51 -1.79 0.00 0.00 174.94 172.42 2fn5 s ILE 22 N -3.06 -0.03 -0.48 8.37 2.07 0.88 -4.45 121.20 124.50 2fn5 s ILE 22 Ca 0.32 0.12 -0.20 0.00 -1.41 0.00 0.00 60.65 59.48 2fn5 s ILE 22 Cb 0.06 -0.06 0.04 0.00 0.13 0.00 0.00 42.46 42.63 2fn5 s ILE 22 CO 0.13 0.05 0.64 -0.83 -1.91 0.00 0.00 174.94 173.02 2fn5 s GLY 23 N 0.59 1.73 -0.37 1.50 0.00 -1.26 -0.85 107.32 108.67 2fn5 s GLY 23 Ca -0.05 -1.49 0.03 0.00 0.00 0.00 0.00 44.72 43.21 2fn5 s GLY 23 CO -0.02 1.51 0.10 1.06 0.00 0.00 0.00 173.10 175.76 2fn5 s MET 24 N 2.76 1.42 -0.53 2.90 -1.94 0.13 -4.95 119.30 119.07 2fn5 s MET 24 Ca 0.19 -1.87 -0.27 0.00 -1.71 0.00 0.00 55.69 52.04 2fn5 s MET 24 Cb -0.17 -2.97 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 2fn5 s MET 24 CO 0.15 -0.99 2.07 0.20 -0.01 0.00 0.00 175.02 176.44 2fn5 s GLY 25 N 0.81 0.02 -0.20 -0.03 0.00 -1.26 -3.86 107.32 102.80 2fn5 s GLY 25 Ca 0.12 -0.29 0.12 0.00 0.00 0.00 0.00 44.72 44.67 2fn5 s GLY 25 CO -0.09 3.69 1.21 1.55 0.00 0.00 0.00 173.10 179.46 2fn5 n VAL 26 N 7.53 2.09 0.15 1.40 3.14 -1.26 -4.80 118.33 126.58 2fn5 n VAL 26 Ca 0.27 -3.08 0.11 0.00 -2.96 0.00 0.00 64.34 58.68 2fn5 n VAL 26 Cb 0.52 -0.19 -0.02 0.00 -1.06 0.00 0.00 33.84 33.09 2fn5 n VAL 26 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2fn5 n GLY 27 N -1.07 -1.35 0.62 7.55 0.00 -1.21 -3.19 105.19 106.53 2fn5 n GLY 27 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2fn5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 n ALA 28 N -2.15 2.40 0.17 4.61 0.00 -1.26 -3.43 120.51 120.85 2fn5 n ALA 28 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2fn5 n ALA 28 Cb 0.54 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.51 2fn5 n ALA 28 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2fn5 h ASP 29 N 0.00 0.14 0.20 0.00 3.58 -1.93 -1.72 116.42 116.69 2fn5 h ASP 29 Ca 0.00 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2fn5 h ASP 29 Cb 0.00 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 2fn5 h ASP 29 CO 0.00 0.18 -0.10 0.00 -2.88 0.00 0.00 179.24 176.44 2fn5 h ALA 30 N 1.84 1.50 0.00 -0.78 0.00 -1.90 -3.46 119.26 116.45 2fn5 h ALA 30 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fn5 h ALA 30 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2fn5 h ALA 30 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 2fn5 n GLY 31 N -0.99 0.92 0.13 0.00 0.00 -0.65 -4.90 105.19 99.70 2fn5 n GLY 31 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2fn5 n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fn5 h LEU 32 N 0.00 0.54 -2.72 0.99 4.07 -1.80 -3.50 115.31 112.90 2fn5 h LEU 32 Ca 0.00 -0.75 -0.13 0.00 0.08 0.00 0.00 57.88 57.08 2fn5 h LEU 32 Cb 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.57 2fn5 h LEU 32 CO 0.00 1.63 -0.60 -0.62 -1.08 0.00 0.00 178.44 177.77 2fn5 n GLU 33 N -3.54 -1.97 -3.78 1.13 1.02 -1.19 -5.03 120.64 107.28 2fn5 n GLU 33 Ca -0.20 1.70 -0.07 0.00 -0.02 0.00 0.00 57.16 58.57 2fn5 n GLU 33 Cb 1.06 -4.60 -0.02 0.00 -0.02 0.00 0.00 31.44 27.87 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 -2.90 1.55 0.65 3.49 -2.85 -1.25 -5.00 119.74 113.43 2fn5 s LYS 34 Ca 0.20 -0.83 -0.18 0.00 -1.00 0.00 0.00 55.97 54.16 2fn5 s LYS 34 Cb -0.04 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 2fn5 s LYS 34 CO 0.80 -0.71 1.26 1.47 0.10 0.00 0.00 175.35 178.27 2fn5 n LEU 35 N -0.45 5.75 -1.31 2.77 -0.00 -1.26 -3.34 117.00 119.16 2fn5 n LEU 35 Ca -0.06 0.81 -0.09 0.00 -0.00 0.00 0.00 56.01 56.68 2fn5 n LEU 35 Cb 0.60 -1.54 0.15 0.00 -0.00 0.00 0.00 43.42 42.64 2fn5 n LEU 35 CO 0.14 -1.12 0.56 0.61 -0.00 0.00 0.00 177.39 177.58 2fn5 n GLY 36 N 0.94 5.36 3.42 1.47 0.00 -1.25 -4.78 105.19 110.35 2fn5 n GLY 36 Ca 0.16 -1.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.65 4.58 0.42 -0.61 -1.09 -1.26 0.18 121.20 119.77 2fn5 s ILE 37 Ca 0.46 -0.78 -0.00 0.00 -2.23 0.00 0.00 60.65 58.10 2fn5 s ILE 37 Cb 0.41 -4.62 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 2fn5 s ILE 37 CO -0.01 -1.33 0.64 -0.36 -1.23 0.00 0.00 174.94 172.65 2fn5 s PHE 38 N 3.31 3.35 -0.07 3.97 0.08 -0.03 -1.86 117.98 126.74 2fn5 s PHE 38 Ca 0.19 0.33 -0.30 0.00 0.12 0.00 0.00 56.93 57.27 2fn5 s PHE 38 Cb -0.18 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 2fn5 s PHE 38 CO 0.06 -0.18 1.02 0.08 -0.10 0.00 0.00 175.22 176.10 2fn5 s VAL 39 N -2.49 4.74 -0.20 -0.44 1.01 -0.47 -0.08 120.40 122.47 2fn5 s VAL 39 Ca 0.45 1.99 -0.22 0.00 0.00 0.00 0.00 61.98 64.21 2fn5 s VAL 39 Cb -0.10 -4.28 -0.19 0.00 0.00 0.00 0.00 36.38 31.81 2fn5 s VAL 39 CO 0.38 0.05 0.26 0.50 0.00 0.00 0.00 175.10 176.29 2fn5 h LYS 40 N 7.03 0.00 -3.61 2.72 1.63 -0.73 -3.43 116.57 120.18 2fn5 h LYS 40 Ca -0.34 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.39 2fn5 h LYS 40 Cb 1.17 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.68 2fn5 h LYS 40 CO 0.83 0.96 -0.19 0.99 -3.45 0.00 0.00 179.45 178.59 2fn5 s THR 41 N -2.34 0.07 0.18 1.00 2.01 -1.00 -4.95 115.64 110.62 2fn5 s THR 41 Ca -0.27 -0.99 0.07 0.00 0.31 0.00 0.00 61.69 60.81 2fn5 s THR 41 Cb 0.05 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 2fn5 s THR 41 CO 0.58 -0.34 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.35 2fn5 s VAL 42 N -3.88 1.57 0.99 3.82 1.01 -1.26 -0.42 120.40 122.23 2fn5 s VAL 42 Ca 0.09 -2.14 -0.12 0.00 0.00 0.00 0.00 61.98 59.81 2fn5 s VAL 42 Cb 0.02 -1.96 0.14 0.00 0.00 0.00 0.00 36.38 34.59 2fn5 s VAL 42 CO -0.06 -0.62 0.83 1.07 0.00 0.00 0.00 175.10 176.32 2fn5 n THR 43 N -0.26 0.00 -0.15 3.92 5.66 -0.50 -4.86 114.28 118.09 2fn5 n THR 43 Ca -0.09 -0.16 0.13 0.00 -3.05 0.00 0.00 64.05 60.88 2fn5 n THR 43 Cb 0.60 -0.86 0.47 0.00 -1.55 0.00 0.00 70.33 68.98 2fn5 n THR 43 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2fn5 h GLU 44 N -1.98 0.48 0.00 1.09 4.81 -1.94 -3.43 114.58 113.61 2fn5 h GLU 44 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2fn5 h GLU 44 Cb 1.29 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2fn5 h GLU 44 CO 0.40 0.31 0.00 0.41 -0.73 0.00 0.00 179.01 179.41 2fn5 n GLY 45 N -1.50 -1.56 7.00 1.92 0.00 -1.26 -4.88 105.19 104.91 2fn5 n GLY 45 Ca 0.13 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.43 0.71 0.00 -0.02 0.00 -1.26 -0.45 105.19 102.74 2fn5 n GLY 46 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 7.58 0.31 -0.08 4.61 0.00 -1.26 -4.69 120.51 126.97 2fn5 n ALA 47 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 2fn5 n ALA 47 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 0.10 0.00 0.00 0.00 -1.12 -2.10 119.26 116.15 2fn5 h ALA 48 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.16 2fn5 h ALA 48 Cb 0.63 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2fn5 h ALA 48 CO 0.00 0.46 -0.19 1.96 0.00 0.00 0.00 179.25 181.48 2fn5 h GLN 49 N -1.00 0.00 0.00 0.00 4.20 -1.25 -1.63 115.11 115.43 2fn5 h GLN 49 Ca -0.13 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 2fn5 h GLN 49 Cb 0.80 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 2fn5 h GLN 49 CO -0.08 0.19 -0.16 0.00 -0.67 0.00 0.00 178.83 178.11 2fn5 h ARG 50 N 0.00 0.00 0.22 1.46 2.47 -1.67 -3.00 114.38 113.87 2fn5 h ARG 50 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2fn5 h ARG 50 Cb 0.97 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 2fn5 h ARG 50 CO 0.02 0.16 -0.11 0.22 0.56 0.00 0.00 179.97 180.83 2fn5 h ASP 51 N 0.00 -0.25 0.00 7.04 3.58 -0.62 -3.48 116.42 122.69 2fn5 h ASP 51 Ca -0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2fn5 h ASP 51 Cb 0.57 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2fn5 h ASP 51 CO 0.02 -0.04 0.00 0.61 -2.88 0.00 0.00 179.24 176.95 2fn5 n GLY 52 N 0.50 1.48 0.09 -0.78 0.00 -0.69 -4.82 105.19 100.96 2fn5 n GLY 52 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 3.12 0.11 -6.10 1.61 1.12 -1.90 -3.43 114.38 108.92 2fn5 h ARG 53 Ca 0.00 -0.19 -0.59 0.00 -1.11 0.00 0.00 59.98 58.08 2fn5 h ARG 53 Cb 0.00 0.07 -0.05 0.00 -0.01 0.00 0.00 29.97 29.98 2fn5 h ARG 53 CO 0.00 0.89 -0.22 -1.50 -3.11 0.00 0.00 179.97 176.03 2fn5 s ILE 54 N -2.63 5.05 0.33 1.20 2.07 -1.26 -5.10 121.20 120.85 2fn5 s ILE 54 Ca -0.06 0.61 0.06 0.00 -1.41 0.00 0.00 60.65 59.85 2fn5 s ILE 54 Cb 0.08 -3.67 -0.03 0.00 0.13 0.00 0.00 42.46 38.96 2fn5 s ILE 54 CO 0.83 0.38 0.25 -1.10 -1.91 0.00 0.00 174.94 173.39 2fn5 s GLN 55 N -1.65 1.73 0.16 3.50 -0.21 -1.26 -4.75 119.66 117.18 2fn5 s GLN 55 Ca 0.30 -2.00 0.25 0.00 0.02 0.00 0.00 55.36 53.93 2fn5 s GLN 55 Cb -0.15 0.23 0.54 0.00 1.00 0.00 0.00 33.01 34.64 2fn5 s GLN 55 CO 0.17 -0.61 1.52 1.55 -2.12 0.00 0.00 175.29 175.79 2fn5 n VAL 56 N -0.62 0.48 0.83 1.09 3.14 -1.26 -3.38 118.33 118.60 2fn5 n VAL 56 Ca 0.06 -0.29 0.08 0.00 -2.96 0.00 0.00 64.34 61.23 2fn5 n VAL 56 Cb 0.63 -0.34 0.25 0.00 -1.06 0.00 0.00 33.84 33.32 2fn5 n VAL 56 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2fn5 n ASN 57 N -2.20 2.13 -3.30 6.55 0.23 -1.26 -4.18 115.26 113.23 2fn5 n ASN 57 Ca 0.04 -1.91 -0.14 0.00 -0.53 0.00 0.00 54.58 52.05 2fn5 n ASN 57 Cb 0.44 -0.22 0.08 0.00 -2.08 0.00 0.00 39.78 38.00 2fn5 n ASN 57 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2fn5 n ASP 58 N 0.64 0.53 -3.75 0.53 9.92 -1.22 -4.90 116.55 118.31 2fn5 n ASP 58 Ca 0.15 -1.52 -0.15 0.00 -0.53 0.00 0.00 54.79 52.75 2fn5 n ASP 58 Cb 0.36 -0.42 -0.15 0.00 -0.64 0.00 0.00 41.12 40.26 2fn5 n ASP 58 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2fn5 s GLN 59 N -4.12 0.01 -0.57 -1.24 0.74 -1.26 -1.37 119.66 111.85 2fn5 s GLN 59 Ca 0.38 0.29 -0.28 0.00 0.05 0.00 0.00 55.36 55.80 2fn5 s GLN 59 Cb -0.02 -0.24 0.02 0.00 1.10 0.00 0.00 33.01 33.87 2fn5 s GLN 59 CO 0.26 -0.18 1.36 0.42 -0.55 0.00 0.00 175.29 176.60 2fn5 s ILE 60 N 1.22 3.84 -0.16 -2.34 -1.09 -0.78 -4.15 121.20 117.74 2fn5 s ILE 60 Ca -0.08 0.72 -0.24 0.00 -2.23 0.00 0.00 60.65 58.83 2fn5 s ILE 60 Cb -0.12 -4.51 -0.23 0.00 -1.58 0.00 0.00 42.46 36.01 2fn5 s ILE 60 CO -0.04 -1.22 0.50 0.58 -1.23 0.00 0.00 174.94 173.54 2fn5 h VAL 61 N 6.32 1.30 -2.74 2.92 2.07 -1.82 -3.44 116.25 120.86 2fn5 h VAL 61 Ca -0.26 -2.29 -0.13 0.00 0.82 0.00 0.00 66.70 64.84 2fn5 h VAL 61 Cb 1.08 2.79 -0.26 0.00 -1.52 0.00 0.00 31.29 33.39 2fn5 h VAL 61 CO 1.18 0.50 -0.29 -0.70 0.02 0.00 0.00 177.57 178.28 2fn5 s GLU 62 N -2.32 0.41 -0.10 1.57 2.12 -0.35 -3.53 118.70 116.50 2fn5 s GLU 62 Ca -0.23 0.65 0.03 0.00 0.36 0.00 0.00 54.97 55.78 2fn5 s GLU 62 Cb 0.02 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.51 2fn5 s GLU 62 CO 0.66 -0.11 -0.21 0.08 -0.54 0.00 0.00 175.26 175.14 2fn5 s VAL 63 N 0.78 1.90 0.00 3.70 1.01 -1.26 0.38 120.40 126.91 2fn5 s VAL 63 Ca -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2fn5 s VAL 63 Cb -0.06 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2fn5 s VAL 63 CO -0.06 0.52 0.00 -0.67 0.00 0.00 0.00 175.10 174.90 2fn5 n ASP 64 N 3.71 0.00 0.00 3.32 2.03 0.09 -0.77 116.55 124.94 2fn5 n ASP 64 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 2fn5 n ASP 64 Cb 0.52 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 -1.93 1.04 0.25 0.27 0.00 -1.26 -4.96 105.19 98.60 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 0.15 -5.83 -0.61 2.10 -1.32 -3.48 117.51 108.51 2fn5 h ILE 66 Ca 0.00 -0.79 -0.04 0.00 1.08 0.00 0.00 64.86 65.11 2fn5 h ILE 66 Cb 0.00 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 2fn5 h ILE 66 CO 0.00 0.06 -0.98 -1.54 -1.08 0.00 0.00 178.15 174.61 2fn5 n SER 67 N -3.16 -7.14 -1.78 2.19 3.41 -1.26 -4.90 113.62 100.98 2fn5 n SER 67 Ca 0.01 0.76 0.06 0.00 -0.26 0.00 0.00 58.87 59.44 2fn5 n SER 67 Cb 0.39 -3.33 0.37 0.00 -0.26 0.00 0.00 64.21 61.37 2fn5 n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fn5 n LEU 68 N 0.80 5.35 -4.55 1.04 -0.00 -1.24 -4.88 117.00 113.52 2fn5 n LEU 68 Ca 0.00 -2.72 -0.24 0.00 -0.00 0.00 0.00 56.01 53.06 2fn5 n LEU 68 Cb 0.33 -0.67 -0.07 0.00 -0.00 0.00 0.00 43.42 43.00 2fn5 n LEU 68 CO 0.26 0.60 1.63 0.52 -0.00 0.00 0.00 177.39 180.40 2fn5 n VAL 69 N 0.55 -0.03 0.00 1.47 0.31 -1.23 -1.71 118.33 117.69 2fn5 n VAL 69 Ca 0.26 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 2fn5 n VAL 69 Cb 1.12 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 2fn5 n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2fn5 n GLY 70 N 6.41 1.84 3.94 2.92 0.00 -1.26 -4.85 105.19 114.19 2fn5 n GLY 70 Ca 0.46 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 2.10 0.61 1.61 -7.23 -0.69 -5.01 120.40 109.78 2fn5 s VAL 71 Ca 0.00 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2fn5 s VAL 71 Cb 0.00 -2.39 0.07 0.00 0.56 0.00 0.00 36.38 34.62 2fn5 s VAL 71 CO 0.00 0.00 0.85 0.42 -0.31 0.00 0.00 175.10 176.06 2fn5 s THR 72 N -2.65 2.47 0.38 5.32 -4.23 -1.26 -4.69 115.64 110.98 2fn5 s THR 72 Ca 0.47 -0.65 0.12 0.00 -1.18 0.00 0.00 61.69 60.44 2fn5 s THR 72 Cb -0.04 -2.82 0.12 0.00 1.34 0.00 0.00 72.50 71.10 2fn5 s THR 72 CO 0.29 0.00 1.87 0.06 -0.54 0.00 0.00 174.62 176.30 2fn5 h GLN 73 N -0.12 0.09 0.00 3.99 -0.00 -1.92 -1.50 115.11 115.64 2fn5 h GLN 73 Ca -0.40 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.13 2fn5 h GLN 73 Cb 1.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.75 2fn5 h GLN 73 CO 0.48 0.36 -0.44 -2.95 -0.00 0.00 0.00 178.83 176.28 2fn5 h ASN 74 N 0.08 0.00 0.08 0.06 7.08 -1.99 0.17 115.58 121.07 2fn5 h ASN 74 Ca 0.01 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.23 2fn5 h ASN 74 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.77 2fn5 h ASN 74 CO 0.04 0.44 -0.04 0.15 -2.08 0.00 0.00 177.43 175.94 2fn5 h PHE 75 N 0.00 -0.09 -0.23 4.14 3.04 -1.80 -3.16 116.94 118.84 2fn5 h PHE 75 Ca -0.00 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.97 2fn5 h PHE 75 Cb 1.02 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.54 2fn5 h PHE 75 CO 0.00 0.47 0.05 0.00 -2.02 0.00 0.00 178.31 176.81 2fn5 h ALA 76 N -0.18 0.24 -0.83 2.41 0.00 -1.16 -1.56 119.26 118.18 2fn5 h ALA 76 Ca -0.01 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2fn5 h ALA 76 Cb 0.60 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2fn5 h ALA 76 CO 0.02 -0.37 0.54 0.00 0.00 0.00 0.00 179.25 179.44 2fn5 h ALA 77 N 1.16 1.75 -0.35 0.00 0.00 -0.79 0.21 119.26 121.24 2fn5 h ALA 77 Ca 0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2fn5 h ALA 77 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2fn5 h ALA 77 CO -0.13 0.07 0.03 1.15 0.00 0.00 0.00 179.25 180.37 2fn5 h THR 78 N 0.75 1.25 0.11 0.00 2.02 -1.29 -0.35 112.91 115.40 2fn5 h THR 78 Ca 0.39 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2fn5 h THR 78 Cb 0.49 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2fn5 h THR 78 CO -0.16 0.30 -0.05 0.58 0.37 0.00 0.00 175.52 176.56 2fn5 h VAL 79 N 0.42 0.95 0.00 3.16 2.07 -0.17 0.76 116.25 123.44 2fn5 h VAL 79 Ca 0.10 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2fn5 h VAL 79 Cb 0.40 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2fn5 h VAL 79 CO 0.01 0.05 -0.00 -0.07 0.02 0.00 0.00 177.57 177.58 2fn5 h LEU 80 N -0.25 0.00 0.00 2.57 -0.00 -0.99 -0.71 115.31 115.94 2fn5 h LEU 80 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.72 2fn5 h LEU 80 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 2fn5 h LEU 80 CO 0.02 0.00 -1.13 -0.09 -0.00 0.00 0.00 178.44 177.25 2fn5 h ARG 81 N 0.00 0.00 -0.13 1.13 1.12 -0.39 -3.33 114.38 112.78 2fn5 h ARG 81 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2fn5 h ARG 81 Cb 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 2fn5 h ARG 81 CO 0.00 0.37 0.00 0.09 -3.11 0.00 0.00 179.97 177.32 2fn5 n ASN 82 N -3.00 1.52 -3.48 -3.80 3.02 0.20 -4.88 115.26 104.84 2fn5 n ASN 82 Ca -0.06 -1.65 -0.25 0.00 -0.03 0.00 0.00 54.58 52.59 2fn5 n ASN 82 Cb 0.81 -0.08 0.20 0.00 -0.61 0.00 0.00 39.78 40.10 2fn5 n ASN 82 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2fn5 n THR 83 N 0.21 0.00 -2.60 3.41 -2.24 -1.07 -5.06 114.28 106.93 2fn5 n THR 83 Ca 0.17 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2fn5 n THR 83 Cb 0.31 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 2fn5 n THR 83 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2fn5 n LYS 84 N -4.00 0.00 0.00 -0.78 -0.00 -1.26 -4.94 118.16 107.18 2fn5 n LYS 84 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2fn5 n LYS 84 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.53 2fn5 n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2fn5 n GLY 85 N 0.00 -3.51 3.62 2.58 0.00 -1.26 -4.27 105.19 102.36 2fn5 n GLY 85 Ca 0.00 0.74 -0.43 0.00 0.00 0.00 0.00 46.02 46.33 2fn5 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2fn5 s ASN 86 N -2.94 6.80 -0.01 1.61 -0.87 -1.25 0.44 114.94 118.73 2fn5 s ASN 86 Ca 0.00 0.81 0.06 0.00 -1.57 0.00 0.00 52.86 52.16 2fn5 s ASN 86 Cb 0.00 -2.51 -0.02 0.00 -0.02 0.00 0.00 41.25 38.70 2fn5 s ASN 86 CO 0.00 -0.91 -0.20 -0.69 -2.57 0.00 0.00 177.10 172.73 2fn5 s VAL 87 N 3.67 1.61 -0.53 1.60 1.01 0.73 -4.93 120.40 123.57 2fn5 s VAL 87 Ca 0.43 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 2fn5 s VAL 87 Cb -0.11 -1.34 0.12 0.00 0.00 0.00 0.00 36.38 35.04 2fn5 s VAL 87 CO 0.18 0.43 0.48 -0.13 0.00 0.00 0.00 175.10 176.06 2fn5 s ARG 88 N -0.55 2.96 -0.52 2.72 0.52 -1.26 -0.25 118.95 122.57 2fn5 s ARG 88 Ca 0.08 -1.67 -0.20 0.00 -0.52 0.00 0.00 55.73 53.42 2fn5 s ARG 88 Cb -0.08 -4.26 0.06 0.00 0.52 0.00 0.00 34.95 31.19 2fn5 s ARG 88 CO -0.01 -1.28 0.68 -0.06 0.02 0.00 0.00 175.30 174.65 2fn5 s PHE 89 N 1.59 3.00 -0.98 -0.53 0.08 0.55 -0.73 117.98 120.97 2fn5 s PHE 89 Ca 0.03 -0.50 -0.14 0.00 0.12 0.00 0.00 56.93 56.44 2fn5 s PHE 89 Cb -0.29 -3.66 0.20 0.00 -0.57 0.00 0.00 43.02 38.71 2fn5 s PHE 89 CO 0.03 -1.11 1.04 0.08 -0.10 0.00 0.00 175.22 175.17 2fn5 s VAL 90 N 2.84 5.40 0.26 -0.44 1.01 0.16 0.49 120.40 130.13 2fn5 s VAL 90 Ca 0.17 -2.51 0.07 0.00 0.00 0.00 0.00 61.98 59.71 2fn5 s VAL 90 Cb -0.19 -4.65 -0.03 0.00 0.00 0.00 0.00 36.38 31.52 2fn5 s VAL 90 CO 0.12 -1.27 0.24 -0.63 0.00 0.00 0.00 175.10 173.56 2fn5 s ILE 91 N 0.65 4.43 0.16 2.22 1.01 -0.60 -1.21 121.20 127.86 2fn5 s ILE 91 Ca 0.28 -1.33 0.10 0.00 0.00 0.00 0.00 60.65 59.70 2fn5 s ILE 91 Cb -0.08 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2fn5 s ILE 91 CO -0.07 -0.32 -0.22 -0.83 0.00 0.00 0.00 174.94 173.49 2fn5 s GLY 92 N -3.89 1.50 -0.23 6.18 0.00 -1.26 0.00 107.32 109.62 2fn5 s GLY 92 Ca 0.34 -1.49 -0.15 0.00 0.00 0.00 0.00 44.72 43.43 2fn5 s GLY 92 CO 0.26 -1.51 0.36 -1.60 0.00 0.00 0.00 173.10 170.61 2fn5 s ARG 93 N -2.44 4.10 0.00 2.90 6.06 -0.15 -4.59 118.95 124.83 2fn5 s ARG 93 Ca 0.15 0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.46 2fn5 s ARG 93 Cb -0.08 -3.58 0.00 0.00 0.06 0.00 0.00 34.95 31.34 2fn5 s ARG 93 CO 0.07 -0.12 0.22 0.39 -2.50 0.00 0.00 175.30 173.36