#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 3.41 -0.28 1.61 0.00 -1.26 -5.02 115.29 113.75 2fn5 s HIS 2 Ca 0.00 0.38 -0.24 0.00 -3.00 0.00 0.00 55.06 52.20 2fn5 s HIS 2 Cb 0.00 -2.12 0.10 0.00 -4.00 0.00 0.00 32.58 26.56 2fn5 s HIS 2 CO 0.00 -0.13 0.89 1.41 -1.00 0.00 0.00 174.74 175.91 2fn5 s MET 3 N -4.48 0.63 -0.61 -0.38 0.00 -1.26 -4.79 119.30 108.41 2fn5 s MET 3 Ca 0.44 0.79 -0.21 0.00 0.00 0.00 0.00 55.69 56.71 2fn5 s MET 3 Cb -0.10 0.29 0.08 0.00 0.00 0.00 0.00 34.83 35.10 2fn5 s MET 3 CO 0.38 -0.08 0.83 -2.00 0.00 0.00 0.00 175.02 174.15 2fn5 s GLU 4 N 0.41 3.11 -0.16 4.11 2.12 -0.59 -4.88 118.70 122.83 2fn5 s GLU 4 Ca 0.01 -0.94 -0.22 0.00 0.36 0.00 0.00 54.97 54.18 2fn5 s GLU 4 Cb -0.05 -4.20 -0.03 0.00 0.26 0.00 0.00 34.13 30.11 2fn5 s GLU 4 CO -0.05 -1.61 0.67 -0.51 -0.54 0.00 0.00 175.26 173.23 2fn5 s LEU 5 N 3.41 4.19 -0.00 2.70 2.01 -1.26 -1.23 118.68 128.50 2fn5 s LEU 5 Ca 0.19 0.97 0.03 0.00 0.01 0.00 0.00 54.13 55.33 2fn5 s LEU 5 Cb -0.19 -2.99 -0.01 0.00 0.01 0.00 0.00 46.19 43.01 2fn5 s LEU 5 CO 0.10 -0.25 -0.11 0.72 1.01 0.00 0.00 176.35 177.82 2fn5 s PHE 6 N 1.66 0.94 -0.12 0.29 -0.12 0.16 -4.95 117.98 115.85 2fn5 s PHE 6 Ca 0.32 -0.19 -0.27 0.00 -0.05 0.00 0.00 56.93 56.74 2fn5 s PHE 6 Cb -0.16 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.61 2fn5 s PHE 6 CO 0.12 -0.01 0.87 -1.25 -0.05 0.00 0.00 175.22 174.90 2fn5 s PRO 7 N -0.34 4.38 -0.35 1.99 0.04 -1.26 -1.18 135.00 138.28 2fn5 s PRO 7 Ca 0.03 1.14 -0.07 0.00 0.04 0.00 0.00 61.00 62.14 2fn5 s PRO 7 Cb -0.04 -3.53 0.05 0.00 0.04 0.00 0.00 34.50 31.01 2fn5 s PRO 7 CO -0.00 -0.23 0.13 0.08 0.04 0.00 0.00 177.00 177.02 2fn5 s VAL 8 N 1.77 3.87 -0.55 -0.36 1.01 0.11 -4.91 120.40 121.33 2fn5 s VAL 8 Ca 0.42 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 2fn5 s VAL 8 Cb -0.18 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.05 2fn5 s VAL 8 CO 0.16 -0.24 0.72 -0.70 0.00 0.00 0.00 175.10 175.05 2fn5 s GLU 9 N 1.41 3.12 0.15 2.72 2.12 -1.25 0.12 118.70 127.08 2fn5 s GLU 9 Ca -0.01 -0.95 0.04 0.00 0.36 0.00 0.00 54.97 54.41 2fn5 s GLU 9 Cb -0.20 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 29.99 2fn5 s GLU 9 CO 0.03 -1.41 0.19 -1.17 -0.54 0.00 0.00 175.26 172.35 2fn5 s LEU 10 N 2.94 4.02 -0.33 2.70 0.20 0.17 -4.90 118.68 123.48 2fn5 s LEU 10 Ca 0.16 0.01 0.03 0.00 0.69 0.00 0.00 54.13 55.02 2fn5 s LEU 10 Cb -0.20 -2.62 0.10 0.00 -0.43 0.00 0.00 46.19 43.04 2fn5 s LEU 10 CO 0.11 0.08 0.05 -0.70 -0.29 0.00 0.00 176.35 175.60 2fn5 s GLU 11 N -3.05 1.32 0.73 1.98 2.12 -1.23 -0.71 118.70 119.86 2fn5 s GLU 11 Ca 0.32 -1.64 -0.00 0.00 0.36 0.00 0.00 54.97 54.01 2fn5 s GLU 11 Cb -0.11 -2.89 0.14 0.00 0.26 0.00 0.00 34.13 31.53 2fn5 s GLU 11 CO 0.25 -0.93 1.00 0.15 -0.54 0.00 0.00 175.26 175.20 2fn5 s LYS 12 N 1.09 1.61 0.00 4.30 -0.14 0.12 -4.86 119.74 121.87 2fn5 s LYS 12 Ca 0.10 -1.21 0.00 0.00 -1.36 0.00 0.00 55.97 53.49 2fn5 s LYS 12 Cb -0.19 -2.34 0.00 0.00 -1.68 0.00 0.00 37.83 33.62 2fn5 s LYS 12 CO -0.12 -1.50 0.00 -3.47 -0.76 0.00 0.00 175.35 169.50 2fn5 n ASP 13 N -2.85 0.14 0.08 2.83 2.03 -1.26 -4.25 116.55 113.27 2fn5 n ASP 13 Ca 0.16 -0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.59 2fn5 n ASP 13 Cb 0.61 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.47 2fn5 n ASP 13 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2fn5 n GLU 14 N -0.00 0.15 -0.06 -0.67 0.28 -1.26 -2.92 120.64 116.16 2fn5 n GLU 14 Ca 0.00 0.23 -0.14 0.00 -0.16 0.00 0.00 57.16 57.09 2fn5 n GLU 14 Cb 0.00 -1.72 -0.06 0.00 1.43 0.00 0.00 31.44 31.09 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 0.61 0.00 -1.84 3.58 -1.97 -3.49 116.42 113.30 2fn5 h ASP 15 Ca 0.00 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2fn5 h ASP 15 Cb 0.52 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2fn5 h ASP 15 CO 0.00 1.03 0.00 0.61 -2.88 0.00 0.00 179.24 178.00 2fn5 n GLY 16 N 0.36 0.20 0.12 -0.78 0.00 -1.15 -4.84 105.19 99.10 2fn5 n GLY 16 Ca -0.06 -1.43 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 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 1.73 0.00 0.99 4.77 -1.26 -4.27 117.00 118.96 2fn5 n LEU 17 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2fn5 n LEU 17 Cb 0.00 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 2fn5 n LEU 17 CO 0.00 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 2fn5 n GLY 18 N 1.53 0.46 3.96 -0.72 0.00 -1.26 -4.50 105.19 104.67 2fn5 n GLY 18 Ca -0.12 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 2.09 0.05 -0.61 -4.36 -1.26 -2.95 121.20 112.15 2fn5 s ILE 19 Ca 0.00 -1.23 0.03 0.00 -0.26 0.00 0.00 60.65 59.19 2fn5 s ILE 19 Cb 0.00 -2.31 -0.02 0.00 1.25 0.00 0.00 42.46 41.37 2fn5 s ILE 19 CO 0.00 0.00 -0.08 -0.44 0.24 0.00 0.00 174.94 174.66 2fn5 s SER 20 N -4.43 0.95 0.36 4.36 0.01 0.30 -4.96 113.70 110.29 2fn5 s SER 20 Ca 0.49 -0.56 0.09 0.00 1.31 0.00 0.00 55.95 57.28 2fn5 s SER 20 Cb -0.04 0.03 -0.07 0.00 0.21 0.00 0.00 66.02 66.15 2fn5 s SER 20 CO 0.31 -0.19 -0.07 0.27 0.41 0.00 0.00 173.24 173.96 2fn5 s ILE 21 N -1.39 2.17 -0.04 1.44 -5.25 -1.26 -0.10 121.20 116.78 2fn5 s ILE 21 Ca -0.09 -2.16 -0.01 0.00 -0.99 0.00 0.00 60.65 57.40 2fn5 s ILE 21 Cb -0.10 -2.72 0.03 0.00 2.95 0.00 0.00 42.46 42.63 2fn5 s ILE 21 CO 0.01 -0.16 0.07 -0.51 -1.79 0.00 0.00 174.94 172.55 2fn5 s ILE 22 N -2.64 -0.08 -0.44 8.37 2.07 0.10 -4.37 121.20 124.21 2fn5 s ILE 22 Ca 0.33 0.25 -0.20 0.00 -1.41 0.00 0.00 60.65 59.63 2fn5 s ILE 22 Cb 0.04 -0.14 0.03 0.00 0.13 0.00 0.00 42.46 42.52 2fn5 s ILE 22 CO 0.17 0.10 0.58 -0.83 -1.91 0.00 0.00 174.94 173.05 2fn5 s GLY 23 N 1.33 1.77 -0.43 1.50 0.00 -1.26 -0.32 107.32 109.92 2fn5 s GLY 23 Ca -0.06 -1.36 0.02 0.00 0.00 0.00 0.00 44.72 43.32 2fn5 s GLY 23 CO -0.04 1.42 0.19 1.06 0.00 0.00 0.00 173.10 175.73 2fn5 s MET 24 N 2.60 1.42 -0.63 2.90 -1.94 0.13 -4.96 119.30 118.81 2fn5 s MET 24 Ca 0.19 -2.01 -0.26 0.00 -1.71 0.00 0.00 55.69 51.89 2fn5 s MET 24 Cb -0.16 -2.68 -0.11 0.00 2.01 0.00 0.00 34.83 33.90 2fn5 s MET 24 CO 0.17 -1.09 2.45 0.41 -0.01 0.00 0.00 175.02 176.94 2fn5 n GLY 25 N 3.73 0.01 2.04 -0.03 0.00 -1.26 -3.91 105.19 105.77 2fn5 n GLY 25 Ca 0.05 0.64 -0.21 0.00 0.00 0.00 0.00 46.02 46.50 2fn5 n GLY 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2fn5 n VAL 26 N 8.00 2.97 -2.79 1.61 3.14 -1.26 -4.89 118.33 125.11 2fn5 n VAL 26 Ca 0.44 -2.03 -0.43 0.00 -2.96 0.00 0.00 64.34 59.36 2fn5 n VAL 26 Cb 0.45 -1.35 -0.04 0.00 -1.06 0.00 0.00 33.84 31.84 2fn5 n VAL 26 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2fn5 s GLY 27 N -0.07 1.35 -0.50 7.55 0.00 -1.26 -3.10 107.32 111.29 2fn5 s GLY 27 Ca 0.39 -1.21 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 2fn5 s GLY 27 CO -0.04 2.13 0.45 0.00 0.00 0.00 0.00 173.10 175.65 2fn5 n ALA 28 N 7.66 -1.91 0.07 3.20 0.00 -1.26 -5.00 120.51 123.27 2fn5 n ALA 28 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2fn5 n ALA 28 Cb 0.48 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.00 2fn5 n ALA 28 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fn5 n ASP 29 N -1.86 0.08 0.00 0.00 -0.08 -1.25 -4.98 116.55 108.46 2fn5 n ASP 29 Ca -0.02 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 2fn5 n ASP 29 Cb 0.53 0.12 0.00 0.00 2.34 0.00 0.00 41.12 44.11 2fn5 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2fn5 n ALA 30 N -3.04 1.68 0.00 -1.67 0.00 -1.26 -4.97 120.51 111.25 2fn5 n ALA 30 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2fn5 n ALA 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.34 0.38 0.10 0.00 0.00 -1.26 -4.94 105.19 99.13 2fn5 n GLY 31 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.31 -3.75 0.99 4.07 -1.93 0.30 115.31 115.29 2fn5 h LEU 32 Ca 0.00 -0.95 -0.49 0.00 0.08 0.00 0.00 57.88 56.52 2fn5 h LEU 32 Cb 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.64 2fn5 h LEU 32 CO 0.00 1.29 -1.11 -0.62 -1.08 0.00 0.00 178.44 176.91 2fn5 n GLU 33 N -4.27 -1.57 -0.34 1.13 4.71 -1.18 -4.53 120.64 114.59 2fn5 n GLU 33 Ca -0.14 0.79 0.00 0.00 -0.01 0.00 0.00 57.16 57.81 2fn5 n GLU 33 Cb 0.72 -2.24 0.00 0.00 -1.01 0.00 0.00 31.44 28.90 2fn5 n GLU 33 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2fn5 n LYS 34 N -2.48 0.00 -1.61 3.49 2.85 -1.25 -4.92 118.16 114.25 2fn5 n LYS 34 Ca -0.31 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.58 2fn5 n LYS 34 Cb 0.70 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 35.14 2fn5 n LYS 34 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2fn5 n LEU 35 N 0.00 4.47 -0.78 -5.58 -0.00 -1.26 -4.20 117.00 109.65 2fn5 n LEU 35 Ca 0.00 0.78 0.04 0.00 -0.00 0.00 0.00 56.01 56.83 2fn5 n LEU 35 Cb 0.00 -1.45 0.18 0.00 -0.00 0.00 0.00 43.42 42.15 2fn5 n LEU 35 CO 0.00 -1.62 0.32 0.61 -0.00 0.00 0.00 177.39 176.70 2fn5 n GLY 36 N 1.14 4.81 3.55 1.47 0.00 -1.25 -4.64 105.19 110.27 2fn5 n GLY 36 Ca 0.15 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.02 4.04 0.33 -0.61 -1.09 -1.26 0.20 121.20 119.80 2fn5 s ILE 37 Ca 0.38 0.49 0.06 0.00 -2.23 0.00 0.00 60.65 59.35 2fn5 s ILE 37 Cb 0.37 -4.74 -0.01 0.00 -1.58 0.00 0.00 42.46 36.50 2fn5 s ILE 37 CO -0.07 -1.45 0.47 -0.36 -1.23 0.00 0.00 174.94 172.30 2fn5 s PHE 38 N 4.87 3.18 -0.00 3.97 0.08 0.56 -1.39 117.98 129.24 2fn5 s PHE 38 Ca 0.36 -0.14 -0.27 0.00 0.12 0.00 0.00 56.93 56.99 2fn5 s PHE 38 Cb -0.10 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 2fn5 s PHE 38 CO 0.19 0.03 0.87 0.08 -0.10 0.00 0.00 175.22 176.29 2fn5 s VAL 39 N -2.18 4.87 -0.18 -0.44 1.01 -0.24 0.01 120.40 123.24 2fn5 s VAL 39 Ca 0.44 1.82 -0.13 0.00 0.00 0.00 0.00 61.98 64.10 2fn5 s VAL 39 Cb -0.09 -4.21 -0.21 0.00 0.00 0.00 0.00 36.38 31.87 2fn5 s VAL 39 CO 0.31 0.23 0.19 1.17 0.00 0.00 0.00 175.10 177.00 2fn5 n LYS 40 N 3.61 0.65 -3.68 2.72 3.00 0.86 -4.61 118.16 120.72 2fn5 n LYS 40 Ca 0.02 0.39 -0.10 0.00 -0.00 0.00 0.00 58.31 58.63 2fn5 n LYS 40 Cb 0.51 -1.69 -0.04 0.00 0.00 0.00 0.00 35.03 33.80 2fn5 n LYS 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2fn5 s THR 41 N -2.47 0.05 0.21 3.15 2.01 -0.98 -4.96 115.64 112.65 2fn5 s THR 41 Ca -0.28 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.13 2fn5 s THR 41 Cb 0.07 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 2fn5 s THR 41 CO 0.65 -0.21 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.56 2fn5 s VAL 42 N -3.84 1.64 0.43 3.82 1.01 -1.26 -0.54 120.40 121.66 2fn5 s VAL 42 Ca 0.06 -2.18 -0.23 0.00 0.00 0.00 0.00 61.98 59.63 2fn5 s VAL 42 Cb 0.01 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.20 2fn5 s VAL 42 CO -0.08 -0.55 1.11 0.28 0.00 0.00 0.00 175.10 175.86 2fn5 s THR 43 N -3.03 3.42 -2.53 3.92 -1.32 -1.15 -4.86 115.64 110.09 2fn5 s THR 43 Ca 0.23 1.07 0.21 0.00 -1.21 0.00 0.00 61.69 61.99 2fn5 s THR 43 Cb 0.01 -3.55 0.15 0.00 -1.51 0.00 0.00 72.50 67.60 2fn5 s THR 43 CO 0.07 -0.01 1.14 1.21 -2.21 0.00 0.00 174.62 174.83 2fn5 n GLU 44 N -0.28 1.84 0.15 7.08 2.13 -1.26 -4.01 120.64 126.28 2fn5 n GLU 44 Ca 0.06 -1.67 -0.00 0.00 0.66 0.00 0.00 57.16 56.21 2fn5 n GLU 44 Cb 0.49 -1.39 0.24 0.00 0.27 0.00 0.00 31.44 31.05 2fn5 n GLU 44 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2fn5 h GLY 45 N 4.06 0.03 0.00 8.31 0.00 -1.91 -3.48 103.07 110.07 2fn5 h GLY 45 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2fn5 h GLY 45 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.18 2fn5 n GLY 46 N -0.05 4.53 4.30 4.60 0.00 -1.26 -5.04 105.19 112.28 2fn5 n GLY 46 Ca -0.01 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.86 0.00 -0.06 4.61 0.00 -1.26 -4.60 120.51 117.34 2fn5 n ALA 47 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2fn5 n ALA 47 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.02 0.00 0.00 0.00 -1.89 -0.72 119.26 116.67 2fn5 h ALA 48 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2fn5 h ALA 48 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2fn5 h ALA 48 CO 0.00 0.14 0.00 1.96 0.00 0.00 0.00 179.25 181.35 2fn5 h GLN 49 N -1.00 0.00 0.00 0.00 4.20 -1.81 -1.52 115.11 114.97 2fn5 h GLN 49 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2fn5 h GLN 49 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2fn5 h GLN 49 CO -0.02 0.00 -0.27 0.00 -0.67 0.00 0.00 178.83 177.88 2fn5 h ARG 50 N 0.00 0.00 0.78 1.46 2.47 -1.88 -3.33 114.38 113.88 2fn5 h ARG 50 Ca 0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2fn5 h ARG 50 Cb 0.59 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2fn5 h ARG 50 CO 0.00 0.00 -0.38 0.22 0.56 0.00 0.00 179.97 180.37 2fn5 h ASP 51 N 0.00 -0.89 0.00 7.04 3.58 -0.03 -3.48 116.42 122.64 2fn5 h ASP 51 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2fn5 h ASP 51 Cb 0.85 0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2fn5 h ASP 51 CO 0.00 -0.61 0.00 0.61 -2.88 0.00 0.00 179.24 176.36 2fn5 n GLY 52 N -1.32 1.06 0.12 -0.78 0.00 -1.23 -4.84 105.19 98.20 2fn5 n GLY 52 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 3.31 0.14 -7.09 1.61 1.12 -1.92 -3.46 114.38 108.09 2fn5 h ARG 53 Ca 0.00 -0.23 -0.47 0.00 -1.11 0.00 0.00 59.98 58.16 2fn5 h ARG 53 Cb 0.00 0.09 0.03 0.00 -0.01 0.00 0.00 29.97 30.08 2fn5 h ARG 53 CO 0.00 1.11 0.39 -1.50 -3.11 0.00 0.00 179.97 176.86 2fn5 s ILE 54 N -2.45 3.79 0.11 1.20 2.07 -1.26 -5.06 121.20 119.60 2fn5 s ILE 54 Ca -0.25 1.09 0.02 0.00 -1.41 0.00 0.00 60.65 60.10 2fn5 s ILE 54 Cb 0.06 -3.44 -0.04 0.00 0.13 0.00 0.00 42.46 39.16 2fn5 s ILE 54 CO 0.68 -0.27 -0.07 -1.10 -1.91 0.00 0.00 174.94 172.28 2fn5 s GLN 55 N -3.32 0.90 0.36 3.50 -0.21 -1.26 -4.96 119.66 114.67 2fn5 s GLN 55 Ca 0.67 -1.37 0.27 0.00 0.02 0.00 0.00 55.36 54.94 2fn5 s GLN 55 Cb -0.16 -0.30 0.98 0.00 1.00 0.00 0.00 33.01 34.53 2fn5 s GLN 55 CO 0.22 -0.01 1.79 -0.24 -2.12 0.00 0.00 175.29 174.93 2fn5 h VAL 56 N 2.91 0.00 -0.01 1.09 3.04 -1.94 -3.12 116.25 118.21 2fn5 h VAL 56 Ca -0.36 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2fn5 h VAL 56 Cb 1.17 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 2fn5 h VAL 56 CO 0.64 0.00 -0.33 -3.20 -1.01 0.00 0.00 177.57 173.67 2fn5 n ASN 57 N -2.61 0.89 -3.70 3.17 2.85 -1.26 -3.97 115.26 110.63 2fn5 n ASN 57 Ca 0.03 -0.72 -0.14 0.00 -0.11 0.00 0.00 54.58 53.63 2fn5 n ASN 57 Cb 0.33 0.17 0.06 0.00 1.24 0.00 0.00 39.78 41.59 2fn5 n ASN 57 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2fn5 n ASP 58 N -0.88 1.02 -4.27 1.20 8.00 -1.18 -4.81 116.55 115.63 2fn5 n ASP 58 Ca 0.10 -1.81 -0.33 0.00 0.71 0.00 0.00 54.79 53.47 2fn5 n ASP 58 Cb 0.35 -0.36 -0.16 0.00 -0.02 0.00 0.00 41.12 40.93 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 -3.95 3.20 -0.51 -1.24 0.74 -1.26 -1.08 119.66 115.56 2fn5 s GLN 59 Ca 0.41 -0.77 -0.28 0.00 0.05 0.00 0.00 55.36 54.77 2fn5 s GLN 59 Cb -0.03 -2.54 0.00 0.00 1.10 0.00 0.00 33.01 31.55 2fn5 s GLN 59 CO 0.27 0.09 1.57 0.42 -0.55 0.00 0.00 175.29 177.09 2fn5 s ILE 60 N 0.60 3.66 -0.21 -2.34 -1.09 -0.48 -3.80 121.20 117.55 2fn5 s ILE 60 Ca -0.10 0.58 -0.21 0.00 -2.23 0.00 0.00 60.65 58.69 2fn5 s ILE 60 Cb -0.16 -4.17 -0.19 0.00 -1.58 0.00 0.00 42.46 36.36 2fn5 s ILE 60 CO 0.03 -0.93 0.21 0.52 -1.23 0.00 0.00 174.94 173.54 2fn5 n VAL 61 N 7.06 1.55 -3.32 2.92 0.31 -0.82 -4.72 118.33 121.31 2fn5 n VAL 61 Ca 0.16 -0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.34 2fn5 n VAL 61 Cb 0.49 -2.02 -0.07 0.00 -0.91 0.00 0.00 33.84 31.33 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 -2.38 0.39 -0.22 5.55 2.12 0.69 -3.77 118.70 121.09 2fn5 s GLU 62 Ca -0.29 0.31 -0.18 0.00 0.36 0.00 0.00 54.97 55.17 2fn5 s GLU 62 Cb 0.06 -0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 2fn5 s GLU 62 CO 0.60 -0.87 0.52 0.08 -0.54 0.00 0.00 175.26 175.05 2fn5 s VAL 63 N 2.55 5.09 0.00 3.70 1.01 -1.26 -0.32 120.40 131.17 2fn5 s VAL 63 Ca 0.11 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2fn5 s VAL 63 Cb -0.14 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2fn5 s VAL 63 CO -0.25 0.15 0.00 -0.67 0.00 0.00 0.00 175.10 174.33 2fn5 n ASP 64 N 5.00 -2.39 0.00 3.32 2.03 0.17 -0.58 116.55 124.11 2fn5 n ASP 64 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2fn5 n ASP 64 Cb 0.50 -2.17 0.00 0.00 -0.72 0.00 0.00 41.12 38.74 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 -1.15 0.81 0.20 0.27 0.00 -1.26 -4.91 105.19 99.16 2fn5 n GLY 65 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.90 -0.61 2.10 -1.16 -3.48 117.51 108.46 2fn5 h ILE 66 Ca 0.00 -0.51 -0.15 0.00 1.08 0.00 0.00 64.86 65.29 2fn5 h ILE 66 Cb 0.00 1.43 0.01 0.00 -1.09 0.00 0.00 36.82 37.17 2fn5 h ILE 66 CO 0.00 0.00 -0.91 -1.54 -1.08 0.00 0.00 178.15 174.62 2fn5 n SER 67 N -2.74 -6.85 -1.13 2.19 3.41 -1.26 -4.89 113.62 102.34 2fn5 n SER 67 Ca 0.02 0.38 0.06 0.00 -0.26 0.00 0.00 58.87 59.08 2fn5 n SER 67 Cb 0.34 -3.43 0.24 0.00 -0.26 0.00 0.00 64.21 61.09 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 0.12 3.28 -4.55 1.04 -0.00 -1.25 -4.87 117.00 110.76 2fn5 n LEU 68 Ca 0.01 -1.65 -0.39 0.00 -0.00 0.00 0.00 56.01 53.98 2fn5 n LEU 68 Cb 0.49 -0.46 -0.04 0.00 -0.00 0.00 0.00 43.42 43.41 2fn5 n LEU 68 CO 0.44 0.58 2.00 0.52 -0.00 0.00 0.00 177.39 180.93 2fn5 n VAL 69 N 0.70 0.02 0.00 1.47 0.31 -1.25 -1.13 118.33 118.45 2fn5 n VAL 69 Ca 0.17 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2fn5 n VAL 69 Cb 0.62 -2.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 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 6.04 0.94 3.95 2.92 0.00 -1.26 -4.89 105.19 112.89 2fn5 n GLY 70 Ca 0.38 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 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 2.04 0.43 1.61 -7.23 -0.28 -4.94 120.40 110.03 2fn5 s VAL 71 Ca 0.00 -0.20 0.08 0.00 -1.81 0.00 0.00 61.98 60.05 2fn5 s VAL 71 Cb 0.00 -2.84 0.01 0.00 0.56 0.00 0.00 36.38 34.11 2fn5 s VAL 71 CO 0.00 0.00 0.55 0.42 -0.31 0.00 0.00 175.10 175.76 2fn5 s THR 72 N -3.65 2.89 0.44 5.32 -4.23 -1.26 -4.75 115.64 110.40 2fn5 s THR 72 Ca 0.72 -1.06 0.15 0.00 -1.18 0.00 0.00 61.69 60.32 2fn5 s THR 72 Cb -0.04 -2.95 0.33 0.00 1.34 0.00 0.00 72.50 71.18 2fn5 s THR 72 CO 0.50 0.00 1.98 0.06 -0.54 0.00 0.00 174.62 176.62 2fn5 h GLN 73 N 0.68 0.38 0.00 3.99 -0.00 -1.94 -0.78 115.11 117.43 2fn5 h GLN 73 Ca -0.40 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.20 2fn5 h GLN 73 Cb 1.28 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 28.67 2fn5 h GLN 73 CO 0.47 0.25 -0.17 -2.95 -0.00 0.00 0.00 178.83 176.43 2fn5 h ASN 74 N 0.39 0.00 0.00 0.06 7.08 -1.98 0.31 115.58 121.43 2fn5 h ASN 74 Ca 0.28 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.48 2fn5 h ASN 74 Cb 0.59 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.83 2fn5 h ASN 74 CO -0.08 0.17 -0.11 0.15 -2.08 0.00 0.00 177.43 175.49 2fn5 h PHE 75 N 0.00 0.00 -0.30 4.14 3.04 -1.58 -3.24 116.94 119.00 2fn5 h PHE 75 Ca -0.00 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 2fn5 h PHE 75 Cb 0.85 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.33 2fn5 h PHE 75 CO 0.00 1.03 0.11 0.00 -2.02 0.00 0.00 178.31 177.43 2fn5 h ALA 76 N -0.06 0.34 -0.55 2.41 0.00 -1.06 -1.17 119.26 119.18 2fn5 h ALA 76 Ca -0.03 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2fn5 h ALA 76 Cb 1.01 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2fn5 h ALA 76 CO -0.02 -0.29 0.37 0.00 0.00 0.00 0.00 179.25 179.31 2fn5 h ALA 77 N 1.18 2.02 -0.13 0.00 0.00 -0.55 -0.30 119.26 121.49 2fn5 h ALA 77 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2fn5 h ALA 77 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2fn5 h ALA 77 CO -0.13 -0.14 -0.07 1.15 0.00 0.00 0.00 179.25 180.05 2fn5 h THR 78 N 0.37 1.32 -0.03 0.00 2.02 -1.31 -2.39 112.91 112.89 2fn5 h THR 78 Ca 0.25 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.31 2fn5 h THR 78 Cb 0.50 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2fn5 h THR 78 CO -0.06 0.33 -0.03 0.58 0.37 0.00 0.00 175.52 176.71 2fn5 h VAL 79 N -0.07 0.92 0.00 3.16 2.07 0.02 0.15 116.25 122.50 2fn5 h VAL 79 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2fn5 h VAL 79 Cb 0.55 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2fn5 h VAL 79 CO 0.02 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.79 2fn5 n LEU 80 N -5.14 0.09 -0.01 2.57 7.99 -0.36 -1.14 117.00 120.99 2fn5 n LEU 80 Ca -0.06 0.52 0.05 0.00 -0.01 0.00 0.00 56.01 56.51 2fn5 n LEU 80 Cb 0.07 -0.52 -0.14 0.00 -0.11 0.00 0.00 43.42 42.72 2fn5 n LEU 80 CO 0.31 -0.35 -0.71 -1.14 -1.51 0.00 0.00 177.39 173.98 2fn5 n ARG 81 N -1.60 0.66 0.13 3.23 0.00 -0.34 -4.28 116.66 114.45 2fn5 n ARG 81 Ca 0.02 -0.07 0.06 0.00 -0.00 0.00 0.00 57.85 57.86 2fn5 n ARG 81 Cb 0.14 -1.59 0.03 0.00 0.00 0.00 0.00 32.46 31.04 2fn5 n ARG 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2fn5 h ASN 82 N 0.00 0.00 -4.22 6.15 -0.26 0.80 -3.47 115.58 114.57 2fn5 h ASN 82 Ca -0.15 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.07 2fn5 h ASN 82 Cb 1.36 0.00 0.16 0.00 -1.06 0.00 0.00 38.32 38.78 2fn5 h ASN 82 CO 0.01 0.32 0.34 0.42 -1.06 0.00 0.00 177.43 177.46 2fn5 s THR 83 N -3.08 2.52 0.00 2.81 -4.23 -0.68 -5.05 115.64 107.93 2fn5 s THR 83 Ca 0.02 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2fn5 s THR 83 Cb 0.08 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2fn5 s THR 83 CO 0.75 -0.17 0.00 2.29 -0.54 0.00 0.00 174.62 176.95 2fn5 n LYS 84 N -3.19 3.28 0.07 3.99 0.00 -1.26 -4.48 118.16 116.58 2fn5 n LYS 84 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.40 2fn5 n LYS 84 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.53 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 0.00 -0.21 -6.77 2.58 0.00 -1.74 -3.41 103.07 93.52 2fn5 h GLY 85 Ca 0.00 0.08 -0.56 0.00 0.00 0.00 0.00 47.33 46.84 2fn5 h GLY 85 CO 0.00 -0.07 1.01 -1.31 0.00 0.00 0.00 176.54 176.17 2fn5 s ASN 86 N -2.91 6.45 0.04 0.19 0.02 -1.25 0.15 114.94 117.63 2fn5 s ASN 86 Ca -0.03 0.63 0.07 0.00 -1.02 0.00 0.00 52.86 52.52 2fn5 s ASN 86 Cb 0.00 -2.54 -0.02 0.00 0.02 0.00 0.00 41.25 38.70 2fn5 s ASN 86 CO 0.09 -1.38 -0.21 -0.69 0.02 0.00 0.00 177.10 174.93 2fn5 s VAL 87 N 5.05 1.72 -0.49 1.60 1.01 0.11 -4.95 120.40 124.45 2fn5 s VAL 87 Ca 0.55 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 2fn5 s VAL 87 Cb -0.11 -1.49 0.13 0.00 0.00 0.00 0.00 36.38 34.92 2fn5 s VAL 87 CO 0.32 0.24 0.34 -0.13 0.00 0.00 0.00 175.10 175.87 2fn5 s ARG 88 N -1.14 2.42 -0.68 2.72 3.00 -1.26 -0.66 118.95 123.35 2fn5 s ARG 88 Ca 0.08 -1.92 -0.21 0.00 0.00 0.00 0.00 55.73 53.68 2fn5 s ARG 88 Cb -0.09 -3.84 0.09 0.00 0.00 0.00 0.00 34.95 31.11 2fn5 s ARG 88 CO 0.02 -1.17 0.91 -0.06 0.00 0.00 0.00 175.30 175.00 2fn5 s PHE 89 N 1.06 2.85 -0.88 -0.53 0.40 0.12 0.45 117.98 121.44 2fn5 s PHE 89 Ca 0.08 -0.82 -0.19 0.00 -0.60 0.00 0.00 56.93 55.41 2fn5 s PHE 89 Cb -0.24 -4.20 0.12 0.00 0.51 0.00 0.00 43.02 39.21 2fn5 s PHE 89 CO -0.02 -1.51 1.09 0.08 0.70 0.00 0.00 175.22 175.56 2fn5 s VAL 90 N 3.40 4.66 0.20 -0.44 1.01 0.56 0.08 120.40 129.86 2fn5 s VAL 90 Ca 0.20 -1.36 0.06 0.00 0.00 0.00 0.00 61.98 60.88 2fn5 s VAL 90 Cb -0.17 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.41 2fn5 s VAL 90 CO 0.06 -1.50 0.14 -0.63 0.00 0.00 0.00 175.10 173.17 2fn5 s ILE 91 N 2.93 4.36 0.18 2.22 1.01 -0.32 -0.23 121.20 131.35 2fn5 s ILE 91 Ca 0.31 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2fn5 s ILE 91 Cb -0.07 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 2fn5 s ILE 91 CO -0.06 -0.19 -0.00 -0.83 0.00 0.00 0.00 174.94 173.85 2fn5 s GLY 92 N -3.34 1.27 -0.14 6.18 0.00 -1.25 0.39 107.32 110.43 2fn5 s GLY 92 Ca 0.31 -1.61 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 2fn5 s GLY 92 CO 0.23 -1.55 0.34 -1.60 0.00 0.00 0.00 173.10 170.53 2fn5 s ARG 93 N -3.90 0.32 0.00 2.90 3.00 -0.36 -4.35 118.95 116.56 2fn5 s ARG 93 Ca 0.24 0.66 0.25 0.00 -1.00 0.00 0.00 55.73 55.89 2fn5 s ARG 93 Cb 0.06 -0.04 0.49 0.00 0.00 0.00 0.00 34.95 35.46 2fn5 s ARG 93 CO 0.05 -0.15 1.43 -0.85 0.00 0.00 0.00 175.30 175.78