#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 -2.44 -1.57 1.61 -0.00 -1.26 -4.99 115.22 106.57 2fn5 n HIS 2 Ca 0.00 1.43 0.00 0.00 -0.00 0.00 0.00 57.72 59.15 2fn5 n HIS 2 Cb 0.00 -2.84 0.00 0.00 -0.00 0.00 0.00 29.99 27.15 2fn5 n HIS 2 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2fn5 n MET 3 N 0.92 -3.11 -3.12 -0.41 0.00 -1.26 -4.93 117.12 105.21 2fn5 n MET 3 Ca -0.17 2.44 -0.43 0.00 0.00 0.00 0.00 57.70 59.54 2fn5 n MET 3 Cb 0.26 -2.66 -0.07 0.00 0.00 0.00 0.00 33.22 30.75 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 -1.45 3.23 -0.13 2.12 2.12 -0.21 -4.87 118.70 119.50 2fn5 s GLU 4 Ca 0.00 -0.52 -0.22 0.00 0.36 0.00 0.00 54.97 54.59 2fn5 s GLU 4 Cb 0.00 -3.99 -0.03 0.00 0.26 0.00 0.00 34.13 30.37 2fn5 s GLU 4 CO 0.00 -1.07 0.65 -0.51 -0.54 0.00 0.00 175.26 173.79 2fn5 s LEU 5 N 2.79 4.23 0.01 2.70 2.01 -1.26 -1.21 118.68 127.94 2fn5 s LEU 5 Ca 0.20 1.00 0.00 0.00 0.01 0.00 0.00 54.13 55.35 2fn5 s LEU 5 Cb -0.15 -2.97 -0.01 0.00 0.01 0.00 0.00 46.19 43.07 2fn5 s LEU 5 CO 0.17 -0.18 -0.02 0.72 1.01 0.00 0.00 176.35 178.05 2fn5 s PHE 6 N 1.31 0.19 -0.09 0.29 -0.12 0.14 -4.94 117.98 114.76 2fn5 s PHE 6 Ca 0.33 -0.16 -0.30 0.00 -0.05 0.00 0.00 56.93 56.75 2fn5 s PHE 6 Cb -0.16 -0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 2fn5 s PHE 6 CO 0.13 -0.05 1.04 -1.25 -0.05 0.00 0.00 175.22 175.04 2fn5 s PRO 7 N -0.43 4.42 -0.31 1.99 0.04 -1.26 -1.71 135.00 137.75 2fn5 s PRO 7 Ca -0.04 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.47 2fn5 s PRO 7 Cb -0.03 -3.53 0.08 0.00 0.04 0.00 0.00 34.50 31.05 2fn5 s PRO 7 CO -0.00 -0.31 -0.01 0.08 0.04 0.00 0.00 177.00 176.80 2fn5 s VAL 8 N 1.94 2.42 -0.60 -0.36 1.01 0.20 -4.96 120.40 120.04 2fn5 s VAL 8 Ca 0.50 -1.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.33 2fn5 s VAL 8 Cb -0.20 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 33.66 2fn5 s VAL 8 CO 0.20 -0.32 0.90 -0.70 0.00 0.00 0.00 175.10 175.17 2fn5 s GLU 9 N 1.05 3.17 0.29 2.72 2.12 -1.25 0.04 118.70 126.84 2fn5 s GLU 9 Ca 0.01 -0.70 -0.07 0.00 0.36 0.00 0.00 54.97 54.57 2fn5 s GLU 9 Cb -0.20 -4.16 -0.06 0.00 0.26 0.00 0.00 34.13 29.97 2fn5 s GLU 9 CO -0.06 -1.63 0.58 -1.17 -0.54 0.00 0.00 175.26 172.45 2fn5 s LEU 10 N 3.77 4.06 -0.62 2.70 2.96 0.12 -4.84 118.68 126.83 2fn5 s LEU 10 Ca 0.23 0.84 0.05 0.00 -0.22 0.00 0.00 54.13 55.03 2fn5 s LEU 10 Cb -0.16 -3.65 0.18 0.00 0.50 0.00 0.00 46.19 43.06 2fn5 s LEU 10 CO 0.13 -0.18 0.49 1.21 -1.32 0.00 0.00 176.35 176.68 2fn5 n GLU 11 N -0.72 1.50 0.00 1.98 2.13 -1.24 -0.52 120.64 123.77 2fn5 n GLU 11 Ca -0.00 -4.16 0.00 0.00 0.66 0.00 0.00 57.16 53.65 2fn5 n GLU 11 Cb 0.53 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2fn5 n GLU 11 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2fn5 n LYS 12 N 1.99 -1.05 -2.58 5.31 4.76 0.16 -4.77 118.16 121.99 2fn5 n LYS 12 Ca 0.23 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.44 2fn5 n LYS 12 Cb 0.39 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.68 2fn5 n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2fn5 s ASP 13 N -1.55 4.49 0.58 4.39 1.11 -1.25 -4.49 116.67 119.94 2fn5 s ASP 13 Ca 0.00 -0.28 0.34 0.00 0.18 0.00 0.00 52.55 52.79 2fn5 s ASP 13 Cb 0.00 -0.18 1.81 0.00 1.07 0.00 0.00 42.92 45.62 2fn5 s ASP 13 CO 0.00 -1.76 2.18 1.05 1.18 0.00 0.00 175.17 177.82 2fn5 h GLU 14 N -0.45 0.00 -0.06 8.23 4.11 -1.97 -1.58 114.58 122.85 2fn5 h GLU 14 Ca -0.37 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.91 2fn5 h GLU 14 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2fn5 h GLU 14 CO 0.43 0.04 -0.61 0.22 0.07 0.00 0.00 179.01 179.16 2fn5 h ASP 15 N 0.00 0.25 0.00 3.06 3.58 -1.93 -3.46 116.42 117.92 2fn5 h ASP 15 Ca -0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2fn5 h ASP 15 Cb 0.21 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2fn5 h ASP 15 CO 0.01 0.79 0.00 0.61 -2.88 0.00 0.00 179.24 177.77 2fn5 n GLY 16 N 0.27 0.62 0.07 -0.78 0.00 -0.59 -4.73 105.19 100.03 2fn5 n GLY 16 Ca -0.02 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 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 1.66 -1.19 0.99 4.77 -1.26 -3.88 117.00 118.09 2fn5 n LEU 17 Ca 0.00 0.57 -0.08 0.00 -0.03 0.00 0.00 56.01 56.47 2fn5 n LEU 17 Cb 0.00 -0.83 0.01 0.00 -2.33 0.00 0.00 43.42 40.27 2fn5 n LEU 17 CO 0.00 -0.46 -0.02 0.61 -1.33 0.00 0.00 177.39 176.19 2fn5 n GLY 18 N 1.61 0.19 4.02 -0.72 0.00 -1.26 -4.59 105.19 104.43 2fn5 n GLY 18 Ca -0.07 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.68 2.18 0.13 -0.61 -4.36 -1.26 -4.22 121.20 110.39 2fn5 s ILE 19 Ca 0.09 -0.83 0.11 0.00 -0.26 0.00 0.00 60.65 59.76 2fn5 s ILE 19 Cb -0.04 -2.36 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 2fn5 s ILE 19 CO 0.11 0.00 -0.26 -0.44 0.24 0.00 0.00 174.94 174.58 2fn5 s SER 20 N -4.68 3.26 0.25 4.36 0.01 0.49 -4.91 113.70 112.48 2fn5 s SER 20 Ca 0.63 -0.75 0.07 0.00 1.31 0.00 0.00 55.95 57.22 2fn5 s SER 20 Cb -0.06 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 2fn5 s SER 20 CO 0.41 0.17 -0.09 0.27 0.41 0.00 0.00 173.24 174.41 2fn5 s ILE 21 N -1.08 1.70 -0.05 1.44 -5.25 -1.26 -0.11 121.20 116.59 2fn5 s ILE 21 Ca 0.14 -2.16 -0.00 0.00 -0.99 0.00 0.00 60.65 57.63 2fn5 s ILE 21 Cb -0.10 -2.31 0.03 0.00 2.95 0.00 0.00 42.46 43.03 2fn5 s ILE 21 CO 0.06 -0.40 -0.01 -0.51 -1.79 0.00 0.00 174.94 172.29 2fn5 s ILE 22 N -2.98 0.33 -0.57 8.37 2.07 0.75 -4.45 121.20 124.72 2fn5 s ILE 22 Ca 0.27 0.05 -0.25 0.00 -1.41 0.00 0.00 60.65 59.31 2fn5 s ILE 22 Cb 0.02 -0.44 0.04 0.00 0.13 0.00 0.00 42.46 42.22 2fn5 s ILE 22 CO 0.10 0.21 0.99 -0.83 -1.91 0.00 0.00 174.94 173.50 2fn5 s GLY 23 N 1.33 1.34 -0.53 1.50 0.00 -1.26 -0.93 107.32 108.77 2fn5 s GLY 23 Ca -0.05 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.46 2fn5 s GLY 23 CO -0.02 2.14 0.28 1.06 0.00 0.00 0.00 173.10 176.56 2fn5 s MET 24 N 4.18 1.96 -0.23 2.90 -1.94 0.81 -4.97 119.30 122.01 2fn5 s MET 24 Ca 0.31 -2.65 -0.32 0.00 -1.71 0.00 0.00 55.69 51.33 2fn5 s MET 24 Cb -0.12 -3.23 -0.08 0.00 2.01 0.00 0.00 34.83 33.40 2fn5 s MET 24 CO 0.19 -1.13 2.15 0.41 -0.01 0.00 0.00 175.02 176.62 2fn5 n GLY 25 N 3.02 0.95 1.98 -0.03 0.00 -1.26 -3.97 105.19 105.89 2fn5 n GLY 25 Ca 0.07 0.85 -0.24 0.00 0.00 0.00 0.00 46.02 46.70 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 7.06 2.92 -1.83 1.61 3.14 -1.26 -4.99 118.33 124.97 2fn5 n VAL 26 Ca 0.32 -3.50 -0.42 0.00 -2.96 0.00 0.00 64.34 57.78 2fn5 n VAL 26 Cb 0.35 -0.99 -0.03 0.00 -1.06 0.00 0.00 33.84 32.11 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 -2.79 1.51 0.00 7.55 0.00 -1.26 -2.70 107.32 109.63 2fn5 s GLY 27 Ca 0.55 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.76 2fn5 s GLY 27 CO 0.02 2.71 0.00 0.00 0.00 0.00 0.00 173.10 175.83 2fn5 n ALA 28 N 3.68 0.00 1.31 3.20 0.00 -1.26 -4.56 120.51 122.88 2fn5 n ALA 28 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.62 2fn5 n ALA 28 Cb 0.37 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.10 2fn5 n ALA 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2fn5 n ASP 29 N 1.58 0.00 0.00 0.00 8.00 -1.21 -0.65 116.55 124.27 2fn5 n ASP 29 Ca 0.00 -1.02 0.11 0.00 0.71 0.00 0.00 54.79 54.58 2fn5 n ASP 29 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.72 4.14 0.00 2.24 0.00 -1.10 -4.98 120.51 120.09 2fn5 n ALA 30 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2fn5 n ALA 30 Cb 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.44 1.63 0.15 0.00 0.00 0.17 -4.35 105.19 104.22 2fn5 n GLY 31 Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -2.36 0.99 4.07 -1.94 -3.49 115.31 112.58 2fn5 h LEU 32 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2fn5 h LEU 32 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2fn5 h LEU 32 CO 0.00 0.50 -1.06 -0.62 -1.08 0.00 0.00 178.44 176.18 2fn5 n GLU 33 N -3.30 -3.10 -3.47 1.13 1.02 -1.26 -5.04 120.64 106.63 2fn5 n GLU 33 Ca 0.01 2.53 -0.15 0.00 -0.02 0.00 0.00 57.16 59.54 2fn5 n GLU 33 Cb 0.69 -4.44 -0.05 0.00 -0.02 0.00 0.00 31.44 27.63 2fn5 n GLU 33 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2fn5 n LYS 34 N 1.06 0.54 -0.67 3.49 0.00 -1.26 -5.00 118.16 116.33 2fn5 n LYS 34 Ca -0.07 -2.14 -0.31 0.00 -0.00 0.00 0.00 58.31 55.79 2fn5 n LYS 34 Cb 0.20 1.37 0.17 0.00 -0.00 0.00 0.00 35.03 36.77 2fn5 n LYS 34 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2fn5 n LEU 35 N 0.00 2.36 -0.50 -5.58 -0.00 -1.26 -4.63 117.00 107.40 2fn5 n LEU 35 Ca -0.01 0.34 0.07 0.00 -0.00 0.00 0.00 56.01 56.42 2fn5 n LEU 35 Cb 0.38 -1.42 0.17 0.00 -0.00 0.00 0.00 43.42 42.55 2fn5 n LEU 35 CO 0.20 -2.46 0.40 0.61 -0.00 0.00 0.00 177.39 176.14 2fn5 n GLY 36 N 0.52 4.62 3.50 1.47 0.00 -1.25 -4.74 105.19 109.30 2fn5 n GLY 36 Ca 0.10 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.80 4.19 0.37 -0.61 -1.09 -1.26 -0.13 121.20 119.87 2fn5 s ILE 37 Ca 0.35 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.83 2fn5 s ILE 37 Cb 0.33 -4.70 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 2fn5 s ILE 37 CO -0.04 -1.45 0.56 -0.36 -1.23 0.00 0.00 174.94 172.42 2fn5 s PHE 38 N 4.46 3.37 -0.13 3.97 0.08 -0.11 -2.31 117.98 127.30 2fn5 s PHE 38 Ca 0.28 0.22 -0.29 0.00 0.12 0.00 0.00 56.93 57.26 2fn5 s PHE 38 Cb -0.13 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.30 2fn5 s PHE 38 CO 0.14 -0.01 1.13 0.08 -0.10 0.00 0.00 175.22 176.46 2fn5 s VAL 39 N -2.35 4.49 -0.18 -0.44 1.01 -0.11 -0.17 120.40 122.66 2fn5 s VAL 39 Ca 0.43 1.79 -0.25 0.00 0.00 0.00 0.00 61.98 63.95 2fn5 s VAL 39 Cb -0.10 -4.16 -0.22 0.00 0.00 0.00 0.00 36.38 31.91 2fn5 s VAL 39 CO 0.35 -0.07 0.46 0.50 0.00 0.00 0.00 175.10 176.34 2fn5 h LYS 40 N 7.54 0.01 -3.34 2.72 3.64 -0.73 -3.43 116.57 122.99 2fn5 h LYS 40 Ca -0.28 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.00 2fn5 h LYS 40 Cb 1.12 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.79 2fn5 h LYS 40 CO 0.92 1.01 -0.20 0.99 -2.27 0.00 0.00 179.45 179.89 2fn5 s THR 41 N -2.31 0.08 0.05 1.00 2.01 -0.93 -4.95 115.64 110.60 2fn5 s THR 41 Ca -0.24 -0.68 0.07 0.00 0.31 0.00 0.00 61.69 61.14 2fn5 s THR 41 Cb 0.02 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 2fn5 s THR 41 CO 0.64 -0.38 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.31 2fn5 s VAL 42 N -2.95 1.55 0.57 3.82 1.01 -1.26 -0.38 120.40 122.77 2fn5 s VAL 42 Ca -0.02 -1.22 -0.20 0.00 0.00 0.00 0.00 61.98 60.54 2fn5 s VAL 42 Cb 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2fn5 s VAL 42 CO -0.06 0.12 1.13 1.07 0.00 0.00 0.00 175.10 177.36 2fn5 n THR 43 N 1.73 3.76 -0.03 3.92 5.66 -1.26 -4.93 114.28 123.13 2fn5 n THR 43 Ca -0.18 -0.50 -0.02 0.00 -3.05 0.00 0.00 64.05 60.30 2fn5 n THR 43 Cb 0.54 -1.35 -0.01 0.00 -1.55 0.00 0.00 70.33 67.95 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 0.89 -0.03 -0.37 1.09 4.81 -1.95 -3.39 114.58 115.63 2fn5 h GLU 44 Ca -0.49 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.47 2fn5 h GLU 44 Cb 1.34 0.01 -0.22 0.00 0.63 0.00 0.00 28.75 30.51 2fn5 h GLU 44 CO 0.54 -0.02 -0.61 0.41 -0.73 0.00 0.00 179.01 178.59 2fn5 n GLY 45 N -1.05 1.40 0.00 1.92 0.00 -1.26 -4.77 105.19 101.44 2fn5 n GLY 45 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.20 1.18 1.22 -0.02 0.00 -1.26 -4.74 105.19 101.37 2fn5 n GLY 46 Ca 0.04 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 2.63 0.01 4.61 0.00 -1.26 -1.15 120.51 122.36 2fn5 n ALA 47 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2fn5 n ALA 47 Cb 0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 2fn5 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fn5 n ALA 48 N 0.98 2.55 0.17 0.00 0.00 -1.26 -4.13 120.51 118.83 2fn5 n ALA 48 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.40 2fn5 n ALA 48 Cb 0.37 0.09 0.25 0.00 0.00 0.00 0.00 19.45 20.17 2fn5 n ALA 48 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2fn5 h GLN 49 N -0.08 0.00 0.00 0.00 4.20 -1.77 -1.59 115.11 115.88 2fn5 h GLN 49 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2fn5 h GLN 49 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2fn5 h GLN 49 CO 0.00 0.43 -0.32 0.00 -0.67 0.00 0.00 178.83 178.27 2fn5 h ARG 50 N 0.00 0.00 0.23 1.46 2.47 -1.42 -3.18 114.38 113.94 2fn5 h ARG 50 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2fn5 h ARG 50 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 2fn5 h ARG 50 CO 0.06 0.32 -0.11 0.22 0.56 0.00 0.00 179.97 181.01 2fn5 h ASP 51 N 0.00 -0.26 0.00 7.04 1.82 -1.57 -3.48 116.42 119.97 2fn5 h ASP 51 Ca -0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 2fn5 h ASP 51 Cb 0.70 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.77 2fn5 h ASP 51 CO 0.04 0.25 0.00 0.61 -1.61 0.00 0.00 179.24 178.54 2fn5 n GLY 52 N 0.72 3.37 0.22 -0.78 0.00 -0.66 -4.86 105.19 103.20 2fn5 n GLY 52 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 2.42 0.00 -6.12 1.61 1.12 -1.92 -3.42 114.38 108.07 2fn5 h ARG 53 Ca 0.00 0.00 -0.64 0.00 -1.11 0.00 0.00 59.98 58.23 2fn5 h ARG 53 Cb 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 29.87 2fn5 h ARG 53 CO 0.00 0.20 -0.59 -1.50 -3.11 0.00 0.00 179.97 174.97 2fn5 s ILE 54 N -3.49 4.63 0.25 1.20 2.07 -1.26 -5.10 121.20 119.51 2fn5 s ILE 54 Ca 0.02 -0.66 0.04 0.00 -1.41 0.00 0.00 60.65 58.64 2fn5 s ILE 54 Cb 0.09 -3.21 -0.05 0.00 0.13 0.00 0.00 42.46 39.41 2fn5 s ILE 54 CO 0.64 0.18 -0.01 -1.10 -1.91 0.00 0.00 174.94 172.74 2fn5 s GLN 55 N -2.25 1.43 0.00 3.50 -1.52 -1.26 -4.79 119.66 114.76 2fn5 s GLN 55 Ca 0.28 -1.73 0.28 0.00 -1.95 0.00 0.00 55.36 52.24 2fn5 s GLN 55 Cb -0.12 -0.77 1.05 0.00 -0.22 0.00 0.00 33.01 32.95 2fn5 s GLN 55 CO 0.21 -0.08 1.79 1.55 -0.25 0.00 0.00 175.29 178.50 2fn5 n VAL 56 N -0.49 0.00 -0.74 1.09 3.14 -1.26 -3.37 118.33 116.70 2fn5 n VAL 56 Ca -0.05 -0.01 0.08 0.00 -2.96 0.00 0.00 64.34 61.41 2fn5 n VAL 56 Cb 0.64 -0.23 0.35 0.00 -1.06 0.00 0.00 33.84 33.54 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 -1.40 4.86 -4.90 6.55 2.85 -1.26 -4.24 115.26 117.71 2fn5 n ASN 57 Ca 0.08 -2.66 -0.21 0.00 -0.11 0.00 0.00 54.58 51.69 2fn5 n ASN 57 Cb 0.32 -0.59 0.05 0.00 1.24 0.00 0.00 39.78 40.81 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 0.71 2.23 -3.97 1.20 8.00 -1.22 -4.93 116.55 118.57 2fn5 n ASP 58 Ca 0.25 -2.60 -0.26 0.00 0.71 0.00 0.00 54.79 52.89 2fn5 n ASP 58 Cb 0.97 -0.34 -0.17 0.00 -0.02 0.00 0.00 41.12 41.55 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 -4.54 1.68 -0.83 -1.24 0.74 -1.26 -0.93 119.66 113.28 2fn5 s GLN 59 Ca 0.54 -0.36 -0.25 0.00 0.05 0.00 0.00 55.36 55.34 2fn5 s GLN 59 Cb -0.04 -1.54 0.01 0.00 1.10 0.00 0.00 33.01 32.54 2fn5 s GLN 59 CO 0.35 -0.12 1.55 0.42 -0.55 0.00 0.00 175.29 176.94 2fn5 s ILE 60 N 1.17 3.66 0.00 -2.34 -1.09 -0.98 -3.96 121.20 117.67 2fn5 s ILE 60 Ca -0.05 -0.11 -0.18 0.00 -2.23 0.00 0.00 60.65 58.08 2fn5 s ILE 60 Cb -0.14 -4.62 -0.32 0.00 -1.58 0.00 0.00 42.46 35.79 2fn5 s ILE 60 CO -0.02 -1.55 0.98 0.58 -1.23 0.00 0.00 174.94 173.69 2fn5 h VAL 61 N 6.63 1.38 -2.69 2.92 2.07 -1.87 -3.46 116.25 121.23 2fn5 h VAL 61 Ca -0.07 -2.56 -0.12 0.00 0.82 0.00 0.00 66.70 64.76 2fn5 h VAL 61 Cb 1.05 3.03 -0.26 0.00 -1.52 0.00 0.00 31.29 33.59 2fn5 h VAL 61 CO 1.30 0.75 -0.31 -0.70 0.02 0.00 0.00 177.57 178.64 2fn5 s GLU 62 N -2.62 0.39 -0.11 1.57 2.12 -1.20 -3.43 118.70 115.40 2fn5 s GLU 62 Ca -0.11 0.74 0.02 0.00 0.36 0.00 0.00 54.97 55.98 2fn5 s GLU 62 Cb 0.03 -0.00 0.01 0.00 0.26 0.00 0.00 34.13 34.43 2fn5 s GLU 62 CO 0.89 -0.15 -0.18 0.08 -0.54 0.00 0.00 175.26 175.37 2fn5 s VAL 63 N 1.26 1.68 0.00 3.70 1.01 -1.25 0.24 120.40 127.03 2fn5 s VAL 63 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2fn5 s VAL 63 Cb -0.08 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2fn5 s VAL 63 CO -0.11 0.48 0.00 -0.67 0.00 0.00 0.00 175.10 174.80 2fn5 n ASP 64 N 4.07 -2.50 0.00 3.32 2.03 0.40 -0.51 116.55 123.36 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 0.51 -1.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 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 -1.40 0.70 0.16 0.27 0.00 -1.26 -4.94 105.19 98.73 2fn5 n GLY 65 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -6.51 -0.61 2.10 -1.17 -3.48 117.51 107.85 2fn5 h ILE 66 Ca 0.00 -0.58 -0.37 0.00 1.08 0.00 0.00 64.86 64.99 2fn5 h ILE 66 Cb 0.00 1.54 0.02 0.00 -1.09 0.00 0.00 36.82 37.29 2fn5 h ILE 66 CO 0.00 0.00 -1.20 -1.20 -1.08 0.00 0.00 178.15 174.67 2fn5 n SER 67 N -2.58 -5.46 -1.64 2.19 7.64 -1.26 -4.85 113.62 107.66 2fn5 n SER 67 Ca 0.04 -0.13 -0.12 0.00 1.01 0.00 0.00 58.87 59.67 2fn5 n SER 67 Cb 0.41 -1.57 0.08 0.00 -1.01 0.00 0.00 64.21 62.12 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 -0.08 5.10 -4.58 -3.43 -0.00 -1.22 -4.87 117.00 107.91 2fn5 n LEU 68 Ca -0.08 -2.65 -0.41 0.00 -0.00 0.00 0.00 56.01 52.86 2fn5 n LEU 68 Cb 0.67 -0.73 -0.03 0.00 -0.00 0.00 0.00 43.42 43.33 2fn5 n LEU 68 CO 0.52 0.85 1.48 -0.69 -0.00 0.00 0.00 177.39 179.55 2fn5 s VAL 69 N -1.70 3.53 0.00 1.47 1.01 -1.25 -2.38 120.40 121.09 2fn5 s VAL 69 Ca 0.28 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2fn5 s VAL 69 Cb 0.23 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2fn5 s VAL 69 CO 0.04 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 175.05 2fn5 n GLY 70 N 5.44 1.16 4.01 4.51 0.00 -1.26 -4.78 105.19 114.27 2fn5 n GLY 70 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 2.35 0.64 1.61 -7.23 -1.00 -5.00 120.40 109.76 2fn5 s VAL 71 Ca 0.00 -0.83 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 2fn5 s VAL 71 Cb 0.00 -2.52 0.07 0.00 0.56 0.00 0.00 36.38 34.50 2fn5 s VAL 71 CO 0.00 0.00 0.89 0.42 -0.31 0.00 0.00 175.10 176.10 2fn5 s THR 72 N -2.78 2.41 0.40 5.32 -4.23 -1.26 -4.80 115.64 110.71 2fn5 s THR 72 Ca 0.62 -0.58 0.07 0.00 -1.18 0.00 0.00 61.69 60.62 2fn5 s THR 72 Cb -0.07 -2.83 0.23 0.00 1.34 0.00 0.00 72.50 71.17 2fn5 s THR 72 CO 0.40 0.00 2.01 0.06 -0.54 0.00 0.00 174.62 176.55 2fn5 h GLN 73 N -0.26 0.47 -0.05 3.99 -0.00 -1.94 -1.43 115.11 115.89 2fn5 h GLN 73 Ca -0.40 -0.05 -0.16 0.00 -0.00 0.00 0.00 58.65 58.04 2fn5 h GLN 73 Cb 1.29 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 28.66 2fn5 h GLN 73 CO 0.49 0.37 -0.68 -2.95 -0.00 0.00 0.00 178.83 176.06 2fn5 h ASN 74 N 0.47 0.29 -0.01 0.06 7.08 -1.98 0.29 115.58 121.78 2fn5 h ASN 74 Ca 0.12 -0.19 -0.00 0.00 -3.08 0.00 0.00 56.30 53.15 2fn5 h ASN 74 Cb 0.06 -0.09 -0.00 0.00 -2.08 0.00 0.00 38.32 36.22 2fn5 h ASN 74 CO -0.02 0.89 -0.01 0.15 -2.08 0.00 0.00 177.43 176.36 2fn5 h PHE 75 N 0.17 0.03 -0.17 4.14 3.04 -1.82 -2.57 116.94 119.78 2fn5 h PHE 75 Ca -0.02 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.94 2fn5 h PHE 75 Cb 1.22 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.70 2fn5 h PHE 75 CO 0.03 0.52 0.03 0.00 -2.02 0.00 0.00 178.31 176.86 2fn5 h ALA 76 N 0.51 0.16 -0.81 2.41 0.00 -1.11 -1.72 119.26 118.70 2fn5 h ALA 76 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2fn5 h ALA 76 Cb 0.51 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2fn5 h ALA 76 CO 0.00 -0.41 0.53 0.00 0.00 0.00 0.00 179.25 179.37 2fn5 h ALA 77 N 1.12 1.77 -0.36 0.00 0.00 -0.48 0.67 119.26 121.98 2fn5 h ALA 77 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2fn5 h ALA 77 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2fn5 h ALA 77 CO -0.10 0.06 0.14 1.15 0.00 0.00 0.00 179.25 180.49 2fn5 h THR 78 N 0.73 1.19 -0.01 0.00 2.02 -0.92 -0.96 112.91 114.97 2fn5 h THR 78 Ca 0.38 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2fn5 h THR 78 Cb 0.49 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2fn5 h THR 78 CO -0.15 0.21 0.00 0.58 0.37 0.00 0.00 175.52 176.53 2fn5 h VAL 79 N 0.43 1.20 0.00 3.16 2.07 -0.25 -0.89 116.25 121.97 2fn5 h VAL 79 Ca 0.12 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2fn5 h VAL 79 Cb 0.20 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2fn5 h VAL 79 CO -0.01 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.92 2fn5 n LEU 80 N -4.96 0.00 -0.08 2.57 7.99 0.06 -1.81 117.00 120.76 2fn5 n LEU 80 Ca -0.08 0.24 -0.23 0.00 -0.01 0.00 0.00 56.01 55.94 2fn5 n LEU 80 Cb 0.15 -0.24 -0.12 0.00 -0.11 0.00 0.00 43.42 43.09 2fn5 n LEU 80 CO 0.33 -0.12 -0.79 -1.14 -1.51 0.00 0.00 177.39 174.15 2fn5 n ARG 81 N -1.24 0.63 0.00 3.23 0.63 -0.37 -4.08 116.66 115.45 2fn5 n ARG 81 Ca 0.08 0.42 0.06 0.00 -0.92 0.00 0.00 57.85 57.48 2fn5 n ARG 81 Cb 0.11 -1.68 0.36 0.00 0.45 0.00 0.00 32.46 31.69 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 -4.07 0.00 -4.73 6.15 3.02 -0.37 -4.76 115.26 110.50 2fn5 n ASN 82 Ca -0.36 -1.36 -0.34 0.00 -0.03 0.00 0.00 54.58 52.48 2fn5 n ASN 82 Cb 0.83 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 40.09 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 -2.00 2.43 0.00 3.41 -4.23 -1.05 -5.06 115.64 109.15 2fn5 s THR 83 Ca 0.18 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2fn5 s THR 83 Cb 0.08 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2fn5 s THR 83 CO 0.14 -0.12 0.00 0.29 -0.54 0.00 0.00 174.62 174.39 2fn5 n LYS 84 N -2.67 3.57 0.10 3.99 4.76 -1.26 -4.31 118.16 122.34 2fn5 n LYS 84 Ca 0.13 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.53 2fn5 n LYS 84 Cb 0.50 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.67 2fn5 n LYS 84 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2fn5 h GLY 85 N 0.00 -0.38 -5.70 0.72 0.00 -1.79 -3.41 103.07 92.51 2fn5 h GLY 85 Ca 0.00 0.15 -0.59 0.00 0.00 0.00 0.00 47.33 46.89 2fn5 h GLY 85 CO 0.00 -0.14 0.62 -1.31 0.00 0.00 0.00 176.54 175.71 2fn5 s ASN 86 N -2.44 6.88 -0.06 0.19 -0.87 -1.25 0.38 114.94 117.77 2fn5 s ASN 86 Ca -0.04 1.04 0.02 0.00 -1.57 0.00 0.00 52.86 52.31 2fn5 s ASN 86 Cb 0.00 -2.48 0.02 0.00 -0.02 0.00 0.00 41.25 38.77 2fn5 s ASN 86 CO 0.12 -0.66 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.21 2fn5 s VAL 87 N 3.13 0.92 -0.59 1.60 1.01 0.32 -4.94 120.40 121.86 2fn5 s VAL 87 Ca 0.39 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 2fn5 s VAL 87 Cb -0.14 -0.87 0.10 0.00 0.00 0.00 0.00 36.38 35.47 2fn5 s VAL 87 CO 0.10 0.31 0.71 -0.13 0.00 0.00 0.00 175.10 176.09 2fn5 s ARG 88 N 0.74 3.05 -0.40 2.72 0.52 -1.26 0.12 118.95 124.45 2fn5 s ARG 88 Ca -0.14 -1.25 -0.18 0.00 -0.52 0.00 0.00 55.73 53.65 2fn5 s ARG 88 Cb -0.15 -4.25 0.01 0.00 0.52 0.00 0.00 34.95 31.08 2fn5 s ARG 88 CO 0.03 -1.52 0.48 -0.06 0.02 0.00 0.00 175.30 174.24 2fn5 s PHE 89 N 2.76 3.16 -1.05 -0.53 0.08 0.11 -0.45 117.98 122.05 2fn5 s PHE 89 Ca 0.12 -0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.02 2fn5 s PHE 89 Cb -0.23 -2.95 0.31 0.00 -0.57 0.00 0.00 43.02 39.58 2fn5 s PHE 89 CO 0.07 -0.65 1.62 0.28 -0.10 0.00 0.00 175.22 176.44 2fn5 n VAL 90 N 5.48 5.63 -2.30 -0.44 0.31 0.14 0.59 118.33 127.75 2fn5 n VAL 90 Ca -0.06 -5.95 -0.33 0.00 -0.01 0.00 0.00 64.34 57.99 2fn5 n VAL 90 Cb 0.48 -1.84 -0.02 0.00 -0.91 0.00 0.00 33.84 31.56 2fn5 n VAL 90 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2fn5 s ILE 91 N -3.50 4.15 0.06 2.52 1.01 -0.69 -3.28 121.20 121.48 2fn5 s ILE 91 Ca 0.35 1.08 0.05 0.00 0.00 0.00 0.00 60.65 62.12 2fn5 s ILE 91 Cb 0.11 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 2fn5 s ILE 91 CO 0.00 -0.54 -0.14 -0.83 0.00 0.00 0.00 174.94 173.43 2fn5 s GLY 92 N -2.79 0.82 -0.12 6.18 0.00 -1.25 0.24 107.32 110.40 2fn5 s GLY 92 Ca 0.62 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 44.38 2fn5 s GLY 92 CO 0.31 -0.97 -0.08 -1.60 0.00 0.00 0.00 173.10 170.76 2fn5 s ARG 93 N -1.63 3.29 0.00 2.90 3.00 -0.35 -4.38 118.95 121.78 2fn5 s ARG 93 Ca -0.02 -0.59 0.26 0.00 -1.00 0.00 0.00 55.73 54.38 2fn5 s ARG 93 Cb -0.10 -2.72 0.70 0.00 0.00 0.00 0.00 34.95 32.84 2fn5 s ARG 93 CO 0.02 0.36 1.55 0.39 0.00 0.00 0.00 175.30 177.62