#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 -2.78 -2.76 1.61 -0.00 -1.25 -4.77 115.22 105.27 2fn5 n HIS 2 Ca 0.00 1.47 -0.42 0.00 -0.00 0.00 0.00 57.72 58.77 2fn5 n HIS 2 Cb 0.00 -2.61 -0.04 0.00 -0.00 0.00 0.00 29.99 27.34 2fn5 n HIS 2 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2fn5 s MET 3 N -4.39 3.29 -0.62 1.57 0.00 -1.26 -4.31 119.30 113.58 2fn5 s MET 3 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 55.69 55.12 2fn5 s MET 3 Cb 0.00 -4.10 0.03 0.00 0.00 0.00 0.00 34.83 30.76 2fn5 s MET 3 CO 0.00 -1.68 1.22 -2.00 0.00 0.00 0.00 175.02 172.56 2fn5 s GLU 4 N 4.40 3.43 -0.00 4.11 2.12 0.82 -4.80 118.70 128.77 2fn5 s GLU 4 Ca 0.31 0.14 -0.28 0.00 0.36 0.00 0.00 54.97 55.50 2fn5 s GLU 4 Cb -0.12 -4.06 -0.03 0.00 0.26 0.00 0.00 34.13 30.18 2fn5 s GLU 4 CO 0.18 -1.81 0.90 -0.51 -0.54 0.00 0.00 175.26 173.48 2fn5 s LEU 5 N 5.20 4.37 0.00 2.70 2.01 -1.26 -0.97 118.68 130.73 2fn5 s LEU 5 Ca 0.41 1.55 0.01 0.00 0.01 0.00 0.00 54.13 56.12 2fn5 s LEU 5 Cb -0.08 -3.44 -0.01 0.00 0.01 0.00 0.00 46.19 42.67 2fn5 s LEU 5 CO 0.23 -0.20 -0.04 0.72 1.01 0.00 0.00 176.35 178.07 2fn5 s PHE 6 N 0.84 0.37 -0.01 0.29 -0.12 0.13 -4.94 117.98 114.53 2fn5 s PHE 6 Ca 0.48 -0.13 -0.30 0.00 -0.05 0.00 0.00 56.93 56.92 2fn5 s PHE 6 Cb -0.20 -0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 41.92 2fn5 s PHE 6 CO 0.26 -0.02 1.07 -1.25 -0.05 0.00 0.00 175.22 175.22 2fn5 s PRO 7 N -0.31 4.48 -0.44 1.99 0.04 -1.26 -1.64 135.00 137.86 2fn5 s PRO 7 Ca -0.01 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.61 2fn5 s PRO 7 Cb -0.03 -3.45 0.12 0.00 0.04 0.00 0.00 34.50 31.18 2fn5 s PRO 7 CO -0.00 -0.19 0.18 0.08 0.04 0.00 0.00 177.00 177.10 2fn5 s VAL 8 N 1.32 2.57 -0.40 -0.36 1.01 0.16 -4.92 120.40 119.78 2fn5 s VAL 8 Ca 0.54 -2.80 -0.29 0.00 0.00 0.00 0.00 61.98 59.42 2fn5 s VAL 8 Cb -0.23 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.35 2fn5 s VAL 8 CO 0.26 -0.71 1.20 -0.70 0.00 0.00 0.00 175.10 175.15 2fn5 s GLU 9 N 0.32 3.81 -0.24 2.72 2.12 -1.25 0.22 118.70 126.40 2fn5 s GLU 9 Ca 0.14 0.87 -0.13 0.00 0.36 0.00 0.00 54.97 56.21 2fn5 s GLU 9 Cb -0.22 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 2fn5 s GLU 9 CO -0.04 -1.26 0.28 -1.17 -0.54 0.00 0.00 175.26 172.53 2fn5 s LEU 10 N 4.43 4.09 -0.87 2.70 1.98 0.13 -4.88 118.68 126.26 2fn5 s LEU 10 Ca 0.51 0.24 -0.17 0.00 -2.89 0.00 0.00 54.13 51.83 2fn5 s LEU 10 Cb -0.11 -2.30 0.17 0.00 0.66 0.00 0.00 46.19 44.61 2fn5 s LEU 10 CO 0.27 -0.05 0.95 -0.70 -1.89 0.00 0.00 176.35 174.92 2fn5 s GLU 11 N 1.48 3.58 0.39 1.98 2.12 -1.26 -0.94 118.70 126.05 2fn5 s GLU 11 Ca 0.12 -2.06 0.01 0.00 0.36 0.00 0.00 54.97 53.40 2fn5 s GLU 11 Cb -0.15 -4.67 0.08 0.00 0.26 0.00 0.00 34.13 29.65 2fn5 s GLU 11 CO 0.08 -1.55 0.54 1.63 -0.54 0.00 0.00 175.26 175.42 2fn5 n LYS 12 N 5.38 0.32 -0.89 4.30 4.76 0.21 -4.87 118.16 127.35 2fn5 n LYS 12 Ca 0.18 -1.56 -0.06 0.00 -2.87 0.00 0.00 58.31 54.00 2fn5 n LYS 12 Cb 0.48 -0.33 0.04 0.00 -1.84 0.00 0.00 35.03 33.38 2fn5 n LYS 12 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2fn5 n ASP 13 N -2.89 0.23 0.23 4.39 5.75 -1.26 -4.32 116.55 118.69 2fn5 n ASP 13 Ca 0.09 -1.23 0.13 0.00 -0.01 0.00 0.00 54.79 53.77 2fn5 n ASP 13 Cb 0.33 -0.19 0.30 0.00 -1.03 0.00 0.00 41.12 40.53 2fn5 n ASP 13 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2fn5 h GLU 14 N 0.00 0.00 -0.07 0.11 4.11 -1.98 -2.88 114.58 113.87 2fn5 h GLU 14 Ca -0.09 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.14 2fn5 h GLU 14 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2fn5 h GLU 14 CO 0.08 0.02 -0.78 0.22 0.07 0.00 0.00 179.01 178.63 2fn5 h ASP 15 N 0.00 0.54 0.00 3.06 3.58 -1.96 -3.46 116.42 118.17 2fn5 h ASP 15 Ca -0.00 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2fn5 h ASP 15 Cb 0.89 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2fn5 h ASP 15 CO 0.00 1.12 0.00 0.61 -2.88 0.00 0.00 179.24 178.10 2fn5 n GLY 16 N 0.65 0.19 0.70 -0.78 0.00 -1.17 -4.70 105.19 100.07 2fn5 n GLY 16 Ca -0.05 -1.37 -0.07 0.00 0.00 0.00 0.00 46.02 44.52 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 1.03 -0.82 0.99 4.77 -1.26 -4.23 117.00 117.48 2fn5 n LEU 17 Ca 0.00 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2fn5 n LEU 17 Cb 0.00 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 2fn5 n LEU 17 CO 0.00 -0.15 -0.09 0.61 -1.33 0.00 0.00 177.39 176.43 2fn5 n GLY 18 N 2.55 0.28 4.00 -0.72 0.00 -1.26 -4.30 105.19 105.73 2fn5 n GLY 18 Ca -0.13 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.37 2.27 0.06 -0.61 -4.36 -1.26 -3.82 121.20 111.11 2fn5 s ILE 19 Ca 0.00 -0.73 0.04 0.00 -0.26 0.00 0.00 60.65 59.70 2fn5 s ILE 19 Cb 0.00 -2.54 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 2fn5 s ILE 19 CO 0.00 0.00 -0.12 -0.44 0.24 0.00 0.00 174.94 174.62 2fn5 s SER 20 N -4.65 1.43 0.28 4.36 0.01 0.50 -4.93 113.70 110.70 2fn5 s SER 20 Ca 0.63 -0.61 0.12 0.00 1.31 0.00 0.00 55.95 57.40 2fn5 s SER 20 Cb -0.06 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 2fn5 s SER 20 CO 0.41 -0.12 -0.20 0.27 0.41 0.00 0.00 173.24 174.01 2fn5 s ILE 21 N -1.37 2.47 -0.07 1.44 -5.25 -1.26 -0.04 121.20 117.13 2fn5 s ILE 21 Ca -0.04 -2.40 0.04 0.00 -0.99 0.00 0.00 60.65 57.26 2fn5 s ILE 21 Cb -0.10 -2.29 0.00 0.00 2.95 0.00 0.00 42.46 43.02 2fn5 s ILE 21 CO 0.02 -0.40 -0.19 -0.51 -1.79 0.00 0.00 174.94 172.07 2fn5 s ILE 22 N -2.50 1.62 -0.86 8.37 2.07 0.93 -4.53 121.20 126.31 2fn5 s ILE 22 Ca 0.30 -0.79 -0.19 0.00 -1.41 0.00 0.00 60.65 58.56 2fn5 s ILE 22 Cb -0.05 -1.41 0.12 0.00 0.13 0.00 0.00 42.46 41.25 2fn5 s ILE 22 CO 0.15 0.46 1.06 -0.83 -1.91 0.00 0.00 174.94 173.87 2fn5 s GLY 23 N 0.30 1.83 0.52 1.50 0.00 -1.26 -1.81 107.32 108.40 2fn5 s GLY 23 Ca -0.12 -2.58 0.05 0.00 0.00 0.00 0.00 44.72 42.07 2fn5 s GLY 23 CO 0.05 1.98 0.44 1.03 0.00 0.00 0.00 173.10 176.60 2fn5 n MET 24 N 6.69 0.72 -3.64 2.90 2.81 0.21 -4.94 117.12 121.86 2fn5 n MET 24 Ca 0.17 -3.16 -0.29 0.00 -1.81 0.00 0.00 57.70 52.60 2fn5 n MET 24 Cb 0.48 0.25 -0.13 0.00 -0.71 0.00 0.00 33.22 33.11 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 -4.12 1.23 -1.13 3.03 0.00 -1.26 -2.52 107.32 102.54 2fn5 s GLY 25 Ca 0.34 -2.07 -0.08 0.00 0.00 0.00 0.00 44.72 42.91 2fn5 s GLY 25 CO 0.21 1.74 1.38 1.55 0.00 0.00 0.00 173.10 177.98 2fn5 n VAL 26 N 4.12 4.81 -2.47 1.40 3.14 -1.26 -4.90 118.33 123.17 2fn5 n VAL 26 Ca 0.06 -5.42 0.00 0.00 -2.96 0.00 0.00 64.34 56.02 2fn5 n VAL 26 Cb 0.37 -2.36 0.00 0.00 -1.06 0.00 0.00 33.84 30.80 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 2.33 2.52 5.11 7.55 0.00 -1.24 -2.49 105.19 118.97 2fn5 n GLY 27 Ca 0.28 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.00 0.00 0.77 4.61 0.00 -1.26 -1.19 120.51 120.43 2fn5 n ALA 28 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2fn5 n ALA 28 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 2.11 0.65 -4.36 0.00 2.03 -1.26 -4.53 116.55 111.18 2fn5 n ASP 29 Ca 0.00 -0.34 -0.45 0.00 0.52 0.00 0.00 54.79 54.52 2fn5 n ASP 29 Cb 0.00 0.65 -0.05 0.00 -0.72 0.00 0.00 41.12 41.01 2fn5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fn5 s ALA 30 N -3.11 3.46 -0.27 -1.67 0.00 -0.33 -4.92 121.76 114.92 2fn5 s ALA 30 Ca 0.07 -2.30 0.00 0.00 0.00 0.00 0.00 51.96 49.73 2fn5 s ALA 30 Cb 0.15 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2fn5 s ALA 30 CO 0.78 -2.30 0.00 0.41 0.00 0.00 0.00 175.76 174.65 2fn5 n GLY 31 N 5.27 0.00 0.09 0.00 0.00 -1.26 -1.73 105.19 107.55 2fn5 n GLY 31 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 0.16 2.26 -3.36 0.99 4.77 -1.26 -5.06 117.00 115.50 2fn5 n LEU 32 Ca 0.00 -0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 55.73 2fn5 n LEU 32 Cb 0.00 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 2fn5 n LEU 32 CO 0.00 0.69 -0.03 -0.62 -1.33 0.00 0.00 177.39 176.10 2fn5 n GLU 33 N -2.90 -1.72 -1.81 3.23 1.02 -0.70 -4.99 120.64 112.77 2fn5 n GLU 33 Ca -0.30 1.36 -0.02 0.00 -0.02 0.00 0.00 57.16 58.17 2fn5 n GLU 33 Cb 0.87 -3.84 -0.00 0.00 -0.02 0.00 0.00 31.44 28.45 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 -1.46 0.19 -1.65 3.49 2.85 -1.04 -4.94 118.16 115.61 2fn5 n LYS 34 Ca -0.10 -0.52 -0.35 0.00 -1.05 0.00 0.00 58.31 56.29 2fn5 n LYS 34 Cb 0.60 0.57 0.07 0.00 -0.65 0.00 0.00 35.03 35.62 2fn5 n LYS 34 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2fn5 s LEU 35 N 0.00 3.46 -0.28 -5.58 0.05 -1.26 -4.06 118.68 111.01 2fn5 s LEU 35 Ca 0.05 2.40 0.09 0.00 0.05 0.00 0.00 54.13 56.71 2fn5 s LEU 35 Cb -0.01 -4.60 0.46 0.00 -2.05 0.00 0.00 46.19 40.00 2fn5 s LEU 35 CO 0.03 -2.02 1.34 0.61 -0.55 0.00 0.00 176.35 175.76 2fn5 n GLY 36 N 0.48 5.36 3.56 -3.48 0.00 -1.05 -4.26 105.19 105.80 2fn5 n GLY 36 Ca 0.14 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.60 3.99 0.25 -0.61 -1.09 -1.25 -0.62 121.20 118.27 2fn5 s ILE 37 Ca 0.44 0.60 0.06 0.00 -2.23 0.00 0.00 60.65 59.52 2fn5 s ILE 37 Cb 0.40 -4.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 2fn5 s ILE 37 CO -0.02 -1.48 0.30 -0.36 -1.23 0.00 0.00 174.94 172.15 2fn5 s PHE 38 N 5.01 3.31 -0.07 3.97 0.08 -0.75 -2.26 117.98 127.27 2fn5 s PHE 38 Ca 0.38 -0.06 -0.30 0.00 0.12 0.00 0.00 56.93 57.07 2fn5 s PHE 38 Cb -0.09 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 2fn5 s PHE 38 CO 0.21 0.46 1.26 0.08 -0.10 0.00 0.00 175.22 177.13 2fn5 s VAL 39 N -2.04 4.14 -0.19 -0.44 1.01 -0.12 -0.05 120.40 122.71 2fn5 s VAL 39 Ca 0.34 1.46 -0.20 0.00 0.00 0.00 0.00 61.98 63.58 2fn5 s VAL 39 Cb -0.09 -3.94 -0.21 0.00 0.00 0.00 0.00 36.38 32.15 2fn5 s VAL 39 CO 0.28 -0.03 0.27 0.50 0.00 0.00 0.00 175.10 176.11 2fn5 h LYS 40 N 7.74 0.04 -3.55 2.72 1.63 -0.68 -3.37 116.57 121.10 2fn5 h LYS 40 Ca -0.33 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.32 2fn5 h LYS 40 Cb 1.15 0.03 -0.14 0.00 -0.60 0.00 0.00 32.23 32.67 2fn5 h LYS 40 CO 0.91 1.03 -0.23 0.99 -3.45 0.00 0.00 179.45 178.70 2fn5 s THR 41 N -2.38 0.10 0.45 1.00 2.01 -0.92 -4.96 115.64 110.94 2fn5 s THR 41 Ca -0.27 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 60.92 2fn5 s THR 41 Cb 0.05 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 2fn5 s THR 41 CO 0.62 -0.47 0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 2fn5 s VAL 42 N -3.62 1.49 1.42 3.82 1.01 -1.26 -0.37 120.40 122.89 2fn5 s VAL 42 Ca 0.02 -2.00 -0.23 0.00 0.00 0.00 0.00 61.98 59.78 2fn5 s VAL 42 Cb 0.03 -2.58 0.37 0.00 0.00 0.00 0.00 36.38 34.19 2fn5 s VAL 42 CO -0.10 0.00 0.93 0.28 0.00 0.00 0.00 175.10 176.20 2fn5 s THR 43 N -2.86 1.22 0.50 3.92 -1.32 -1.25 -4.83 115.64 111.03 2fn5 s THR 43 Ca 0.22 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.90 2fn5 s THR 43 Cb 0.06 -2.05 0.36 0.00 -1.51 0.00 0.00 72.50 69.35 2fn5 s THR 43 CO 0.11 0.00 2.02 1.05 -2.21 0.00 0.00 174.62 175.59 2fn5 h GLU 44 N -3.43 0.12 0.00 7.08 4.11 -1.92 -3.44 114.58 117.09 2fn5 h GLU 44 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2fn5 h GLU 44 Cb 1.34 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2fn5 h GLU 44 CO 0.29 0.08 0.00 0.41 0.07 0.00 0.00 179.01 179.86 2fn5 n GLY 45 N -1.59 -2.06 2.58 1.06 0.00 -1.26 -5.02 105.19 98.90 2fn5 n GLY 45 Ca 0.08 0.62 0.11 0.00 0.00 0.00 0.00 46.02 46.83 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 -1.21 -1.25 0.00 -0.02 0.00 -1.26 -0.36 105.19 101.08 2fn5 n GLY 46 Ca 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.40 1.96 -0.05 4.61 0.00 -1.26 -2.14 120.51 122.23 2fn5 n ALA 47 Ca 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 2fn5 n ALA 47 Cb 0.38 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 2.85 0.00 0.00 0.00 0.00 -1.91 -0.82 119.26 119.38 2fn5 h ALA 48 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2fn5 h ALA 48 Cb 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2fn5 h ALA 48 CO 0.00 0.03 -0.39 1.96 0.00 0.00 0.00 179.25 180.85 2fn5 h GLN 49 N -0.99 0.00 0.00 0.00 4.20 -0.75 -1.90 115.11 115.67 2fn5 h GLN 49 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2fn5 h GLN 49 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2fn5 h GLN 49 CO 0.00 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.55 2fn5 h ARG 50 N 0.00 0.00 0.41 1.46 2.47 -1.55 -3.27 114.38 113.90 2fn5 h ARG 50 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2fn5 h ARG 50 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 2fn5 h ARG 50 CO 0.05 0.00 -0.20 0.22 0.56 0.00 0.00 179.97 180.61 2fn5 h ASP 51 N 0.00 -0.46 0.00 7.04 1.82 -0.34 -3.48 116.42 121.00 2fn5 h ASP 51 Ca 0.00 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2fn5 h ASP 51 Cb 0.90 0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.03 2fn5 h ASP 51 CO 0.00 -0.23 0.00 0.61 -1.61 0.00 0.00 179.24 178.01 2fn5 n GLY 52 N -0.31 0.79 0.19 -0.78 0.00 -1.01 -4.87 105.19 99.20 2fn5 n GLY 52 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 3.48 0.00 -6.22 1.61 1.12 -1.92 -3.43 114.38 109.01 2fn5 h ARG 53 Ca 0.00 0.00 -0.49 0.00 -1.11 0.00 0.00 59.98 58.38 2fn5 h ARG 53 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 2fn5 h ARG 53 CO 0.00 0.16 -0.44 -1.50 -3.11 0.00 0.00 179.97 175.08 2fn5 s ILE 54 N -3.13 3.73 0.00 1.20 2.07 -1.26 -5.10 121.20 118.70 2fn5 s ILE 54 Ca 0.06 -1.30 0.00 0.00 -1.41 0.00 0.00 60.65 58.00 2fn5 s ILE 54 Cb 0.06 -3.25 0.00 0.00 0.13 0.00 0.00 42.46 39.40 2fn5 s ILE 54 CO 0.69 -0.19 0.00 0.00 -1.91 0.00 0.00 174.94 173.54 2fn5 n GLN 55 N -1.40 0.77 -0.13 3.50 6.02 -1.26 -4.91 117.38 119.96 2fn5 n GLN 55 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.03 2fn5 n GLN 55 Cb 0.59 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.94 2fn5 n GLN 55 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2fn5 n VAL 56 N 0.00 1.39 -0.10 5.09 3.14 -1.26 -4.71 118.33 121.88 2fn5 n VAL 56 Ca 0.00 -1.64 0.00 0.00 -2.96 0.00 0.00 64.34 59.74 2fn5 n VAL 56 Cb 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 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 -1.02 0.06 -4.18 6.55 2.85 -1.26 -4.48 115.26 113.78 2fn5 n ASN 57 Ca 0.11 -0.31 -0.28 0.00 -0.11 0.00 0.00 54.58 53.99 2fn5 n ASN 57 Cb 0.59 0.30 0.18 0.00 1.24 0.00 0.00 39.78 42.09 2fn5 n ASN 57 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 2fn5 s ASP 58 N -0.30 3.24 -0.13 1.20 -4.77 -1.26 -4.73 116.67 109.92 2fn5 s ASP 58 Ca 0.00 0.02 0.03 0.00 -3.30 0.00 0.00 52.55 49.30 2fn5 s ASP 58 Cb 0.00 -0.08 0.01 0.00 -1.09 0.00 0.00 42.92 41.76 2fn5 s ASP 58 CO 0.00 -2.63 -0.22 -1.58 0.70 0.00 0.00 175.17 171.44 2fn5 s GLN 59 N -5.74 3.04 -0.29 2.11 0.74 -1.26 -0.94 119.66 117.31 2fn5 s GLN 59 Ca 0.74 -0.85 -0.29 0.00 0.05 0.00 0.00 55.36 55.00 2fn5 s GLN 59 Cb -0.03 -2.42 -0.00 0.00 1.10 0.00 0.00 33.01 31.66 2fn5 s GLN 59 CO 0.51 0.03 1.38 0.42 -0.55 0.00 0.00 175.29 177.08 2fn5 s ILE 60 N 0.71 4.02 -0.27 -2.34 -1.09 -0.96 -4.15 121.20 117.13 2fn5 s ILE 60 Ca -0.09 1.15 -0.14 0.00 -2.23 0.00 0.00 60.65 59.34 2fn5 s ILE 60 Cb -0.16 -4.05 -0.14 0.00 -1.58 0.00 0.00 42.46 36.53 2fn5 s ILE 60 CO 0.00 -0.45 -0.25 0.52 -1.23 0.00 0.00 174.94 173.53 2fn5 n VAL 61 N 6.30 1.53 -3.51 2.92 0.31 -1.01 -4.79 118.33 120.08 2fn5 n VAL 61 Ca 0.16 -0.36 -0.10 0.00 -0.01 0.00 0.00 64.34 64.02 2fn5 n VAL 61 Cb 0.46 -1.86 -0.10 0.00 -0.91 0.00 0.00 33.84 31.44 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 -2.49 0.29 -0.16 5.55 2.12 -0.13 -2.93 118.70 120.95 2fn5 s GLU 62 Ca -0.37 0.70 -0.03 0.00 0.36 0.00 0.00 54.97 55.63 2fn5 s GLU 62 Cb 0.13 -0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.29 2fn5 s GLU 62 CO 0.52 -0.46 -0.05 0.08 -0.54 0.00 0.00 175.26 174.81 2fn5 s VAL 63 N 2.53 3.71 0.00 3.70 1.01 -1.26 0.41 120.40 130.50 2fn5 s VAL 63 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2fn5 s VAL 63 Cb -0.14 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2fn5 s VAL 63 CO -0.13 0.48 0.00 -0.67 0.00 0.00 0.00 175.10 174.78 2fn5 n ASP 64 N 3.77 0.00 0.00 3.32 2.03 0.96 -0.53 116.55 126.10 2fn5 n ASP 64 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2fn5 n ASP 64 Cb 0.52 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 -2.00 1.06 0.19 0.27 0.00 -1.26 -4.87 105.19 98.58 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 -6.11 -0.61 2.10 -1.15 -3.48 117.51 108.26 2fn5 h ILE 66 Ca 0.00 -0.56 -0.15 0.00 1.08 0.00 0.00 64.86 65.23 2fn5 h ILE 66 Cb 0.00 1.49 0.01 0.00 -1.09 0.00 0.00 36.82 37.23 2fn5 h ILE 66 CO 0.00 0.00 -1.01 -1.20 -1.08 0.00 0.00 178.15 174.86 2fn5 n SER 67 N -2.69 -6.56 -1.46 2.19 7.64 -1.26 -4.87 113.62 106.62 2fn5 n SER 67 Ca 0.03 0.34 0.03 0.00 1.01 0.00 0.00 58.87 60.28 2fn5 n SER 67 Cb 0.37 -2.69 0.25 0.00 -1.01 0.00 0.00 64.21 61.13 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 0.39 4.26 -4.53 -3.43 -0.00 -1.15 -4.90 117.00 107.65 2fn5 n LEU 68 Ca -0.02 -2.17 -0.39 0.00 -0.00 0.00 0.00 56.01 53.44 2fn5 n LEU 68 Cb 0.50 -0.63 -0.07 0.00 -0.00 0.00 0.00 43.42 43.21 2fn5 n LEU 68 CO 0.35 0.53 2.08 0.52 -0.00 0.00 0.00 177.39 180.88 2fn5 n VAL 69 N 0.31 -0.04 -0.32 1.47 0.31 -1.16 -1.50 118.33 117.41 2fn5 n VAL 69 Ca 0.20 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2fn5 n VAL 69 Cb 0.92 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 6.20 0.96 3.47 2.92 0.00 -1.26 -4.90 105.19 112.57 2fn5 n GLY 70 Ca 0.47 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2fn5 n GLY 70 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2fn5 n VAL 71 N -2.19 0.00 -2.95 1.61 0.24 -0.56 -4.83 118.33 109.65 2fn5 n VAL 71 Ca 0.00 -1.45 -0.21 0.00 -2.04 0.00 0.00 64.34 60.65 2fn5 n VAL 71 Cb 0.02 -0.90 0.07 0.00 -1.47 0.00 0.00 33.84 31.57 2fn5 n VAL 71 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2fn5 s THR 72 N -2.67 2.09 0.34 3.34 -4.23 -1.26 -4.72 115.64 108.53 2fn5 s THR 72 Ca 0.59 -0.92 0.24 0.00 -1.18 0.00 0.00 61.69 60.42 2fn5 s THR 72 Cb -0.03 -2.18 0.25 0.00 1.34 0.00 0.00 72.50 71.88 2fn5 s THR 72 CO 0.39 0.00 1.97 0.06 -0.54 0.00 0.00 174.62 176.50 2fn5 h GLN 73 N 0.00 0.00 -0.12 3.99 -0.00 -1.93 -1.51 115.11 115.55 2fn5 h GLN 73 Ca -0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.34 2fn5 h GLN 73 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.76 2fn5 h GLN 73 CO 0.40 0.18 0.05 -0.91 -0.00 0.00 0.00 178.83 178.55 2fn5 h ASN 74 N 0.00 0.16 -0.10 0.06 2.35 -1.97 0.21 115.58 116.29 2fn5 h ASN 74 Ca -0.00 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2fn5 h ASN 74 Cb 0.49 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 2fn5 h ASN 74 CO 0.02 0.27 -0.06 0.15 -1.65 0.00 0.00 177.43 176.17 2fn5 h PHE 75 N 0.04 0.26 -0.80 1.19 3.04 -1.84 -2.21 116.94 116.62 2fn5 h PHE 75 Ca 0.04 -0.07 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 2fn5 h PHE 75 Cb 0.16 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 2fn5 h PHE 75 CO -0.02 0.59 0.34 0.00 -2.02 0.00 0.00 178.31 177.20 2fn5 h ALA 76 N 0.63 1.04 0.00 2.41 0.00 -1.21 0.24 119.26 122.37 2fn5 h ALA 76 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2fn5 h ALA 76 Cb 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2fn5 h ALA 76 CO 0.02 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.91 2fn5 h ALA 77 N 1.18 1.00 0.05 0.00 0.00 -0.52 -0.69 119.26 120.29 2fn5 h ALA 77 Ca 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 2fn5 h ALA 77 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2fn5 h ALA 77 CO -0.03 0.00 -0.81 1.15 0.00 0.00 0.00 179.25 179.57 2fn5 h THR 78 N 0.00 1.33 -0.12 0.00 2.02 -0.59 -3.19 112.91 112.37 2fn5 h THR 78 Ca 0.00 -2.35 -0.01 0.00 0.77 0.00 0.00 66.41 64.82 2fn5 h THR 78 Cb 0.41 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 2fn5 h THR 78 CO 0.00 0.58 0.05 1.62 0.37 0.00 0.00 175.52 178.14 2fn5 h VAL 79 N -0.72 1.13 0.00 3.16 3.04 -0.66 -1.36 116.25 120.84 2fn5 h VAL 79 Ca -0.19 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 2fn5 h VAL 79 Cb 1.37 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 2fn5 h VAL 79 CO -0.01 0.12 0.00 0.18 -1.01 0.00 0.00 177.57 176.85 2fn5 n LEU 80 N -4.92 0.30 -0.02 3.16 7.99 -0.29 -1.50 117.00 121.72 2fn5 n LEU 80 Ca -0.05 0.59 -0.20 0.00 -0.01 0.00 0.00 56.01 56.34 2fn5 n LEU 80 Cb 0.10 -0.57 -0.13 0.00 -0.11 0.00 0.00 43.42 42.71 2fn5 n LEU 80 CO 0.34 -0.49 -0.21 -0.09 -1.51 0.00 0.00 177.39 175.44 2fn5 h ARG 81 N 0.00 0.17 0.00 3.23 2.43 -1.47 -3.39 114.38 115.35 2fn5 h ARG 81 Ca 0.00 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2fn5 h ARG 81 Cb 0.22 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2fn5 h ARG 81 CO 0.00 1.14 0.00 0.09 -1.51 0.00 0.00 179.97 179.69 2fn5 n ASN 82 N -4.17 0.19 -4.77 -3.80 3.02 -0.54 -4.84 115.26 100.35 2fn5 n ASN 82 Ca -0.21 0.52 -0.40 0.00 -0.03 0.00 0.00 54.58 54.45 2fn5 n ASN 82 Cb 0.77 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 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 -3.03 2.88 0.00 3.41 -4.23 -0.86 -5.03 115.64 108.80 2fn5 s THR 83 Ca 0.13 0.87 0.02 0.00 -1.18 0.00 0.00 61.69 61.52 2fn5 s THR 83 Cb 0.17 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 2fn5 s THR 83 CO 0.53 0.19 -0.06 -0.54 -0.54 0.00 0.00 174.62 174.20 2fn5 s LYS 84 N -1.83 0.45 0.62 3.99 -0.14 -1.26 -4.48 119.74 117.09 2fn5 s LYS 84 Ca 0.50 -0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.82 2fn5 s LYS 84 Cb -0.37 -0.39 0.00 0.00 -1.68 0.00 0.00 37.83 35.38 2fn5 s LYS 84 CO 0.49 0.10 0.00 0.41 -0.76 0.00 0.00 175.35 175.59 2fn5 n GLY 85 N 2.69 0.32 3.36 -3.33 0.00 -1.10 -4.17 105.19 102.97 2fn5 n GLY 85 Ca -0.15 0.28 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.00 6.18 -0.18 1.61 -0.87 -1.26 0.63 114.94 117.06 2fn5 s ASN 86 Ca 0.00 -1.47 -0.02 0.00 -1.57 0.00 0.00 52.86 49.80 2fn5 s ASN 86 Cb 0.00 -2.24 -0.01 0.00 -0.02 0.00 0.00 41.25 38.98 2fn5 s ASN 86 CO 0.00 -0.88 -0.09 -0.69 -2.57 0.00 0.00 177.10 172.88 2fn5 s VAL 87 N 2.01 3.19 -0.57 1.60 1.01 -0.12 -4.92 120.40 122.61 2fn5 s VAL 87 Ca 0.07 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 2fn5 s VAL 87 Cb -0.26 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.78 2fn5 s VAL 87 CO 0.06 0.48 0.88 -0.13 0.00 0.00 0.00 175.10 176.38 2fn5 s ARG 88 N 0.92 3.23 -0.60 2.72 3.00 -1.26 0.18 118.95 127.13 2fn5 s ARG 88 Ca -0.02 -0.56 -0.20 0.00 0.00 0.00 0.00 55.73 54.96 2fn5 s ARG 88 Cb -0.15 -4.11 0.10 0.00 0.00 0.00 0.00 34.95 30.79 2fn5 s ARG 88 CO 0.00 -1.51 0.75 -0.06 0.00 0.00 0.00 175.30 174.48 2fn5 s PHE 89 N 3.67 2.94 -0.84 -0.53 0.40 0.13 -0.03 117.98 123.72 2fn5 s PHE 89 Ca 0.25 -0.87 -0.20 0.00 -0.60 0.00 0.00 56.93 55.51 2fn5 s PHE 89 Cb -0.15 -4.05 0.11 0.00 0.51 0.00 0.00 43.02 39.44 2fn5 s PHE 89 CO 0.15 -1.35 1.06 0.08 0.70 0.00 0.00 175.22 175.86 2fn5 s VAL 90 N 2.94 4.64 0.32 -0.44 1.01 0.17 0.35 120.40 129.38 2fn5 s VAL 90 Ca 0.14 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 60.94 2fn5 s VAL 90 Cb -0.23 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 2fn5 s VAL 90 CO 0.07 -1.47 0.20 -0.63 0.00 0.00 0.00 175.10 173.27 2fn5 s ILE 91 N 3.01 3.49 0.12 2.22 1.01 -0.65 -0.96 121.20 129.44 2fn5 s ILE 91 Ca 0.29 -1.54 0.03 0.00 0.00 0.00 0.00 60.65 59.43 2fn5 s ILE 91 Cb -0.09 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2fn5 s ILE 91 CO -0.04 -0.22 -0.08 -0.83 0.00 0.00 0.00 174.94 173.77 2fn5 s GLY 92 N -3.89 0.91 -0.07 6.18 0.00 -1.26 0.18 107.32 109.37 2fn5 s GLY 92 Ca 0.38 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.72 2fn5 s GLY 92 CO 0.24 -1.51 -0.14 -1.60 0.00 0.00 0.00 173.10 170.09 2fn5 s ARG 93 N -3.75 2.72 0.00 2.90 3.52 -0.14 -4.74 118.95 119.45 2fn5 s ARG 93 Ca 0.14 -0.70 0.23 0.00 -0.13 0.00 0.00 55.73 55.27 2fn5 s ARG 93 Cb 0.04 -2.43 0.18 0.00 -1.56 0.00 0.00 34.95 31.17 2fn5 s ARG 93 CO -0.02 0.52 1.22 -0.85 -0.81 0.00 0.00 175.30 175.35