#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 3.30 -0.07 1.61 0.09 -1.26 -5.05 115.29 113.92 2fn5 s HIS 2 Ca 0.00 -1.30 0.06 0.00 -0.00 0.00 0.00 55.06 53.81 2fn5 s HIS 2 Cb 0.00 -3.16 -0.01 0.00 -0.00 0.00 0.00 32.58 29.41 2fn5 s HIS 2 CO 0.00 -0.86 -0.25 1.41 -0.00 0.00 0.00 174.74 175.05 2fn5 s MET 3 N 1.52 2.67 -0.36 1.40 0.00 -1.26 -4.47 119.30 118.79 2fn5 s MET 3 Ca 0.04 -0.90 -0.10 0.00 0.00 0.00 0.00 55.69 54.72 2fn5 s MET 3 Cb -0.24 -2.20 0.02 0.00 0.00 0.00 0.00 34.83 32.41 2fn5 s MET 3 CO 0.04 0.34 0.19 -2.00 0.00 0.00 0.00 175.02 173.58 2fn5 s GLU 4 N -0.05 2.93 -0.00 4.11 2.12 -0.07 -4.93 118.70 122.81 2fn5 s GLU 4 Ca -0.07 -1.00 -0.19 0.00 0.36 0.00 0.00 54.97 54.07 2fn5 s GLU 4 Cb -0.15 -3.68 -0.06 0.00 0.26 0.00 0.00 34.13 30.51 2fn5 s GLU 4 CO 0.05 -0.63 0.54 -0.51 -0.54 0.00 0.00 175.26 174.17 2fn5 s LEU 5 N 1.56 4.43 -0.08 2.70 2.01 -1.26 -1.01 118.68 127.03 2fn5 s LEU 5 Ca 0.02 1.10 -0.08 0.00 0.01 0.00 0.00 54.13 55.19 2fn5 s LEU 5 Cb -0.19 -2.83 0.02 0.00 0.01 0.00 0.00 46.19 43.21 2fn5 s LEU 5 CO 0.06 0.16 0.21 0.72 1.01 0.00 0.00 176.35 178.52 2fn5 s PHE 6 N -0.41 -0.22 -0.09 0.29 -0.12 0.16 -4.95 117.98 112.64 2fn5 s PHE 6 Ca 0.29 0.54 -0.28 0.00 -0.05 0.00 0.00 56.93 57.42 2fn5 s PHE 6 Cb -0.18 0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.27 2fn5 s PHE 6 CO 0.16 -0.13 0.94 -1.25 -0.05 0.00 0.00 175.22 174.89 2fn5 s PRO 7 N 0.02 4.43 -0.31 1.99 0.04 -1.26 -1.32 135.00 138.59 2fn5 s PRO 7 Ca -0.01 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.35 2fn5 s PRO 7 Cb -0.02 -3.52 0.09 0.00 0.04 0.00 0.00 34.50 31.09 2fn5 s PRO 7 CO 0.00 -0.22 0.01 0.08 0.04 0.00 0.00 177.00 176.91 2fn5 s VAL 8 N 1.69 2.15 -0.56 -0.36 1.01 0.17 -4.93 120.40 119.57 2fn5 s VAL 8 Ca 0.46 -2.08 -0.25 0.00 0.00 0.00 0.00 61.98 60.11 2fn5 s VAL 8 Cb -0.19 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.73 2fn5 s VAL 8 CO 0.19 -0.44 1.02 -0.70 0.00 0.00 0.00 175.10 175.17 2fn5 s GLU 9 N 1.01 3.39 0.34 2.72 2.12 -1.25 0.23 118.70 127.27 2fn5 s GLU 9 Ca 0.05 -0.09 -0.07 0.00 0.36 0.00 0.00 54.97 55.23 2fn5 s GLU 9 Cb -0.19 -4.04 -0.05 0.00 0.26 0.00 0.00 34.13 30.11 2fn5 s GLU 9 CO -0.08 -1.54 0.64 -1.17 -0.54 0.00 0.00 175.26 172.57 2fn5 s LEU 10 N 4.27 3.96 -0.46 2.70 2.96 0.14 -4.82 118.68 127.42 2fn5 s LEU 10 Ca 0.35 0.87 0.04 0.00 -0.22 0.00 0.00 54.13 55.16 2fn5 s LEU 10 Cb -0.11 -3.71 0.12 0.00 0.50 0.00 0.00 46.19 42.99 2fn5 s LEU 10 CO 0.21 -0.29 0.20 -0.70 -1.32 0.00 0.00 176.35 174.45 2fn5 s GLU 11 N -3.73 1.81 0.74 1.98 2.12 -1.25 -1.31 118.70 119.05 2fn5 s GLU 11 Ca 0.47 -2.38 -0.03 0.00 0.36 0.00 0.00 54.97 53.38 2fn5 s GLU 11 Cb -0.10 -3.26 0.12 0.00 0.26 0.00 0.00 34.13 31.15 2fn5 s GLU 11 CO 0.31 -1.06 1.02 0.15 -0.54 0.00 0.00 175.26 175.14 2fn5 s LYS 12 N 0.09 1.67 0.83 4.30 -0.14 0.12 -4.77 119.74 121.84 2fn5 s LYS 12 Ca 0.15 -0.89 -0.12 0.00 -1.36 0.00 0.00 55.97 53.75 2fn5 s LYS 12 Cb -0.24 -2.26 0.09 0.00 -1.68 0.00 0.00 37.83 33.74 2fn5 s LYS 12 CO -0.03 -1.49 1.14 -0.51 -0.76 0.00 0.00 175.35 173.70 2fn5 s ASP 13 N -4.70 4.26 0.02 2.83 1.11 -1.25 -4.46 116.67 114.48 2fn5 s ASP 13 Ca 0.66 0.99 0.21 0.00 0.18 0.00 0.00 52.55 54.58 2fn5 s ASP 13 Cb -0.06 -1.60 0.87 0.00 1.07 0.00 0.00 42.92 43.21 2fn5 s ASP 13 CO 0.45 -2.08 1.66 -1.84 1.18 0.00 0.00 175.17 174.54 2fn5 n GLU 14 N -3.46 0.02 0.06 8.23 0.28 -1.26 -1.49 120.64 123.03 2fn5 n GLU 14 Ca 0.07 0.17 0.02 0.00 -0.16 0.00 0.00 57.16 57.26 2fn5 n GLU 14 Cb 0.59 -1.54 0.37 0.00 1.43 0.00 0.00 31.44 32.29 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 0.35 0.00 -1.84 3.58 -1.97 -3.48 116.42 113.06 2fn5 h ASP 15 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2fn5 h ASP 15 Cb 0.37 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2fn5 h ASP 15 CO 0.00 0.44 0.00 0.61 -2.88 0.00 0.00 179.24 177.41 2fn5 n GLY 16 N -0.96 0.19 0.25 -0.78 0.00 -0.55 -4.79 105.19 98.54 2fn5 n GLY 16 Ca 0.00 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 2fn5 n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2fn5 n LEU 17 N 0.00 1.53 -1.67 0.99 7.94 -1.26 -3.89 117.00 120.63 2fn5 n LEU 17 Ca 0.00 0.25 -0.10 0.00 -1.11 0.00 0.00 56.01 55.05 2fn5 n LEU 17 Cb 0.00 -0.63 0.03 0.00 0.53 0.00 0.00 43.42 43.35 2fn5 n LEU 17 CO 0.00 -0.38 0.06 0.61 -1.11 0.00 0.00 177.39 176.57 2fn5 n GLY 18 N 1.82 0.24 3.83 -3.96 0.00 -1.26 -4.59 105.19 101.27 2fn5 n GLY 18 Ca -0.10 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 2fn5 n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2fn5 s ILE 19 N -2.99 2.99 0.10 -0.61 -4.36 -1.26 -2.85 121.20 112.21 2fn5 s ILE 19 Ca 0.20 -1.44 0.09 0.00 -0.26 0.00 0.00 60.65 59.24 2fn5 s ILE 19 Cb -0.09 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 2fn5 s ILE 19 CO 0.25 -0.09 -0.20 -0.44 0.24 0.00 0.00 174.94 174.70 2fn5 s SER 20 N -4.02 3.73 0.30 4.36 0.01 0.43 -4.92 113.70 113.60 2fn5 s SER 20 Ca 0.43 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 57.19 2fn5 s SER 20 Cb -0.03 -0.49 -0.06 0.00 0.21 0.00 0.00 66.02 65.64 2fn5 s SER 20 CO 0.26 0.20 -0.03 0.27 0.41 0.00 0.00 173.24 174.35 2fn5 s ILE 21 N -1.06 1.61 -0.05 1.44 -5.25 -1.26 0.03 121.20 116.65 2fn5 s ILE 21 Ca 0.16 -2.09 0.02 0.00 -0.99 0.00 0.00 60.65 57.75 2fn5 s ILE 21 Cb -0.10 -2.58 0.01 0.00 2.95 0.00 0.00 42.46 42.73 2fn5 s ILE 21 CO 0.08 -0.21 -0.11 -0.51 -1.79 0.00 0.00 174.94 172.41 2fn5 s ILE 22 N -3.03 0.97 -0.76 8.37 2.07 0.36 -4.45 121.20 124.73 2fn5 s ILE 22 Ca 0.32 -0.41 -0.20 0.00 -1.41 0.00 0.00 60.65 58.94 2fn5 s ILE 22 Cb 0.05 -0.88 0.10 0.00 0.13 0.00 0.00 42.46 41.86 2fn5 s ILE 22 CO 0.13 0.31 1.00 -0.83 -1.91 0.00 0.00 174.94 173.64 2fn5 s GLY 23 N 0.50 1.66 0.47 1.50 0.00 -1.26 -1.79 107.32 108.41 2fn5 s GLY 23 Ca -0.10 -2.29 0.07 0.00 0.00 0.00 0.00 44.72 42.40 2fn5 s GLY 23 CO 0.02 1.97 0.36 1.06 0.00 0.00 0.00 173.10 176.51 2fn5 s MET 24 N 3.29 2.35 -0.48 2.90 -1.94 0.11 -4.92 119.30 120.61 2fn5 s MET 24 Ca 0.25 -1.80 0.08 0.00 -1.71 0.00 0.00 55.69 52.52 2fn5 s MET 24 Cb -0.13 -2.19 0.33 0.00 2.01 0.00 0.00 34.83 34.85 2fn5 s MET 24 CO 0.01 -0.37 0.80 0.41 -0.01 0.00 0.00 175.02 175.86 2fn5 n GLY 25 N -1.59 4.45 3.73 -0.03 0.00 -1.26 -3.22 105.19 107.27 2fn5 n GLY 25 Ca 0.01 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 2fn5 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fn5 s VAL 26 N -3.14 3.19 0.00 1.61 0.11 -1.26 -2.49 120.40 118.42 2fn5 s VAL 26 Ca 0.43 0.95 0.00 0.00 -2.93 0.00 0.00 61.98 60.43 2fn5 s VAL 26 Cb 0.29 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 2fn5 s VAL 26 CO -0.10 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2fn5 n GLY 27 N 2.62 0.88 0.21 6.54 0.00 -1.26 -3.80 105.19 110.38 2fn5 n GLY 27 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2fn5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 h ALA 28 N 0.00 -0.44 0.00 4.61 0.00 -1.78 0.41 119.26 122.06 2fn5 h ALA 28 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2fn5 h ALA 28 Cb 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2fn5 h ALA 28 CO 0.00 -0.44 -0.32 0.22 0.00 0.00 0.00 179.25 178.71 2fn5 h ASP 29 N -1.07 0.00 0.20 0.00 3.58 -1.90 -2.29 116.42 114.94 2fn5 h ASP 29 Ca -0.05 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 2fn5 h ASP 29 Cb 0.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2fn5 h ASP 29 CO 0.07 0.32 -0.29 0.00 -2.88 0.00 0.00 179.24 176.46 2fn5 h ALA 30 N 1.68 1.36 0.00 -0.78 0.00 -1.92 -3.47 119.26 116.13 2fn5 h ALA 30 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2fn5 h ALA 30 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2fn5 h ALA 30 CO 0.04 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2fn5 n GLY 31 N -0.55 1.26 0.12 0.00 0.00 -0.82 -5.01 105.19 100.19 2fn5 n GLY 31 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2fn5 n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fn5 n LEU 32 N 0.00 2.07 -2.81 0.99 4.32 0.13 -5.02 117.00 116.67 2fn5 n LEU 32 Ca 0.00 0.34 -0.06 0.00 -0.02 0.00 0.00 56.01 56.27 2fn5 n LEU 32 Cb 0.00 -0.96 0.01 0.00 -1.62 0.00 0.00 43.42 40.85 2fn5 n LEU 32 CO 0.00 0.47 -0.11 -0.62 -1.22 0.00 0.00 177.39 175.91 2fn5 n GLU 33 N -4.18 -2.72 -4.53 3.23 1.02 -0.01 -4.96 120.64 108.50 2fn5 n GLU 33 Ca -0.38 2.33 -0.26 0.00 -0.02 0.00 0.00 57.16 58.84 2fn5 n GLU 33 Cb 0.80 -5.61 -0.09 0.00 -0.02 0.00 0.00 31.44 26.52 2fn5 n GLU 33 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2fn5 s LYS 34 N -2.33 1.90 0.50 3.49 2.20 -1.25 -4.95 119.74 119.30 2fn5 s LYS 34 Ca 0.18 -2.15 -0.22 0.00 -0.36 0.00 0.00 55.97 53.43 2fn5 s LYS 34 Cb -0.05 -0.77 -0.06 0.00 -1.51 0.00 0.00 37.83 35.43 2fn5 s LYS 34 CO 0.78 -0.40 1.17 -0.48 -0.36 0.00 0.00 175.35 176.06 2fn5 s LEU 35 N -3.61 3.90 -0.14 5.43 2.34 -1.26 -4.53 118.68 120.81 2fn5 s LEU 35 Ca 0.25 2.31 0.15 0.00 0.06 0.00 0.00 54.13 56.89 2fn5 s LEU 35 Cb 0.04 -4.36 0.33 0.00 -0.56 0.00 0.00 46.19 41.63 2fn5 s LEU 35 CO 0.13 -1.10 1.17 0.61 -1.06 0.00 0.00 176.35 176.10 2fn5 n GLY 36 N 0.39 4.15 3.50 -3.48 0.00 -1.20 -4.44 105.19 104.11 2fn5 n GLY 36 Ca 0.09 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.44 4.12 0.37 -0.61 -1.09 -1.25 -0.71 121.20 119.59 2fn5 s ILE 37 Ca 0.31 -0.01 0.04 0.00 -2.23 0.00 0.00 60.65 58.76 2fn5 s ILE 37 Cb 0.30 -4.75 -0.01 0.00 -1.58 0.00 0.00 42.46 36.42 2fn5 s ILE 37 CO -0.03 -1.56 0.53 -0.36 -1.23 0.00 0.00 174.94 172.29 2fn5 s PHE 38 N 4.63 3.19 -0.03 3.97 0.08 -0.74 -2.46 117.98 126.62 2fn5 s PHE 38 Ca 0.28 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 57.00 2fn5 s PHE 38 Cb -0.13 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 2fn5 s PHE 38 CO 0.13 -0.10 1.04 0.08 -0.10 0.00 0.00 175.22 176.27 2fn5 s VAL 39 N -2.30 4.68 -0.14 -0.44 1.01 -0.49 -0.49 120.40 122.23 2fn5 s VAL 39 Ca 0.45 1.93 -0.14 0.00 0.00 0.00 0.00 61.98 64.23 2fn5 s VAL 39 Cb -0.10 -4.24 -0.24 0.00 0.00 0.00 0.00 36.38 31.80 2fn5 s VAL 39 CO 0.33 0.09 0.36 0.50 0.00 0.00 0.00 175.10 176.38 2fn5 h LYS 40 N 6.97 0.18 -2.88 2.72 1.63 -0.60 -3.42 116.57 121.16 2fn5 h LYS 40 Ca -0.37 -0.30 0.03 0.00 -0.85 0.00 0.00 60.65 59.16 2fn5 h LYS 40 Cb 1.19 0.11 -0.11 0.00 -0.60 0.00 0.00 32.23 32.82 2fn5 h LYS 40 CO 0.81 1.14 0.26 0.99 -3.45 0.00 0.00 179.45 179.20 2fn5 s THR 41 N -2.48 0.00 0.12 1.00 2.01 -0.91 -4.95 115.64 110.43 2fn5 s THR 41 Ca -0.24 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 61.57 2fn5 s THR 41 Cb 0.06 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 2fn5 s THR 41 CO 0.71 0.00 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.78 2fn5 s VAL 42 N -3.69 1.52 0.45 3.82 1.01 -1.26 -0.43 120.40 121.81 2fn5 s VAL 42 Ca 0.04 -1.63 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 2fn5 s VAL 42 Cb -0.02 -1.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.75 2fn5 s VAL 42 CO -0.07 -0.25 1.34 0.28 0.00 0.00 0.00 175.10 176.40 2fn5 s THR 43 N -1.67 2.39 -0.13 3.92 -1.32 -1.13 -4.91 115.64 112.79 2fn5 s THR 43 Ca 0.08 0.34 -0.22 0.00 -1.21 0.00 0.00 61.69 60.67 2fn5 s THR 43 Cb -0.08 -3.19 -0.20 0.00 -1.51 0.00 0.00 72.50 67.53 2fn5 s THR 43 CO 0.04 0.04 0.61 -0.08 -2.21 0.00 0.00 174.62 173.01 2fn5 h GLU 44 N 2.31 -0.01 -2.49 7.08 4.81 -1.96 -3.37 114.58 120.96 2fn5 h GLU 44 Ca -0.50 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 57.96 2fn5 h GLU 44 Cb 1.26 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.34 2fn5 h GLU 44 CO 0.61 0.73 0.59 0.41 -0.73 0.00 0.00 179.01 180.63 2fn5 n GLY 45 N 1.59 5.61 3.12 1.92 0.00 -1.26 -4.68 105.19 111.49 2fn5 n GLY 45 Ca -0.08 -2.66 -0.12 0.00 0.00 0.00 0.00 46.02 43.17 2fn5 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fn5 s GLY 46 N -1.87 -0.00 0.00 -0.02 0.00 -1.26 -5.03 107.32 99.13 2fn5 s GLY 46 Ca 0.37 0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.11 2fn5 s GLY 46 CO -0.03 -0.12 0.43 0.00 0.00 0.00 0.00 173.10 173.37 2fn5 n ALA 47 N 1.65 1.40 -0.04 3.20 0.00 -1.26 -2.56 120.51 122.90 2fn5 n ALA 47 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 2fn5 n ALA 47 Cb 0.56 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.96 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 1.79 -0.01 -0.00 0.00 0.00 -1.87 0.51 119.26 119.68 2fn5 h ALA 48 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2fn5 h ALA 48 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2fn5 h ALA 48 CO 0.00 -0.13 -0.01 1.04 0.00 0.00 0.00 179.25 180.15 2fn5 n GLN 49 N -4.74 0.66 0.11 0.00 6.02 -1.06 -2.15 117.38 116.22 2fn5 n GLN 49 Ca -0.09 -0.03 -0.23 0.00 -0.01 0.00 0.00 57.00 56.64 2fn5 n GLN 49 Cb 0.36 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.97 2fn5 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2fn5 h ARG 50 N 0.08 0.43 0.38 -1.09 2.47 -1.56 -3.38 114.38 111.72 2fn5 h ARG 50 Ca 0.00 -0.74 -0.01 0.00 -1.26 0.00 0.00 59.98 57.97 2fn5 h ARG 50 Cb 0.20 0.28 -0.03 0.00 -1.65 0.00 0.00 29.97 28.76 2fn5 h ARG 50 CO 0.00 1.34 -0.50 0.22 0.56 0.00 0.00 179.97 181.59 2fn5 h ASP 51 N 0.12 -1.41 0.00 7.04 3.58 -0.37 -3.47 116.42 121.91 2fn5 h ASP 51 Ca -0.28 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2fn5 h ASP 51 Cb 2.11 0.48 0.00 0.00 1.72 0.00 0.00 39.33 43.65 2fn5 h ASP 51 CO 0.22 -0.62 0.00 0.61 -2.88 0.00 0.00 179.24 176.57 2fn5 n GLY 52 N -1.52 2.63 0.11 -0.78 0.00 -1.19 -4.87 105.19 99.58 2fn5 n GLY 52 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 3.17 0.10 -6.95 1.61 1.12 -1.91 -3.45 114.38 108.06 2fn5 h ARG 53 Ca 0.00 -0.17 -0.49 0.00 -1.11 0.00 0.00 59.98 58.21 2fn5 h ARG 53 Cb 0.00 0.06 0.03 0.00 -0.01 0.00 0.00 29.97 30.05 2fn5 h ARG 53 CO 0.00 1.08 0.44 -1.50 -3.11 0.00 0.00 179.97 176.88 2fn5 s ILE 54 N -2.42 3.53 0.09 1.20 2.07 -1.26 -5.03 121.20 119.38 2fn5 s ILE 54 Ca -0.25 1.22 0.02 0.00 -1.41 0.00 0.00 60.65 60.23 2fn5 s ILE 54 Cb 0.05 -3.65 -0.01 0.00 0.13 0.00 0.00 42.46 38.98 2fn5 s ILE 54 CO 0.67 0.05 0.07 0.00 -1.91 0.00 0.00 174.94 173.82 2fn5 n GLN 55 N 0.03 0.21 -0.04 3.50 6.02 -1.26 -4.81 117.38 121.02 2fn5 n GLN 55 Ca 0.05 -0.92 -0.14 0.00 -0.01 0.00 0.00 57.00 55.98 2fn5 n GLN 55 Cb 0.48 0.72 -0.14 0.00 1.02 0.00 0.00 30.24 32.32 2fn5 n GLN 55 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2fn5 n VAL 56 N -0.18 1.61 -0.18 5.09 0.31 -1.26 -4.26 118.33 119.45 2fn5 n VAL 56 Ca 0.02 -0.73 0.03 0.00 -0.01 0.00 0.00 64.34 63.64 2fn5 n VAL 56 Cb 0.17 -1.21 0.24 0.00 -0.91 0.00 0.00 33.84 32.12 2fn5 n VAL 56 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2fn5 n ASN 57 N -3.16 3.90 -2.88 4.52 3.02 -1.26 -3.98 115.26 115.42 2fn5 n ASN 57 Ca -0.28 -2.60 -0.06 0.00 -0.03 0.00 0.00 54.58 51.60 2fn5 n ASN 57 Cb 1.06 -0.62 0.02 0.00 -0.61 0.00 0.00 39.78 39.62 2fn5 n ASN 57 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2fn5 n ASP 58 N 0.33 0.79 -3.99 6.41 9.92 -1.26 -4.93 116.55 123.81 2fn5 n ASP 58 Ca 0.18 -1.48 -0.26 0.00 -0.53 0.00 0.00 54.79 52.71 2fn5 n ASP 58 Cb 0.86 -0.11 -0.17 0.00 -0.64 0.00 0.00 41.12 41.07 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 -2.77 1.71 -0.56 -1.24 0.74 -1.23 -1.39 119.66 114.92 2fn5 s GLN 59 Ca 0.17 -0.38 -0.28 0.00 0.05 0.00 0.00 55.36 54.92 2fn5 s GLN 59 Cb -0.01 -1.52 0.01 0.00 1.10 0.00 0.00 33.01 32.59 2fn5 s GLN 59 CO 0.11 -0.07 1.50 0.42 -0.55 0.00 0.00 175.29 176.70 2fn5 s ILE 60 N 1.01 3.69 -0.22 -2.34 -1.09 -1.03 -3.22 121.20 118.00 2fn5 s ILE 60 Ca -0.08 0.57 -0.20 0.00 -2.23 0.00 0.00 60.65 58.71 2fn5 s ILE 60 Cb -0.15 -4.33 -0.18 0.00 -1.58 0.00 0.00 42.46 36.22 2fn5 s ILE 60 CO -0.01 -1.12 0.12 0.52 -1.23 0.00 0.00 174.94 173.23 2fn5 n VAL 61 N 6.92 1.53 -3.39 2.92 0.31 -1.03 -4.77 118.33 120.82 2fn5 n VAL 61 Ca 0.14 -0.08 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 2fn5 n VAL 61 Cb 0.49 -2.02 -0.09 0.00 -0.91 0.00 0.00 33.84 31.31 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 0.32 -0.21 5.55 2.12 0.23 -3.02 118.70 121.30 2fn5 s GLU 62 Ca -0.30 0.22 -0.12 0.00 0.36 0.00 0.00 54.97 55.12 2fn5 s GLU 62 Cb 0.07 -0.66 -0.05 0.00 0.26 0.00 0.00 34.13 33.76 2fn5 s GLU 62 CO 0.57 -0.81 0.23 0.08 -0.54 0.00 0.00 175.26 174.79 2fn5 s VAL 63 N 2.45 5.32 0.00 3.70 1.01 -1.26 0.04 120.40 131.67 2fn5 s VAL 63 Ca 0.10 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2fn5 s VAL 63 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2fn5 s VAL 63 CO -0.22 0.35 0.00 -0.67 0.00 0.00 0.00 175.10 174.56 2fn5 n ASP 64 N 4.05 0.00 0.00 3.32 2.03 0.66 -0.65 116.55 125.95 2fn5 n ASP 64 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 2fn5 n ASP 64 Cb 0.52 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 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 1.12 0.21 0.27 0.00 -1.26 -4.89 105.19 98.64 2fn5 n GLY 65 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -5.85 -0.61 2.10 -1.22 -3.48 117.51 108.45 2fn5 h ILE 66 Ca 0.00 -0.52 -0.16 0.00 1.08 0.00 0.00 64.86 65.26 2fn5 h ILE 66 Cb 0.00 1.46 0.01 0.00 -1.09 0.00 0.00 36.82 37.19 2fn5 h ILE 66 CO 0.00 0.00 -0.86 -1.54 -1.08 0.00 0.00 178.15 174.67 2fn5 n SER 67 N -2.79 -6.90 -1.37 2.19 3.41 -1.26 -4.91 113.62 101.99 2fn5 n SER 67 Ca 0.02 0.32 0.08 0.00 -0.26 0.00 0.00 58.87 59.03 2fn5 n SER 67 Cb 0.34 -3.66 0.30 0.00 -0.26 0.00 0.00 64.21 60.93 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 -0.07 4.03 -4.55 1.04 -0.00 -1.20 -4.86 117.00 111.39 2fn5 n LEU 68 Ca 0.02 -2.03 -0.32 0.00 -0.00 0.00 0.00 56.01 53.68 2fn5 n LEU 68 Cb 0.52 -0.53 -0.05 0.00 -0.00 0.00 0.00 43.42 43.36 2fn5 n LEU 68 CO 0.48 0.68 1.91 0.52 -0.00 0.00 0.00 177.39 180.98 2fn5 n VAL 69 N 0.89 -0.06 0.00 1.47 0.31 -1.17 -2.02 118.33 117.75 2fn5 n VAL 69 Ca 0.21 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2fn5 n VAL 69 Cb 0.76 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 6.18 1.50 3.82 2.92 0.00 -1.26 -4.78 105.19 113.57 2fn5 n GLY 70 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 1.49 0.64 1.61 -7.23 -0.86 -4.96 120.40 109.10 2fn5 s VAL 71 Ca 0.00 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2fn5 s VAL 71 Cb 0.00 -2.25 0.07 0.00 0.56 0.00 0.00 36.38 34.76 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 -2.80 2.42 0.37 5.32 -4.23 -1.26 -4.74 115.64 110.72 2fn5 s THR 72 Ca 0.22 -0.57 0.09 0.00 -1.18 0.00 0.00 61.69 60.25 2fn5 s THR 72 Cb 0.00 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 71.12 2fn5 s THR 72 CO 0.13 0.00 1.87 0.06 -0.54 0.00 0.00 174.62 176.14 2fn5 h GLN 73 N -0.26 0.23 -0.15 3.99 -0.00 -1.91 -1.43 115.11 115.58 2fn5 h GLN 73 Ca -0.41 -0.06 -0.16 0.00 -0.00 0.00 0.00 58.65 58.02 2fn5 h GLN 73 Cb 1.29 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.74 2fn5 h GLN 73 CO 0.50 0.42 -0.58 -2.95 -0.00 0.00 0.00 178.83 176.22 2fn5 h ASN 74 N 0.21 0.53 0.16 0.06 7.08 -1.98 0.41 115.58 122.05 2fn5 h ASN 74 Ca 0.04 -0.29 -0.01 0.00 -3.08 0.00 0.00 56.30 52.96 2fn5 h ASN 74 Cb 0.47 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.56 2fn5 h ASN 74 CO 0.03 1.00 -0.08 0.15 -2.08 0.00 0.00 177.43 176.45 2fn5 h PHE 75 N 0.36 -0.20 -0.38 4.14 3.04 -1.85 -2.30 116.94 119.75 2fn5 h PHE 75 Ca 0.00 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.95 2fn5 h PHE 75 Cb 1.12 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.67 2fn5 h PHE 75 CO 0.04 0.11 0.25 0.00 -2.02 0.00 0.00 178.31 176.69 2fn5 h ALA 76 N 0.28 0.48 -0.52 2.41 0.00 -1.10 -1.44 119.26 119.37 2fn5 h ALA 76 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2fn5 h ALA 76 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2fn5 h ALA 76 CO 0.04 -0.07 0.35 0.00 0.00 0.00 0.00 179.25 179.56 2fn5 h ALA 77 N 1.15 1.86 -0.22 0.00 0.00 -0.19 0.16 119.26 122.02 2fn5 h ALA 77 Ca 0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2fn5 h ALA 77 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2fn5 h ALA 77 CO -0.04 0.06 -0.09 1.15 0.00 0.00 0.00 179.25 180.33 2fn5 h THR 78 N 0.49 1.30 0.17 0.00 2.02 -0.77 -2.51 112.91 113.61 2fn5 h THR 78 Ca 0.22 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 2fn5 h THR 78 Cb 0.26 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2fn5 h THR 78 CO -0.06 0.35 -0.08 0.58 0.37 0.00 0.00 175.52 176.68 2fn5 h VAL 79 N 0.16 0.87 0.00 3.16 2.07 -0.00 0.92 116.25 123.43 2fn5 h VAL 79 Ca 0.05 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2fn5 h VAL 79 Cb 0.57 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2fn5 h VAL 79 CO 0.03 0.04 0.00 0.18 0.02 0.00 0.00 177.57 177.84 2fn5 n LEU 80 N -5.16 0.00 -0.11 2.57 7.99 0.37 -0.98 117.00 121.68 2fn5 n LEU 80 Ca -0.09 0.23 -0.12 0.00 -0.01 0.00 0.00 56.01 56.02 2fn5 n LEU 80 Cb 0.15 -0.23 -0.15 0.00 -0.11 0.00 0.00 43.42 43.08 2fn5 n LEU 80 CO 0.34 -0.13 -1.19 -1.14 -1.51 0.00 0.00 177.39 173.76 2fn5 n ARG 81 N -1.23 0.68 -0.00 3.23 0.00 -0.89 -4.25 116.66 114.20 2fn5 n ARG 81 Ca 0.07 0.04 0.05 0.00 -0.00 0.00 0.00 57.85 58.01 2fn5 n ARG 81 Cb 0.09 -1.53 0.31 0.00 0.00 0.00 0.00 32.46 31.34 2fn5 n ARG 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2fn5 n ASN 82 N -2.89 0.02 -4.67 6.15 3.02 0.27 -4.81 115.26 112.36 2fn5 n ASN 82 Ca -0.36 -1.67 -0.29 0.00 -0.03 0.00 0.00 54.58 52.24 2fn5 n ASN 82 Cb 1.12 -0.00 0.18 0.00 -0.61 0.00 0.00 39.78 40.46 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 1.99 0.00 3.41 -4.23 -1.03 -5.05 115.64 108.73 2fn5 s THR 83 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2fn5 s THR 83 Cb 0.07 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2fn5 s THR 83 CO 0.12 0.00 0.00 2.29 -0.54 0.00 0.00 174.62 176.49 2fn5 n LYS 84 N -4.17 0.00 0.00 3.99 -0.00 -1.26 -4.64 118.16 112.09 2fn5 n LYS 84 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2fn5 n LYS 84 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.61 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 -2.86 3.50 2.58 0.00 -1.26 -4.45 105.19 102.70 2fn5 n GLY 85 Ca 0.00 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.21 6.31 -0.07 1.61 -0.87 -1.24 0.14 114.94 118.61 2fn5 s ASN 86 Ca 0.00 -0.50 0.04 0.00 -1.57 0.00 0.00 52.86 50.82 2fn5 s ASN 86 Cb 0.00 -2.39 -0.02 0.00 -0.02 0.00 0.00 41.25 38.82 2fn5 s ASN 86 CO 0.00 -1.11 -0.18 -0.69 -2.57 0.00 0.00 177.10 172.55 2fn5 s VAL 87 N 3.52 2.70 -0.61 1.60 1.01 -0.43 -4.88 120.40 123.32 2fn5 s VAL 87 Ca 0.26 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 2fn5 s VAL 87 Cb -0.14 -2.05 0.09 0.00 0.00 0.00 0.00 36.38 34.28 2fn5 s VAL 87 CO 0.17 0.57 0.78 -0.13 0.00 0.00 0.00 175.10 176.49 2fn5 s ARG 88 N -0.31 3.06 -0.56 2.72 0.52 -1.26 0.23 118.95 123.36 2fn5 s ARG 88 Ca 0.02 -1.19 -0.20 0.00 -0.52 0.00 0.00 55.73 53.84 2fn5 s ARG 88 Cb -0.13 -4.26 0.07 0.00 0.52 0.00 0.00 34.95 31.15 2fn5 s ARG 88 CO 0.03 -1.62 0.74 -0.06 0.02 0.00 0.00 175.30 174.40 2fn5 s PHE 89 N 3.07 2.94 -1.00 -0.53 0.08 0.14 -0.25 117.98 122.43 2fn5 s PHE 89 Ca 0.14 -0.58 -0.16 0.00 0.12 0.00 0.00 56.93 56.46 2fn5 s PHE 89 Cb -0.22 -3.85 0.17 0.00 -0.57 0.00 0.00 43.02 38.55 2fn5 s PHE 89 CO 0.07 -1.24 1.14 0.08 -0.10 0.00 0.00 175.22 175.17 2fn5 s VAL 90 N 3.04 5.09 0.23 -0.44 1.01 0.11 0.42 120.40 129.85 2fn5 s VAL 90 Ca 0.17 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 60.01 2fn5 s VAL 90 Cb -0.19 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.41 2fn5 s VAL 90 CO 0.11 -1.42 0.31 -0.63 0.00 0.00 0.00 175.10 173.47 2fn5 s ILE 91 N 1.56 5.10 0.14 2.22 1.01 -0.43 -0.60 121.20 130.19 2fn5 s ILE 91 Ca 0.32 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 60.00 2fn5 s ILE 91 Cb -0.06 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2fn5 s ILE 91 CO -0.07 -0.29 -0.12 -0.83 0.00 0.00 0.00 174.94 173.63 2fn5 s GLY 92 N -3.82 1.08 -0.01 6.18 0.00 -1.20 0.39 107.32 109.94 2fn5 s GLY 92 Ca 0.34 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.66 2fn5 s GLY 92 CO 0.28 -1.51 -0.08 -1.60 0.00 0.00 0.00 173.10 170.19 2fn5 s ARG 93 N -3.34 0.74 0.00 2.90 6.06 -0.18 -3.56 118.95 121.57 2fn5 s ARG 93 Ca 0.14 -0.29 0.28 0.00 -2.50 0.00 0.00 55.73 53.35 2fn5 s ARG 93 Cb -0.00 -0.71 1.64 0.00 0.06 0.00 0.00 34.95 35.94 2fn5 s ARG 93 CO 0.02 0.16 1.99 -0.85 -2.50 0.00 0.00 175.30 174.12