#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 3.22 -0.02 1.61 0.09 -1.26 -4.99 115.29 113.94 2fn5 s HIS 2 Ca 0.00 1.04 0.01 0.00 -0.00 0.00 0.00 55.06 56.10 2fn5 s HIS 2 Cb 0.00 -3.68 0.02 0.00 -0.00 0.00 0.00 32.58 28.92 2fn5 s HIS 2 CO 0.00 -2.28 -0.01 1.41 -0.00 0.00 0.00 174.74 173.86 2fn5 s MET 3 N 0.58 0.31 -0.27 1.40 0.00 -1.26 -4.15 119.30 115.90 2fn5 s MET 3 Ca 0.62 0.01 -0.10 0.00 0.00 0.00 0.00 55.69 56.22 2fn5 s MET 3 Cb -0.37 -0.42 -0.04 0.00 0.00 0.00 0.00 34.83 33.99 2fn5 s MET 3 CO 0.34 -0.07 0.15 -2.00 0.00 0.00 0.00 175.02 173.44 2fn5 s GLU 4 N 0.68 3.85 -0.25 4.11 2.12 -0.16 -4.90 118.70 124.15 2fn5 s GLU 4 Ca -0.07 -0.37 -0.20 0.00 0.36 0.00 0.00 54.97 54.69 2fn5 s GLU 4 Cb -0.10 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 2fn5 s GLU 4 CO -0.01 -0.18 0.59 -0.51 -0.54 0.00 0.00 175.26 174.61 2fn5 s LEU 5 N 1.71 4.07 0.03 2.70 2.01 -1.26 -0.65 118.68 127.28 2fn5 s LEU 5 Ca 0.07 0.66 0.02 0.00 0.01 0.00 0.00 54.13 54.90 2fn5 s LEU 5 Cb -0.16 -2.80 -0.02 0.00 0.01 0.00 0.00 46.19 43.23 2fn5 s LEU 5 CO 0.08 -0.33 -0.08 0.72 1.01 0.00 0.00 176.35 177.75 2fn5 s PHE 6 N 2.38 0.70 -0.07 0.29 -0.12 0.46 -4.93 117.98 116.68 2fn5 s PHE 6 Ca 0.25 -0.36 -0.29 0.00 -0.05 0.00 0.00 56.93 56.47 2fn5 s PHE 6 Cb -0.16 -0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 41.79 2fn5 s PHE 6 CO 0.09 -0.04 0.99 -1.25 -0.05 0.00 0.00 175.22 174.95 2fn5 s PRO 7 N -1.12 4.46 -0.42 1.99 0.04 -1.26 -1.34 135.00 137.36 2fn5 s PRO 7 Ca -0.05 1.38 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 2fn5 s PRO 7 Cb -0.07 -3.52 0.09 0.00 0.04 0.00 0.00 34.50 31.04 2fn5 s PRO 7 CO 0.00 -0.22 0.25 0.08 0.04 0.00 0.00 177.00 177.15 2fn5 s VAL 8 N 1.68 3.97 -0.58 -0.36 1.01 0.17 -4.90 120.40 121.38 2fn5 s VAL 8 Ca 0.49 -1.60 -0.23 0.00 0.00 0.00 0.00 61.98 60.64 2fn5 s VAL 8 Cb -0.19 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.74 2fn5 s VAL 8 CO 0.21 -0.57 0.90 -0.70 0.00 0.00 0.00 175.10 174.94 2fn5 s GLU 9 N 1.35 3.22 0.01 2.72 2.12 -1.25 -0.05 118.70 126.82 2fn5 s GLU 9 Ca 0.04 -0.57 -0.05 0.00 0.36 0.00 0.00 54.97 54.75 2fn5 s GLU 9 Cb -0.23 -4.13 -0.05 0.00 0.26 0.00 0.00 34.13 29.99 2fn5 s GLU 9 CO 0.00 -1.57 0.25 -1.17 -0.54 0.00 0.00 175.26 172.23 2fn5 s LEU 10 N 3.79 4.36 -0.46 2.70 1.98 0.12 -4.86 118.68 126.32 2fn5 s LEU 10 Ca 0.25 0.48 0.01 0.00 -2.89 0.00 0.00 54.13 51.98 2fn5 s LEU 10 Cb -0.15 -2.71 0.12 0.00 0.66 0.00 0.00 46.19 44.11 2fn5 s LEU 10 CO 0.15 0.24 0.22 -0.70 -1.89 0.00 0.00 176.35 174.37 2fn5 s GLU 11 N -1.91 1.96 0.00 1.98 2.12 -1.25 -0.08 118.70 121.53 2fn5 s GLU 11 Ca 0.29 -2.16 0.00 0.00 0.36 0.00 0.00 54.97 53.46 2fn5 s GLU 11 Cb -0.13 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.81 2fn5 s GLU 11 CO 0.18 -1.06 0.00 1.63 -0.54 0.00 0.00 175.26 175.47 2fn5 n LYS 12 N 3.94 0.63 -1.79 4.30 4.76 0.13 -4.87 118.16 125.27 2fn5 n LYS 12 Ca 0.03 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.18 2fn5 n LYS 12 Cb 0.39 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.66 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 -1.00 4.70 0.58 4.39 1.11 -1.24 -4.21 116.67 121.00 2fn5 s ASP 13 Ca 0.00 1.02 0.36 0.00 0.18 0.00 0.00 52.55 54.11 2fn5 s ASP 13 Cb 0.00 -1.67 1.61 0.00 1.07 0.00 0.00 42.92 43.93 2fn5 s ASP 13 CO 0.00 -1.81 2.07 1.05 1.18 0.00 0.00 175.17 177.67 2fn5 h GLU 14 N -0.98 0.00 -0.11 8.23 4.11 -1.96 -1.45 114.58 122.42 2fn5 h GLU 14 Ca -0.46 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.90 2fn5 h GLU 14 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2fn5 h GLU 14 CO 0.64 0.00 -0.22 0.22 0.07 0.00 0.00 179.01 179.72 2fn5 h ASP 15 N 0.00 0.19 0.00 3.06 3.58 -1.92 -3.44 116.42 117.89 2fn5 h ASP 15 Ca -0.00 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2fn5 h ASP 15 Cb 0.40 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2fn5 h ASP 15 CO 0.00 0.43 0.00 0.61 -2.88 0.00 0.00 179.24 177.40 2fn5 n GLY 16 N -0.68 0.27 0.47 -0.78 0.00 -0.56 -4.82 105.19 99.10 2fn5 n GLY 16 Ca -0.01 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 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 1.01 0.00 0.99 4.77 -1.26 -3.66 117.00 118.84 2fn5 n LEU 17 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2fn5 n LEU 17 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2fn5 n LEU 17 CO 0.00 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.18 2fn5 n GLY 18 N 2.33 0.79 3.98 -0.72 0.00 -1.26 -4.51 105.19 105.80 2fn5 n GLY 18 Ca -0.05 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 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 0.02 -0.61 -4.36 -1.26 -3.20 121.20 111.88 2fn5 s ILE 19 Ca 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 60.65 59.93 2fn5 s ILE 19 Cb 0.00 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.07 2fn5 s ILE 19 CO 0.00 0.00 -0.03 -0.44 0.24 0.00 0.00 174.94 174.71 2fn5 s SER 20 N -4.78 0.31 0.23 4.36 0.01 -0.58 -4.84 113.70 108.41 2fn5 s SER 20 Ca 0.68 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 57.62 2fn5 s SER 20 Cb -0.05 0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 2fn5 s SER 20 CO 0.46 -0.21 -0.10 0.27 0.41 0.00 0.00 173.24 174.08 2fn5 s ILE 21 N -1.10 1.62 -0.03 1.44 -5.25 -1.26 0.03 121.20 116.65 2fn5 s ILE 21 Ca -0.11 -2.16 0.03 0.00 -0.99 0.00 0.00 60.65 57.42 2fn5 s ILE 21 Cb -0.08 -2.23 0.00 0.00 2.95 0.00 0.00 42.46 43.11 2fn5 s ILE 21 CO -0.01 -0.46 -0.10 -0.51 -1.79 0.00 0.00 174.94 172.07 2fn5 s ILE 22 N -3.04 0.91 -0.55 8.37 2.07 0.10 -4.61 121.20 124.46 2fn5 s ILE 22 Ca 0.26 -0.42 -0.19 0.00 -1.41 0.00 0.00 60.65 58.89 2fn5 s ILE 22 Cb 0.02 -0.81 0.09 0.00 0.13 0.00 0.00 42.46 41.88 2fn5 s ILE 22 CO 0.09 0.28 0.64 -0.83 -1.91 0.00 0.00 174.94 173.21 2fn5 s GLY 23 N 0.24 1.81 -0.50 1.50 0.00 -1.26 -0.71 107.32 108.39 2fn5 s GLY 23 Ca -0.05 -2.05 0.01 0.00 0.00 0.00 0.00 44.72 42.64 2fn5 s GLY 23 CO 0.01 1.48 0.26 1.06 0.00 0.00 0.00 173.10 175.92 2fn5 s MET 24 N 2.54 2.05 -0.40 2.90 -1.94 0.10 -4.93 119.30 119.62 2fn5 s MET 24 Ca 0.12 -2.34 -0.31 0.00 -1.71 0.00 0.00 55.69 51.44 2fn5 s MET 24 Cb -0.23 -3.45 -0.10 0.00 2.01 0.00 0.00 34.83 33.06 2fn5 s MET 24 CO 0.08 -1.09 2.29 0.41 -0.01 0.00 0.00 175.02 176.70 2fn5 n GLY 25 N 3.64 0.46 3.17 -0.03 0.00 -1.26 -3.88 105.19 107.30 2fn5 n GLY 25 Ca 0.05 0.86 -0.11 0.00 0.00 0.00 0.00 46.02 46.82 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 8.73 0.41 0.00 1.61 0.11 -1.26 -4.88 120.40 125.12 2fn5 s VAL 26 Ca 1.08 -1.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 2fn5 s VAL 26 Cb -0.63 -1.92 0.00 0.00 -1.53 0.00 0.00 36.38 32.30 2fn5 s VAL 26 CO 0.41 -0.63 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 2fn5 n GLY 27 N -0.10 1.09 0.19 6.54 0.00 -1.26 -3.56 105.19 108.10 2fn5 n GLY 27 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 0.23 -0.03 4.61 0.00 -1.93 0.26 119.26 122.40 2fn5 h ALA 28 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 2fn5 h ALA 28 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2fn5 h ALA 28 CO 0.00 0.54 -0.59 0.22 0.00 0.00 0.00 179.25 179.43 2fn5 h ASP 29 N 0.32 0.09 0.51 0.00 3.58 -1.98 -1.96 116.42 116.98 2fn5 h ASP 29 Ca -0.06 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.25 2fn5 h ASP 29 Cb 1.34 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 2fn5 h ASP 29 CO 0.14 0.66 -0.44 0.00 -2.88 0.00 0.00 179.24 176.72 2fn5 h ALA 30 N 1.34 1.20 0.00 -0.78 0.00 -1.94 -3.47 119.26 115.61 2fn5 h ALA 30 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2fn5 h ALA 30 Cb 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2fn5 h ALA 30 CO 0.08 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2fn5 n GLY 31 N -0.15 0.94 0.02 0.00 0.00 -0.19 -4.95 105.19 100.85 2fn5 n GLY 31 Ca -0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 2.68 -2.98 0.99 7.99 0.39 -5.02 117.00 121.05 2fn5 n LEU 32 Ca 0.00 -0.02 -0.12 0.00 -0.01 0.00 0.00 56.01 55.86 2fn5 n LEU 32 Cb 0.10 -0.10 0.01 0.00 -0.11 0.00 0.00 43.42 43.33 2fn5 n LEU 32 CO 0.00 0.51 -0.17 -0.62 -1.51 0.00 0.00 177.39 175.59 2fn5 n GLU 33 N -2.55 -2.37 0.00 3.23 1.02 0.63 -4.96 120.64 115.64 2fn5 n GLU 33 Ca -0.06 2.02 0.00 0.00 -0.02 0.00 0.00 57.16 59.10 2fn5 n GLU 33 Cb 0.57 -4.53 0.00 0.00 -0.02 0.00 0.00 31.44 27.46 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 0.06 2.67 -2.40 3.49 2.85 -1.23 -4.87 118.16 118.73 2fn5 n LYS 34 Ca 0.04 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.96 2fn5 n LYS 34 Cb 0.41 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.77 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 3.77 -0.18 -5.58 0.05 -1.26 -4.45 118.68 111.02 2fn5 s LEU 35 Ca 0.00 1.97 0.17 0.00 0.05 0.00 0.00 54.13 56.32 2fn5 s LEU 35 Cb 0.00 -4.56 0.45 0.00 -2.05 0.00 0.00 46.19 40.03 2fn5 s LEU 35 CO 0.00 -0.95 1.18 0.61 -0.55 0.00 0.00 176.35 176.64 2fn5 n GLY 36 N -0.26 3.61 3.47 -3.48 0.00 -1.25 -4.58 105.19 102.71 2fn5 n GLY 36 Ca 0.10 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.79 4.23 0.38 -0.61 -1.09 -1.26 0.02 121.20 120.08 2fn5 s ILE 37 Ca 0.38 -0.22 -0.00 0.00 -2.23 0.00 0.00 60.65 58.57 2fn5 s ILE 37 Cb 0.37 -4.72 -0.03 0.00 -1.58 0.00 0.00 42.46 36.50 2fn5 s ILE 37 CO -0.07 -1.51 0.59 -0.36 -1.23 0.00 0.00 174.94 172.37 2fn5 s PHE 38 N 4.33 3.49 -0.03 3.97 0.08 0.11 -1.13 117.98 128.82 2fn5 s PHE 38 Ca 0.24 0.42 -0.26 0.00 0.12 0.00 0.00 56.93 57.45 2fn5 s PHE 38 Cb -0.15 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 2fn5 s PHE 38 CO 0.11 0.03 0.82 0.08 -0.10 0.00 0.00 175.22 176.16 2fn5 s VAL 39 N -2.40 4.94 -0.17 -0.44 1.01 -0.05 0.03 120.40 123.31 2fn5 s VAL 39 Ca 0.42 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 63.94 2fn5 s VAL 39 Cb -0.10 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 31.97 2fn5 s VAL 39 CO 0.38 0.23 0.19 0.11 0.00 0.00 0.00 175.10 176.00 2fn5 h LYS 40 N 6.65 0.00 -3.98 2.72 1.79 -0.63 -3.43 116.57 119.69 2fn5 h LYS 40 Ca -0.41 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 57.96 2fn5 h LYS 40 Cb 1.21 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.71 2fn5 h LYS 40 CO 0.75 0.69 -0.49 0.99 -1.08 0.00 0.00 179.45 180.31 2fn5 s THR 41 N -2.25 0.17 -0.46 -0.16 2.01 -0.96 -4.96 115.64 109.02 2fn5 s THR 41 Ca -0.22 -1.43 0.03 0.00 0.31 0.00 0.00 61.69 60.37 2fn5 s THR 41 Cb 0.03 -1.43 0.15 0.00 0.01 0.00 0.00 72.50 71.25 2fn5 s THR 41 CO 0.47 -0.77 0.29 -0.69 -0.69 0.00 0.00 174.62 173.23 2fn5 s VAL 42 N -3.89 1.25 0.01 3.82 1.01 -1.26 -1.52 120.40 119.82 2fn5 s VAL 42 Ca 0.06 -2.68 0.00 0.00 0.00 0.00 0.00 61.98 59.36 2fn5 s VAL 42 Cb 0.06 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2fn5 s VAL 42 CO -0.10 -0.98 0.00 0.41 0.00 0.00 0.00 175.10 174.43 2fn5 n THR 43 N 3.28 0.00 -0.12 3.92 -1.04 -1.19 -4.43 114.28 114.70 2fn5 n THR 43 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2fn5 n THR 43 Cb 0.37 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 2fn5 n THR 43 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2fn5 n GLU 44 N -1.48 2.45 -2.07 -2.82 0.28 -1.26 -4.91 120.64 110.83 2fn5 n GLU 44 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 2fn5 n GLU 44 Cb 0.02 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.89 2fn5 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2fn5 n GLY 45 N 5.00 5.35 0.00 -1.84 0.00 -1.26 -4.45 105.19 107.99 2fn5 n GLY 45 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 0.90 1.15 0.26 -0.02 0.00 -1.26 -4.73 105.19 101.50 2fn5 n GLY 46 Ca 0.55 -1.93 0.17 0.00 0.00 0.00 0.00 46.02 44.81 2fn5 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 h ALA 47 N -1.24 1.05 0.32 4.61 0.00 -1.91 0.60 119.26 122.70 2fn5 h ALA 47 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2fn5 h ALA 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2fn5 h ALA 47 CO 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 179.25 179.04 2fn5 h ALA 48 N 1.87 -0.45 0.00 0.00 0.00 -1.89 -0.25 119.26 118.54 2fn5 h ALA 48 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2fn5 h ALA 48 Cb 0.12 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2fn5 h ALA 48 CO 0.00 -0.42 -0.23 1.96 0.00 0.00 0.00 179.25 180.56 2fn5 h GLN 49 N -1.08 0.00 -0.29 0.00 4.20 -1.67 -2.46 115.11 113.82 2fn5 h GLN 49 Ca -0.04 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 2fn5 h GLN 49 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2fn5 h GLN 49 CO 0.07 0.23 -0.41 0.00 -0.67 0.00 0.00 178.83 178.06 2fn5 h ARG 50 N 0.00 0.71 -0.14 1.46 2.47 -0.95 -3.14 114.38 114.80 2fn5 h ARG 50 Ca -0.00 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 2fn5 h ARG 50 Cb 0.71 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 2fn5 h ARG 50 CO 0.03 0.99 0.08 0.22 0.56 0.00 0.00 179.97 181.85 2fn5 h ASP 51 N 0.58 0.14 0.00 7.04 3.58 -0.58 -3.46 116.42 123.71 2fn5 h ASP 51 Ca 0.05 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2fn5 h ASP 51 Cb 0.95 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2fn5 h ASP 51 CO 0.09 0.10 0.00 0.61 -2.88 0.00 0.00 179.24 177.16 2fn5 n GLY 52 N -1.13 2.94 0.14 -0.78 0.00 -1.01 -4.79 105.19 100.56 2fn5 n GLY 52 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.90 0.00 -6.02 1.61 1.12 -1.90 -3.43 114.38 107.67 2fn5 h ARG 53 Ca 0.00 0.00 -0.60 0.00 -1.11 0.00 0.00 59.98 58.27 2fn5 h ARG 53 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 29.92 2fn5 h ARG 53 CO 0.00 0.60 -0.41 -1.50 -3.11 0.00 0.00 179.97 175.55 2fn5 s ILE 54 N -3.29 5.29 0.28 1.20 2.07 -1.26 -5.10 121.20 120.39 2fn5 s ILE 54 Ca 0.01 -0.14 0.02 0.00 -1.41 0.00 0.00 60.65 59.13 2fn5 s ILE 54 Cb 0.11 -3.62 -0.05 0.00 0.13 0.00 0.00 42.46 39.02 2fn5 s ILE 54 CO 0.75 0.13 0.09 -1.10 -1.91 0.00 0.00 174.94 172.89 2fn5 s GLN 55 N -2.47 1.49 0.00 3.50 -0.21 -1.26 -4.86 119.66 115.84 2fn5 s GLN 55 Ca 0.37 -1.82 0.30 0.00 0.02 0.00 0.00 55.36 54.22 2fn5 s GLN 55 Cb -0.13 -0.42 1.40 0.00 1.00 0.00 0.00 33.01 34.86 2fn5 s GLN 55 CO 0.25 -0.28 1.96 1.55 -2.12 0.00 0.00 175.29 176.65 2fn5 n VAL 56 N -0.54 0.00 -0.69 1.09 3.14 -1.26 -3.01 118.33 117.07 2fn5 n VAL 56 Ca -0.01 -0.05 0.08 0.00 -2.96 0.00 0.00 64.34 61.41 2fn5 n VAL 56 Cb 0.66 -0.20 0.32 0.00 -1.06 0.00 0.00 33.84 33.56 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 -0.94 4.52 -4.73 6.55 2.85 -1.26 -4.39 115.26 117.86 2fn5 n ASN 57 Ca 0.17 -2.58 -0.23 0.00 -0.11 0.00 0.00 54.58 51.83 2fn5 n ASN 57 Cb 0.24 -0.55 0.10 0.00 1.24 0.00 0.00 39.78 40.82 2fn5 n ASN 57 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2fn5 s ASP 58 N -1.11 4.46 -0.06 1.20 1.01 -1.16 -4.92 116.67 116.10 2fn5 s ASP 58 Ca 0.46 -0.45 -0.01 0.00 0.71 0.00 0.00 52.55 53.27 2fn5 s ASP 58 Cb 0.32 0.04 0.03 0.00 1.01 0.00 0.00 42.92 44.32 2fn5 s ASP 58 CO 0.19 -1.78 0.01 -1.58 0.21 0.00 0.00 175.17 172.22 2fn5 s GLN 59 N -5.06 0.44 -0.35 8.23 0.74 -1.26 -0.87 119.66 121.51 2fn5 s GLN 59 Ca 0.66 0.14 -0.29 0.00 0.05 0.00 0.00 55.36 55.92 2fn5 s GLN 59 Cb -0.05 -0.79 0.00 0.00 1.10 0.00 0.00 33.01 33.27 2fn5 s GLN 59 CO 0.43 -0.26 1.43 0.42 -0.55 0.00 0.00 175.29 176.77 2fn5 s ILE 60 N 1.76 3.91 -0.22 -2.34 -1.09 -0.28 -4.33 121.20 118.62 2fn5 s ILE 60 Ca 0.01 0.97 -0.19 0.00 -2.23 0.00 0.00 60.65 59.22 2fn5 s ILE 60 Cb -0.13 -4.09 -0.16 0.00 -1.58 0.00 0.00 42.46 36.50 2fn5 s ILE 60 CO -0.04 -0.60 0.05 0.52 -1.23 0.00 0.00 174.94 173.64 2fn5 n VAL 61 N 6.79 1.52 -3.34 2.92 0.31 -0.89 -4.70 118.33 120.95 2fn5 n VAL 61 Ca 0.17 -0.07 -0.08 0.00 -0.01 0.00 0.00 64.34 64.35 2fn5 n VAL 61 Cb 0.47 -2.05 -0.07 0.00 -0.91 0.00 0.00 33.84 31.28 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 -2.39 0.37 -0.20 5.55 2.12 0.17 -3.48 118.70 120.83 2fn5 s GLU 62 Ca -0.29 0.58 -0.09 0.00 0.36 0.00 0.00 54.97 55.53 2fn5 s GLU 62 Cb 0.07 -0.38 -0.04 0.00 0.26 0.00 0.00 34.13 34.03 2fn5 s GLU 62 CO 0.53 -0.64 0.10 0.08 -0.54 0.00 0.00 175.26 174.79 2fn5 s VAL 63 N 2.57 5.07 -0.09 3.70 1.01 -1.26 0.36 120.40 131.76 2fn5 s VAL 63 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2fn5 s VAL 63 Cb -0.15 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2fn5 s VAL 63 CO -0.16 0.44 0.00 -0.67 0.00 0.00 0.00 175.10 174.70 2fn5 n ASP 64 N 3.66 -5.21 0.00 3.32 2.03 -0.09 -0.61 116.55 119.65 2fn5 n ASP 64 Ca -0.16 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2fn5 n ASP 64 Cb 0.52 -2.79 0.00 0.00 -0.72 0.00 0.00 41.12 38.13 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 -0.08 0.39 0.22 0.27 0.00 -1.26 -4.92 105.19 99.81 2fn5 n GLY 65 Ca -0.01 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 -5.96 -0.61 2.10 -1.19 -3.48 117.51 108.37 2fn5 h ILE 66 Ca 0.00 -0.73 -0.12 0.00 1.08 0.00 0.00 64.86 65.09 2fn5 h ILE 66 Cb 0.00 1.71 0.01 0.00 -1.09 0.00 0.00 36.82 37.45 2fn5 h ILE 66 CO 0.00 0.00 -0.97 -1.54 -1.08 0.00 0.00 178.15 174.56 2fn5 n SER 67 N -2.93 -6.83 -1.55 2.19 3.41 -1.26 -4.89 113.62 101.76 2fn5 n SER 67 Ca 0.03 0.47 0.07 0.00 -0.26 0.00 0.00 58.87 59.19 2fn5 n SER 67 Cb 0.43 -3.14 0.33 0.00 -0.26 0.00 0.00 64.21 61.57 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 0.41 4.58 -4.55 1.04 -0.00 -1.23 -4.87 117.00 112.39 2fn5 n LEU 68 Ca -0.00 -2.32 -0.30 0.00 -0.00 0.00 0.00 56.01 53.39 2fn5 n LEU 68 Cb 0.45 -0.59 -0.05 0.00 -0.00 0.00 0.00 43.42 43.22 2fn5 n LEU 68 CO 0.36 0.66 1.84 0.52 -0.00 0.00 0.00 177.39 180.77 2fn5 n VAL 69 N 0.80 -0.06 0.00 1.47 0.31 -1.23 -2.40 118.33 117.21 2fn5 n VAL 69 Ca 0.23 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2fn5 n VAL 69 Cb 0.91 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 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 6.23 0.65 3.36 2.92 0.00 -1.26 -4.74 105.19 112.36 2fn5 n GLY 70 Ca 0.42 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.27 0.46 0.67 1.61 -7.23 -1.01 -4.95 120.40 108.67 2fn5 s VAL 71 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2fn5 s VAL 71 Cb 0.00 -2.53 0.10 0.00 0.56 0.00 0.00 36.38 34.51 2fn5 s VAL 71 CO 0.00 0.00 0.93 0.42 -0.31 0.00 0.00 175.10 176.14 2fn5 s THR 72 N -3.56 2.28 0.37 5.32 -4.23 -1.26 -4.69 115.64 109.87 2fn5 s THR 72 Ca 0.35 -0.62 0.11 0.00 -1.18 0.00 0.00 61.69 60.34 2fn5 s THR 72 Cb 0.05 -2.66 0.11 0.00 1.34 0.00 0.00 72.50 71.35 2fn5 s THR 72 CO 0.16 0.00 1.84 0.06 -0.54 0.00 0.00 174.62 176.15 2fn5 h GLN 73 N -0.34 0.13 -0.28 3.99 -0.00 -1.93 -1.50 115.11 115.17 2fn5 h GLN 73 Ca -0.38 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.65 58.09 2fn5 h GLN 73 Cb 1.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.74 2fn5 h GLN 73 CO 0.44 0.41 -0.40 -2.95 -0.00 0.00 0.00 178.83 176.33 2fn5 h ASN 74 N 0.11 0.71 0.07 0.06 7.08 -1.98 0.26 115.58 121.89 2fn5 h ASN 74 Ca 0.02 -0.32 -0.00 0.00 -3.08 0.00 0.00 56.30 52.92 2fn5 h ASN 74 Cb 0.57 -0.20 0.00 0.00 -2.08 0.00 0.00 38.32 36.61 2fn5 h ASN 74 CO 0.04 1.02 -0.03 0.15 -2.08 0.00 0.00 177.43 176.53 2fn5 h PHE 75 N 0.55 -0.09 -0.32 4.14 3.04 -1.86 -2.37 116.94 120.04 2fn5 h PHE 75 Ca 0.05 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.01 2fn5 h PHE 75 Cb 0.92 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.44 2fn5 h PHE 75 CO 0.04 0.30 0.18 0.00 -2.02 0.00 0.00 178.31 176.82 2fn5 h ALA 76 N 0.39 0.40 -0.77 2.41 0.00 -1.17 -1.07 119.26 119.45 2fn5 h ALA 76 Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2fn5 h ALA 76 Cb 0.43 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2fn5 h ALA 76 CO 0.02 -0.18 0.50 0.00 0.00 0.00 0.00 179.25 179.59 2fn5 h ALA 77 N 1.14 1.60 -0.51 0.00 0.00 -0.52 0.34 119.26 121.31 2fn5 h ALA 77 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2fn5 h ALA 77 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2fn5 h ALA 77 CO -0.06 0.31 0.11 1.15 0.00 0.00 0.00 179.25 180.76 2fn5 h THR 78 N 0.88 1.24 0.15 0.00 2.02 -0.77 -0.59 112.91 115.84 2fn5 h THR 78 Ca 0.32 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2fn5 h THR 78 Cb 0.14 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2fn5 h THR 78 CO -0.10 0.32 -0.07 0.58 0.37 0.00 0.00 175.52 176.62 2fn5 h VAL 79 N 0.72 0.88 0.00 3.16 2.07 0.06 0.03 116.25 123.17 2fn5 h VAL 79 Ca 0.16 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2fn5 h VAL 79 Cb 0.35 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2fn5 h VAL 79 CO 0.00 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.80 2fn5 n LEU 80 N -5.15 0.00 -0.10 2.57 7.99 -0.03 -1.22 117.00 121.06 2fn5 n LEU 80 Ca -0.09 0.12 -0.10 0.00 -0.01 0.00 0.00 56.01 55.93 2fn5 n LEU 80 Cb 0.13 -0.12 -0.16 0.00 -0.11 0.00 0.00 43.42 43.16 2fn5 n LEU 80 CO 0.34 -0.06 -1.13 -1.14 -1.51 0.00 0.00 177.39 173.89 2fn5 n ARG 81 N -1.12 0.69 -0.00 3.23 0.00 -0.24 -4.36 116.66 114.85 2fn5 n ARG 81 Ca 0.10 0.01 0.14 0.00 -0.00 0.00 0.00 57.85 58.10 2fn5 n ARG 81 Cb 0.08 -1.53 0.65 0.00 0.00 0.00 0.00 32.46 31.66 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 -2.77 1.03 -4.76 6.15 3.02 -0.08 -4.89 115.26 112.96 2fn5 n ASN 82 Ca -0.32 -1.35 -0.36 0.00 -0.03 0.00 0.00 54.58 52.51 2fn5 n ASN 82 Cb 1.15 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 40.34 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 -1.99 2.70 0.00 3.41 -4.23 -1.02 -5.05 115.64 109.45 2fn5 s THR 83 Ca 0.41 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 2fn5 s THR 83 Cb 0.21 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2fn5 s THR 83 CO 0.34 -0.07 0.00 2.29 -0.54 0.00 0.00 174.62 176.64 2fn5 n LYS 84 N -1.27 3.86 0.00 3.99 -0.00 -1.26 -4.18 118.16 119.29 2fn5 n LYS 84 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 2fn5 n LYS 84 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.52 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 4.82 -2.94 3.60 2.58 0.00 -1.16 -4.47 105.19 107.63 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 -2.19 6.55 -0.08 1.61 0.01 -1.25 0.21 114.94 119.80 2fn5 s ASN 86 Ca 0.00 0.53 0.04 0.00 -0.71 0.00 0.00 52.86 52.72 2fn5 s ASN 86 Cb 0.00 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.11 2fn5 s ASN 86 CO 0.00 -1.31 -0.22 -0.69 -1.51 0.00 0.00 177.10 173.37 2fn5 s VAL 87 N 4.73 1.88 -0.59 1.60 1.01 0.89 -4.93 120.40 124.99 2fn5 s VAL 87 Ca 0.51 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 2fn5 s VAL 87 Cb -0.09 -1.62 0.13 0.00 0.00 0.00 0.00 36.38 34.80 2fn5 s VAL 87 CO 0.32 0.52 0.59 -0.13 0.00 0.00 0.00 175.10 176.40 2fn5 s ARG 88 N 0.30 3.08 -0.58 2.72 0.52 -1.26 0.16 118.95 123.89 2fn5 s ARG 88 Ca -0.15 -1.71 -0.22 0.00 -0.52 0.00 0.00 55.73 53.13 2fn5 s ARG 88 Cb -0.17 -4.32 0.06 0.00 0.52 0.00 0.00 34.95 31.05 2fn5 s ARG 88 CO 0.07 -1.38 0.86 -0.06 0.02 0.00 0.00 175.30 174.81 2fn5 s PHE 89 N 1.71 2.82 -0.78 -0.53 0.40 0.93 -0.91 117.98 121.63 2fn5 s PHE 89 Ca 0.07 -0.41 -0.21 0.00 -0.60 0.00 0.00 56.93 55.79 2fn5 s PHE 89 Cb -0.26 -4.04 0.10 0.00 0.51 0.00 0.00 43.02 39.33 2fn5 s PHE 89 CO 0.02 -1.39 1.03 0.08 0.70 0.00 0.00 175.22 175.66 2fn5 s VAL 90 N 3.60 4.53 0.17 -0.44 1.01 0.16 0.46 120.40 129.88 2fn5 s VAL 90 Ca 0.22 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.33 2fn5 s VAL 90 Cb -0.17 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 2fn5 s VAL 90 CO 0.13 -1.47 -0.05 -0.63 0.00 0.00 0.00 175.10 173.09 2fn5 s ILE 91 N 3.38 3.49 0.12 2.22 1.01 -0.45 -0.65 121.20 130.31 2fn5 s ILE 91 Ca 0.26 -1.49 0.10 0.00 0.00 0.00 0.00 60.65 59.53 2fn5 s ILE 91 Cb -0.12 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2fn5 s ILE 91 CO 0.01 -0.08 -0.26 -0.83 0.00 0.00 0.00 174.94 173.77 2fn5 s GLY 92 N -2.82 1.51 -0.04 6.18 0.00 -1.26 -0.41 107.32 110.49 2fn5 s GLY 92 Ca 0.26 -1.42 0.06 0.00 0.00 0.00 0.00 44.72 43.62 2fn5 s GLY 92 CO 0.17 -1.40 -0.24 -1.60 0.00 0.00 0.00 173.10 170.03 2fn5 s ARG 93 N -1.99 2.26 0.00 2.90 6.06 0.18 -4.76 118.95 123.59 2fn5 s ARG 93 Ca 0.13 -0.85 0.29 0.00 -2.50 0.00 0.00 55.73 52.79 2fn5 s ARG 93 Cb -0.10 -2.00 1.18 0.00 0.06 0.00 0.00 34.95 34.09 2fn5 s ARG 93 CO 0.05 0.41 1.82 -0.85 -2.50 0.00 0.00 175.30 174.23