#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 3.01 -0.33 1.61 0.09 -1.26 -4.91 115.29 113.49 2fn5 s HIS 2 Ca 0.00 0.92 -0.29 0.00 -0.00 0.00 0.00 55.06 55.69 2fn5 s HIS 2 Cb 0.00 -3.96 0.01 0.00 -0.00 0.00 0.00 32.58 28.62 2fn5 s HIS 2 CO 0.00 -0.97 1.27 1.41 -0.00 0.00 0.00 174.74 176.44 2fn5 s MET 3 N 3.92 3.87 -0.46 1.40 0.00 -1.26 -4.37 119.30 122.41 2fn5 s MET 3 Ca 0.45 1.11 -0.26 0.00 0.00 0.00 0.00 55.69 56.99 2fn5 s MET 3 Cb -0.10 -3.88 0.03 0.00 0.00 0.00 0.00 34.83 30.87 2fn5 s MET 3 CO 0.22 -1.17 0.98 -2.00 0.00 0.00 0.00 175.02 173.05 2fn5 s GLU 4 N 4.22 3.62 -0.05 4.11 2.12 -0.44 -4.80 118.70 127.48 2fn5 s GLU 4 Ca 0.54 0.32 -0.25 0.00 0.36 0.00 0.00 54.97 55.94 2fn5 s GLU 4 Cb -0.15 -3.91 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 2fn5 s GLU 4 CO 0.24 -1.24 0.75 -0.51 -0.54 0.00 0.00 175.26 173.96 2fn5 s LEU 5 N 3.92 4.34 -0.00 2.70 2.01 -1.26 -0.33 118.68 130.06 2fn5 s LEU 5 Ca 0.40 1.29 0.00 0.00 0.01 0.00 0.00 54.13 55.83 2fn5 s LEU 5 Cb -0.09 -3.18 -0.00 0.00 0.01 0.00 0.00 46.19 42.93 2fn5 s LEU 5 CO 0.27 -0.13 -0.01 0.72 1.01 0.00 0.00 176.35 178.21 2fn5 s PHE 6 N 0.76 0.07 -0.20 0.29 -0.12 0.91 -4.95 117.98 114.75 2fn5 s PHE 6 Ca 0.40 -0.01 -0.27 0.00 -0.05 0.00 0.00 56.93 57.00 2fn5 s PHE 6 Cb -0.18 -0.05 -0.00 0.00 -0.63 0.00 0.00 43.02 42.15 2fn5 s PHE 6 CO 0.20 -0.00 0.91 -1.25 -0.05 0.00 0.00 175.22 175.03 2fn5 s PRO 7 N -0.00 4.27 -0.38 1.99 0.04 -1.26 -1.50 135.00 138.17 2fn5 s PRO 7 Ca 0.00 1.14 -0.05 0.00 0.04 0.00 0.00 61.00 62.13 2fn5 s PRO 7 Cb -0.01 -3.61 0.08 0.00 0.04 0.00 0.00 34.50 31.01 2fn5 s PRO 7 CO -0.00 -0.46 0.16 0.08 0.04 0.00 0.00 177.00 176.82 2fn5 s VAL 8 N 2.60 3.54 -0.57 -0.36 1.01 0.16 -4.90 120.40 121.87 2fn5 s VAL 8 Ca 0.40 -1.59 -0.25 0.00 0.00 0.00 0.00 61.98 60.55 2fn5 s VAL 8 Cb -0.16 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.06 2fn5 s VAL 8 CO 0.10 -0.43 0.99 -0.70 0.00 0.00 0.00 175.10 175.06 2fn5 s GLU 9 N 1.28 3.34 0.16 2.72 2.12 -1.24 0.08 118.70 127.16 2fn5 s GLU 9 Ca 0.02 -0.23 -0.04 0.00 0.36 0.00 0.00 54.97 55.09 2fn5 s GLU 9 Cb -0.22 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.06 2fn5 s GLU 9 CO -0.01 -1.55 0.39 -1.17 -0.54 0.00 0.00 175.26 172.37 2fn5 s LEU 10 N 4.15 4.25 -0.54 2.70 2.96 0.70 -4.85 118.68 128.04 2fn5 s LEU 10 Ca 0.32 0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 54.77 2fn5 s LEU 10 Cb -0.12 -3.28 0.14 0.00 0.50 0.00 0.00 46.19 43.43 2fn5 s LEU 10 CO 0.19 0.02 0.32 -0.70 -1.32 0.00 0.00 176.35 174.86 2fn5 s GLU 11 N -2.87 2.23 0.87 1.98 2.12 -1.25 -0.65 118.70 121.13 2fn5 s GLU 11 Ca 0.40 -2.40 -0.10 0.00 0.36 0.00 0.00 54.97 53.23 2fn5 s GLU 11 Cb -0.12 -3.55 0.17 0.00 0.26 0.00 0.00 34.13 30.89 2fn5 s GLU 11 CO 0.26 -1.12 1.20 0.15 -0.54 0.00 0.00 175.26 175.21 2fn5 s LYS 12 N 0.13 1.06 0.68 4.30 -0.14 0.14 -4.69 119.74 121.22 2fn5 s LYS 12 Ca 0.15 -0.64 -0.04 0.00 -1.36 0.00 0.00 55.97 54.08 2fn5 s LYS 12 Cb -0.22 -2.02 0.07 0.00 -1.68 0.00 0.00 37.83 33.98 2fn5 s LYS 12 CO -0.03 -2.04 0.95 0.16 -0.76 0.00 0.00 175.35 173.63 2fn5 s ASP 13 N -4.82 4.76 0.51 2.83 -4.77 -1.26 -4.41 116.67 109.50 2fn5 s ASP 13 Ca 0.71 0.13 0.34 0.00 -3.30 0.00 0.00 52.55 50.43 2fn5 s ASP 13 Cb -0.05 -0.76 1.69 0.00 -1.09 0.00 0.00 42.92 42.71 2fn5 s ASP 13 CO 0.50 -1.58 2.03 1.05 0.70 0.00 0.00 175.17 177.87 2fn5 h GLU 14 N -0.44 0.00 -0.14 2.11 4.11 -1.98 -1.71 114.58 116.53 2fn5 h GLU 14 Ca -0.42 0.00 -0.11 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 0.52 0.00 -0.38 0.22 0.07 0.00 0.00 179.01 179.44 2fn5 h ASP 15 N 0.00 0.31 0.00 3.06 3.58 -1.96 -3.48 116.42 117.93 2fn5 h ASP 15 Ca 0.00 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2fn5 h ASP 15 Cb 0.20 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2fn5 h ASP 15 CO 0.00 0.67 0.00 0.61 -2.88 0.00 0.00 179.24 177.64 2fn5 n GLY 16 N -0.22 0.12 0.32 -0.78 0.00 -0.64 -4.73 105.19 99.26 2fn5 n GLY 16 Ca -0.01 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 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 1.60 -0.97 0.99 4.77 -1.26 -4.09 117.00 118.04 2fn5 n LEU 17 Ca 0.00 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.15 2fn5 n LEU 17 Cb 0.00 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 2fn5 n LEU 17 CO 0.00 0.24 -0.11 0.61 -1.33 0.00 0.00 177.39 176.80 2fn5 n GLY 18 N 1.69 0.61 4.01 -0.72 0.00 -1.26 -4.60 105.19 104.93 2fn5 n GLY 18 Ca -0.35 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.44 2.29 0.05 -0.61 -4.36 -1.26 -3.75 121.20 111.11 2fn5 s ILE 19 Ca 0.00 -1.06 0.04 0.00 -0.26 0.00 0.00 60.65 59.37 2fn5 s ILE 19 Cb 0.00 -2.35 -0.02 0.00 1.25 0.00 0.00 42.46 41.33 2fn5 s ILE 19 CO 0.00 0.00 -0.11 -0.44 0.24 0.00 0.00 174.94 174.63 2fn5 s SER 20 N -4.54 1.34 0.37 4.36 0.01 0.37 -4.96 113.70 110.65 2fn5 s SER 20 Ca 0.57 -0.53 0.08 0.00 1.31 0.00 0.00 55.95 57.38 2fn5 s SER 20 Cb -0.06 -0.03 -0.07 0.00 0.21 0.00 0.00 66.02 66.07 2fn5 s SER 20 CO 0.36 -0.09 -0.05 0.27 0.41 0.00 0.00 173.24 174.14 2fn5 s ILE 21 N -1.16 2.15 -0.04 1.44 -5.25 -1.26 0.07 121.20 117.16 2fn5 s ILE 21 Ca -0.04 -2.11 0.02 0.00 -0.99 0.00 0.00 60.65 57.53 2fn5 s ILE 21 Cb -0.09 -2.80 0.01 0.00 2.95 0.00 0.00 42.46 42.53 2fn5 s ILE 21 CO 0.01 -0.12 -0.07 -0.51 -1.79 0.00 0.00 174.94 172.47 2fn5 s ILE 22 N -2.65 0.65 -0.62 8.37 2.07 0.77 -4.43 121.20 125.37 2fn5 s ILE 22 Ca 0.34 -0.23 -0.23 0.00 -1.41 0.00 0.00 60.65 59.12 2fn5 s ILE 22 Cb 0.06 -0.63 0.06 0.00 0.13 0.00 0.00 42.46 42.08 2fn5 s ILE 22 CO 0.17 0.23 0.93 -0.83 -1.91 0.00 0.00 174.94 173.54 2fn5 s GLY 23 N 0.60 1.41 0.46 1.50 0.00 -1.26 -1.41 107.32 108.62 2fn5 s GLY 23 Ca -0.09 -1.67 0.05 0.00 0.00 0.00 0.00 44.72 43.02 2fn5 s GLY 23 CO 0.01 2.01 0.15 1.06 0.00 0.00 0.00 173.10 176.33 2fn5 s MET 24 N 3.91 2.18 -0.56 2.90 -1.94 0.10 -4.95 119.30 120.94 2fn5 s MET 24 Ca 0.24 -2.05 0.04 0.00 -1.71 0.00 0.00 55.69 52.21 2fn5 s MET 24 Cb -0.16 -1.84 0.15 0.00 2.01 0.00 0.00 34.83 34.99 2fn5 s MET 24 CO 0.13 -0.25 0.35 0.20 -0.01 0.00 0.00 175.02 175.44 2fn5 s GLY 25 N -3.93 2.35 0.18 -0.03 0.00 -1.26 -3.22 107.32 101.41 2fn5 s GLY 25 Ca 0.31 -3.27 0.10 0.00 0.00 0.00 0.00 44.72 41.85 2fn5 s GLY 25 CO 0.17 1.26 -0.21 0.54 0.00 0.00 0.00 173.10 174.86 2fn5 s VAL 26 N -0.57 2.09 0.00 1.40 0.11 -1.26 -4.78 120.40 117.38 2fn5 s VAL 26 Ca 0.22 -1.98 0.00 0.00 -2.93 0.00 0.00 61.98 57.29 2fn5 s VAL 26 Cb -0.14 -1.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 2fn5 s VAL 26 CO -0.08 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.08 2fn5 n GLY 27 N 0.27 2.44 0.11 6.54 0.00 -1.26 -3.96 105.19 109.33 2fn5 n GLY 27 Ca -0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 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 0.73 -0.52 4.61 0.00 -1.86 0.26 119.26 122.48 2fn5 h ALA 28 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 2fn5 h ALA 28 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2fn5 h ALA 28 CO 0.00 0.93 -0.15 0.38 0.00 0.00 0.00 179.25 180.41 2fn5 h ASP 29 N 0.02 1.04 0.84 0.00 2.03 -1.89 -2.84 116.42 115.62 2fn5 h ASP 29 Ca -0.01 -0.37 -0.05 0.00 -0.73 0.00 0.00 57.03 55.87 2fn5 h ASP 29 Cb 1.35 -0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 39.55 2fn5 h ASP 29 CO 0.10 1.17 -0.25 0.00 -1.03 0.00 0.00 179.24 179.24 2fn5 h ALA 30 N 0.90 1.04 0.00 4.15 0.00 -1.85 -3.47 119.26 120.04 2fn5 h ALA 30 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2fn5 h ALA 30 Cb 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2fn5 h ALA 30 CO 0.06 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.03 2fn5 n GLY 31 N 0.08 0.75 0.07 0.00 0.00 -0.23 -4.90 105.19 100.97 2fn5 n GLY 31 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -2.83 0.99 4.32 -0.52 -5.00 117.00 113.96 2fn5 n LEU 32 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 2fn5 n LEU 32 Cb 0.00 0.35 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 2fn5 n LEU 32 CO 0.00 0.35 -0.48 -0.62 -1.22 0.00 0.00 177.39 175.42 2fn5 n GLU 33 N -2.58 -2.81 -2.78 3.23 1.02 0.77 -4.95 120.64 112.53 2fn5 n GLU 33 Ca -0.24 2.36 -0.08 0.00 -0.02 0.00 0.00 57.16 59.18 2fn5 n GLU 33 Cb 0.98 -4.48 -0.02 0.00 -0.02 0.00 0.00 31.44 27.89 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 0.80 0.92 -2.40 3.49 2.85 -1.25 -4.82 118.16 117.74 2fn5 n LYS 34 Ca 0.00 -1.12 -0.35 0.00 -1.05 0.00 0.00 58.31 55.80 2fn5 n LYS 34 Cb 0.12 0.57 -0.02 0.00 -0.65 0.00 0.00 35.03 35.05 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 3.82 -0.29 -5.58 0.05 -1.26 -4.46 118.68 110.97 2fn5 s LEU 35 Ca 0.06 2.07 0.10 0.00 0.05 0.00 0.00 54.13 56.41 2fn5 s LEU 35 Cb 0.00 -4.54 0.54 0.00 -2.05 0.00 0.00 46.19 40.15 2fn5 s LEU 35 CO 0.04 -0.98 1.53 0.61 -0.55 0.00 0.00 176.35 177.00 2fn5 n GLY 36 N 0.01 4.63 3.53 -3.48 0.00 -1.20 -4.58 105.19 104.09 2fn5 n GLY 36 Ca 0.10 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.16 4.11 0.47 -0.61 -1.09 -1.25 -0.72 121.20 118.94 2fn5 s ILE 37 Ca 0.46 0.29 0.05 0.00 -2.23 0.00 0.00 60.65 59.22 2fn5 s ILE 37 Cb 0.40 -4.72 0.02 0.00 -1.58 0.00 0.00 42.46 36.58 2fn5 s ILE 37 CO 0.04 -1.45 0.65 -0.36 -1.23 0.00 0.00 174.94 172.58 2fn5 s PHE 38 N 4.69 2.88 -0.05 3.97 0.08 -0.50 -2.92 117.98 126.14 2fn5 s PHE 38 Ca 0.32 -0.19 -0.27 0.00 0.12 0.00 0.00 56.93 56.92 2fn5 s PHE 38 Cb -0.11 -2.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 2fn5 s PHE 38 CO 0.17 -0.56 0.84 0.08 -0.10 0.00 0.00 175.22 175.65 2fn5 s VAL 39 N -2.52 4.95 -0.21 -0.44 1.01 -0.81 -0.16 120.40 122.22 2fn5 s VAL 39 Ca 0.55 1.74 -0.13 0.00 0.00 0.00 0.00 61.98 64.13 2fn5 s VAL 39 Cb -0.10 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 31.92 2fn5 s VAL 39 CO 0.35 0.19 0.06 1.17 0.00 0.00 0.00 175.10 176.87 2fn5 n LYS 40 N 3.99 0.63 -3.74 2.72 3.00 0.11 -4.71 118.16 120.16 2fn5 n LYS 40 Ca 0.03 0.37 -0.10 0.00 -0.00 0.00 0.00 58.31 58.61 2fn5 n LYS 40 Cb 0.51 -1.65 -0.05 0.00 0.00 0.00 0.00 35.03 33.84 2fn5 n LYS 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2fn5 s THR 41 N -2.46 0.08 0.00 3.15 2.01 -0.89 -4.96 115.64 112.57 2fn5 s THR 41 Ca -0.30 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 60.86 2fn5 s THR 41 Cb 0.09 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 2fn5 s THR 41 CO 0.61 -0.35 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.46 2fn5 s VAL 42 N -3.85 0.27 0.36 3.82 1.01 -1.26 -0.48 120.40 120.27 2fn5 s VAL 42 Ca 0.06 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 2fn5 s VAL 42 Cb 0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 36.38 36.05 2fn5 s VAL 42 CO -0.09 0.00 0.83 0.28 0.00 0.00 0.00 175.10 176.12 2fn5 s THR 43 N -0.26 4.53 -0.19 3.92 -1.32 -1.25 -4.93 115.64 116.15 2fn5 s THR 43 Ca -0.01 1.23 0.22 0.00 -1.21 0.00 0.00 61.69 61.93 2fn5 s THR 43 Cb -0.02 -3.65 -0.11 0.00 -1.51 0.00 0.00 72.50 67.21 2fn5 s THR 43 CO -0.00 -0.19 0.87 1.21 -2.21 0.00 0.00 174.62 174.30 2fn5 n GLU 44 N -0.33 0.61 0.00 7.08 4.07 -1.26 -3.56 120.64 127.24 2fn5 n GLU 44 Ca 0.04 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 2fn5 n GLU 44 Cb 0.53 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 2fn5 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2fn5 n GLY 45 N 1.21 1.67 3.36 8.31 0.00 -1.26 -4.61 105.19 113.88 2fn5 n GLY 45 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.54 -0.43 0.00 -0.02 0.00 -1.26 -5.02 107.32 101.14 2fn5 s GLY 46 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.94 2fn5 s GLY 46 CO 0.00 -0.08 0.37 0.00 0.00 0.00 0.00 173.10 173.40 2fn5 n ALA 47 N -0.24 1.88 -0.06 3.20 0.00 -1.26 -3.55 120.51 120.48 2fn5 n ALA 47 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 2fn5 n ALA 47 Cb 0.64 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 0.83 0.56 0.12 0.00 0.00 -1.26 -3.08 120.51 117.68 2fn5 n ALA 48 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 2fn5 n ALA 48 Cb 0.18 0.02 0.08 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.70 0.00 -0.21 0.00 4.20 -1.62 -0.97 115.11 115.81 2fn5 h GLN 49 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2fn5 h GLN 49 Cb 0.64 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2fn5 h GLN 49 CO 0.00 0.71 -0.04 0.00 -0.67 0.00 0.00 178.83 178.83 2fn5 h ARG 50 N 0.00 0.32 0.33 1.46 2.47 -1.78 -3.06 114.38 114.12 2fn5 h ARG 50 Ca -0.01 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 2fn5 h ARG 50 Cb 1.34 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2fn5 h ARG 50 CO 0.09 0.38 -0.16 0.22 0.56 0.00 0.00 179.97 181.06 2fn5 h ASP 51 N 0.31 -0.38 0.00 7.04 1.82 -1.33 -3.49 116.42 120.39 2fn5 h ASP 51 Ca 0.07 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2fn5 h ASP 51 Cb 0.28 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2fn5 h ASP 51 CO 0.01 -0.09 0.00 0.61 -1.61 0.00 0.00 179.24 178.16 2fn5 n GLY 52 N 0.26 2.39 0.14 -0.78 0.00 -0.42 -4.92 105.19 101.84 2fn5 n GLY 52 Ca -0.06 0.00 0.02 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 2.25 0.00 -6.25 1.61 1.12 -1.90 -3.44 114.38 107.76 2fn5 h ARG 53 Ca 0.00 0.00 -0.56 0.00 -1.11 0.00 0.00 59.98 58.31 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 0.55 -0.26 -1.50 -3.11 0.00 0.00 179.97 175.65 2fn5 s ILE 54 N -2.99 5.11 0.18 1.20 2.07 -1.26 -5.09 121.20 120.41 2fn5 s ILE 54 Ca 0.03 0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.37 2fn5 s ILE 54 Cb 0.08 -3.64 -0.04 0.00 0.13 0.00 0.00 42.46 38.99 2fn5 s ILE 54 CO 0.75 -0.03 0.04 -1.10 -1.91 0.00 0.00 174.94 172.69 2fn5 s GLN 55 N -2.82 1.12 0.07 3.50 -0.21 -1.26 -4.77 119.66 115.28 2fn5 s GLN 55 Ca 0.42 -1.56 0.25 0.00 0.02 0.00 0.00 55.36 54.50 2fn5 s GLN 55 Cb -0.12 -0.08 0.58 0.00 1.00 0.00 0.00 33.01 34.39 2fn5 s GLN 55 CO 0.25 -0.22 1.49 1.55 -2.12 0.00 0.00 175.29 176.24 2fn5 n VAL 56 N -0.24 0.20 1.04 1.09 3.14 -1.26 -3.71 118.33 118.60 2fn5 n VAL 56 Ca -0.04 -0.14 0.11 0.00 -2.96 0.00 0.00 64.34 61.31 2fn5 n VAL 56 Cb 0.64 -0.10 0.34 0.00 -1.06 0.00 0.00 33.84 33.66 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 -1.82 2.17 -3.37 6.55 2.85 -1.26 -4.29 115.26 116.09 2fn5 n ASN 57 Ca 0.05 -1.77 -0.10 0.00 -0.11 0.00 0.00 54.58 52.65 2fn5 n ASN 57 Cb 0.39 -0.11 0.03 0.00 1.24 0.00 0.00 39.78 41.32 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 0.66 1.16 -4.03 1.20 8.00 -1.24 -4.95 116.55 117.34 2fn5 n ASP 58 Ca 0.17 -1.76 -0.24 0.00 0.71 0.00 0.00 54.79 53.68 2fn5 n ASP 58 Cb 0.42 -0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 41.20 2fn5 n ASP 58 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2fn5 s GLN 59 N -3.20 1.52 -0.51 -1.24 0.74 -1.26 -1.92 119.66 113.79 2fn5 s GLN 59 Ca 0.26 -0.41 -0.28 0.00 0.05 0.00 0.00 55.36 54.98 2fn5 s GLN 59 Cb -0.02 -1.30 0.01 0.00 1.10 0.00 0.00 33.01 32.80 2fn5 s GLN 59 CO 0.16 0.07 1.44 0.42 -0.55 0.00 0.00 175.29 176.84 2fn5 s ILE 60 N 0.48 3.80 -0.14 -2.34 -1.09 -1.15 -3.98 121.20 116.78 2fn5 s ILE 60 Ca -0.10 0.73 -0.16 0.00 -2.23 0.00 0.00 60.65 58.89 2fn5 s ILE 60 Cb -0.14 -4.32 -0.25 0.00 -1.58 0.00 0.00 42.46 36.17 2fn5 s ILE 60 CO 0.03 -1.01 0.43 0.58 -1.23 0.00 0.00 174.94 173.73 2fn5 h VAL 61 N 6.44 0.92 -2.21 2.92 2.07 -1.56 -3.46 116.25 121.37 2fn5 h VAL 61 Ca -0.27 -2.33 0.01 0.00 0.82 0.00 0.00 66.70 64.93 2fn5 h VAL 61 Cb 1.10 2.55 -0.23 0.00 -1.52 0.00 0.00 31.29 33.19 2fn5 h VAL 61 CO 1.15 0.65 -0.21 -0.70 0.02 0.00 0.00 177.57 178.47 2fn5 s GLU 62 N -2.46 0.49 -0.14 1.57 2.12 0.32 -4.03 118.70 116.56 2fn5 s GLU 62 Ca -0.23 1.27 -0.01 0.00 0.36 0.00 0.00 54.97 56.36 2fn5 s GLU 62 Cb 0.05 0.61 -0.02 0.00 0.26 0.00 0.00 34.13 35.03 2fn5 s GLU 62 CO 0.72 -0.21 -0.10 0.08 -0.54 0.00 0.00 175.26 175.21 2fn5 s VAL 63 N 2.67 3.29 0.00 3.70 1.01 -1.26 0.33 120.40 130.14 2fn5 s VAL 63 Ca -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2fn5 s VAL 63 Cb -0.11 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2fn5 s VAL 63 CO -0.17 0.51 0.00 -0.67 0.00 0.00 0.00 175.10 174.77 2fn5 n ASP 64 N 3.64 -3.73 0.00 3.32 -0.08 -0.77 -0.52 116.55 118.41 2fn5 n ASP 64 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2fn5 n ASP 64 Cb 0.52 -2.25 0.00 0.00 2.34 0.00 0.00 41.12 41.73 2fn5 n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2fn5 n GLY 65 N -0.79 0.47 0.18 0.27 0.00 -1.26 -4.94 105.19 99.12 2fn5 n GLY 65 Ca 0.00 -0.94 0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 0.45 -5.98 -0.61 2.10 -1.15 -3.49 117.51 108.83 2fn5 h ILE 66 Ca 0.00 -1.60 -0.18 0.00 1.08 0.00 0.00 64.86 64.15 2fn5 h ILE 66 Cb 0.06 2.19 0.01 0.00 -1.09 0.00 0.00 36.82 37.99 2fn5 h ILE 66 CO 0.00 0.25 -0.93 -1.54 -1.08 0.00 0.00 178.15 174.85 2fn5 n SER 67 N -3.18 -6.68 -1.48 2.19 3.41 -1.26 -4.86 113.62 101.77 2fn5 n SER 67 Ca 0.03 0.28 -0.09 0.00 -0.26 0.00 0.00 58.87 58.82 2fn5 n SER 67 Cb 0.62 -3.24 0.06 0.00 -0.26 0.00 0.00 64.21 61.40 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 0.02 4.50 -4.57 1.04 -0.00 -1.26 -4.85 117.00 111.89 2fn5 n LEU 68 Ca 0.00 -2.33 -0.41 0.00 -0.00 0.00 0.00 56.01 53.27 2fn5 n LEU 68 Cb 0.53 -0.66 -0.03 0.00 -0.00 0.00 0.00 43.42 43.27 2fn5 n LEU 68 CO 0.46 0.74 1.34 -0.69 -0.00 0.00 0.00 177.39 179.24 2fn5 s VAL 69 N -1.25 3.67 0.00 1.47 1.01 -1.26 -2.34 120.40 121.70 2fn5 s VAL 69 Ca 0.21 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2fn5 s VAL 69 Cb 0.18 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2fn5 s VAL 69 CO 0.04 -1.13 0.00 0.61 0.00 0.00 0.00 175.10 174.62 2fn5 n GLY 70 N 5.37 1.73 3.77 4.51 0.00 -1.26 -4.76 105.19 114.56 2fn5 n GLY 70 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 2.33 0.59 1.61 -7.23 -0.99 -4.98 120.40 109.72 2fn5 s VAL 71 Ca 0.00 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 2fn5 s VAL 71 Cb 0.00 -2.96 0.06 0.00 0.56 0.00 0.00 36.38 34.04 2fn5 s VAL 71 CO 0.00 0.00 0.82 0.42 -0.31 0.00 0.00 175.10 176.03 2fn5 s THR 72 N -2.59 2.53 0.52 5.32 -4.23 -1.26 -4.67 115.64 111.26 2fn5 s THR 72 Ca 0.42 -0.68 0.20 0.00 -1.18 0.00 0.00 61.69 60.45 2fn5 s THR 72 Cb 0.02 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.29 2fn5 s THR 72 CO 0.23 0.00 2.14 0.06 -0.54 0.00 0.00 174.62 176.52 2fn5 h GLN 73 N -0.04 0.00 -0.09 3.99 -0.00 -1.92 -0.66 115.11 116.39 2fn5 h GLN 73 Ca -0.40 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.06 2fn5 h GLN 73 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.77 2fn5 h GLN 73 CO 0.49 0.04 -0.74 -2.95 -0.00 0.00 0.00 178.83 175.67 2fn5 h ASN 74 N 0.00 0.58 -0.01 0.06 7.08 -1.98 0.16 115.58 121.46 2fn5 h ASN 74 Ca -0.00 -0.38 -0.00 0.00 -3.08 0.00 0.00 56.30 52.84 2fn5 h ASN 74 Cb 0.08 -0.17 -0.00 0.00 -2.08 0.00 0.00 38.32 36.15 2fn5 h ASN 74 CO 0.01 1.13 -0.01 0.15 -2.08 0.00 0.00 177.43 176.63 2fn5 h PHE 75 N 0.33 0.02 -0.35 4.14 3.04 -1.76 -2.57 116.94 119.79 2fn5 h PHE 75 Ca -0.03 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.92 2fn5 h PHE 75 Cb 1.32 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.81 2fn5 h PHE 75 CO 0.05 0.54 0.21 0.00 -2.02 0.00 0.00 178.31 177.09 2fn5 h ALA 76 N 0.48 0.45 -0.45 2.41 0.00 -1.09 -1.24 119.26 119.81 2fn5 h ALA 76 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2fn5 h ALA 76 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2fn5 h ALA 76 CO 0.00 -0.13 0.30 0.00 0.00 0.00 0.00 179.25 179.42 2fn5 h ALA 77 N 1.15 1.74 -0.35 0.00 0.00 -0.73 -0.08 119.26 120.99 2fn5 h ALA 77 Ca 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2fn5 h ALA 77 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2fn5 h ALA 77 CO -0.06 0.23 0.02 1.15 0.00 0.00 0.00 179.25 180.58 2fn5 h THR 78 N 0.56 1.25 0.28 0.00 2.02 -0.89 -1.56 112.91 114.58 2fn5 h THR 78 Ca 0.17 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 2fn5 h THR 78 Cb 0.02 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2fn5 h THR 78 CO -0.04 0.31 -0.14 0.58 0.37 0.00 0.00 175.52 176.60 2fn5 h VAL 79 N 0.43 0.74 0.00 3.16 2.07 -0.09 -0.14 116.25 122.42 2fn5 h VAL 79 Ca 0.10 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2fn5 h VAL 79 Cb 0.43 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2fn5 h VAL 79 CO 0.01 0.04 0.00 0.18 0.02 0.00 0.00 177.57 177.82 2fn5 n LEU 80 N -5.21 0.00 -0.10 2.57 7.99 -0.17 -1.29 117.00 120.79 2fn5 n LEU 80 Ca -0.10 0.11 -0.13 0.00 -0.01 0.00 0.00 56.01 55.88 2fn5 n LEU 80 Cb 0.20 -0.11 -0.14 0.00 -0.11 0.00 0.00 43.42 43.26 2fn5 n LEU 80 CO 0.34 -0.07 -1.19 -1.14 -1.51 0.00 0.00 177.39 173.83 2fn5 n ARG 81 N -1.11 0.67 0.07 3.23 0.00 -0.59 -4.42 116.66 114.52 2fn5 n ARG 81 Ca 0.08 0.07 0.13 0.00 -0.00 0.00 0.00 57.85 58.13 2fn5 n ARG 81 Cb 0.06 -1.54 0.40 0.00 0.00 0.00 0.00 32.46 31.38 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 -2.98 0.63 -4.75 6.15 3.02 -0.13 -4.84 115.26 112.37 2fn5 n ASN 82 Ca -0.37 0.44 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 2fn5 n ASN 82 Cb 1.09 -0.52 0.04 0.00 -0.61 0.00 0.00 39.78 39.78 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 -3.09 2.06 0.00 3.41 -4.23 -0.94 -5.04 115.64 107.81 2fn5 s THR 83 Ca 0.10 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 2fn5 s THR 83 Cb 0.14 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2fn5 s THR 83 CO 0.61 -0.00 0.00 2.29 -0.54 0.00 0.00 174.62 176.98 2fn5 n LYS 84 N -1.10 3.34 0.00 3.99 -0.00 -1.26 -4.51 118.16 118.62 2fn5 n LYS 84 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2fn5 n LYS 84 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.48 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 5.00 -3.01 3.53 2.58 0.00 -1.26 -4.34 105.19 107.68 2fn5 n GLY 85 Ca 0.00 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.44 6.16 -0.11 1.61 -0.87 -1.24 0.29 114.94 118.33 2fn5 s ASN 86 Ca 0.00 -0.56 -0.02 0.00 -1.57 0.00 0.00 52.86 50.71 2fn5 s ASN 86 Cb 0.00 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.67 2fn5 s ASN 86 CO 0.00 -1.76 -0.03 -0.69 -2.57 0.00 0.00 177.10 172.05 2fn5 s VAL 87 N 5.40 4.01 -0.57 1.60 1.01 0.18 -4.88 120.40 127.14 2fn5 s VAL 87 Ca 0.32 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 2fn5 s VAL 87 Cb -0.10 -2.71 0.09 0.00 0.00 0.00 0.00 36.38 33.66 2fn5 s VAL 87 CO 0.14 0.55 0.71 -0.13 0.00 0.00 0.00 175.10 176.37 2fn5 s ARG 88 N -0.31 3.07 -0.53 2.72 0.52 -1.26 -0.22 118.95 122.95 2fn5 s ARG 88 Ca 0.05 -1.17 -0.19 0.00 -0.52 0.00 0.00 55.73 53.91 2fn5 s ARG 88 Cb -0.12 -4.22 0.07 0.00 0.52 0.00 0.00 34.95 31.20 2fn5 s ARG 88 CO 0.02 -1.48 0.63 -0.06 0.02 0.00 0.00 175.30 174.43 2fn5 s PHE 89 N 2.78 3.05 -0.84 -0.53 0.08 0.11 -1.85 117.98 120.78 2fn5 s PHE 89 Ca 0.13 -0.69 -0.20 0.00 0.12 0.00 0.00 56.93 56.30 2fn5 s PHE 89 Cb -0.22 -3.65 0.11 0.00 -0.57 0.00 0.00 43.02 38.69 2fn5 s PHE 89 CO 0.08 -1.09 1.08 0.08 -0.10 0.00 0.00 175.22 175.27 2fn5 s VAL 90 N 2.57 4.57 0.18 -0.44 1.01 0.15 0.35 120.40 128.79 2fn5 s VAL 90 Ca 0.13 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 61.01 2fn5 s VAL 90 Cb -0.21 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.38 2fn5 s VAL 90 CO 0.10 -1.50 0.10 -0.63 0.00 0.00 0.00 175.10 173.17 2fn5 s ILE 91 N 3.21 4.23 0.07 2.22 1.01 -0.56 -0.52 121.20 130.85 2fn5 s ILE 91 Ca 0.29 -1.24 0.05 0.00 0.00 0.00 0.00 60.65 59.76 2fn5 s ILE 91 Cb -0.09 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2fn5 s ILE 91 CO -0.03 -0.14 -0.15 -0.83 0.00 0.00 0.00 174.94 173.79 2fn5 s GLY 92 N -3.15 0.90 -0.19 6.18 0.00 -1.26 -0.06 107.32 109.75 2fn5 s GLY 92 Ca 0.30 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 44.02 2fn5 s GLY 92 CO 0.22 -1.03 -0.12 -1.60 0.00 0.00 0.00 173.10 170.57 2fn5 s ARG 93 N -1.68 2.18 0.00 2.90 6.06 0.56 -4.55 118.95 124.42 2fn5 s ARG 93 Ca -0.00 -0.79 0.26 0.00 -2.50 0.00 0.00 55.73 52.70 2fn5 s ARG 93 Cb -0.10 -2.37 0.66 0.00 0.06 0.00 0.00 34.95 33.21 2fn5 s ARG 93 CO 0.02 -0.37 1.52 -0.85 -2.50 0.00 0.00 175.30 173.13