#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 -2.40 -2.12 1.61 -0.00 -1.26 -4.49 115.22 106.55 2fn5 n HIS 2 Ca 0.00 0.81 -0.01 0.00 -0.00 0.00 0.00 57.72 58.52 2fn5 n HIS 2 Cb 0.00 -3.81 -0.01 0.00 -0.00 0.00 0.00 29.99 26.17 2fn5 n HIS 2 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2fn5 n MET 3 N -3.09 -2.11 -2.87 -0.41 0.00 -1.23 -4.96 117.12 102.46 2fn5 n MET 3 Ca -0.08 1.87 -0.42 0.00 0.00 0.00 0.00 57.70 59.07 2fn5 n MET 3 Cb 0.59 -3.29 -0.04 0.00 0.00 0.00 0.00 33.22 30.48 2fn5 n MET 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2fn5 s GLU 4 N -0.85 3.88 0.02 2.12 2.12 0.44 -4.77 118.70 121.66 2fn5 s GLU 4 Ca -0.06 0.57 -0.23 0.00 0.36 0.00 0.00 54.97 55.61 2fn5 s GLU 4 Cb 0.00 -3.77 -0.05 0.00 0.26 0.00 0.00 34.13 30.57 2fn5 s GLU 4 CO 0.42 -0.83 0.70 -0.51 -0.54 0.00 0.00 175.26 174.50 2fn5 s LEU 5 N 3.24 4.42 -0.01 2.70 2.01 -1.26 -1.36 118.68 128.42 2fn5 s LEU 5 Ca 0.35 1.32 -0.02 0.00 0.01 0.00 0.00 54.13 55.79 2fn5 s LEU 5 Cb -0.13 -3.10 -0.00 0.00 0.01 0.00 0.00 46.19 42.96 2fn5 s LEU 5 CO 0.16 0.04 0.04 0.72 1.01 0.00 0.00 176.35 178.32 2fn5 s PHE 6 N -0.03 0.05 -0.04 0.29 -0.12 0.13 -4.95 117.98 113.31 2fn5 s PHE 6 Ca 0.36 -0.09 -0.25 0.00 -0.05 0.00 0.00 56.93 56.89 2fn5 s PHE 6 Cb -0.19 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 2fn5 s PHE 6 CO 0.20 -0.11 0.78 -1.25 -0.05 0.00 0.00 175.22 174.79 2fn5 s PRO 7 N -0.61 4.48 -0.31 1.99 0.04 -1.26 -1.44 135.00 137.88 2fn5 s PRO 7 Ca -0.07 1.04 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 2fn5 s PRO 7 Cb -0.04 -3.45 0.06 0.00 0.04 0.00 0.00 34.50 31.11 2fn5 s PRO 7 CO -0.00 0.04 0.02 0.08 0.04 0.00 0.00 177.00 177.18 2fn5 s VAL 8 N 0.83 2.86 -0.51 -0.36 1.01 0.18 -4.94 120.40 119.47 2fn5 s VAL 8 Ca 0.42 -1.60 -0.23 0.00 0.00 0.00 0.00 61.98 60.57 2fn5 s VAL 8 Cb -0.19 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.50 2fn5 s VAL 8 CO 0.21 -0.22 0.84 -0.70 0.00 0.00 0.00 175.10 175.22 2fn5 s GLU 9 N 1.19 3.32 -0.12 2.72 2.12 -1.25 -0.05 118.70 126.61 2fn5 s GLU 9 Ca -0.02 -0.33 -0.07 0.00 0.36 0.00 0.00 54.97 54.91 2fn5 s GLU 9 Cb -0.20 -4.03 -0.04 0.00 0.26 0.00 0.00 34.13 30.12 2fn5 s GLU 9 CO -0.03 -1.32 0.13 -1.17 -0.54 0.00 0.00 175.26 172.33 2fn5 s LEU 10 N 3.51 4.32 -0.88 2.70 1.98 0.80 -4.90 118.68 126.21 2fn5 s LEU 10 Ca 0.27 0.43 -0.03 0.00 -2.89 0.00 0.00 54.13 51.92 2fn5 s LEU 10 Cb -0.14 -2.05 0.22 0.00 0.66 0.00 0.00 46.19 44.88 2fn5 s LEU 10 CO 0.19 0.39 0.76 -0.70 -1.89 0.00 0.00 176.35 175.11 2fn5 s GLU 11 N -0.92 3.27 0.89 1.98 2.12 -1.25 -0.67 118.70 124.12 2fn5 s GLU 11 Ca 0.14 -3.17 -0.13 0.00 0.36 0.00 0.00 54.97 52.17 2fn5 s GLU 11 Cb -0.12 -3.99 0.13 0.00 0.26 0.00 0.00 34.13 30.41 2fn5 s GLU 11 CO 0.03 -1.25 1.19 0.15 -0.54 0.00 0.00 175.26 174.84 2fn5 s LYS 12 N -1.16 1.32 0.91 4.30 -0.14 0.92 -4.81 119.74 121.08 2fn5 s LYS 12 Ca 0.26 0.07 -0.12 0.00 -1.36 0.00 0.00 55.97 54.82 2fn5 s LYS 12 Cb -0.09 -1.88 0.13 0.00 -1.68 0.00 0.00 37.83 34.31 2fn5 s LYS 12 CO -0.11 -2.03 1.11 -0.51 -0.76 0.00 0.00 175.35 173.05 2fn5 s ASP 13 N -4.42 3.50 0.54 2.83 1.01 -1.26 -4.40 116.67 114.47 2fn5 s ASP 13 Ca 0.65 1.17 0.32 0.00 0.71 0.00 0.00 52.55 55.40 2fn5 s ASP 13 Cb -0.11 -1.82 1.42 0.00 1.01 0.00 0.00 42.92 43.42 2fn5 s ASP 13 CO 0.51 -2.58 2.01 1.05 0.21 0.00 0.00 175.17 176.38 2fn5 h GLU 14 N -1.51 0.00 -0.18 8.23 4.11 -1.97 -1.95 114.58 121.30 2fn5 h GLU 14 Ca -0.51 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.88 2fn5 h GLU 14 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2fn5 h GLU 14 CO 0.59 0.06 -0.10 0.22 0.07 0.00 0.00 179.01 179.85 2fn5 h ASP 15 N 0.00 0.27 0.00 3.06 3.58 -1.96 -3.47 116.42 117.90 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 0.48 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2fn5 h ASP 15 CO 0.01 0.41 0.00 0.61 -2.88 0.00 0.00 179.24 177.38 2fn5 n GLY 16 N -0.89 -0.23 0.09 -0.78 0.00 -0.73 -4.77 105.19 97.88 2fn5 n GLY 16 Ca -0.00 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.67 2fn5 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fn5 h LEU 17 N 0.00 0.09 1.10 0.99 3.38 -1.83 -3.36 115.31 115.67 2fn5 h LEU 17 Ca 0.00 -0.83 -0.22 0.00 0.09 0.00 0.00 57.88 56.92 2fn5 h LEU 17 Cb 0.00 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.73 2fn5 h LEU 17 CO 0.00 1.25 -0.30 0.61 0.09 0.00 0.00 178.44 180.09 2fn5 n GLY 18 N 1.58 -0.04 3.14 0.83 0.00 -1.26 -4.31 105.19 105.12 2fn5 n GLY 18 Ca -0.19 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 2fn5 n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2fn5 n ILE 19 N -3.98 0.00 -4.02 -0.61 -5.35 -1.26 -3.34 119.36 100.81 2fn5 n ILE 19 Ca -0.11 -1.52 -0.11 0.00 -0.27 0.00 0.00 62.75 60.75 2fn5 n ILE 19 Cb 0.59 -0.66 -0.11 0.00 -1.74 0.00 0.00 39.64 37.71 2fn5 n ILE 19 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2fn5 s SER 20 N -3.95 0.51 0.30 7.28 0.01 0.22 -4.94 113.70 113.12 2fn5 s SER 20 Ca 0.50 -0.48 0.11 0.00 1.31 0.00 0.00 55.95 57.39 2fn5 s SER 20 Cb -0.04 0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 2fn5 s SER 20 CO 0.32 -0.23 -0.14 0.27 0.41 0.00 0.00 173.24 173.86 2fn5 s ILE 21 N -1.30 2.53 -0.07 1.44 -5.25 -1.26 0.06 121.20 117.35 2fn5 s ILE 21 Ca -0.12 -2.29 0.02 0.00 -0.99 0.00 0.00 60.65 57.27 2fn5 s ILE 21 Cb -0.09 -2.46 0.01 0.00 2.95 0.00 0.00 42.46 42.87 2fn5 s ILE 21 CO -0.00 -0.34 -0.11 -0.51 -1.79 0.00 0.00 174.94 172.18 2fn5 s ILE 22 N -2.51 1.11 -0.71 8.37 2.07 0.11 -4.48 121.20 125.16 2fn5 s ILE 22 Ca 0.31 -0.45 -0.19 0.00 -1.41 0.00 0.00 60.65 58.92 2fn5 s ILE 22 Cb -0.03 -1.03 0.12 0.00 0.13 0.00 0.00 42.46 41.65 2fn5 s ILE 22 CO 0.16 0.35 0.83 -0.83 -1.91 0.00 0.00 174.94 173.55 2fn5 s GLY 23 N 0.80 1.90 0.32 1.50 0.00 -1.26 -0.87 107.32 109.71 2fn5 s GLY 23 Ca -0.12 -2.47 0.07 0.00 0.00 0.00 0.00 44.72 42.20 2fn5 s GLY 23 CO 0.02 1.68 0.34 1.06 0.00 0.00 0.00 173.10 176.19 2fn5 s MET 24 N 2.46 2.88 -0.64 2.90 -1.94 0.49 -4.93 119.30 120.52 2fn5 s MET 24 Ca 0.18 -1.17 0.06 0.00 -1.71 0.00 0.00 55.69 53.04 2fn5 s MET 24 Cb -0.17 -2.60 0.22 0.00 2.01 0.00 0.00 34.83 34.29 2fn5 s MET 24 CO 0.01 0.12 0.63 0.41 -0.01 0.00 0.00 175.02 176.19 2fn5 n GLY 25 N -1.44 4.34 3.30 -0.03 0.00 -1.26 -2.94 105.19 107.16 2fn5 n GLY 25 Ca -0.02 -2.60 -0.45 0.00 0.00 0.00 0.00 46.02 42.95 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 -1.97 5.23 0.00 1.61 0.11 -1.26 -4.75 120.40 119.37 2fn5 s VAL 26 Ca 0.34 -2.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.32 2fn5 s VAL 26 Cb 0.08 -4.30 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 2fn5 s VAL 26 CO -0.08 -0.94 0.00 0.61 -3.33 0.00 0.00 175.10 171.36 2fn5 n GLY 27 N 4.51 -0.83 0.25 6.54 0.00 -1.26 -3.75 105.19 110.66 2fn5 n GLY 27 Ca 0.01 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 0.22 1.30 0.00 4.61 0.00 -1.91 0.22 119.26 123.70 2fn5 h ALA 28 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2fn5 h ALA 28 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2fn5 h ALA 28 CO 0.00 0.47 0.00 0.38 0.00 0.00 0.00 179.25 180.10 2fn5 h ASP 29 N 0.41 0.00 0.14 0.00 2.03 -1.91 -2.84 116.42 114.25 2fn5 h ASP 29 Ca 0.08 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 56.02 2fn5 h ASP 29 Cb 0.47 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.91 2fn5 h ASP 29 CO 0.03 0.00 -2.18 0.00 -1.03 0.00 0.00 179.24 176.06 2fn5 n ALA 30 N -2.05 1.39 0.00 4.15 0.00 -0.49 -5.00 120.51 118.51 2fn5 n ALA 30 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2fn5 n ALA 30 Cb 0.33 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2fn5 n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fn5 n GLY 31 N 1.86 2.40 0.13 0.00 0.00 0.64 -4.86 105.19 105.36 2fn5 n GLY 31 Ca -0.32 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 2fn5 n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fn5 h LEU 32 N 0.00 0.58 -2.24 0.99 4.07 -1.87 -3.47 115.31 113.36 2fn5 h LEU 32 Ca 0.00 -0.57 0.01 0.00 0.08 0.00 0.00 57.88 57.40 2fn5 h LEU 32 Cb 0.00 -0.18 -0.08 0.00 1.08 0.00 0.00 40.66 41.48 2fn5 h LEU 32 CO 0.00 1.42 -1.15 -0.62 -1.08 0.00 0.00 178.44 177.01 2fn5 n GLU 33 N -3.64 -3.44 -4.08 1.13 1.02 -0.88 -5.00 120.64 105.74 2fn5 n GLU 33 Ca -0.10 2.73 -0.17 0.00 -0.02 0.00 0.00 57.16 59.59 2fn5 n GLU 33 Cb 0.99 -4.32 -0.06 0.00 -0.02 0.00 0.00 31.44 28.03 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 1.14 0.50 -1.52 3.49 0.00 -1.25 -5.00 118.16 115.52 2fn5 n LYS 34 Ca -0.25 -3.06 -0.36 0.00 -0.00 0.00 0.00 58.31 54.64 2fn5 n LYS 34 Cb 0.38 2.65 0.08 0.00 -0.00 0.00 0.00 35.03 38.14 2fn5 n LYS 34 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2fn5 n LEU 35 N 0.00 4.56 -0.60 -5.58 -0.00 -1.26 -4.32 117.00 109.80 2fn5 n LEU 35 Ca 0.05 0.75 0.09 0.00 -0.00 0.00 0.00 56.01 56.90 2fn5 n LEU 35 Cb 0.58 -1.47 0.22 0.00 -0.00 0.00 0.00 43.42 42.75 2fn5 n LEU 35 CO 0.30 -1.60 0.66 0.61 -0.00 0.00 0.00 177.39 177.35 2fn5 n GLY 36 N 1.03 4.35 3.64 1.47 0.00 -1.15 -4.66 105.19 109.86 2fn5 n GLY 36 Ca 0.14 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.85 4.34 0.35 -0.61 -1.09 -1.25 -0.38 121.20 119.71 2fn5 s ILE 37 Ca 0.39 1.55 0.08 0.00 -2.23 0.00 0.00 60.65 60.44 2fn5 s ILE 37 Cb 0.32 -4.25 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 2fn5 s ILE 37 CO 0.07 -0.42 0.07 -0.36 -1.23 0.00 0.00 174.94 173.07 2fn5 s PHE 38 N 3.89 2.59 0.08 3.97 0.08 -0.05 -3.84 117.98 124.70 2fn5 s PHE 38 Ca 0.51 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 2fn5 s PHE 38 Cb -0.15 -1.60 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 2fn5 s PHE 38 CO 0.18 0.40 1.04 0.08 -0.10 0.00 0.00 175.22 176.82 2fn5 s VAL 39 N -2.52 4.41 -0.22 -0.44 1.01 -0.66 0.08 120.40 122.06 2fn5 s VAL 39 Ca 0.36 1.86 -0.08 0.00 0.00 0.00 0.00 61.98 64.12 2fn5 s VAL 39 Cb 0.00 -4.19 -0.18 0.00 0.00 0.00 0.00 36.38 32.01 2fn5 s VAL 39 CO 0.20 0.22 -0.04 1.17 0.00 0.00 0.00 175.10 176.65 2fn5 n LYS 40 N 3.31 0.65 -3.57 2.72 3.00 0.11 -4.62 118.16 119.76 2fn5 n LYS 40 Ca 0.05 0.27 -0.11 0.00 -0.00 0.00 0.00 58.31 58.52 2fn5 n LYS 40 Cb 0.49 -1.60 -0.04 0.00 0.00 0.00 0.00 35.03 33.88 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 -2.50 0.05 0.07 3.15 2.01 -0.96 -4.96 115.64 112.50 2fn5 s THR 41 Ca -0.32 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 61.34 2fn5 s THR 41 Cb 0.09 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 2fn5 s THR 41 CO 0.62 -0.21 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.48 2fn5 s VAL 42 N -3.79 1.26 0.33 3.82 1.01 -1.26 -0.61 120.40 121.16 2fn5 s VAL 42 Ca 0.02 -1.28 -0.28 0.00 0.00 0.00 0.00 61.98 60.44 2fn5 s VAL 42 Cb 0.01 -1.17 -0.13 0.00 0.00 0.00 0.00 36.38 35.09 2fn5 s VAL 42 CO -0.12 -0.12 1.23 1.07 0.00 0.00 0.00 175.10 177.16 2fn5 n THR 43 N 1.40 2.01 0.00 3.92 5.66 -1.21 -4.88 114.28 121.18 2fn5 n THR 43 Ca -0.20 -0.50 -0.06 0.00 -3.05 0.00 0.00 64.05 60.24 2fn5 n THR 43 Cb 0.54 -1.44 0.13 0.00 -1.55 0.00 0.00 70.33 68.01 2fn5 n THR 43 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2fn5 h GLU 44 N 2.41 0.53 -1.36 1.09 4.11 -1.94 -3.39 114.58 116.04 2fn5 h GLU 44 Ca -0.45 -0.25 -0.33 0.00 0.07 0.00 0.00 59.36 58.41 2fn5 h GLU 44 Cb 1.30 -0.01 -0.24 0.00 0.50 0.00 0.00 28.75 30.30 2fn5 h GLU 44 CO 0.62 0.82 -0.69 0.41 0.07 0.00 0.00 179.01 180.24 2fn5 n GLY 45 N -0.12 0.60 3.29 1.06 0.00 -1.26 -4.85 105.19 103.91 2fn5 n GLY 45 Ca -0.01 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 0.11 1.94 0.00 -0.02 0.00 -1.26 -5.01 107.32 103.08 2fn5 s GLY 46 Ca 0.32 -1.81 0.03 0.00 0.00 0.00 0.00 44.72 43.25 2fn5 s GLY 46 CO -0.13 -1.52 0.70 0.00 0.00 0.00 0.00 173.10 172.16 2fn5 n ALA 47 N -0.51 1.54 -0.01 3.20 0.00 -1.26 -2.63 120.51 120.86 2fn5 n ALA 47 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 2fn5 n ALA 47 Cb 0.65 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.01 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 2.16 -0.11 0.00 0.00 0.00 -1.90 -1.27 119.26 118.15 2fn5 h ALA 48 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2fn5 h ALA 48 Cb 0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2fn5 h ALA 48 CO 0.00 -0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.18 2fn5 n GLN 49 N -4.82 0.13 -0.03 0.00 6.02 -1.08 -1.93 117.38 115.68 2fn5 n GLN 49 Ca -0.04 0.23 -0.17 0.00 -0.01 0.00 0.00 57.00 57.01 2fn5 n GLN 49 Cb 0.16 -1.69 -0.07 0.00 1.02 0.00 0.00 30.24 29.65 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 0.00 0.73 0.69 -1.09 2.47 -1.54 -3.31 114.38 112.33 2fn5 h ARG 50 Ca 0.00 -0.59 -0.03 0.00 -1.26 0.00 0.00 59.98 58.10 2fn5 h ARG 50 Cb 0.48 0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.93 2fn5 h ARG 50 CO 0.00 1.20 -0.33 0.22 0.56 0.00 0.00 179.97 181.62 2fn5 h ASP 51 N 0.43 -0.79 0.00 7.04 3.58 -0.79 -3.47 116.42 122.43 2fn5 h ASP 51 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2fn5 h ASP 51 Cb 1.33 0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.59 2fn5 h ASP 51 CO 0.15 -0.49 0.00 0.61 -2.88 0.00 0.00 179.24 176.62 2fn5 n GLY 52 N -1.16 1.83 0.09 -0.78 0.00 -0.81 -4.83 105.19 99.54 2fn5 n GLY 52 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 2.75 0.06 -6.61 1.61 1.12 -1.91 -3.43 114.38 107.97 2fn5 h ARG 53 Ca 0.00 -0.09 -0.51 0.00 -1.11 0.00 0.00 59.98 58.27 2fn5 h ARG 53 Cb 0.00 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 2fn5 h ARG 53 CO 0.00 0.97 -0.02 -1.50 -3.11 0.00 0.00 179.97 176.30 2fn5 s ILE 54 N -2.90 4.88 0.31 1.20 2.07 -1.26 -5.09 121.20 120.40 2fn5 s ILE 54 Ca -0.00 0.48 0.04 0.00 -1.41 0.00 0.00 60.65 59.75 2fn5 s ILE 54 Cb 0.10 -3.68 -0.01 0.00 0.13 0.00 0.00 42.46 39.00 2fn5 s ILE 54 CO 0.82 -0.28 0.14 0.00 -1.91 0.00 0.00 174.94 173.71 2fn5 n GLN 55 N -0.72 0.57 0.00 3.50 6.02 -1.26 -4.89 117.38 120.59 2fn5 n GLN 55 Ca 0.01 -2.71 0.11 0.00 -0.01 0.00 0.00 57.00 54.41 2fn5 n GLN 55 Cb 0.53 1.66 0.07 0.00 1.02 0.00 0.00 30.24 33.52 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 -0.67 0.00 -0.74 5.09 3.14 -1.26 -4.23 118.33 119.65 2fn5 n VAL 56 Ca -0.02 -0.22 0.07 0.00 -2.96 0.00 0.00 64.34 61.21 2fn5 n VAL 56 Cb 0.48 1.06 0.14 0.00 -1.06 0.00 0.00 33.84 34.46 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 -0.21 2.66 -1.67 6.55 4.05 -1.26 -4.31 115.26 121.06 2fn5 n ASN 57 Ca 0.10 -2.74 0.00 0.00 0.45 0.00 0.00 54.58 52.38 2fn5 n ASN 57 Cb 0.44 -0.35 0.00 0.00 1.23 0.00 0.00 39.78 41.10 2fn5 n ASN 57 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 2fn5 n ASP 58 N -0.86 0.07 -3.85 1.20 5.68 -1.26 -4.90 116.55 112.62 2fn5 n ASP 58 Ca 0.13 -0.84 -0.26 0.00 -0.50 0.00 0.00 54.79 53.32 2fn5 n ASP 58 Cb 0.59 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.40 2fn5 n ASP 58 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2fn5 s GLN 59 N -1.20 1.18 -0.42 0.11 0.74 -1.26 -1.65 119.66 117.17 2fn5 s GLN 59 Ca 0.00 -0.26 -0.28 0.00 0.05 0.00 0.00 55.36 54.87 2fn5 s GLN 59 Cb 0.00 -1.61 -0.02 0.00 1.10 0.00 0.00 33.01 32.48 2fn5 s GLN 59 CO 0.00 -0.36 1.80 0.42 -0.55 0.00 0.00 175.29 176.60 2fn5 s ILE 60 N 1.77 3.46 -0.19 -2.34 -1.09 -1.25 -3.78 121.20 117.78 2fn5 s ILE 60 Ca 0.03 0.43 -0.22 0.00 -2.23 0.00 0.00 60.65 58.66 2fn5 s ILE 60 Cb -0.14 -3.75 -0.19 0.00 -1.58 0.00 0.00 42.46 36.80 2fn5 s ILE 60 CO -0.07 -0.57 0.29 0.58 -1.23 0.00 0.00 174.94 173.94 2fn5 h VAL 61 N 6.83 1.01 -3.14 2.92 2.07 -1.88 -3.46 116.25 120.59 2fn5 h VAL 61 Ca -0.31 -2.11 -0.20 0.00 0.82 0.00 0.00 66.70 64.91 2fn5 h VAL 61 Cb 1.16 2.25 -0.29 0.00 -1.52 0.00 0.00 31.29 32.90 2fn5 h VAL 61 CO 1.09 0.34 -0.51 -0.70 0.02 0.00 0.00 177.57 177.81 2fn5 s GLU 62 N -2.31 0.19 -0.08 1.57 2.12 -0.43 -2.13 118.70 117.64 2fn5 s GLU 62 Ca -0.25 0.42 0.03 0.00 0.36 0.00 0.00 54.97 55.52 2fn5 s GLU 62 Cb 0.04 -0.06 0.01 0.00 0.26 0.00 0.00 34.13 34.38 2fn5 s GLU 62 CO 0.57 -0.12 -0.15 0.08 -0.54 0.00 0.00 175.26 175.10 2fn5 s VAL 63 N 0.86 1.39 -1.22 3.70 1.01 -1.26 0.39 120.40 125.26 2fn5 s VAL 63 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2fn5 s VAL 63 Cb -0.08 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2fn5 s VAL 63 CO -0.05 0.41 0.00 -0.67 0.00 0.00 0.00 175.10 174.79 2fn5 n ASP 64 N 3.78 -5.11 -0.81 3.32 2.03 -0.26 -0.66 116.55 118.83 2fn5 n ASP 64 Ca -0.22 0.29 -0.08 0.00 0.52 0.00 0.00 54.79 55.30 2fn5 n ASP 64 Cb 0.52 -3.63 -0.02 0.00 -0.72 0.00 0.00 41.12 37.28 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 -0.60 0.42 0.08 0.27 0.00 -1.26 -4.90 105.19 99.20 2fn5 n GLY 65 Ca -0.12 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.93 -0.61 2.10 -1.26 -3.49 117.51 108.32 2fn5 h ILE 66 Ca -0.18 -0.51 -0.14 0.00 1.08 0.00 0.00 64.86 65.11 2fn5 h ILE 66 Cb 0.90 1.26 0.01 0.00 -1.09 0.00 0.00 36.82 37.89 2fn5 h ILE 66 CO 0.24 0.00 -0.94 -1.54 -1.08 0.00 0.00 178.15 174.83 2fn5 n SER 67 N -2.21 -6.84 -1.45 2.19 3.41 -1.26 -4.90 113.62 102.56 2fn5 n SER 67 Ca 0.04 0.43 0.09 0.00 -0.26 0.00 0.00 58.87 59.17 2fn5 n SER 67 Cb 0.44 -3.30 0.32 0.00 -0.26 0.00 0.00 64.21 61.41 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 0.25 4.26 -4.55 1.04 -0.00 -1.21 -4.88 117.00 111.92 2fn5 n LEU 68 Ca 0.00 -2.15 -0.22 0.00 -0.00 0.00 0.00 56.01 53.64 2fn5 n LEU 68 Cb 0.47 -0.54 -0.08 0.00 -0.00 0.00 0.00 43.42 43.27 2fn5 n LEU 68 CO 0.40 0.77 1.62 0.52 -0.00 0.00 0.00 177.39 180.70 2fn5 n VAL 69 N 1.10 -0.02 0.00 1.47 0.31 -0.90 -1.15 118.33 119.13 2fn5 n VAL 69 Ca 0.23 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2fn5 n VAL 69 Cb 0.78 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 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 6.41 1.24 3.97 2.92 0.00 -1.26 -4.89 105.19 113.58 2fn5 n GLY 70 Ca 0.48 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.25 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 2.16 0.70 1.61 -7.23 -0.30 -4.90 120.40 110.43 2fn5 s VAL 71 Ca 0.00 -0.41 -0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2fn5 s VAL 71 Cb 0.00 -2.75 0.11 0.00 0.56 0.00 0.00 36.38 34.30 2fn5 s VAL 71 CO 0.00 0.00 0.96 0.42 -0.31 0.00 0.00 175.10 176.17 2fn5 s THR 72 N -3.31 2.20 0.32 5.32 -4.23 -1.26 -4.77 115.64 109.91 2fn5 s THR 72 Ca 0.67 -0.61 0.28 0.00 -1.18 0.00 0.00 61.69 60.85 2fn5 s THR 72 Cb -0.06 -2.59 0.29 0.00 1.34 0.00 0.00 72.50 71.48 2fn5 s THR 72 CO 0.46 0.00 2.01 0.06 -0.54 0.00 0.00 174.62 176.61 2fn5 h GLN 73 N -0.44 0.00 0.08 3.99 -0.00 -1.93 -1.20 115.11 115.60 2fn5 h GLN 73 Ca -0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.28 2fn5 h GLN 73 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 2fn5 h GLN 73 CO 0.42 0.14 -0.04 -0.91 -0.00 0.00 0.00 178.83 178.44 2fn5 h ASN 74 N 0.00 -0.09 0.03 0.06 2.35 -1.98 -0.24 115.58 115.71 2fn5 h ASN 74 Ca -0.00 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2fn5 h ASN 74 Cb 0.45 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2fn5 h ASN 74 CO 0.02 0.11 -0.02 0.15 -1.65 0.00 0.00 177.43 176.04 2fn5 h PHE 75 N -0.28 -0.04 -0.54 1.19 3.04 -1.85 -2.88 116.94 115.58 2fn5 h PHE 75 Ca -0.01 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2fn5 h PHE 75 Cb 0.24 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 2fn5 h PHE 75 CO -0.01 0.38 0.34 0.00 -2.02 0.00 0.00 178.31 176.99 2fn5 h ALA 76 N 0.47 0.69 0.00 2.41 0.00 -1.22 -0.67 119.26 120.94 2fn5 h ALA 76 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2fn5 h ALA 76 Cb 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2fn5 h ALA 76 CO 0.01 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.41 2fn5 h ALA 77 N 1.18 1.00 0.15 0.00 0.00 -1.07 -0.72 119.26 119.81 2fn5 h ALA 77 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.81 2fn5 h ALA 77 Cb -0.05 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2fn5 h ALA 77 CO -0.04 0.00 -1.50 1.15 0.00 0.00 0.00 179.25 178.86 2fn5 h THR 78 N 0.00 1.04 0.27 0.00 2.02 -0.99 -3.24 112.91 112.02 2fn5 h THR 78 Ca 0.00 -2.47 -0.01 0.00 0.77 0.00 0.00 66.41 64.70 2fn5 h THR 78 Cb 0.26 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 2fn5 h THR 78 CO 0.00 0.77 -0.13 0.58 0.37 0.00 0.00 175.52 177.11 2fn5 h VAL 79 N -0.13 0.76 0.00 3.16 2.07 0.03 -0.04 116.25 122.11 2fn5 h VAL 79 Ca -0.30 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2fn5 h VAL 79 Cb 1.90 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2fn5 h VAL 79 CO 0.12 0.06 0.00 0.18 0.02 0.00 0.00 177.57 177.95 2fn5 n LEU 80 N -5.19 0.00 -0.11 2.57 7.99 -0.39 -1.33 117.00 120.54 2fn5 n LEU 80 Ca -0.10 0.10 -0.22 0.00 -0.01 0.00 0.00 56.01 55.78 2fn5 n LEU 80 Cb 0.21 -0.10 -0.12 0.00 -0.11 0.00 0.00 43.42 43.31 2fn5 n LEU 80 CO 0.34 -0.05 -1.21 -1.14 -1.51 0.00 0.00 177.39 173.82 2fn5 n ARG 81 N -1.10 0.65 -0.06 3.23 0.63 -0.98 -4.48 116.66 114.55 2fn5 n ARG 81 Ca 0.09 0.24 0.04 0.00 -0.92 0.00 0.00 57.85 57.30 2fn5 n ARG 81 Cb 0.07 -1.57 0.16 0.00 0.45 0.00 0.00 32.46 31.57 2fn5 n ARG 81 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2fn5 n ASN 82 N -3.65 0.73 -3.77 6.15 3.02 -0.06 -4.85 115.26 112.83 2fn5 n ASN 82 Ca -0.44 -1.89 -0.30 0.00 -0.03 0.00 0.00 54.58 51.92 2fn5 n ASN 82 Cb 0.95 -0.08 0.26 0.00 -0.61 0.00 0.00 39.78 40.29 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 -1.84 1.50 0.00 3.41 -4.23 -0.87 -5.04 115.64 108.57 2fn5 s THR 83 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2fn5 s THR 83 Cb 0.07 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.63 2fn5 s THR 83 CO 0.11 0.00 0.00 2.29 -0.54 0.00 0.00 174.62 176.48 2fn5 n LYS 84 N -5.11 0.15 0.02 3.99 2.85 -1.26 -4.84 118.16 113.96 2fn5 n LYS 84 Ca 0.11 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.36 2fn5 n LYS 84 Cb 0.59 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.97 2fn5 n LYS 84 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2fn5 h GLY 85 N 0.00 -0.07 -7.16 2.58 0.00 -1.77 -3.41 103.07 93.24 2fn5 h GLY 85 Ca 0.00 0.03 -0.62 0.00 0.00 0.00 0.00 47.33 46.74 2fn5 h GLY 85 CO 0.00 -0.03 0.53 -1.31 0.00 0.00 0.00 176.54 175.73 2fn5 s ASN 86 N -2.87 6.28 -0.09 0.19 0.01 -1.25 -0.06 114.94 117.15 2fn5 s ASN 86 Ca -0.01 -0.57 0.03 0.00 -0.71 0.00 0.00 52.86 51.60 2fn5 s ASN 86 Cb 0.00 -2.42 -0.01 0.00 0.41 0.00 0.00 41.25 39.23 2fn5 s ASN 86 CO 0.03 -1.27 -0.18 -0.69 -1.51 0.00 0.00 177.10 173.48 2fn5 s VAL 87 N 3.91 2.61 -0.53 1.60 1.01 0.15 -4.92 120.40 124.23 2fn5 s VAL 87 Ca 0.27 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 2fn5 s VAL 87 Cb -0.14 -2.03 0.10 0.00 0.00 0.00 0.00 36.38 34.31 2fn5 s VAL 87 CO 0.16 0.56 0.55 -0.13 0.00 0.00 0.00 175.10 176.23 2fn5 s ARG 88 N 0.02 3.02 -0.48 2.72 0.52 -1.26 -0.14 118.95 123.35 2fn5 s ARG 88 Ca -0.07 -1.41 -0.20 0.00 -0.52 0.00 0.00 55.73 53.53 2fn5 s ARG 88 Cb -0.15 -4.22 0.04 0.00 0.52 0.00 0.00 34.95 31.14 2fn5 s ARG 88 CO 0.05 -1.30 0.65 -0.06 0.02 0.00 0.00 175.30 174.66 2fn5 s PHE 89 N 2.04 3.03 -0.98 -0.53 0.40 0.92 -1.10 117.98 121.77 2fn5 s PHE 89 Ca 0.07 -0.31 -0.14 0.00 -0.60 0.00 0.00 56.93 55.95 2fn5 s PHE 89 Cb -0.26 -3.49 0.21 0.00 0.51 0.00 0.00 43.02 39.99 2fn5 s PHE 89 CO 0.06 -0.99 1.03 0.08 0.70 0.00 0.00 175.22 176.10 2fn5 s VAL 90 N 2.80 5.42 0.29 -0.44 1.01 0.16 0.52 120.40 130.16 2fn5 s VAL 90 Ca 0.19 -2.52 0.01 0.00 0.00 0.00 0.00 61.98 59.66 2fn5 s VAL 90 Cb -0.17 -4.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.54 2fn5 s VAL 90 CO 0.15 -1.26 0.47 -0.63 0.00 0.00 0.00 175.10 173.83 2fn5 s ILE 91 N 0.61 5.16 0.04 2.22 1.01 -0.52 -1.31 121.20 128.41 2fn5 s ILE 91 Ca 0.28 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.40 2fn5 s ILE 91 Cb -0.08 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2fn5 s ILE 91 CO -0.08 -0.42 -0.07 -0.83 0.00 0.00 0.00 174.94 173.54 2fn5 s GLY 92 N -3.82 0.46 -0.08 6.18 0.00 -1.25 0.22 107.32 109.02 2fn5 s GLY 92 Ca 0.38 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.42 2fn5 s GLY 92 CO 0.33 -0.75 -0.16 -1.60 0.00 0.00 0.00 173.10 170.92 2fn5 s ARG 93 N -1.47 2.86 0.00 2.90 3.52 -0.47 -4.49 118.95 121.80 2fn5 s ARG 93 Ca -0.10 -0.73 0.31 0.00 -0.13 0.00 0.00 55.73 55.08 2fn5 s ARG 93 Cb -0.09 -2.44 1.85 0.00 -1.56 0.00 0.00 34.95 32.71 2fn5 s ARG 93 CO 0.00 0.42 2.18 -0.85 -0.81 0.00 0.00 175.30 176.24