#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 3.40 -0.21 1.61 0.09 -1.26 -4.82 115.29 114.10 2fn5 s HIS 2 Ca 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 55.06 55.41 2fn5 s HIS 2 Cb 0.00 -1.92 0.03 0.00 -0.00 0.00 0.00 32.58 30.69 2fn5 s HIS 2 CO 0.00 0.55 -0.15 1.41 -0.00 0.00 0.00 174.74 176.55 2fn5 s MET 3 N -0.72 2.88 -0.46 1.40 0.00 -1.26 -4.25 119.30 116.89 2fn5 s MET 3 Ca 0.12 -0.92 -0.21 0.00 0.00 0.00 0.00 55.69 54.68 2fn5 s MET 3 Cb -0.12 -2.73 0.03 0.00 0.00 0.00 0.00 34.83 32.01 2fn5 s MET 3 CO 0.03 -0.30 0.69 -2.00 0.00 0.00 0.00 175.02 173.43 2fn5 s GLU 4 N 1.28 3.28 -0.18 4.11 2.12 -0.31 -4.85 118.70 124.15 2fn5 s GLU 4 Ca 0.02 -0.39 -0.24 0.00 0.36 0.00 0.00 54.97 54.72 2fn5 s GLU 4 Cb -0.15 -3.97 -0.02 0.00 0.26 0.00 0.00 34.13 30.25 2fn5 s GLU 4 CO -0.09 -1.09 0.77 -0.51 -0.54 0.00 0.00 175.26 173.80 2fn5 s LEU 5 N 2.95 4.16 0.02 2.70 2.01 -1.26 -1.02 118.68 128.24 2fn5 s LEU 5 Ca 0.23 1.07 0.03 0.00 0.01 0.00 0.00 54.13 55.47 2fn5 s LEU 5 Cb -0.14 -3.13 -0.01 0.00 0.01 0.00 0.00 46.19 42.92 2fn5 s LEU 5 CO 0.19 -0.36 -0.09 0.72 1.01 0.00 0.00 176.35 177.81 2fn5 s PHE 6 N 2.09 0.82 -0.09 0.29 -0.12 0.52 -4.95 117.98 116.54 2fn5 s PHE 6 Ca 0.35 -0.27 -0.29 0.00 -0.05 0.00 0.00 56.93 56.67 2fn5 s PHE 6 Cb -0.16 -0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 41.71 2fn5 s PHE 6 CO 0.12 -0.01 0.99 -1.25 -0.05 0.00 0.00 175.22 175.01 2fn5 s PRO 7 N -0.74 4.43 -0.50 1.99 0.04 -1.26 -1.70 135.00 137.27 2fn5 s PRO 7 Ca -0.00 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 2fn5 s PRO 7 Cb -0.06 -3.53 0.13 0.00 0.04 0.00 0.00 34.50 31.08 2fn5 s PRO 7 CO 0.00 -0.27 0.37 0.08 0.04 0.00 0.00 177.00 177.22 2fn5 s VAL 8 N 1.85 4.23 -0.58 -0.36 1.01 0.13 -4.90 120.40 121.77 2fn5 s VAL 8 Ca 0.48 -1.91 -0.22 0.00 0.00 0.00 0.00 61.98 60.33 2fn5 s VAL 8 Cb -0.19 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.48 2fn5 s VAL 8 CO 0.19 -0.80 0.88 -0.70 0.00 0.00 0.00 175.10 174.68 2fn5 s GLU 9 N 1.20 3.20 -0.13 2.72 2.12 -1.25 -0.01 118.70 126.56 2fn5 s GLU 9 Ca 0.07 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 2fn5 s GLU 9 Cb -0.25 -4.13 -0.04 0.00 0.26 0.00 0.00 34.13 29.96 2fn5 s GLU 9 CO -0.01 -1.56 0.16 -1.17 -0.54 0.00 0.00 175.26 172.14 2fn5 s LEU 10 N 3.70 4.36 -0.49 2.70 1.98 0.16 -4.86 118.68 126.23 2fn5 s LEU 10 Ca 0.24 0.46 -0.15 0.00 -2.89 0.00 0.00 54.13 51.79 2fn5 s LEU 10 Cb -0.16 -2.12 0.09 0.00 0.66 0.00 0.00 46.19 44.66 2fn5 s LEU 10 CO 0.14 0.35 0.41 -0.70 -1.89 0.00 0.00 176.35 174.66 2fn5 s GLU 11 N -0.71 2.97 0.52 1.98 2.12 -1.25 -0.55 118.70 123.77 2fn5 s GLU 11 Ca 0.14 -1.44 0.07 0.00 0.36 0.00 0.00 54.97 54.10 2fn5 s GLU 11 Cb -0.12 -4.16 0.05 0.00 0.26 0.00 0.00 34.13 30.16 2fn5 s GLU 11 CO 0.04 -1.10 0.71 0.15 -0.54 0.00 0.00 175.26 174.52 2fn5 s LYS 12 N 1.62 2.51 1.07 4.30 -0.14 0.21 -4.86 119.74 124.45 2fn5 s LYS 12 Ca 0.04 -1.30 -0.12 0.00 -1.36 0.00 0.00 55.97 53.22 2fn5 s LYS 12 Cb -0.26 -2.65 0.23 0.00 -1.68 0.00 0.00 37.83 33.48 2fn5 s LYS 12 CO 0.06 -0.64 1.06 -0.51 -0.76 0.00 0.00 175.35 174.56 2fn5 s ASP 13 N -4.50 1.78 0.53 2.83 1.11 -1.25 -4.48 116.67 112.69 2fn5 s ASP 13 Ca 0.59 1.59 0.28 0.00 0.18 0.00 0.00 52.55 55.19 2fn5 s ASP 13 Cb -0.08 -2.28 1.51 0.00 1.07 0.00 0.00 42.92 43.14 2fn5 s ASP 13 CO 0.37 -3.72 2.09 1.05 1.18 0.00 0.00 175.17 176.14 2fn5 h GLU 14 N -2.29 0.00 -0.44 8.23 4.11 -1.99 -2.07 114.58 120.13 2fn5 h GLU 14 Ca -0.56 0.00 0.02 0.00 0.07 0.00 0.00 59.36 58.89 2fn5 h GLU 14 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 2fn5 h GLU 14 CO 0.50 0.10 0.26 0.22 0.07 0.00 0.00 179.01 180.16 2fn5 h ASP 15 N 0.00 0.41 0.00 3.06 3.58 -1.96 -3.47 116.42 118.05 2fn5 h ASP 15 Ca -0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2fn5 h ASP 15 Cb 0.30 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2fn5 h ASP 15 CO 0.01 0.30 0.00 0.61 -2.88 0.00 0.00 179.24 177.28 2fn5 n GLY 16 N -1.22 0.45 0.39 -0.78 0.00 -0.78 -4.79 105.19 98.46 2fn5 n GLY 16 Ca 0.02 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 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 1.42 -1.09 0.99 4.77 -1.26 -3.86 117.00 117.97 2fn5 n LEU 17 Ca 0.00 0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 2fn5 n LEU 17 Cb 0.00 -0.59 -0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2fn5 n LEU 17 CO 0.00 0.34 -0.11 0.61 -1.33 0.00 0.00 177.39 176.90 2fn5 n GLY 18 N 1.78 0.01 3.88 -0.72 0.00 -1.26 -4.52 105.19 104.36 2fn5 n GLY 18 Ca -0.37 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.49 2.43 0.11 -0.61 -4.36 -1.26 -2.86 121.20 112.16 2fn5 s ILE 19 Ca 0.01 -1.37 0.08 0.00 -0.26 0.00 0.00 60.65 59.12 2fn5 s ILE 19 Cb -0.01 -2.80 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 2fn5 s ILE 19 CO 0.02 0.00 -0.21 -0.44 0.24 0.00 0.00 174.94 174.54 2fn5 s SER 20 N -4.18 2.61 0.23 4.36 0.01 0.17 -4.94 113.70 111.97 2fn5 s SER 20 Ca 0.46 -0.71 0.09 0.00 1.31 0.00 0.00 55.95 57.10 2fn5 s SER 20 Cb -0.03 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 2fn5 s SER 20 CO 0.27 0.06 -0.14 0.27 0.41 0.00 0.00 173.24 174.10 2fn5 s ILE 21 N -1.24 1.90 -0.06 1.44 -5.25 -1.26 -0.03 121.20 116.69 2fn5 s ILE 21 Ca 0.08 -2.24 0.00 0.00 -0.99 0.00 0.00 60.65 57.50 2fn5 s ILE 21 Cb -0.10 -2.16 0.02 0.00 2.95 0.00 0.00 42.46 43.18 2fn5 s ILE 21 CO 0.05 -0.51 -0.04 -0.51 -1.79 0.00 0.00 174.94 172.13 2fn5 s ILE 22 N -2.87 0.61 -0.75 8.37 2.07 0.75 -4.51 121.20 124.88 2fn5 s ILE 22 Ca 0.25 -0.11 -0.21 0.00 -1.41 0.00 0.00 60.65 59.17 2fn5 s ILE 22 Cb -0.01 -0.66 0.09 0.00 0.13 0.00 0.00 42.46 42.02 2fn5 s ILE 22 CO 0.09 0.26 0.99 -0.83 -1.91 0.00 0.00 174.94 173.55 2fn5 s GLY 23 N 1.25 1.60 -0.79 1.50 0.00 -1.26 -0.87 107.32 108.75 2fn5 s GLY 23 Ca -0.06 -2.20 0.02 0.00 0.00 0.00 0.00 44.72 42.48 2fn5 s GLY 23 CO -0.02 2.00 0.74 1.03 0.00 0.00 0.00 173.10 176.85 2fn5 n MET 24 N 7.17 2.51 -1.42 2.90 2.81 0.14 -4.92 117.12 126.31 2fn5 n MET 24 Ca 0.05 -4.54 -0.50 0.00 -1.81 0.00 0.00 57.70 50.89 2fn5 n MET 24 Cb 0.46 -2.34 -0.08 0.00 -0.71 0.00 0.00 33.22 30.55 2fn5 n MET 24 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2fn5 n GLY 25 N 1.74 0.30 3.50 3.03 0.00 -1.26 -4.11 105.19 108.39 2fn5 n GLY 25 Ca 0.24 0.96 -0.33 0.00 0.00 0.00 0.00 46.02 46.89 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 7.54 3.16 0.00 1.61 0.11 -1.26 -4.91 120.40 126.65 2fn5 s VAL 26 Ca 1.12 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 2fn5 s VAL 26 Cb -0.95 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 2fn5 s VAL 26 CO 0.50 0.57 0.00 0.61 -3.33 0.00 0.00 175.10 173.45 2fn5 n GLY 27 N 2.21 0.05 1.12 6.54 0.00 -1.26 -4.48 105.19 109.36 2fn5 n GLY 27 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.95 2fn5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 n ALA 28 N -3.00 2.36 0.09 4.61 0.00 -1.26 -3.57 120.51 119.73 2fn5 n ALA 28 Ca 0.00 -1.14 0.08 0.00 0.00 0.00 0.00 53.44 52.37 2fn5 n ALA 28 Cb 0.00 -0.79 0.53 0.00 0.00 0.00 0.00 19.45 19.20 2fn5 n ALA 28 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2fn5 h ASP 29 N 3.84 0.25 -0.14 0.00 5.19 -2.00 -0.29 116.42 123.27 2fn5 h ASP 29 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2fn5 h ASP 29 Cb 0.92 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.37 2fn5 h ASP 29 CO 0.00 0.17 0.00 0.00 -3.12 0.00 0.00 179.24 176.29 2fn5 n ALA 30 N -2.52 2.43 0.00 3.45 0.00 -1.26 -4.97 120.51 117.64 2fn5 n ALA 30 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2fn5 n ALA 30 Cb 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 1.10 3.12 0.12 0.00 0.00 -0.12 -4.82 105.19 104.60 2fn5 n GLY 31 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 0.45 -2.33 0.99 -0.00 -1.86 -3.50 115.31 109.06 2fn5 h LEU 32 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 2fn5 h LEU 32 Cb 0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.49 2fn5 h LEU 32 CO 0.00 1.56 -0.84 -0.62 -0.00 0.00 0.00 178.44 178.54 2fn5 n GLU 33 N -3.48 -2.84 -0.55 1.13 1.02 -1.23 -5.07 120.64 109.61 2fn5 n GLU 33 Ca -0.20 2.35 0.00 0.00 -0.02 0.00 0.00 57.16 59.30 2fn5 n GLU 33 Cb 1.05 -4.32 0.00 0.00 -0.02 0.00 0.00 31.44 28.15 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 0.67 0.00 -0.82 3.49 2.85 -1.26 -5.05 118.16 118.04 2fn5 n LYS 34 Ca -0.06 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.88 2fn5 n LYS 34 Cb 0.09 0.00 0.15 0.00 -0.65 0.00 0.00 35.03 34.61 2fn5 n LYS 34 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2fn5 n LEU 35 N 0.00 2.84 -1.41 -5.58 -0.00 -1.26 -4.57 117.00 107.01 2fn5 n LEU 35 Ca 0.00 0.45 -0.09 0.00 -0.00 0.00 0.00 56.01 56.37 2fn5 n LEU 35 Cb 0.00 -1.43 0.19 0.00 -0.00 0.00 0.00 43.42 42.18 2fn5 n LEU 35 CO 0.00 -2.36 0.80 0.61 -0.00 0.00 0.00 177.39 176.44 2fn5 n GLY 36 N 0.62 4.91 3.55 1.47 0.00 -1.26 -4.66 105.19 109.82 2fn5 n GLY 36 Ca 0.11 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.34 4.81 0.25 -0.61 -1.09 -1.26 0.27 121.20 120.22 2fn5 s ILE 37 Ca 0.48 0.39 0.07 0.00 -2.23 0.00 0.00 60.65 59.36 2fn5 s ILE 37 Cb 0.42 -4.18 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2fn5 s ILE 37 CO 0.02 -0.50 0.22 -0.36 -1.23 0.00 0.00 174.94 173.08 2fn5 s PHE 38 N 2.88 3.17 -0.12 3.97 0.40 -0.05 -2.66 117.98 125.57 2fn5 s PHE 38 Ca 0.25 -0.09 -0.30 0.00 -0.60 0.00 0.00 56.93 56.19 2fn5 s PHE 38 Cb -0.14 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 41.94 2fn5 s PHE 38 CO 0.18 0.51 1.25 0.08 0.70 0.00 0.00 175.22 177.94 2fn5 s VAL 39 N -2.10 4.24 -0.16 -0.44 1.01 -0.79 -0.17 120.40 121.98 2fn5 s VAL 39 Ca 0.33 1.53 -0.21 0.00 0.00 0.00 0.00 61.98 63.63 2fn5 s VAL 39 Cb -0.08 -3.98 -0.23 0.00 0.00 0.00 0.00 36.38 32.08 2fn5 s VAL 39 CO 0.26 -0.08 0.45 0.50 0.00 0.00 0.00 175.10 176.22 2fn5 h LYS 40 N 7.95 0.08 -3.46 2.72 3.64 -0.68 -3.43 116.57 123.39 2fn5 h LYS 40 Ca -0.30 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 2fn5 h LYS 40 Cb 1.13 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.88 2fn5 h LYS 40 CO 0.94 1.07 -0.09 0.99 -2.27 0.00 0.00 179.45 180.08 2fn5 s THR 41 N -2.37 0.06 0.09 1.00 2.01 -0.93 -4.95 115.64 110.55 2fn5 s THR 41 Ca -0.24 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.01 2fn5 s THR 41 Cb 0.03 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 2fn5 s THR 41 CO 0.67 -0.27 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.50 2fn5 s VAL 42 N -3.86 1.21 0.67 3.82 1.01 -1.26 -0.65 120.40 121.34 2fn5 s VAL 42 Ca 0.07 -1.48 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 2fn5 s VAL 42 Cb 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2fn5 s VAL 42 CO -0.07 -0.30 1.26 0.28 0.00 0.00 0.00 175.10 176.27 2fn5 s THR 43 N -1.62 2.16 0.11 3.92 -1.32 -1.14 -4.93 115.64 112.82 2fn5 s THR 43 Ca 0.03 0.09 -0.31 0.00 -1.21 0.00 0.00 61.69 60.29 2fn5 s THR 43 Cb -0.08 -2.93 -0.12 0.00 -1.51 0.00 0.00 72.50 67.87 2fn5 s THR 43 CO 0.02 -0.03 1.50 -0.08 -2.21 0.00 0.00 174.62 173.83 2fn5 h GLU 44 N 0.32 -0.50 0.00 7.08 4.57 -1.95 -3.40 114.58 120.70 2fn5 h GLU 44 Ca -0.50 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2fn5 h GLU 44 Cb 1.32 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 2fn5 h GLU 44 CO 0.52 -0.34 0.00 0.41 -1.18 0.00 0.00 179.01 178.43 2fn5 n GLY 45 N -1.39 -1.55 0.09 1.92 0.00 -1.26 -4.66 105.19 98.34 2fn5 n GLY 45 Ca -0.05 0.68 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 2fn5 n GLY 45 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2fn5 h GLY 46 N 0.00 0.08 0.00 -0.02 0.00 -1.94 -3.44 103.07 97.76 2fn5 h GLY 46 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2fn5 h GLY 46 CO 0.00 0.18 0.00 0.00 0.00 0.00 0.00 176.54 176.72 2fn5 n ALA 47 N -2.62 0.00 0.36 3.60 0.00 -1.26 -4.88 120.51 115.71 2fn5 n ALA 47 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 2fn5 n ALA 47 Cb 1.04 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.42 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 0.00 -0.95 0.00 0.00 0.00 -1.89 0.63 119.26 117.06 2fn5 h ALA 48 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2fn5 h ALA 48 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2fn5 h ALA 48 CO 0.00 -0.89 0.00 1.04 0.00 0.00 0.00 179.25 179.40 2fn5 n GLN 49 N -5.41 0.90 -0.04 0.00 6.02 -1.26 -1.63 117.38 115.96 2fn5 n GLN 49 Ca -0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.82 2fn5 n GLN 49 Cb 0.38 -1.16 -0.14 0.00 1.02 0.00 0.00 30.24 30.34 2fn5 n GLN 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2fn5 n ARG 50 N -0.66 0.66 -0.09 -1.09 5.12 -0.89 -3.96 116.66 115.75 2fn5 n ARG 50 Ca 0.07 0.09 -0.06 0.00 -1.93 0.00 0.00 57.85 56.01 2fn5 n ARG 50 Cb 0.03 -1.65 0.12 0.00 -1.16 0.00 0.00 32.46 29.81 2fn5 n ARG 50 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2fn5 h ASP 51 N 0.00 0.77 0.00 0.55 3.58 0.08 -3.47 116.42 117.93 2fn5 h ASP 51 Ca -0.33 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 56.88 2fn5 h ASP 51 Cb 1.88 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.73 2fn5 h ASP 51 CO 0.04 0.91 0.00 0.61 -2.88 0.00 0.00 179.24 177.92 2fn5 n GLY 52 N -0.41 2.50 0.26 -0.78 0.00 -1.12 -4.79 105.19 100.84 2fn5 n GLY 52 Ca 0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.58 -6.53 1.61 2.43 -1.90 -3.43 114.38 105.98 2fn5 h ARG 53 Ca 0.00 0.04 -0.53 0.00 -0.81 0.00 0.00 59.98 58.68 2fn5 h ARG 53 Cb 0.00 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2fn5 h ARG 53 CO 0.00 -0.35 0.15 -1.50 -1.51 0.00 0.00 179.97 176.76 2fn5 s ILE 54 N -5.77 4.45 0.34 1.20 2.07 -1.26 -5.06 121.20 117.17 2fn5 s ILE 54 Ca -0.16 1.54 0.04 0.00 -1.41 0.00 0.00 60.65 60.67 2fn5 s ILE 54 Cb 0.04 -4.03 -0.02 0.00 0.13 0.00 0.00 42.46 38.58 2fn5 s ILE 54 CO 0.61 0.41 0.36 0.00 -1.91 0.00 0.00 174.94 174.41 2fn5 n GLN 55 N 1.29 0.52 0.19 3.50 6.02 -1.26 -4.71 117.38 122.94 2fn5 n GLN 55 Ca -0.05 -3.19 0.05 0.00 -0.01 0.00 0.00 57.00 53.80 2fn5 n GLN 55 Cb 0.50 2.76 0.50 0.00 1.02 0.00 0.00 30.24 35.02 2fn5 n GLN 55 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2fn5 h VAL 56 N 2.07 1.11 -0.11 5.09 2.07 -1.92 -2.80 116.25 121.76 2fn5 h VAL 56 Ca -0.25 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2fn5 h VAL 56 Cb 1.21 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2fn5 h VAL 56 CO 0.36 0.15 0.00 0.59 0.02 0.00 0.00 177.57 178.69 2fn5 n ASN 57 N -4.37 1.68 -4.95 0.57 3.02 -1.26 -4.12 115.26 105.83 2fn5 n ASN 57 Ca -0.02 -2.14 -0.22 0.00 -0.03 0.00 0.00 54.58 52.17 2fn5 n ASN 57 Cb 0.21 -0.47 0.01 0.00 -0.61 0.00 0.00 39.78 38.92 2fn5 n ASN 57 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2fn5 s ASP 58 N -0.26 5.02 -0.03 6.41 1.01 -1.06 -5.00 116.67 122.75 2fn5 s ASP 58 Ca 0.10 -0.89 0.04 0.00 0.71 0.00 0.00 52.55 52.51 2fn5 s ASP 58 Cb 0.07 0.01 -0.00 0.00 1.01 0.00 0.00 42.92 44.00 2fn5 s ASP 58 CO 0.03 -1.03 -0.15 -1.58 0.21 0.00 0.00 175.17 172.65 2fn5 s GLN 59 N -4.38 1.54 0.27 8.23 0.74 -1.26 -1.88 119.66 122.90 2fn5 s GLN 59 Ca 0.49 -0.55 -0.30 0.00 0.05 0.00 0.00 55.36 55.06 2fn5 s GLN 59 Cb -0.05 -1.37 -0.09 0.00 1.10 0.00 0.00 33.01 32.60 2fn5 s GLN 59 CO 0.30 0.24 1.06 0.42 -0.55 0.00 0.00 175.29 176.77 2fn5 s ILE 60 N -0.01 3.63 0.03 -2.34 -1.09 -1.09 -4.34 121.20 115.99 2fn5 s ILE 60 Ca -0.02 1.63 -0.01 0.00 -2.23 0.00 0.00 60.65 60.03 2fn5 s ILE 60 Cb -0.10 -4.04 -0.00 0.00 -1.58 0.00 0.00 42.46 36.74 2fn5 s ILE 60 CO 0.01 0.39 -0.01 0.52 -1.23 0.00 0.00 174.94 174.62 2fn5 n VAL 61 N 1.30 0.50 -3.32 2.92 0.31 -0.98 -4.78 118.33 114.28 2fn5 n VAL 61 Ca -0.01 0.14 -0.09 0.00 -0.01 0.00 0.00 64.34 64.36 2fn5 n VAL 61 Cb 0.45 -1.55 -0.07 0.00 -0.91 0.00 0.00 33.84 31.76 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 -2.02 0.39 -0.19 5.55 2.12 -0.19 -3.63 118.70 120.73 2fn5 s GLU 62 Ca -0.01 0.23 -0.14 0.00 0.36 0.00 0.00 54.97 55.41 2fn5 s GLU 62 Cb 0.00 -0.36 -0.04 0.00 0.26 0.00 0.00 34.13 33.99 2fn5 s GLU 62 CO 0.02 -0.92 0.30 0.08 -0.54 0.00 0.00 175.26 174.19 2fn5 s VAL 63 N 2.54 5.29 -1.96 3.70 1.01 -1.26 -0.18 120.40 129.53 2fn5 s VAL 63 Ca 0.11 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2fn5 s VAL 63 Cb -0.13 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2fn5 s VAL 63 CO -0.26 0.34 0.00 -0.67 0.00 0.00 0.00 175.10 174.50 2fn5 n ASP 64 N 3.99 -5.36 -0.48 3.32 2.03 0.11 -0.47 116.55 119.70 2fn5 n ASP 64 Ca -0.11 0.46 -0.06 0.00 0.52 0.00 0.00 54.79 55.59 2fn5 n ASP 64 Cb 0.52 -4.49 -0.03 0.00 -0.72 0.00 0.00 41.12 36.40 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 -0.52 0.84 0.09 0.27 0.00 -1.26 -4.90 105.19 99.70 2fn5 n GLY 65 Ca -0.18 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.19 2fn5 n GLY 65 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2fn5 n ILE 66 N -2.85 0.52 -3.31 -0.61 3.06 0.38 -4.99 119.36 111.56 2fn5 n ILE 66 Ca -0.06 -0.26 -0.28 0.00 -2.50 0.00 0.00 62.75 59.65 2fn5 n ILE 66 Cb 0.21 -0.50 0.03 0.00 0.54 0.00 0.00 39.64 39.91 2fn5 n ILE 66 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2fn5 n SER 67 N -2.18 -6.23 -1.22 9.51 7.64 -1.26 -4.87 113.62 115.01 2fn5 n SER 67 Ca 0.05 0.10 0.04 0.00 1.01 0.00 0.00 58.87 60.08 2fn5 n SER 67 Cb 0.42 -2.61 0.23 0.00 -1.01 0.00 0.00 64.21 61.25 2fn5 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fn5 n LEU 68 N -0.05 3.49 -4.55 -3.43 -0.00 -1.24 -4.85 117.00 106.37 2fn5 n LEU 68 Ca -0.03 -1.76 -0.40 0.00 -0.00 0.00 0.00 56.01 53.81 2fn5 n LEU 68 Cb 0.60 -0.55 -0.04 0.00 -0.00 0.00 0.00 43.42 43.42 2fn5 n LEU 68 CO 0.49 0.48 1.96 0.52 -0.00 0.00 0.00 177.39 180.84 2fn5 n VAL 69 N 0.42 0.10 0.00 1.47 0.31 -1.25 -1.77 118.33 117.62 2fn5 n VAL 69 Ca 0.16 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2fn5 n VAL 69 Cb 0.72 -2.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 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 6.01 1.93 3.82 2.92 0.00 -1.26 -4.84 105.19 113.77 2fn5 n GLY 70 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 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 1.70 0.47 1.61 -7.23 -0.73 -5.02 120.40 109.20 2fn5 s VAL 71 Ca 0.00 -1.69 0.08 0.00 -1.81 0.00 0.00 61.98 58.55 2fn5 s VAL 71 Cb 0.00 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.57 2fn5 s VAL 71 CO 0.00 0.00 0.52 0.42 -0.31 0.00 0.00 175.10 175.73 2fn5 s THR 72 N -2.75 2.47 0.43 5.32 -4.23 -1.26 -4.63 115.64 110.98 2fn5 s THR 72 Ca 0.28 -1.20 0.10 0.00 -1.18 0.00 0.00 61.69 59.68 2fn5 s THR 72 Cb 0.01 -2.67 0.28 0.00 1.34 0.00 0.00 72.50 71.45 2fn5 s THR 72 CO 0.16 0.00 2.06 0.06 -0.54 0.00 0.00 174.62 176.36 2fn5 h GLN 73 N 0.70 0.45 -0.16 3.99 -0.00 -1.94 -0.78 115.11 117.36 2fn5 h GLN 73 Ca -0.38 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.17 2fn5 h GLN 73 Cb 1.28 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 28.65 2fn5 h GLN 73 CO 0.50 0.30 -0.22 -2.95 -0.00 0.00 0.00 178.83 176.46 2fn5 h ASN 74 N 0.46 0.28 0.01 0.06 -1.07 -1.98 0.34 115.58 113.69 2fn5 h ASN 74 Ca 0.16 -0.08 -0.02 0.00 0.07 0.00 0.00 56.30 56.43 2fn5 h ASN 74 Cb 0.06 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.24 2fn5 h ASN 74 CO -0.04 0.52 -0.09 0.15 0.07 0.00 0.00 177.43 178.04 2fn5 h PHE 75 N 0.26 0.07 -0.65 4.14 3.04 -1.58 -3.18 116.94 119.04 2fn5 h PHE 75 Ca 0.04 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2fn5 h PHE 75 Cb 0.54 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.02 2fn5 h PHE 75 CO 0.01 0.98 0.41 0.00 -2.02 0.00 0.00 178.31 177.70 2fn5 h ALA 76 N 0.07 0.82 0.00 2.41 0.00 -1.04 -0.72 119.26 120.80 2fn5 h ALA 76 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2fn5 h ALA 76 Cb 1.02 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2fn5 h ALA 76 CO 0.02 0.28 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 2fn5 h ALA 77 N 1.22 1.19 0.11 0.00 0.00 -0.44 0.85 119.26 122.19 2fn5 h ALA 77 Ca 0.24 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 2fn5 h ALA 77 Cb -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2fn5 h ALA 77 CO -0.05 0.05 -0.77 1.15 0.00 0.00 0.00 179.25 179.64 2fn5 h THR 78 N 0.00 1.49 0.24 0.00 2.02 -1.20 -3.09 112.91 112.37 2fn5 h THR 78 Ca -0.00 -2.49 -0.01 0.00 0.77 0.00 0.00 66.41 64.68 2fn5 h THR 78 Cb 0.20 3.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 2fn5 h THR 78 CO 0.01 0.69 -0.12 0.58 0.37 0.00 0.00 175.52 177.05 2fn5 h VAL 79 N -0.48 0.80 0.00 3.16 2.07 -0.35 0.97 116.25 122.42 2fn5 h VAL 79 Ca -0.14 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2fn5 h VAL 79 Cb 1.55 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2fn5 h VAL 79 CO 0.11 0.05 0.00 0.18 0.02 0.00 0.00 177.57 177.93 2fn5 n LEU 80 N -5.18 0.00 -0.07 2.57 7.99 0.22 -1.25 117.00 121.27 2fn5 n LEU 80 Ca -0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.76 2fn5 n LEU 80 Cb 0.19 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.44 2fn5 n LEU 80 CO 0.34 0.00 -1.01 -1.14 -1.51 0.00 0.00 177.39 174.07 2fn5 n ARG 81 N -0.66 0.33 0.02 3.23 0.63 -0.91 -4.50 116.66 114.80 2fn5 n ARG 81 Ca 0.04 0.13 0.14 0.00 -0.92 0.00 0.00 57.85 57.23 2fn5 n ARG 81 Cb 0.02 -1.10 0.58 0.00 0.45 0.00 0.00 32.46 32.41 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 -3.50 0.13 -4.77 6.15 3.02 0.29 -4.63 115.26 111.96 2fn5 n ASN 82 Ca -0.29 0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 2fn5 n ASN 82 Cb 0.73 -0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 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 -3.02 2.34 -0.04 3.41 -4.23 -0.38 -5.00 115.64 108.72 2fn5 s THR 83 Ca 0.13 0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.99 2fn5 s THR 83 Cb 0.18 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.82 2fn5 s THR 83 CO 0.53 0.07 -0.10 -0.54 -0.54 0.00 0.00 174.62 174.05 2fn5 s LYS 84 N -1.48 1.23 0.00 3.99 -0.14 -1.26 -4.44 119.74 117.64 2fn5 s LYS 84 Ca 0.54 -0.31 0.00 0.00 -1.36 0.00 0.00 55.97 54.84 2fn5 s LYS 84 Cb -0.44 -1.09 0.00 0.00 -1.68 0.00 0.00 37.83 34.62 2fn5 s LYS 84 CO 0.55 0.05 0.00 0.41 -0.76 0.00 0.00 175.35 175.59 2fn5 n GLY 85 N 3.63 -0.11 3.28 -3.33 0.00 -1.26 -4.37 105.19 103.02 2fn5 n GLY 85 Ca -0.22 0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.27 6.01 -0.15 1.61 -0.87 -1.25 0.67 114.94 119.69 2fn5 s ASN 86 Ca 0.00 -1.82 -0.00 0.00 -1.57 0.00 0.00 52.86 49.47 2fn5 s ASN 86 Cb 0.00 -2.14 -0.01 0.00 -0.02 0.00 0.00 41.25 39.08 2fn5 s ASN 86 CO 0.00 -0.79 -0.13 -0.69 -2.57 0.00 0.00 177.10 172.92 2fn5 s VAL 87 N 1.51 2.97 -0.60 1.60 1.01 0.29 -4.91 120.40 122.27 2fn5 s VAL 87 Ca 0.04 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 2fn5 s VAL 87 Cb -0.28 -2.26 0.15 0.00 0.00 0.00 0.00 36.38 33.98 2fn5 s VAL 87 CO 0.02 0.51 0.56 -0.13 0.00 0.00 0.00 175.10 176.06 2fn5 s ARG 88 N 0.60 3.13 -0.65 2.72 0.52 -1.26 0.36 118.95 124.37 2fn5 s ARG 88 Ca -0.08 -1.88 -0.23 0.00 -0.52 0.00 0.00 55.73 53.03 2fn5 s ARG 88 Cb -0.16 -4.33 0.06 0.00 0.52 0.00 0.00 34.95 31.05 2fn5 s ARG 88 CO 0.03 -1.32 0.97 -0.06 0.02 0.00 0.00 175.30 174.94 2fn5 s PHE 89 N 1.28 2.67 -0.85 -0.53 0.40 0.99 0.08 117.98 122.03 2fn5 s PHE 89 Ca 0.06 -0.46 -0.22 0.00 -0.60 0.00 0.00 56.93 55.71 2fn5 s PHE 89 Cb -0.26 -4.27 0.08 0.00 0.51 0.00 0.00 43.02 39.08 2fn5 s PHE 89 CO 0.00 -1.63 1.17 0.08 0.70 0.00 0.00 175.22 175.55 2fn5 s VAL 90 N 4.12 4.29 0.24 -0.44 1.01 0.74 0.18 120.40 130.54 2fn5 s VAL 90 Ca 0.24 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.53 2fn5 s VAL 90 Cb -0.16 -4.83 -0.04 0.00 0.00 0.00 0.00 36.38 31.34 2fn5 s VAL 90 CO 0.11 -1.64 -0.01 -0.63 0.00 0.00 0.00 175.10 172.93 2fn5 s ILE 91 N 4.02 3.46 0.36 2.22 1.01 -0.69 -1.02 121.20 130.56 2fn5 s ILE 91 Ca 0.33 -1.81 0.08 0.00 0.00 0.00 0.00 60.65 59.24 2fn5 s ILE 91 Cb -0.08 -2.82 -0.07 0.00 0.01 0.00 0.00 42.46 39.50 2fn5 s ILE 91 CO -0.01 -0.31 -0.04 -0.83 0.00 0.00 0.00 174.94 173.76 2fn5 s GLY 92 N -3.47 2.26 -0.14 6.18 0.00 -1.26 -0.36 107.32 110.53 2fn5 s GLY 92 Ca 0.30 -2.15 -0.01 0.00 0.00 0.00 0.00 44.72 42.86 2fn5 s GLY 92 CO 0.19 -2.01 -0.11 -1.60 0.00 0.00 0.00 173.10 169.56 2fn5 s ARG 93 N -3.69 3.40 0.00 2.90 3.00 -0.19 -4.79 118.95 119.58 2fn5 s ARG 93 Ca 0.33 -0.67 0.20 0.00 -1.00 0.00 0.00 55.73 54.60 2fn5 s ARG 93 Cb 0.06 -2.70 0.16 0.00 0.00 0.00 0.00 34.95 32.47 2fn5 s ARG 93 CO 0.16 0.16 1.14 0.39 0.00 0.00 0.00 175.30 177.15