#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 3.42 -0.10 1.61 3.76 -1.26 -5.01 115.29 117.71 2fn5 s HIS 2 Ca 0.00 1.02 -0.15 0.00 -0.15 0.00 0.00 55.06 55.78 2fn5 s HIS 2 Cb 0.00 -2.82 0.03 0.00 1.11 0.00 0.00 32.58 30.91 2fn5 s HIS 2 CO 0.00 -0.12 0.38 1.41 -0.85 0.00 0.00 174.74 175.55 2fn5 s MET 3 N 1.70 0.55 -0.40 1.40 0.00 -1.26 -4.66 119.30 116.63 2fn5 s MET 3 Ca 0.31 0.31 -0.11 0.00 0.00 0.00 0.00 55.69 56.21 2fn5 s MET 3 Cb -0.16 0.26 0.05 0.00 0.00 0.00 0.00 34.83 34.98 2fn5 s MET 3 CO 0.12 -0.11 0.24 -2.00 0.00 0.00 0.00 175.02 173.28 2fn5 s GLU 4 N -0.32 2.74 -0.09 4.11 2.12 -0.73 -4.91 118.70 121.62 2fn5 s GLU 4 Ca -0.05 -1.26 -0.23 0.00 0.36 0.00 0.00 54.97 53.79 2fn5 s GLU 4 Cb -0.03 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 2fn5 s GLU 4 CO 0.02 -0.83 0.70 -0.51 -0.54 0.00 0.00 175.26 174.09 2fn5 s LEU 5 N 1.51 4.28 -0.03 2.70 2.01 -1.26 -0.93 118.68 126.96 2fn5 s LEU 5 Ca 0.02 1.14 -0.04 0.00 0.01 0.00 0.00 54.13 55.26 2fn5 s LEU 5 Cb -0.21 -3.06 0.01 0.00 0.01 0.00 0.00 46.19 42.93 2fn5 s LEU 5 CO 0.05 -0.15 0.10 0.72 1.01 0.00 0.00 176.35 178.07 2fn5 s PHE 6 N 1.03 -0.07 -0.18 0.29 -0.12 0.98 -4.94 117.98 114.97 2fn5 s PHE 6 Ca 0.36 0.17 -0.28 0.00 -0.05 0.00 0.00 56.93 57.14 2fn5 s PHE 6 Cb -0.17 0.01 -0.00 0.00 -0.63 0.00 0.00 43.02 42.23 2fn5 s PHE 6 CO 0.17 -0.09 0.97 -1.25 -0.05 0.00 0.00 175.22 174.97 2fn5 s PRO 7 N -0.22 4.32 -0.51 1.99 0.04 -1.26 -1.18 135.00 138.19 2fn5 s PRO 7 Ca -0.03 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.16 2fn5 s PRO 7 Cb -0.02 -3.59 0.12 0.00 0.04 0.00 0.00 34.50 31.05 2fn5 s PRO 7 CO 0.00 -0.46 0.43 0.08 0.04 0.00 0.00 177.00 177.09 2fn5 s VAL 8 N 2.56 4.77 -0.67 -0.36 1.01 0.21 -4.88 120.40 123.03 2fn5 s VAL 8 Ca 0.44 -1.60 -0.26 0.00 0.00 0.00 0.00 61.98 60.55 2fn5 s VAL 8 Cb -0.16 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.18 2fn5 s VAL 8 CO 0.11 -0.81 1.19 -0.70 0.00 0.00 0.00 175.10 174.89 2fn5 s GLU 9 N 1.50 3.27 -0.14 2.72 2.12 -1.24 -0.60 118.70 126.32 2fn5 s GLU 9 Ca 0.04 -0.20 -0.06 0.00 0.36 0.00 0.00 54.97 55.12 2fn5 s GLU 9 Cb -0.28 -4.13 -0.04 0.00 0.26 0.00 0.00 34.13 29.94 2fn5 s GLU 9 CO 0.02 -1.93 0.06 -1.17 -0.54 0.00 0.00 175.26 171.69 2fn5 s LEU 10 N 5.18 3.84 -0.58 2.70 1.98 0.41 -4.89 118.68 127.32 2fn5 s LEU 10 Ca 0.35 0.16 -0.13 0.00 -2.89 0.00 0.00 54.13 51.63 2fn5 s LEU 10 Cb -0.09 -1.94 0.15 0.00 0.66 0.00 0.00 46.19 44.96 2fn5 s LEU 10 CO 0.17 0.27 0.50 -0.70 -1.89 0.00 0.00 176.35 174.71 2fn5 s GLU 11 N -0.23 2.93 0.87 1.98 2.12 -1.25 -0.11 118.70 125.00 2fn5 s GLU 11 Ca 0.08 -1.92 -0.10 0.00 0.36 0.00 0.00 54.97 53.39 2fn5 s GLU 11 Cb -0.12 -4.18 0.17 0.00 0.26 0.00 0.00 34.13 30.26 2fn5 s GLU 11 CO 0.01 -1.27 1.19 0.15 -0.54 0.00 0.00 175.26 174.81 2fn5 s LYS 12 N 1.16 1.08 0.44 4.30 -0.14 0.19 -4.77 119.74 122.01 2fn5 s LYS 12 Ca 0.07 -0.65 -0.07 0.00 -1.36 0.00 0.00 55.97 53.96 2fn5 s LYS 12 Cb -0.25 -2.03 0.10 0.00 -1.68 0.00 0.00 37.83 33.97 2fn5 s LYS 12 CO -0.01 -2.02 0.60 -0.25 -0.76 0.00 0.00 175.35 172.91 2fn5 n ASP 13 N -3.40 0.08 0.19 2.83 9.92 -1.26 -4.61 116.55 120.30 2fn5 n ASP 13 Ca 0.15 -1.24 0.05 0.00 -0.53 0.00 0.00 54.79 53.22 2fn5 n ASP 13 Cb 0.60 -0.46 0.33 0.00 -0.64 0.00 0.00 41.12 40.95 2fn5 n ASP 13 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2fn5 h GLU 14 N 0.00 0.00 -0.82 -1.24 4.11 -1.99 -3.09 114.58 111.55 2fn5 h GLU 14 Ca -0.19 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.26 2fn5 h GLU 14 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 2fn5 h GLU 14 CO 0.14 0.39 0.53 0.22 0.07 0.00 0.00 179.01 180.36 2fn5 h ASP 15 N 0.00 0.89 0.00 3.06 1.82 -1.96 -3.49 116.42 116.75 2fn5 h ASP 15 Ca -0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2fn5 h ASP 15 Cb 0.89 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.69 2fn5 h ASP 15 CO 0.05 0.62 0.00 0.61 -1.61 0.00 0.00 179.24 178.92 2fn5 n GLY 16 N -1.32 0.87 0.72 -0.78 0.00 -1.17 -4.80 105.19 98.70 2fn5 n GLY 16 Ca 0.09 -1.12 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 2fn5 n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2fn5 n LEU 17 N 0.00 0.77 -0.03 0.99 7.94 -1.26 -4.00 117.00 121.41 2fn5 n LEU 17 Ca 0.00 0.11 -0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2fn5 n LEU 17 Cb 0.00 -0.33 -0.00 0.00 0.53 0.00 0.00 43.42 43.62 2fn5 n LEU 17 CO 0.00 -0.56 -0.00 0.61 -1.11 0.00 0.00 177.39 176.33 2fn5 n GLY 18 N 2.86 0.36 3.93 -3.96 0.00 -1.26 -4.55 105.19 102.56 2fn5 n GLY 18 Ca -0.02 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.01 2.54 0.08 -0.61 -4.36 -1.26 -3.03 121.20 112.55 2fn5 s ILE 19 Ca 0.00 -1.25 0.08 0.00 -0.26 0.00 0.00 60.65 59.22 2fn5 s ILE 19 Cb 0.00 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.89 2fn5 s ILE 19 CO 0.00 0.00 -0.22 -0.44 0.24 0.00 0.00 174.94 174.52 2fn5 s SER 20 N -4.26 2.66 0.31 4.36 0.01 0.28 -4.90 113.70 112.16 2fn5 s SER 20 Ca 0.49 -0.62 0.10 0.00 1.31 0.00 0.00 55.95 57.24 2fn5 s SER 20 Cb -0.05 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 2fn5 s SER 20 CO 0.29 0.13 -0.09 0.27 0.41 0.00 0.00 173.24 174.26 2fn5 s ILE 21 N -0.97 2.65 -0.05 1.44 -5.25 -1.26 -0.47 121.20 117.30 2fn5 s ILE 21 Ca 0.08 -2.16 0.03 0.00 -0.99 0.00 0.00 60.65 57.61 2fn5 s ILE 21 Cb -0.10 -2.60 0.01 0.00 2.95 0.00 0.00 42.46 42.72 2fn5 s ILE 21 CO 0.03 -0.31 -0.13 -0.51 -1.79 0.00 0.00 174.94 172.24 2fn5 s ILE 22 N -2.50 1.12 -0.49 8.37 2.07 -0.02 -4.59 121.20 125.16 2fn5 s ILE 22 Ca 0.32 -0.51 -0.20 0.00 -1.41 0.00 0.00 60.65 58.86 2fn5 s ILE 22 Cb -0.03 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.61 2fn5 s ILE 22 CO 0.17 0.34 0.64 -0.83 -1.91 0.00 0.00 174.94 173.36 2fn5 s GLY 23 N 0.39 1.74 0.21 1.50 0.00 -1.26 -1.74 107.32 108.15 2fn5 s GLY 23 Ca -0.09 -1.58 0.10 0.00 0.00 0.00 0.00 44.72 43.15 2fn5 s GLY 23 CO 0.02 1.52 -0.12 1.06 0.00 0.00 0.00 173.10 175.58 2fn5 s MET 24 N 2.75 1.96 -0.85 2.90 -1.94 0.59 -4.97 119.30 119.74 2fn5 s MET 24 Ca 0.18 -1.41 0.00 0.00 -1.71 0.00 0.00 55.69 52.75 2fn5 s MET 24 Cb -0.17 -2.06 0.24 0.00 2.01 0.00 0.00 34.83 34.85 2fn5 s MET 24 CO 0.14 0.40 0.86 0.41 -0.01 0.00 0.00 175.02 176.82 2fn5 n GLY 25 N -0.19 4.43 3.50 -0.03 0.00 -1.26 -2.37 105.19 109.27 2fn5 n GLY 25 Ca -0.09 -2.65 -0.42 0.00 0.00 0.00 0.00 46.02 42.86 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 -1.86 4.19 0.00 1.61 0.11 -1.26 -4.93 120.40 118.26 2fn5 s VAL 26 Ca 0.31 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2fn5 s VAL 26 Cb -0.00 -4.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.01 2fn5 s VAL 26 CO -0.07 -1.67 0.00 0.61 -3.33 0.00 0.00 175.10 170.64 2fn5 n GLY 27 N 5.72 0.60 3.39 6.54 0.00 -1.26 -2.19 105.19 117.98 2fn5 n GLY 27 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 2fn5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fn5 s ALA 28 N -3.30 3.34 0.22 4.61 0.00 -1.26 -1.71 121.76 123.66 2fn5 s ALA 28 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.80 2fn5 s ALA 28 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2fn5 s ALA 28 CO 0.00 -2.47 0.00 -3.47 0.00 0.00 0.00 175.76 169.82 2fn5 n ASP 29 N 6.66 -0.28 -0.13 0.00 2.03 -1.26 -4.93 116.55 118.64 2fn5 n ASP 29 Ca -0.07 0.38 -0.18 0.00 0.52 0.00 0.00 54.79 55.44 2fn5 n ASP 29 Cb 0.43 0.44 -0.12 0.00 -0.72 0.00 0.00 41.12 41.16 2fn5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fn5 n ALA 30 N -3.22 1.44 0.00 -1.67 0.00 -1.26 -5.01 120.51 110.80 2fn5 n ALA 30 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.36 2fn5 n ALA 30 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 2.24 0.00 0.08 0.00 0.00 -1.26 -4.90 105.19 101.35 2fn5 n GLY 31 Ca -0.45 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 1.88 -3.26 0.99 7.99 -1.26 -1.35 117.00 121.98 2fn5 n LEU 32 Ca 0.00 0.48 -0.08 0.00 -0.01 0.00 0.00 56.01 56.40 2fn5 n LEU 32 Cb 0.00 -0.81 0.00 0.00 -0.11 0.00 0.00 43.42 42.50 2fn5 n LEU 32 CO 0.00 -0.33 0.17 -0.62 -1.51 0.00 0.00 177.39 175.09 2fn5 n GLU 33 N -4.53 -1.43 -0.67 3.23 1.02 -0.70 -4.85 120.64 112.72 2fn5 n GLU 33 Ca -0.12 1.31 0.00 0.00 -0.02 0.00 0.00 57.16 58.33 2fn5 n GLU 33 Cb 0.41 -4.75 0.00 0.00 -0.02 0.00 0.00 31.44 27.08 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 -1.94 0.00 -1.27 3.49 2.85 -0.93 -5.01 118.16 115.35 2fn5 n LYS 34 Ca -0.09 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.82 2fn5 n LYS 34 Cb 0.56 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 35.03 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 3.28 -1.36 -5.58 -0.00 -1.26 -4.21 117.00 107.87 2fn5 n LEU 35 Ca 0.00 0.63 -0.10 0.00 -0.00 0.00 0.00 56.01 56.54 2fn5 n LEU 35 Cb 0.00 -1.40 0.12 0.00 -0.00 0.00 0.00 43.42 42.14 2fn5 n LEU 35 CO 0.00 -2.14 0.39 0.61 -0.00 0.00 0.00 177.39 176.25 2fn5 n GLY 36 N 1.06 5.67 3.47 1.47 0.00 -1.00 -4.60 105.19 111.25 2fn5 n GLY 36 Ca 0.13 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.88 4.28 0.28 -0.61 -1.09 -1.25 -0.30 121.20 118.63 2fn5 s ILE 37 Ca 0.46 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.52 2fn5 s ILE 37 Cb 0.40 -4.73 -0.03 0.00 -1.58 0.00 0.00 42.46 36.52 2fn5 s ILE 37 CO -0.01 -1.52 0.45 -0.36 -1.23 0.00 0.00 174.94 172.27 2fn5 s PHE 38 N 4.16 3.48 -0.31 3.97 0.08 -0.71 -2.49 117.98 126.16 2fn5 s PHE 38 Ca 0.25 0.19 -0.29 0.00 0.12 0.00 0.00 56.93 57.20 2fn5 s PHE 38 Cb -0.15 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 2fn5 s PHE 38 CO 0.09 0.29 1.23 0.08 -0.10 0.00 0.00 175.22 176.81 2fn5 s VAL 39 N -2.12 4.25 -0.18 -0.44 1.01 -0.32 -0.84 120.40 121.76 2fn5 s VAL 39 Ca 0.37 1.42 -0.21 0.00 0.00 0.00 0.00 61.98 63.56 2fn5 s VAL 39 Cb -0.09 -4.24 -0.18 0.00 0.00 0.00 0.00 36.38 31.86 2fn5 s VAL 39 CO 0.32 -0.49 0.30 0.50 0.00 0.00 0.00 175.10 175.73 2fn5 h LYS 40 N 8.90 0.00 -3.92 2.72 3.64 -1.01 -3.38 116.57 123.52 2fn5 h LYS 40 Ca -0.24 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.02 2fn5 h LYS 40 Cb 1.09 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.74 2fn5 h LYS 40 CO 1.03 0.86 -0.53 0.99 -2.27 0.00 0.00 179.45 179.53 2fn5 s THR 41 N -2.28 0.16 0.10 1.00 2.01 -0.80 -4.95 115.64 110.87 2fn5 s THR 41 Ca -0.24 -1.29 0.07 0.00 0.31 0.00 0.00 61.69 60.55 2fn5 s THR 41 Cb 0.03 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 2fn5 s THR 41 CO 0.55 -0.71 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.90 2fn5 s VAL 42 N -3.19 1.54 0.45 3.82 1.01 -1.26 -0.56 120.40 122.22 2fn5 s VAL 42 Ca -0.00 -1.54 -0.24 0.00 0.00 0.00 0.00 61.98 60.19 2fn5 s VAL 42 Cb 0.02 -1.47 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 2fn5 s VAL 42 CO -0.07 -0.16 1.32 0.28 0.00 0.00 0.00 175.10 176.46 2fn5 s THR 43 N -1.38 2.47 -0.00 3.92 -1.32 -1.17 -4.91 115.64 113.25 2fn5 s THR 43 Ca 0.06 0.40 0.11 0.00 -1.21 0.00 0.00 61.69 61.04 2fn5 s THR 43 Cb -0.09 -3.22 -0.09 0.00 -1.51 0.00 0.00 72.50 67.59 2fn5 s THR 43 CO 0.04 0.04 1.34 1.05 -2.21 0.00 0.00 174.62 174.87 2fn5 h GLU 44 N 2.25 0.00 -2.19 7.08 4.11 -1.95 -3.38 114.58 120.50 2fn5 h GLU 44 Ca -0.50 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.34 2fn5 h GLU 44 Cb 1.26 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.10 2fn5 h GLU 44 CO 0.61 0.77 -0.70 0.41 0.07 0.00 0.00 179.01 180.17 2fn5 n GLY 45 N 1.30 4.79 3.35 1.06 0.00 -1.26 -4.89 105.19 109.54 2fn5 n GLY 45 Ca 0.01 -2.58 -0.13 0.00 0.00 0.00 0.00 46.02 43.31 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 -2.66 -0.34 0.00 -0.02 0.00 -1.26 -5.01 107.32 98.03 2fn5 s GLY 46 Ca 0.42 0.41 0.02 0.00 0.00 0.00 0.00 44.72 45.57 2fn5 s GLY 46 CO -0.07 0.13 0.65 0.00 0.00 0.00 0.00 173.10 173.81 2fn5 n ALA 47 N 0.40 1.54 0.02 3.20 0.00 -1.26 -2.74 120.51 121.67 2fn5 n ALA 47 Ca -0.18 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 2fn5 n ALA 47 Cb 0.60 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 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 2.13 -0.15 0.00 0.00 0.00 -1.90 0.29 119.26 119.63 2fn5 h ALA 48 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2fn5 h ALA 48 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2fn5 h ALA 48 CO 0.00 -0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.06 2fn5 n GLN 49 N -4.86 0.31 0.04 0.00 6.02 -1.11 -1.32 117.38 116.47 2fn5 n GLN 49 Ca -0.08 0.05 -0.20 0.00 -0.01 0.00 0.00 57.00 56.77 2fn5 n GLN 49 Cb 0.28 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.89 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 0.30 -0.25 -1.09 2.47 -1.51 -3.35 114.38 110.95 2fn5 h ARG 50 Ca 0.00 -0.51 -0.04 0.00 -1.26 0.00 0.00 59.98 58.17 2fn5 h ARG 50 Cb 0.26 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2fn5 h ARG 50 CO 0.00 1.18 0.00 0.22 0.56 0.00 0.00 179.97 181.94 2fn5 h ASP 51 N 0.08 0.43 0.00 7.04 1.82 -0.02 -3.47 116.42 122.31 2fn5 h ASP 51 Ca -0.34 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 55.99 2fn5 h ASP 51 Cb 2.06 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.95 2fn5 h ASP 51 CO 0.14 0.63 0.00 0.61 -1.61 0.00 0.00 179.24 179.01 2fn5 n GLY 52 N -0.33 2.98 0.32 -0.78 0.00 -0.43 -4.79 105.19 102.17 2fn5 n GLY 52 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 1.34 1.13 -7.25 1.61 2.43 -1.90 -3.43 114.38 108.31 2fn5 h ARG 53 Ca 0.00 -0.24 -0.49 0.00 -0.81 0.00 0.00 59.98 58.43 2fn5 h ARG 53 Cb 0.00 -0.16 0.06 0.00 -0.42 0.00 0.00 29.97 29.45 2fn5 h ARG 53 CO 0.00 0.97 0.30 -1.50 -1.51 0.00 0.00 179.97 178.22 2fn5 s ILE 54 N -5.41 4.12 0.08 1.20 2.07 -1.26 -5.08 121.20 116.93 2fn5 s ILE 54 Ca -0.12 0.41 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 2fn5 s ILE 54 Cb 0.15 -3.65 -0.00 0.00 0.13 0.00 0.00 42.46 39.09 2fn5 s ILE 54 CO 0.84 -0.77 0.01 0.00 -1.91 0.00 0.00 174.94 173.12 2fn5 n GLN 55 N -2.69 1.29 -0.09 3.50 3.00 -1.26 -4.95 117.38 116.18 2fn5 n GLN 55 Ca 0.05 -0.65 0.05 0.00 -0.01 0.00 0.00 57.00 56.44 2fn5 n GLN 55 Cb 0.56 0.27 0.07 0.00 0.00 0.00 0.00 30.24 31.14 2fn5 n GLN 55 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 2fn5 n VAL 56 N -0.20 1.30 -1.36 5.09 3.14 -1.26 -4.67 118.33 120.38 2fn5 n VAL 56 Ca -0.02 -1.50 0.02 0.00 -2.96 0.00 0.00 64.34 59.87 2fn5 n VAL 56 Cb 0.11 0.14 0.02 0.00 -1.06 0.00 0.00 33.84 33.06 2fn5 n VAL 56 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2fn5 n ASN 57 N -0.91 0.62 -1.98 6.55 0.23 -1.26 -4.55 115.26 113.96 2fn5 n ASN 57 Ca 0.09 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 2fn5 n ASN 57 Cb 0.52 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 2fn5 n ASN 57 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2fn5 n ASP 58 N -0.30 1.29 -3.96 0.53 5.75 -1.26 -4.96 116.55 113.62 2fn5 n ASP 58 Ca 0.03 -0.99 -0.21 0.00 -0.01 0.00 0.00 54.79 53.61 2fn5 n ASP 58 Cb 0.59 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.52 2fn5 n ASP 58 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2fn5 s GLN 59 N -1.96 1.06 -0.54 0.11 0.74 -1.26 -1.18 119.66 116.63 2fn5 s GLN 59 Ca 0.00 -0.25 -0.28 0.00 0.05 0.00 0.00 55.36 54.88 2fn5 s GLN 59 Cb 0.00 -0.97 0.00 0.00 1.10 0.00 0.00 33.01 33.14 2fn5 s GLN 59 CO 0.00 0.02 1.53 0.42 -0.55 0.00 0.00 175.29 176.71 2fn5 s ILE 60 N 0.56 3.68 -0.17 -2.34 -1.09 -1.04 -3.93 121.20 116.87 2fn5 s ILE 60 Ca -0.09 0.58 -0.23 0.00 -2.23 0.00 0.00 60.65 58.68 2fn5 s ILE 60 Cb -0.12 -4.27 -0.22 0.00 -1.58 0.00 0.00 42.46 36.26 2fn5 s ILE 60 CO 0.01 -1.05 0.43 0.58 -1.23 0.00 0.00 174.94 173.68 2fn5 h VAL 61 N 6.50 1.20 -2.10 2.92 2.07 -1.60 -3.45 116.25 121.78 2fn5 h VAL 61 Ca -0.27 -2.26 -0.05 0.00 0.82 0.00 0.00 66.70 64.94 2fn5 h VAL 61 Cb 1.11 2.65 -0.26 0.00 -1.52 0.00 0.00 31.29 33.27 2fn5 h VAL 61 CO 1.17 0.45 -0.34 -0.70 0.02 0.00 0.00 177.57 178.17 2fn5 s GLU 62 N -2.33 0.41 -0.16 1.57 2.12 0.01 -3.84 118.70 116.48 2fn5 s GLU 62 Ca -0.25 1.01 -0.04 0.00 0.36 0.00 0.00 54.97 56.05 2fn5 s GLU 62 Cb 0.03 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.68 2fn5 s GLU 62 CO 0.64 -0.37 -0.03 0.08 -0.54 0.00 0.00 175.26 175.04 2fn5 s VAL 63 N 2.68 3.93 -1.41 3.70 1.01 -1.26 0.27 120.40 129.33 2fn5 s VAL 63 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2fn5 s VAL 63 Cb -0.13 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2fn5 s VAL 63 CO -0.16 0.49 0.00 -0.67 0.00 0.00 0.00 175.10 174.77 2fn5 n ASP 64 N 3.52 -5.39 -0.01 3.32 2.03 -0.44 -0.59 116.55 119.00 2fn5 n ASP 64 Ca -0.17 0.33 -0.00 0.00 0.52 0.00 0.00 54.79 55.46 2fn5 n ASP 64 Cb 0.52 -4.06 -0.00 0.00 -0.72 0.00 0.00 41.12 36.87 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 -0.30 0.47 0.12 0.27 0.00 -1.26 -4.91 105.19 99.59 2fn5 n GLY 65 Ca -0.13 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.95 0.74 -3.43 -0.61 3.06 0.24 -4.95 119.36 111.46 2fn5 n ILE 66 Ca -0.00 0.03 -0.35 0.00 -2.50 0.00 0.00 62.75 59.93 2fn5 n ILE 66 Cb 0.03 -0.94 0.03 0.00 0.54 0.00 0.00 39.64 39.30 2fn5 n ILE 66 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2fn5 n SER 67 N -2.27 -5.81 -0.96 9.51 3.41 -1.26 -4.87 113.62 111.38 2fn5 n SER 67 Ca 0.03 -0.10 0.05 0.00 -0.26 0.00 0.00 58.87 58.60 2fn5 n SER 67 Cb 0.31 -2.15 0.20 0.00 -0.26 0.00 0.00 64.21 62.30 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 -0.29 2.76 -4.55 1.04 -0.00 -1.25 -4.82 117.00 109.89 2fn5 n LEU 68 Ca -0.07 -1.39 -0.32 0.00 -0.00 0.00 0.00 56.01 54.23 2fn5 n LEU 68 Cb 0.66 -0.41 -0.05 0.00 -0.00 0.00 0.00 43.42 43.62 2fn5 n LEU 68 CO 0.55 0.51 1.89 0.52 -0.00 0.00 0.00 177.39 180.85 2fn5 n VAL 69 N 0.54 -0.07 0.00 1.47 0.31 -1.25 -1.49 118.33 117.85 2fn5 n VAL 69 Ca 0.14 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 2fn5 n VAL 69 Cb 0.52 -2.53 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 2fn5 n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2fn5 n GLY 70 N 6.18 1.59 3.94 2.92 0.00 -1.26 -4.86 105.19 113.70 2fn5 n GLY 70 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.55 -5.01 120.40 110.07 2fn5 s VAL 71 Ca 0.00 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 2fn5 s VAL 71 Cb 0.00 -2.43 0.13 0.00 0.56 0.00 0.00 36.38 34.64 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 -2.63 2.05 0.29 5.32 -4.23 -1.26 -4.76 115.64 110.41 2fn5 s THR 72 Ca 0.48 -0.73 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 2fn5 s THR 72 Cb -0.04 -2.31 0.10 0.00 1.34 0.00 0.00 72.50 71.59 2fn5 s THR 72 CO 0.29 0.00 1.77 0.06 -0.54 0.00 0.00 174.62 176.20 2fn5 h GLN 73 N -0.37 0.58 0.00 3.99 -0.00 -1.93 -1.78 115.11 115.60 2fn5 h GLN 73 Ca -0.33 -0.18 -0.08 0.00 -0.00 0.00 0.00 58.65 58.06 2fn5 h GLN 73 Cb 1.27 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 28.68 2fn5 h GLN 73 CO 0.38 0.69 -0.39 -2.95 -0.00 0.00 0.00 178.83 176.57 2fn5 h ASN 74 N 0.53 0.00 0.04 0.06 7.08 -1.97 0.48 115.58 121.81 2fn5 h ASN 74 Ca 0.10 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.31 2fn5 h ASN 74 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 2fn5 h ASN 74 CO 0.03 0.39 -0.02 0.15 -2.08 0.00 0.00 177.43 175.90 2fn5 h PHE 75 N 0.00 -0.05 -0.62 4.14 3.04 -1.85 -3.18 116.94 118.42 2fn5 h PHE 75 Ca -0.00 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.96 2fn5 h PHE 75 Cb 0.81 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.30 2fn5 h PHE 75 CO 0.00 0.60 0.39 0.00 -2.02 0.00 0.00 178.31 177.28 2fn5 h ALA 76 N -0.01 0.79 0.00 2.41 0.00 -1.01 -1.04 119.26 120.40 2fn5 h ALA 76 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2fn5 h ALA 76 Cb 0.68 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2fn5 h ALA 76 CO 0.01 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2fn5 n ALA 77 N -2.28 1.37 -0.11 0.00 0.00 0.16 -0.81 120.51 118.83 2fn5 n ALA 77 Ca 0.05 -0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 2fn5 n ALA 77 Cb 0.06 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 2fn5 n ALA 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2fn5 n THR 78 N -1.60 1.55 0.13 0.00 -1.04 -0.49 -3.94 114.28 108.88 2fn5 n THR 78 Ca 0.02 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.05 61.71 2fn5 n THR 78 Cb 0.10 -1.96 -0.07 0.00 -1.82 0.00 0.00 70.33 66.57 2fn5 n THR 78 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2fn5 h VAL 79 N -0.91 0.78 0.00 12.58 2.07 -0.35 0.30 116.25 130.71 2fn5 h VAL 79 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2fn5 h VAL 79 Cb 1.45 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2fn5 h VAL 79 CO -0.25 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.52 2fn5 n LEU 80 N -5.22 0.00 -0.07 2.57 7.99 0.01 -1.45 117.00 120.83 2fn5 n LEU 80 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.82 2fn5 n LEU 80 Cb 0.14 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.39 2fn5 n LEU 80 CO 0.34 0.00 -0.93 -1.14 -1.51 0.00 0.00 177.39 174.14 2fn5 n ARG 81 N -0.83 0.32 0.00 3.23 0.63 -0.64 -4.24 116.66 115.14 2fn5 n ARG 81 Ca 0.07 0.08 0.15 0.00 -0.92 0.00 0.00 57.85 57.23 2fn5 n ARG 81 Cb 0.03 -1.24 0.78 0.00 0.45 0.00 0.00 32.46 32.48 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 -2.96 0.03 -4.74 6.15 5.03 0.95 -4.60 115.26 115.11 2fn5 n ASN 82 Ca -0.24 -0.29 -0.38 0.00 0.87 0.00 0.00 54.58 54.54 2fn5 n ASN 82 Cb 0.74 -0.23 0.05 0.00 -1.02 0.00 0.00 39.78 39.32 2fn5 n ASN 82 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2fn5 s THR 83 N -2.48 2.08 0.17 3.41 -4.23 -0.71 -5.05 115.64 108.82 2fn5 s THR 83 Ca 0.31 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.90 2fn5 s THR 83 Cb 0.21 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 71.04 2fn5 s THR 83 CO 0.45 -0.00 0.16 2.29 -0.54 0.00 0.00 174.62 176.97 2fn5 n LYS 84 N -1.33 1.14 0.00 3.99 -0.00 -1.26 -4.46 118.16 116.24 2fn5 n LYS 84 Ca 0.12 -0.99 0.00 0.00 -0.00 0.00 0.00 58.31 57.44 2fn5 n LYS 84 Cb 0.46 0.05 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 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 2.99 -3.17 3.55 2.58 0.00 -1.26 -4.01 105.19 105.87 2fn5 n GLY 85 Ca 0.01 0.63 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.94 6.36 -0.04 1.61 0.01 -1.24 0.53 114.94 119.23 2fn5 s ASN 86 Ca 0.00 -0.19 -0.02 0.00 -0.71 0.00 0.00 52.86 51.94 2fn5 s ASN 86 Cb 0.00 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 2fn5 s ASN 86 CO 0.00 -1.41 0.07 -0.69 -1.51 0.00 0.00 177.10 173.57 2fn5 s VAL 87 N 4.57 4.76 -0.54 1.60 1.01 0.84 -4.89 120.40 127.75 2fn5 s VAL 87 Ca 0.36 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 2fn5 s VAL 87 Cb -0.10 -3.12 0.14 0.00 0.00 0.00 0.00 36.38 33.29 2fn5 s VAL 87 CO 0.21 0.45 0.40 -0.13 0.00 0.00 0.00 175.10 176.03 2fn5 s ARG 88 N -1.44 2.60 -0.51 2.72 0.52 -1.25 -0.44 118.95 121.14 2fn5 s ARG 88 Ca 0.20 -1.98 -0.19 0.00 -0.52 0.00 0.00 55.73 53.24 2fn5 s ARG 88 Cb -0.12 -3.94 0.06 0.00 0.52 0.00 0.00 34.95 31.48 2fn5 s ARG 88 CO 0.10 -1.20 0.62 -0.06 0.02 0.00 0.00 175.30 174.78 2fn5 s PHE 89 N 0.98 3.06 -0.81 -0.53 0.08 0.23 -1.33 117.98 119.65 2fn5 s PHE 89 Ca 0.09 -0.62 -0.21 0.00 0.12 0.00 0.00 56.93 56.31 2fn5 s PHE 89 Cb -0.23 -3.58 0.09 0.00 -0.57 0.00 0.00 43.02 38.73 2fn5 s PHE 89 CO -0.02 -1.05 1.09 0.08 -0.10 0.00 0.00 175.22 175.22 2fn5 s VAL 90 N 2.57 4.44 0.17 -0.44 1.01 0.14 0.64 120.40 128.93 2fn5 s VAL 90 Ca 0.14 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.31 2fn5 s VAL 90 Cb -0.20 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.37 2fn5 s VAL 90 CO 0.11 -1.54 -0.10 -0.63 0.00 0.00 0.00 175.10 172.94 2fn5 s ILE 91 N 3.62 3.17 0.24 2.22 1.01 -0.33 -0.81 121.20 130.33 2fn5 s ILE 91 Ca 0.29 -1.62 0.11 0.00 0.00 0.00 0.00 60.65 59.43 2fn5 s ILE 91 Cb -0.10 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 2fn5 s ILE 91 CO -0.00 -0.08 -0.16 -0.83 0.00 0.00 0.00 174.94 173.87 2fn5 s GLY 92 N -2.73 1.78 -0.09 6.18 0.00 -1.25 -0.02 107.32 111.19 2fn5 s GLY 92 Ca 0.24 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.24 2fn5 s GLY 92 CO 0.15 -1.79 -0.09 -1.60 0.00 0.00 0.00 173.10 169.77 2fn5 s ARG 93 N -3.25 1.55 0.00 2.90 6.06 -0.11 -4.31 118.95 121.80 2fn5 s ARG 93 Ca 0.27 -0.30 0.31 0.00 -2.50 0.00 0.00 55.73 53.51 2fn5 s ARG 93 Cb -0.06 -1.50 1.64 0.00 0.06 0.00 0.00 34.95 35.09 2fn5 s ARG 93 CO 0.15 -0.16 2.08 -0.85 -2.50 0.00 0.00 175.30 174.01