#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npb n ALA 2 N 0.00 -0.31 -2.28 -5.12 0.00 -1.26 -4.92 120.51 106.61 2npb n ALA 2 Ca 0.00 -1.67 -0.21 0.00 0.00 0.00 0.00 53.44 51.56 2npb n ALA 2 Cb 0.00 1.34 -0.03 0.00 0.00 0.00 0.00 19.45 20.76 2npb n ALA 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2npb s LEU 3 N 0.00 3.42 -0.01 0.00 0.20 -1.17 -5.00 118.68 116.12 2npb s LEU 3 Ca 0.30 -0.71 0.03 0.00 0.69 0.00 0.00 54.13 54.44 2npb s LEU 3 Cb -0.01 -2.06 -0.01 0.00 -0.43 0.00 0.00 46.19 43.68 2npb s LEU 3 CO 0.22 -0.59 -0.10 0.00 -0.29 0.00 0.00 176.35 175.58 2npb s ALA 4 N -2.45 0.88 0.09 5.97 0.00 -1.26 -1.32 121.76 123.67 2npb s ALA 4 Ca 0.46 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.04 2npb s ALA 4 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2npb s ALA 4 CO 0.27 0.21 -0.16 0.08 0.00 0.00 0.00 175.76 176.16 2npb s VAL 5 N -0.21 1.32 0.12 0.00 1.01 -0.68 -1.61 120.40 120.35 2npb s VAL 5 Ca 0.03 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 60.66 2npb s VAL 5 Cb -0.04 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2npb s VAL 5 CO -0.00 -0.20 -0.17 -0.13 0.00 0.00 0.00 175.10 174.59 2npb s ARG 6 N -1.91 1.10 -0.31 2.72 3.00 0.09 -0.44 118.95 123.19 2npb s ARG 6 Ca 0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 55.73 54.51 2npb s ARG 6 Cb -0.09 -1.15 0.10 0.00 0.00 0.00 0.00 34.95 33.81 2npb s ARG 6 CO 0.03 0.24 0.11 0.08 0.00 0.00 0.00 175.30 175.77 2npb s VAL 7 N -1.73 0.65 0.30 3.52 1.01 -0.33 -1.09 120.40 122.73 2npb s VAL 7 Ca 0.09 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.48 2npb s VAL 7 Cb -0.07 -1.50 -0.10 0.00 0.00 0.00 0.00 36.38 34.70 2npb s VAL 7 CO 0.04 -0.70 1.37 -0.69 0.00 0.00 0.00 175.10 175.12 2npb s VAL 8 N 1.68 2.67 0.24 2.92 1.01 -0.88 -1.38 120.40 126.66 2npb s VAL 8 Ca 0.10 0.62 -0.02 0.00 0.00 0.00 0.00 61.98 62.68 2npb s VAL 8 Cb -0.17 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.82 2npb s VAL 8 CO -0.27 0.13 0.35 0.00 0.00 0.00 0.00 175.10 175.31 2npb n TYR 9 N 1.45 -1.22 -3.58 5.22 9.36 -1.21 -1.20 117.16 125.98 2npb n TYR 9 Ca 0.03 -1.52 -0.21 0.00 3.32 0.00 0.00 57.90 59.52 2npb n TYR 9 Cb 0.41 0.40 -0.01 0.00 -0.63 0.00 0.00 39.34 39.51 2npb n TYR 9 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2npb s SER 10 N -2.43 6.17 0.00 2.98 1.04 -1.26 -2.04 113.70 118.16 2npb s SER 10 Ca 0.18 0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.74 2npb s SER 10 Cb -0.01 -1.71 -0.00 0.00 0.10 0.00 0.00 66.02 64.39 2npb s SER 10 CO 0.13 -0.29 1.24 0.61 0.98 0.00 0.00 173.24 175.90 2npb n GLY 11 N -1.64 1.73 0.67 7.32 0.00 -0.19 -4.73 105.19 108.35 2npb n GLY 11 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2npb n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npb n ALA 12 N 1.69 1.49 -1.24 4.61 0.00 -1.26 -4.94 120.51 120.87 2npb n ALA 12 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2npb n ALA 12 Cb 0.31 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 2npb n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2npb n GLY 14 N -3.72 0.00 0.22 0.00 0.00 -1.26 -4.80 105.19 95.63 2npb n GLY 14 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2npb n GLY 14 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2npb h TYR 15 N 0.00 0.67 -0.58 1.61 -0.00 -1.94 -3.34 116.97 113.38 2npb h TYR 15 Ca 0.00 0.01 0.09 0.00 -0.00 0.00 0.00 58.73 58.83 2npb h TYR 15 Cb 0.00 -0.23 -0.11 0.00 -0.00 0.00 0.00 36.73 36.40 2npb h TYR 15 CO 0.00 0.43 -0.41 0.87 -0.00 0.00 0.00 178.16 179.05 2npb h LYS 16 N 0.72 -0.20 -0.66 0.10 1.57 -1.99 0.13 116.57 116.24 2npb h LYS 16 Ca 0.19 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2npb h LYS 16 Cb -0.07 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2npb h LYS 16 CO -0.04 -0.14 0.16 -1.00 -0.57 0.00 0.00 179.45 177.86 2npb h PRO 17 N -0.21 1.04 -0.17 3.15 0.13 -1.99 0.12 132.00 134.07 2npb h PRO 17 Ca 0.19 -0.24 -0.12 0.00 -0.87 0.00 0.00 66.00 64.97 2npb h PRO 17 Cb 0.56 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 2npb h PRO 17 CO -0.69 0.92 -0.41 -0.22 -0.23 0.00 0.00 178.00 177.37 2npb h LYS 18 N 0.99 0.38 0.43 0.86 3.11 -1.36 0.45 116.57 121.43 2npb h LYS 18 Ca 0.21 -0.19 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 2npb h LYS 18 Cb 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.57 2npb h LYS 18 CO 0.00 0.73 -0.40 1.88 -2.81 0.00 0.00 179.45 178.85 2npb h TYR 19 N 0.31 -1.09 -0.93 1.91 -1.99 -0.62 -2.95 116.97 111.61 2npb h TYR 19 Ca 0.03 0.01 0.13 0.00 2.00 0.00 0.00 58.73 60.89 2npb h TYR 19 Cb 0.86 0.42 -0.09 0.00 2.00 0.00 0.00 36.73 39.92 2npb h TYR 19 CO 0.02 -0.54 0.56 -0.07 -0.00 0.00 0.00 178.16 178.13 2npb h LEU 20 N -0.82 0.78 -1.71 3.88 3.38 -0.85 0.28 115.31 120.24 2npb h LEU 20 Ca -0.06 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2npb h LEU 20 Cb 0.70 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2npb h LEU 20 CO -0.03 0.39 -0.18 -0.61 0.09 0.00 0.00 178.44 178.10 2npb h GLN 21 N 0.85 0.00 0.14 1.13 -0.00 -0.86 0.41 115.11 116.78 2npb h GLN 21 Ca 0.48 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.91 2npb h GLN 21 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.04 2npb h GLN 21 CO -0.29 0.18 -0.99 1.25 0.00 0.00 0.00 178.83 178.98 2npb h LEU 22 N 0.00 0.46 0.66 -2.39 5.85 -1.25 -3.38 115.31 115.26 2npb h LEU 22 Ca -0.00 -0.93 -0.03 0.00 0.84 0.00 0.00 57.88 57.76 2npb h LEU 22 Cb 0.39 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.27 2npb h LEU 22 CO 0.02 1.46 -0.32 0.50 -0.34 0.00 0.00 178.44 179.76 2npb h LYS 23 N -0.34 -0.86 -0.96 1.25 3.11 0.32 -2.65 116.57 116.43 2npb h LYS 23 Ca -0.19 0.06 0.25 0.00 -2.81 0.00 0.00 60.65 57.96 2npb h LYS 23 Cb 1.69 0.20 -0.18 0.00 -1.00 0.00 0.00 32.23 32.94 2npb h LYS 23 CO 0.13 -0.57 -0.03 1.49 -2.81 0.00 0.00 179.45 177.66 2npb h GLU 24 N -0.90 0.02 -0.01 1.90 4.22 -0.50 -0.35 114.58 118.97 2npb h GLU 24 Ca -0.09 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.35 2npb h GLU 24 Cb 0.69 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2npb h GLU 24 CO 0.15 0.01 0.00 -0.22 -2.18 0.00 0.00 179.01 176.78 2npb h LYS 25 N 0.02 0.01 -0.04 1.92 1.63 -1.67 0.12 116.57 118.56 2npb h LYS 25 Ca 0.55 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.35 2npb h LYS 25 Cb 1.07 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2npb h LYS 25 CO -0.91 0.08 0.02 -0.07 -3.45 0.00 0.00 179.45 175.12 2npb h LEU 26 N -0.06 0.06 -1.15 5.20 4.07 -0.94 -2.06 115.31 120.43 2npb h LEU 26 Ca 0.00 -0.15 -0.06 0.00 0.08 0.00 0.00 57.88 57.76 2npb h LEU 26 Cb 0.07 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 2npb h LEU 26 CO -0.00 0.19 -0.05 -0.33 -1.08 0.00 0.00 178.44 177.17 2npb h GLU 27 N -0.07 0.53 -0.52 1.13 5.08 -1.14 -1.01 114.58 118.57 2npb h GLU 27 Ca 0.01 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2npb h GLU 27 Cb 0.15 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2npb h GLU 27 CO -0.00 0.60 0.14 1.25 -1.00 0.00 0.00 179.01 179.99 2npb h HIS 28 N 0.50 0.81 -0.28 4.33 2.76 -0.62 -0.30 115.15 122.34 2npb h HIS 28 Ca 0.10 -0.07 -0.17 0.00 -2.20 0.00 0.00 60.37 58.03 2npb h HIS 28 Cb 0.41 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 2npb h HIS 28 CO 0.01 0.67 -0.51 0.93 -1.30 0.00 0.00 177.93 177.74 2npb h GLU 29 N 0.76 0.80 -1.58 5.26 4.39 -1.15 -3.40 114.58 119.66 2npb h GLU 29 Ca 0.17 -0.48 -0.49 0.00 0.34 0.00 0.00 59.36 58.90 2npb h GLU 29 Cb 0.26 0.05 -0.41 0.00 -0.10 0.00 0.00 28.75 28.55 2npb h GLU 29 CO -0.00 1.11 -0.96 1.19 -1.16 0.00 0.00 179.01 179.18 2npb n PHE 30 N -4.01 2.13 -2.15 4.33 3.72 -0.40 -5.09 117.46 115.99 2npb n PHE 30 Ca -0.03 -3.31 -0.42 0.00 -0.05 0.00 0.00 57.45 53.63 2npb n PHE 30 Cb 0.60 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 2npb n PHE 30 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2npb s PRO 31 N -3.17 4.28 0.00 -1.08 0.04 -0.14 -2.53 135.00 132.40 2npb s PRO 31 Ca 0.40 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2npb s PRO 31 Cb 0.39 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2npb s PRO 31 CO -0.08 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2npb n GLY 32 N 3.66 0.14 0.30 0.56 0.00 -1.26 -4.65 105.19 103.94 2npb n GLY 32 Ca 0.13 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.35 2npb n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npb s LEU 34 N -5.90 1.27 0.13 0.00 1.02 -1.05 -3.01 118.68 111.14 2npb s LEU 34 Ca -0.03 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 53.62 2npb s LEU 34 Cb 0.11 1.13 -0.04 0.00 0.02 0.00 0.00 46.19 47.41 2npb s LEU 34 CO 0.41 -0.71 0.10 -0.62 0.02 0.00 0.00 176.35 175.55 2npb s ASP 35 N -2.70 5.45 -0.01 2.29 2.15 -0.44 -4.87 116.67 118.55 2npb s ASP 35 Ca 0.03 -0.11 0.01 0.00 0.43 0.00 0.00 52.55 52.92 2npb s ASP 35 Cb 0.03 -1.42 -0.00 0.00 -0.30 0.00 0.00 42.92 41.24 2npb s ASP 35 CO -0.10 0.11 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.34 2npb s ILE 36 N -1.60 0.39 0.26 4.11 1.09 -1.26 -1.69 121.20 122.51 2npb s ILE 36 Ca 0.30 -0.20 0.04 0.00 -1.10 0.00 0.00 60.65 59.69 2npb s ILE 36 Cb -0.11 -0.35 -0.01 0.00 -1.06 0.00 0.00 42.46 40.93 2npb s ILE 36 CO 0.22 0.12 0.28 0.00 -0.10 0.00 0.00 174.94 175.46 2npb s GLY 38 N -2.78 -0.33 -0.42 0.00 0.00 -1.26 -1.18 107.32 101.35 2npb s GLY 38 Ca 0.28 1.50 0.02 0.00 0.00 0.00 0.00 44.72 46.52 2npb s GLY 38 CO 0.20 0.44 0.21 -0.54 0.00 0.00 0.00 173.10 173.41 2npb s GLU 39 N -2.05 1.26 -1.23 2.90 8.01 -0.48 -4.86 118.70 122.25 2npb s GLU 39 Ca 0.13 -1.91 -0.18 0.00 0.01 0.00 0.00 54.97 53.02 2npb s GLU 39 Cb 0.03 -2.38 -0.01 0.00 -4.31 0.00 0.00 34.13 27.45 2npb s GLU 39 CO -0.04 -1.13 2.00 0.41 0.01 0.00 0.00 175.26 176.51 2npb n GLY 40 N 3.72 3.11 3.72 -1.39 0.00 -1.26 -3.31 105.19 109.78 2npb n GLY 40 Ca 0.07 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 2npb n GLY 40 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2npb n THR 41 N 5.97 4.83 0.50 2.61 5.66 -0.87 -3.63 114.28 129.36 2npb n THR 41 Ca 0.50 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 2npb n THR 41 Cb 0.42 -1.47 0.28 0.00 -1.55 0.00 0.00 70.33 68.01 2npb n THR 41 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2npb n PRO 42 N -1.80 0.10 -1.64 1.09 -0.04 -1.26 -1.02 135.00 130.43 2npb n PRO 42 Ca 0.16 0.22 -0.44 0.00 -0.04 0.00 0.00 63.50 63.40 2npb n PRO 42 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2npb n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2npb n GLN 43 N -1.37 2.39 0.00 0.54 6.02 -1.26 -4.79 117.38 118.91 2npb n GLN 43 Ca 0.05 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 2npb n GLN 43 Cb 0.11 -2.95 0.00 0.00 1.02 0.00 0.00 30.24 28.42 2npb n GLN 43 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2npb n VAL 44 N 6.08 1.13 -1.67 5.09 0.24 -1.26 -4.42 118.33 123.52 2npb n VAL 44 Ca 0.24 0.31 -0.16 0.00 -2.04 0.00 0.00 64.34 62.69 2npb n VAL 44 Cb 0.38 -1.31 -0.09 0.00 -1.47 0.00 0.00 33.84 31.35 2npb n VAL 44 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2npb s THR 45 N -2.53 3.10 -0.02 3.34 -4.23 -1.26 -4.86 115.64 109.18 2npb s THR 45 Ca 0.00 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.34 2npb s THR 45 Cb 0.00 -3.72 -0.14 0.00 1.34 0.00 0.00 72.50 69.98 2npb s THR 45 CO 0.00 -0.20 2.19 0.61 -0.54 0.00 0.00 174.62 176.68 2npb n GLY 46 N 6.40 2.11 3.42 3.99 0.00 -1.26 -4.09 105.19 115.75 2npb n GLY 46 Ca 0.43 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 45.35 2npb n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2npb s PHE 47 N 1.96 3.33 -0.78 1.61 0.08 -1.26 -4.77 117.98 118.15 2npb s PHE 47 Ca 0.36 -1.60 -0.25 0.00 0.12 0.00 0.00 56.93 55.56 2npb s PHE 47 Cb 0.17 -4.15 -0.06 0.00 -0.57 0.00 0.00 43.02 38.41 2npb s PHE 47 CO -0.00 -1.34 2.06 0.12 -0.10 0.00 0.00 175.22 175.97 2npb s PHE 48 N 1.89 1.57 -0.22 0.36 2.19 -1.24 -3.75 117.98 118.77 2npb s PHE 48 Ca 0.29 1.03 0.01 0.00 0.33 0.00 0.00 56.93 58.59 2npb s PHE 48 Cb -0.06 -3.89 0.05 0.00 -1.31 0.00 0.00 43.02 37.81 2npb s PHE 48 CO -0.09 -1.91 -0.09 -1.21 1.83 0.00 0.00 175.22 173.74 2npb s GLU 49 N 7.52 1.98 -0.22 10.12 2.02 -0.34 -0.92 118.70 138.86 2npb s GLU 49 Ca 0.77 -0.99 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 2npb s GLU 49 Cb -0.10 -2.57 -0.05 0.00 0.10 0.00 0.00 34.13 31.51 2npb s GLU 49 CO 0.08 -0.50 0.16 0.54 0.02 0.00 0.00 175.26 175.56 2npb s VAL 50 N 1.33 5.38 -0.05 2.63 0.11 -0.73 -2.08 120.40 126.99 2npb s VAL 50 Ca -0.04 0.22 -0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2npb s VAL 50 Cb -0.18 -3.50 0.03 0.00 -1.53 0.00 0.00 36.38 31.20 2npb s VAL 50 CO -0.07 0.39 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.19 2npb s THR 51 N 0.71 0.31 -0.35 5.04 2.01 -0.25 -0.83 115.64 122.28 2npb s THR 51 Ca 0.09 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 2npb s THR 51 Cb -0.12 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 71.99 2npb s THR 51 CO 0.01 0.21 0.15 0.54 -0.69 0.00 0.00 174.62 174.85 2npb s VAL 52 N 1.46 4.26 -0.95 3.82 0.11 -0.08 -0.73 120.40 128.29 2npb s VAL 52 Ca -0.03 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 2npb s VAL 52 Cb -0.13 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2npb s VAL 52 CO -0.03 -0.14 0.00 0.00 -3.33 0.00 0.00 175.10 171.60 2npb n ALA 53 N 4.92 -0.14 0.00 1.54 0.00 -0.63 -1.05 120.51 125.15 2npb n ALA 53 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2npb n ALA 53 Cb 0.46 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2npb n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npb n GLY 54 N -0.17 1.31 3.07 0.00 0.00 -1.26 -5.09 105.19 103.05 2npb n GLY 54 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2npb n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2npb s LYS 55 N -0.18 2.21 0.17 1.61 -0.14 -0.22 -5.11 119.74 118.08 2npb s LYS 55 Ca 0.00 -1.36 -0.31 0.00 -1.36 0.00 0.00 55.97 52.94 2npb s LYS 55 Cb 0.00 -2.89 -0.10 0.00 -1.68 0.00 0.00 37.83 33.16 2npb s LYS 55 CO 0.00 -0.58 1.51 -1.17 -0.76 0.00 0.00 175.35 174.35 2npb s LEU 56 N 1.10 4.37 -0.00 3.17 2.96 -1.26 -0.90 118.68 128.12 2npb s LEU 56 Ca -0.08 2.56 0.01 0.00 -0.22 0.00 0.00 54.13 56.39 2npb s LEU 56 Cb -0.20 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.87 2npb s LEU 56 CO -0.05 -0.77 0.03 0.52 -1.32 0.00 0.00 176.35 174.76 2npb n VAL 57 N 3.73 0.00 -3.60 1.68 0.31 -0.01 -4.96 118.33 115.48 2npb n VAL 57 Ca 0.12 -0.05 -0.16 0.00 -0.01 0.00 0.00 64.34 64.24 2npb n VAL 57 Cb 0.40 0.49 -0.07 0.00 -0.91 0.00 0.00 33.84 33.75 2npb n VAL 57 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2npb s HIS 58 N -2.06 -0.49 -0.30 3.52 5.65 -1.21 -4.93 115.29 115.47 2npb s HIS 58 Ca -0.00 0.79 -0.04 0.00 0.25 0.00 0.00 55.06 56.06 2npb s HIS 58 Cb 0.01 0.31 0.17 0.00 -1.18 0.00 0.00 32.58 31.89 2npb s HIS 58 CO 0.06 -0.55 0.63 0.45 -0.65 0.00 0.00 174.74 174.68 2npb s SER 59 N -1.34 -1.28 0.25 9.88 0.15 -1.26 -1.77 113.70 118.33 2npb s SER 59 Ca -0.11 1.08 -0.03 0.00 0.70 0.00 0.00 55.95 57.58 2npb s SER 59 Cb -0.02 2.19 0.44 0.00 -1.71 0.00 0.00 66.02 66.92 2npb s SER 59 CO 0.07 -0.24 1.78 0.11 1.20 0.00 0.00 173.24 176.16 2npb h LYS 60 N 7.99 0.66 0.00 5.44 1.79 -1.08 0.88 116.57 132.26 2npb h LYS 60 Ca -0.21 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.14 2npb h LYS 60 Cb 1.14 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 2npb h LYS 60 CO 0.20 0.44 -0.38 1.57 -1.08 0.00 0.00 179.45 180.20 2npb h LYS 61 N 0.68 0.00 0.00 3.15 5.09 -1.89 -2.71 116.57 120.89 2npb h LYS 61 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.15 2npb h LYS 61 Cb 0.48 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.81 2npb h LYS 61 CO -0.30 0.38 0.00 2.89 -2.09 0.00 0.00 179.45 180.33 2npb n ARG 62 N -3.36 0.20 -0.23 0.07 -4.01 -1.17 -4.92 116.66 103.23 2npb n ARG 62 Ca 0.01 0.27 0.00 0.00 -1.04 0.00 0.00 57.85 57.09 2npb n ARG 62 Cb 0.58 -1.78 0.00 0.00 -3.04 0.00 0.00 32.46 28.22 2npb n ARG 62 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2npb n GLY 63 N 0.78 1.42 0.08 2.89 0.00 -1.02 -5.02 105.19 104.31 2npb n GLY 63 Ca 0.04 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.05 2npb n GLY 63 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2npb n ASP 64 N 0.29 0.66 -0.06 1.61 2.03 0.29 -5.01 116.55 116.36 2npb n ASP 64 Ca 0.00 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.75 2npb n ASP 64 Cb 0.04 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 2npb n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2npb n GLY 65 N 1.35 -1.63 0.00 0.27 0.00 -1.25 -4.89 105.19 99.03 2npb n GLY 65 Ca 0.05 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2npb n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2npb n TYR 66 N -0.12 -2.97 -1.82 1.61 4.01 -1.26 -3.55 117.16 113.06 2npb n TYR 66 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 2npb n TYR 66 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 2npb n TYR 66 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2npb s VAL 67 N 0.41 3.25 0.00 -0.72 -7.23 -1.26 -4.72 120.40 110.13 2npb s VAL 67 Ca 0.00 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 2npb s VAL 67 Cb 0.00 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.52 2npb s VAL 67 CO 0.00 -0.32 0.03 0.47 -0.31 0.00 0.00 175.10 174.97 2npb n ASP 68 N 12.10 0.06 -3.76 4.85 8.00 -1.26 -5.02 116.55 131.52 2npb n ASP 68 Ca 0.27 -0.48 -0.10 0.00 0.71 0.00 0.00 54.79 55.20 2npb n ASP 68 Cb 0.49 0.81 -0.04 0.00 -0.02 0.00 0.00 41.12 42.36 2npb n ASP 68 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2npb s THR 69 N -0.81 0.03 0.12 -3.53 2.01 -1.26 -5.02 115.64 107.18 2npb s THR 69 Ca 0.00 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 60.90 2npb s THR 69 Cb 0.00 -1.61 -0.06 0.00 0.01 0.00 0.00 72.50 70.85 2npb s THR 69 CO 0.00 -0.13 1.62 -0.08 -0.69 0.00 0.00 174.62 175.35 2npb h GLU 70 N 2.22 -0.43 -0.95 4.92 4.22 -1.99 -1.44 114.58 121.14 2npb h GLU 70 Ca -0.29 0.03 0.14 0.00 0.08 0.00 0.00 59.36 59.32 2npb h GLU 70 Cb 1.26 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.53 2npb h GLU 70 CO 0.38 -0.28 0.60 1.03 -2.18 0.00 0.00 179.01 178.56 2npb h SER 71 N -0.44 0.76 -0.38 1.04 0.87 -1.98 0.18 113.55 113.60 2npb h SER 71 Ca 0.06 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 2npb h SER 71 Cb 0.52 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2npb h SER 71 CO -0.24 0.38 -0.20 0.50 -0.53 0.00 0.00 176.83 176.74 2npb h LYS 72 N 0.80 0.81 0.15 2.24 1.63 -1.78 -1.87 116.57 118.56 2npb h LYS 72 Ca 0.48 -0.36 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2npb h LYS 72 Cb 0.67 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 2npb h LYS 72 CO -0.25 0.99 -0.07 0.35 -3.45 0.00 0.00 179.45 177.02 2npb h PHE 73 N 0.61 -0.19 -0.60 1.91 3.57 -0.12 -3.26 116.94 118.86 2npb h PHE 73 Ca 0.08 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.65 2npb h PHE 73 Cb 0.76 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 2npb h PHE 73 CO 0.06 0.02 0.40 -0.09 -2.23 0.00 0.00 178.31 176.47 2npb h ARG 74 N -0.38 0.53 -0.28 1.11 2.43 -0.65 0.15 114.38 117.29 2npb h ARG 74 Ca -0.02 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2npb h ARG 74 Cb 0.30 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2npb h ARG 74 CO 0.03 0.35 0.11 -0.22 -1.51 0.00 0.00 179.97 178.73 2npb h LYS 75 N 0.54 0.39 0.05 0.20 1.63 -1.41 0.18 116.57 118.14 2npb h LYS 75 Ca 0.26 -0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.88 2npb h LYS 75 Cb 0.33 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2npb h LYS 75 CO -0.08 0.33 -0.69 1.25 -3.45 0.00 0.00 179.45 176.81 2npb h LEU 76 N 0.39 0.15 -0.52 5.20 5.85 -1.12 -3.25 115.31 122.01 2npb h LEU 76 Ca 0.10 -0.85 0.10 0.00 0.84 0.00 0.00 57.88 58.07 2npb h LEU 76 Cb 0.09 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 2npb h LEU 76 CO -0.01 1.30 0.01 0.58 -0.34 0.00 0.00 178.44 179.97 2npb h VAL 77 N -0.76 0.60 -0.07 1.05 2.07 -0.68 0.38 116.25 118.84 2npb h VAL 77 Ca -0.16 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2npb h VAL 77 Cb 1.32 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2npb h VAL 77 CO -0.01 0.02 -0.22 0.74 0.02 0.00 0.00 177.57 178.12 2npb h THR 78 N 0.12 1.19 0.00 2.57 2.02 -1.14 0.11 112.91 117.79 2npb h THR 78 Ca 0.26 -0.90 -0.17 0.00 0.77 0.00 0.00 66.41 66.37 2npb h THR 78 Cb 0.40 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 2npb h THR 78 CO -0.43 0.27 -0.83 0.00 0.37 0.00 0.00 175.52 174.90 2npb h ALA 79 N 1.67 0.48 0.01 6.16 0.00 -1.11 -2.15 119.26 124.31 2npb h ALA 79 Ca 0.02 -0.75 -0.20 0.00 0.00 0.00 0.00 54.91 53.98 2npb h ALA 79 Cb 0.45 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2npb h ALA 79 CO 0.03 1.02 -0.93 0.82 0.00 0.00 0.00 179.25 180.19 2npb h ILE 80 N 0.00 1.64 -0.56 0.00 1.08 -0.57 -1.06 117.51 118.04 2npb h ILE 80 Ca -0.01 -3.11 -0.05 0.00 -0.39 0.00 0.00 64.86 61.30 2npb h ILE 80 Cb 1.63 2.70 -0.02 0.00 -3.07 0.00 0.00 36.82 38.05 2npb h ILE 80 CO 0.10 0.89 0.16 0.50 -0.69 0.00 0.00 178.15 179.12 2npb h LYS 81 N 0.01 0.88 0.07 2.37 1.63 -0.76 0.14 116.57 120.91 2npb h LYS 81 Ca -0.02 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.58 2npb h LYS 81 Cb 1.63 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 2npb h LYS 81 CO 0.12 0.81 -0.04 0.00 -3.45 0.00 0.00 179.45 176.89 2npb h ALA 82 N 1.03 -0.10 -0.15 5.00 0.00 -1.42 -2.48 119.26 121.15 2npb h ALA 82 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2npb h ALA 82 Cb 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2npb h ALA 82 CO -0.00 -0.41 0.06 0.00 0.00 0.00 0.00 179.25 178.90 2npb h ALA 83 N 0.51 1.83 0.74 0.00 0.00 -0.98 -1.77 119.26 119.59 2npb h ALA 83 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2npb h ALA 83 Cb 0.34 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2npb h ALA 83 CO 0.02 0.14 -0.35 1.25 0.00 0.00 0.00 179.25 180.30 2npb h LEU 84 N 0.20 -0.84 -2.73 0.00 7.12 -0.72 -0.89 115.31 117.46 2npb h LEU 84 Ca 0.05 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.09 2npb h LEU 84 Cb 0.04 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2npb h LEU 84 CO -0.01 -0.54 0.00 0.00 -0.13 0.00 0.00 178.44 177.76 2npb h ALA 85 N -1.43 1.00 0.00 1.25 0.00 -1.13 0.25 119.26 119.20 2npb h ALA 85 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2npb h ALA 85 Cb 0.76 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2npb h ALA 85 CO 0.17 0.00 -0.11 0.37 0.00 0.00 0.00 179.25 179.68 2npb h GLN 86 N 0.00 0.00 0.00 0.00 4.15 -1.29 -3.34 115.11 114.63 2npb h GLN 86 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2npb h GLN 86 Cb 0.01 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 2npb h GLN 86 CO 0.00 0.85 -0.11 0.00 -1.93 0.00 0.00 178.83 177.64