#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npb s ALA 2 N 0.00 1.43 -0.35 -5.12 0.00 -1.26 -4.56 121.76 111.90 2npb s ALA 2 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 2npb s ALA 2 Cb 0.00 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.85 2npb s ALA 2 CO 0.00 -2.57 0.13 -1.17 0.00 0.00 0.00 175.76 172.15 2npb s LEU 3 N -6.43 4.49 -0.33 0.00 2.96 -0.34 -4.96 118.68 114.07 2npb s LEU 3 Ca 0.65 -1.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.00 2npb s LEU 3 Cb -0.21 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.62 2npb s LEU 3 CO 0.58 -0.37 1.24 0.00 -1.32 0.00 0.00 176.35 176.48 2npb s ALA 4 N 1.38 3.36 0.00 5.97 0.00 -1.26 -0.75 121.76 130.46 2npb s ALA 4 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.04 2npb s ALA 4 Cb -0.20 -3.77 -0.02 0.00 0.00 0.00 0.00 23.12 19.12 2npb s ALA 4 CO 0.02 -1.78 -0.25 0.08 0.00 0.00 0.00 175.76 173.83 2npb s VAL 5 N 4.27 1.98 0.25 0.00 1.01 0.01 -0.59 120.40 127.33 2npb s VAL 5 Ca 0.53 -1.16 0.11 0.00 0.00 0.00 0.00 61.98 61.47 2npb s VAL 5 Cb -0.15 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2npb s VAL 5 CO 0.23 0.48 -0.20 -0.60 0.00 0.00 0.00 175.10 175.01 2npb s ARG 6 N -0.80 1.57 -0.33 2.72 6.06 -0.36 -0.87 118.95 126.94 2npb s ARG 6 Ca 0.10 -1.68 -0.01 0.00 -2.50 0.00 0.00 55.73 51.64 2npb s ARG 6 Cb -0.10 -1.66 0.12 0.00 0.06 0.00 0.00 34.95 33.37 2npb s ARG 6 CO 0.00 0.32 0.17 0.08 -2.50 0.00 0.00 175.30 173.37 2npb s VAL 7 N -2.39 0.20 -0.10 7.11 1.01 -0.79 -1.58 120.40 123.86 2npb s VAL 7 Ca 0.26 -1.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 2npb s VAL 7 Cb -0.05 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2npb s VAL 7 CO 0.12 -0.86 0.81 0.54 0.00 0.00 0.00 175.10 175.72 2npb s VAL 8 N 1.46 4.94 0.02 2.92 0.11 -0.57 -0.37 120.40 128.91 2npb s VAL 8 Ca 0.14 1.65 -0.20 0.00 -2.93 0.00 0.00 61.98 60.64 2npb s VAL 8 Cb -0.20 -4.14 0.04 0.00 -1.53 0.00 0.00 36.38 30.55 2npb s VAL 8 CO -0.16 0.13 0.46 -0.47 -3.33 0.00 0.00 175.10 171.73 2npb s TYR 9 N 1.45 -0.34 -1.00 1.54 5.04 -0.40 -0.85 117.35 122.79 2npb s TYR 9 Ca 0.41 0.41 -0.24 0.00 -2.44 0.00 0.00 57.07 55.20 2npb s TYR 9 Cb -0.18 0.25 -0.09 0.00 0.35 0.00 0.00 41.96 42.30 2npb s TYR 9 CO 0.17 -0.57 2.02 -1.54 -1.34 0.00 0.00 175.55 174.30 2npb s SER 10 N -1.79 4.77 0.00 4.32 1.04 -1.21 -2.05 113.70 118.79 2npb s SER 10 Ca -0.07 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.40 2npb s SER 10 Cb -0.01 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 2npb s SER 10 CO 0.00 -3.20 1.53 0.61 0.98 0.00 0.00 173.24 173.16 2npb n GLY 11 N 6.44 1.72 2.47 7.32 0.00 -1.08 -4.81 105.19 117.25 2npb n GLY 11 Ca 0.43 -0.34 -0.14 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 2.37 4.14 -1.31 4.61 0.00 -1.26 -4.89 120.51 124.18 2npb n ALA 12 Ca 0.12 -1.46 0.15 0.00 0.00 0.00 0.00 53.44 52.25 2npb n ALA 12 Cb 0.35 -2.67 -0.04 0.00 0.00 0.00 0.00 19.45 17.09 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 -3.20 0.66 0.28 0.00 0.00 -1.26 -4.76 105.19 96.91 2npb n GLY 14 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.68 -0.86 1.61 -0.00 -1.91 -3.35 116.97 111.79 2npb h TYR 15 Ca 0.00 0.02 0.13 0.00 -0.00 0.00 0.00 58.73 58.88 2npb h TYR 15 Cb 0.00 0.29 -0.14 0.00 -0.00 0.00 0.00 36.73 36.88 2npb h TYR 15 CO 0.00 -0.35 -0.39 0.87 -0.00 0.00 0.00 178.16 178.28 2npb h LYS 16 N -0.44 -0.06 -0.41 0.10 1.57 -1.97 0.28 116.57 115.64 2npb h LYS 16 Ca 0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 2npb h LYS 16 Cb 0.48 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2npb h LYS 16 CO -0.17 -0.04 -0.27 -1.00 -0.57 0.00 0.00 179.45 177.40 2npb h PRO 17 N -0.06 0.87 -0.19 3.15 0.13 -1.99 -0.33 132.00 133.57 2npb h PRO 17 Ca 0.29 -0.39 -0.10 0.00 -0.87 0.00 0.00 66.00 64.93 2npb h PRO 17 Cb 0.57 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2npb h PRO 17 CO -0.88 1.03 -0.31 -0.22 -0.23 0.00 0.00 178.00 177.39 2npb h LYS 18 N 0.74 0.39 0.45 0.86 3.64 -1.21 0.27 116.57 121.71 2npb h LYS 18 Ca 0.09 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2npb h LYS 18 Cb 0.82 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2npb h LYS 18 CO 0.07 0.67 -0.28 1.88 -2.27 0.00 0.00 179.45 179.51 2npb h TYR 19 N 0.34 -0.75 -0.86 1.91 -1.99 -0.47 -2.67 116.97 112.48 2npb h TYR 19 Ca 0.04 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.80 2npb h TYR 19 Cb 0.72 0.27 -0.05 0.00 2.00 0.00 0.00 36.73 39.67 2npb h TYR 19 CO 0.02 -0.43 0.56 -0.07 -0.00 0.00 0.00 178.16 178.23 2npb h LEU 20 N -0.70 0.93 0.09 3.88 3.38 -0.88 0.55 115.31 122.56 2npb h LEU 20 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2npb h LEU 20 Cb 0.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2npb h LEU 20 CO 0.05 0.65 -0.07 -0.61 0.09 0.00 0.00 178.44 178.54 2npb h GLN 21 N 1.09 -0.17 -0.51 1.13 -0.00 -0.89 0.47 115.11 116.23 2npb h GLN 21 Ca 0.34 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.00 2npb h GLN 21 Cb -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.47 2npb h GLN 21 CO -0.11 -0.11 0.33 1.25 0.00 0.00 0.00 178.83 180.20 2npb h LEU 22 N -0.17 0.60 0.69 -2.39 5.85 -1.38 -3.04 115.31 115.46 2npb h LEU 22 Ca 0.00 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2npb h LEU 22 Cb 0.16 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.05 2npb h LEU 22 CO -0.02 0.45 -0.33 0.11 -0.34 0.00 0.00 178.44 178.31 2npb h LYS 23 N 0.70 -0.89 -0.97 1.25 1.57 -0.45 -3.09 116.57 114.68 2npb h LYS 23 Ca 0.19 0.06 0.27 0.00 -1.87 0.00 0.00 60.65 59.30 2npb h LYS 23 Cb -0.06 0.20 -0.18 0.00 0.08 0.00 0.00 32.23 32.27 2npb h LYS 23 CO -0.04 -0.57 0.08 1.49 -0.57 0.00 0.00 179.45 179.83 2npb h GLU 24 N -1.19 0.02 -0.35 3.15 4.22 -0.16 0.53 114.58 120.81 2npb h GLU 24 Ca -0.09 -0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.25 2npb h GLU 24 Cb 0.73 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2npb h GLU 24 CO 0.16 0.02 -0.17 -0.22 -2.18 0.00 0.00 179.01 176.61 2npb h LYS 25 N 0.03 0.64 0.00 1.92 1.63 -1.55 0.12 116.57 119.36 2npb h LYS 25 Ca 0.61 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 60.18 2npb h LYS 25 Cb 1.27 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2npb h LYS 25 CO -0.88 0.78 -0.00 -0.07 -3.45 0.00 0.00 179.45 175.82 2npb h LEU 26 N 0.58 -0.00 -1.75 5.20 -0.00 -0.98 -2.66 115.31 115.69 2npb h LEU 26 Ca 0.09 -0.76 0.00 0.00 -0.00 0.00 0.00 57.88 57.21 2npb h LEU 26 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2npb h LEU 26 CO 0.04 0.76 0.16 -0.33 -0.00 0.00 0.00 178.44 179.07 2npb h GLU 27 N -0.77 0.32 -0.36 1.13 5.08 -1.02 -0.45 114.58 118.51 2npb h GLU 27 Ca -0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2npb h GLU 27 Cb 0.76 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2npb h GLU 27 CO 0.00 0.22 0.16 1.25 -1.00 0.00 0.00 179.01 179.64 2npb h HIS 28 N 0.33 0.29 -0.24 4.33 -0.00 -0.83 -1.90 115.15 117.12 2npb h HIS 28 Ca 0.09 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.36 2npb h HIS 28 Cb -0.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 2npb h HIS 28 CO 0.00 0.14 -0.35 1.49 -0.00 0.00 0.00 177.93 179.21 2npb h GLU 29 N 0.33 0.53 -1.05 5.26 4.57 -0.92 -3.37 114.58 119.92 2npb h GLU 29 Ca 0.16 -0.24 -0.40 0.00 -1.18 0.00 0.00 59.36 57.70 2npb h GLU 29 Cb 0.10 -0.01 -0.40 0.00 -0.16 0.00 0.00 28.75 28.27 2npb h GLU 29 CO -0.13 0.80 -1.09 1.19 -1.18 0.00 0.00 179.01 178.60 2npb n PHE 30 N -4.06 1.63 -1.80 0.92 3.72 -0.27 -5.10 117.46 112.51 2npb n PHE 30 Ca -0.01 -2.79 -0.42 0.00 -0.05 0.00 0.00 57.45 54.17 2npb n PHE 30 Cb 0.48 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 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 -3.26 4.16 0.00 -1.08 0.04 -0.72 -2.05 135.00 132.09 2npb s PRO 31 Ca 0.32 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.84 2npb s PRO 31 Cb 0.44 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2npb s PRO 31 CO -0.01 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2npb n GLY 32 N 4.18 0.24 0.09 0.56 0.00 -1.26 -4.66 105.19 104.34 2npb n GLY 32 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.04 2.50 -0.02 0.00 1.02 -0.94 -1.19 118.68 116.01 2npb s LEU 34 Ca 0.05 -0.95 0.08 0.00 0.02 0.00 0.00 54.13 53.33 2npb s LEU 34 Cb 0.09 -0.78 -0.02 0.00 0.02 0.00 0.00 46.19 45.50 2npb s LEU 34 CO 0.35 -0.09 -0.25 -0.62 0.02 0.00 0.00 176.35 175.76 2npb s ASP 35 N -3.03 2.96 -0.10 2.29 2.15 0.07 -4.82 116.67 116.19 2npb s ASP 35 Ca 0.20 -0.46 -0.03 0.00 0.43 0.00 0.00 52.55 52.69 2npb s ASP 35 Cb -0.03 -0.37 0.04 0.00 -0.30 0.00 0.00 42.92 42.26 2npb s ASP 35 CO 0.07 0.30 0.07 -0.63 -0.17 0.00 0.00 175.17 174.82 2npb s ILE 36 N -0.55 -0.05 0.46 4.11 1.01 -1.26 -0.81 121.20 124.11 2npb s ILE 36 Ca 0.09 0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.93 2npb s ILE 36 Cb -0.10 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.98 2npb s ILE 36 CO -0.01 -0.02 0.38 0.00 0.00 0.00 0.00 174.94 175.29 2npb s GLY 38 N -4.17 1.58 -0.51 0.00 0.00 -1.26 -1.88 107.32 101.08 2npb s GLY 38 Ca 0.44 -1.76 0.04 0.00 0.00 0.00 0.00 44.72 43.44 2npb s GLY 38 CO 0.26 -1.77 0.39 -2.21 0.00 0.00 0.00 173.10 169.77 2npb n GLU 39 N -0.46 0.72 -0.26 2.90 2.13 0.50 -4.80 120.64 121.37 2npb n GLU 39 Ca -0.07 -3.60 0.00 0.00 0.66 0.00 0.00 57.16 54.15 2npb n GLU 39 Cb 0.62 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.46 2npb n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2npb n GLY 40 N 2.54 2.09 3.78 8.31 0.00 -1.25 -1.28 105.19 119.38 2npb n GLY 40 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 2npb n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2npb s THR 41 N 0.16 3.36 -2.00 2.61 -4.23 -0.87 -2.65 115.64 112.02 2npb s THR 41 Ca 0.00 0.86 0.13 0.00 -1.18 0.00 0.00 61.69 61.50 2npb s THR 41 Cb 0.00 -3.36 0.37 0.00 1.34 0.00 0.00 72.50 70.86 2npb s THR 41 CO 0.00 -0.17 1.28 -0.81 -0.54 0.00 0.00 174.62 174.38 2npb n PRO 42 N -1.12 0.68 -0.25 3.99 -0.04 -1.26 -3.46 135.00 133.54 2npb n PRO 42 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 2npb n PRO 42 Cb 0.51 -1.30 0.18 0.00 -0.04 0.00 0.00 33.50 32.85 2npb n PRO 42 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2npb h GLN 43 N 0.00 1.07 -2.56 0.54 1.08 -1.92 -3.39 115.11 109.92 2npb h GLN 43 Ca 0.00 -0.11 -0.43 0.00 -1.45 0.00 0.00 58.65 56.66 2npb h GLN 43 Cb 0.00 -0.22 -0.37 0.00 -0.05 0.00 0.00 27.48 26.84 2npb h GLN 43 CO 0.00 0.77 -0.71 0.08 -0.95 0.00 0.00 178.83 178.02 2npb s VAL 44 N -5.74 -0.22 -0.81 -0.54 1.01 -1.26 -5.10 120.40 107.74 2npb s VAL 44 Ca -0.11 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 2npb s VAL 44 Cb 0.17 -0.91 -0.18 0.00 0.00 0.00 0.00 36.38 35.47 2npb s VAL 44 CO 0.80 -0.53 2.51 0.41 0.00 0.00 0.00 175.10 178.29 2npb n THR 45 N 5.28 -0.03 0.00 3.92 -1.04 -1.26 -1.91 114.28 119.25 2npb n THR 45 Ca -0.05 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 2npb n THR 45 Cb 0.45 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 2npb n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2npb n GLY 46 N 6.24 0.64 3.66 3.41 0.00 -1.26 -5.06 105.19 112.82 2npb n GLY 46 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 2npb n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2npb s PHE 47 N -2.00 2.44 -0.31 1.61 2.19 -0.80 -4.50 117.98 116.60 2npb s PHE 47 Ca 0.00 0.63 -0.02 0.00 0.33 0.00 0.00 56.93 57.88 2npb s PHE 47 Cb 0.00 -3.70 0.12 0.00 -1.31 0.00 0.00 43.02 38.13 2npb s PHE 47 CO 0.00 -2.69 0.21 0.12 1.83 0.00 0.00 175.22 174.69 2npb s PHE 48 N 3.79 0.20 -0.08 10.12 2.19 -1.25 -3.28 117.98 129.67 2npb s PHE 48 Ca 0.63 -0.92 0.02 0.00 0.33 0.00 0.00 56.93 56.99 2npb s PHE 48 Cb -0.27 -0.76 0.01 0.00 -1.31 0.00 0.00 43.02 40.69 2npb s PHE 48 CO 0.22 -0.86 -0.12 -1.21 1.83 0.00 0.00 175.22 175.08 2npb s GLU 49 N 1.83 1.72 -0.21 10.12 0.41 -0.03 -2.12 118.70 130.42 2npb s GLU 49 Ca 0.12 -0.40 -0.09 0.00 -0.41 0.00 0.00 54.97 54.19 2npb s GLU 49 Cb -0.17 -1.48 -0.04 0.00 -1.78 0.00 0.00 34.13 30.66 2npb s GLU 49 CO -0.23 -0.02 0.11 0.08 -0.49 0.00 0.00 175.26 174.70 2npb s VAL 50 N 0.85 5.06 -0.08 2.63 1.01 -0.74 -1.51 120.40 127.62 2npb s VAL 50 Ca -0.11 0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2npb s VAL 50 Cb -0.15 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2npb s VAL 50 CO 0.01 0.42 -0.13 -0.89 0.00 0.00 0.00 175.10 174.51 2npb s THR 51 N 0.63 1.26 -0.13 3.92 2.01 -0.62 -0.83 115.64 121.88 2npb s THR 51 Ca 0.06 -0.53 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 2npb s THR 51 Cb -0.12 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 2npb s THR 51 CO 0.01 0.39 -0.14 0.54 -0.69 0.00 0.00 174.62 174.73 2npb s VAL 52 N 0.79 2.97 -0.29 3.82 0.11 -0.08 -1.23 120.40 126.49 2npb s VAL 52 Ca -0.12 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2npb s VAL 52 Cb -0.16 -2.25 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 2npb s VAL 52 CO 0.02 0.52 0.00 0.00 -3.33 0.00 0.00 175.10 172.31 2npb n ALA 53 N 3.62 -0.93 -0.64 1.54 0.00 0.24 -0.27 120.51 124.07 2npb n ALA 53 Ca -0.18 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2npb n ALA 53 Cb 0.53 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.58 0.64 3.01 0.00 0.00 -1.26 -5.08 105.19 101.92 2npb n GLY 54 Ca -0.04 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.30 2.22 0.20 1.61 -0.14 0.63 -5.12 119.74 117.84 2npb s LYS 55 Ca 0.00 -0.62 -0.31 0.00 -1.36 0.00 0.00 55.97 53.68 2npb s LYS 55 Cb 0.00 -2.17 -0.10 0.00 -1.68 0.00 0.00 37.83 33.88 2npb s LYS 55 CO 0.00 -0.28 1.55 -1.17 -0.76 0.00 0.00 175.35 174.69 2npb s LEU 56 N 1.47 4.37 -0.01 3.17 0.20 -1.26 -0.90 118.68 125.72 2npb s LEU 56 Ca 0.04 2.69 0.03 0.00 0.69 0.00 0.00 54.13 57.57 2npb s LEU 56 Cb -0.14 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 41.98 2npb s LEU 56 CO -0.10 -0.81 0.05 0.52 -0.29 0.00 0.00 176.35 175.72 2npb n VAL 57 N 3.33 0.04 -3.81 1.68 0.31 -0.01 -4.95 118.33 114.94 2npb n VAL 57 Ca 0.11 -0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.25 2npb n VAL 57 Cb 0.39 0.13 -0.10 0.00 -0.91 0.00 0.00 33.84 33.34 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 -2.17 -0.16 -0.27 3.52 5.65 -1.19 -4.98 115.29 115.70 2npb s HIS 58 Ca -0.01 0.34 -0.01 0.00 0.25 0.00 0.00 55.06 55.63 2npb s HIS 58 Cb 0.02 0.05 0.15 0.00 -1.18 0.00 0.00 32.58 31.62 2npb s HIS 58 CO 0.11 -0.23 0.44 0.45 -0.65 0.00 0.00 174.74 174.86 2npb s SER 59 N -0.63 -0.15 0.41 9.88 0.15 -1.26 -1.79 113.70 120.31 2npb s SER 59 Ca -0.07 0.23 0.14 0.00 0.70 0.00 0.00 55.95 56.94 2npb s SER 59 Cb -0.04 1.37 0.88 0.00 -1.71 0.00 0.00 66.02 66.51 2npb s SER 59 CO 0.02 -0.30 1.91 0.11 1.20 0.00 0.00 173.24 176.18 2npb h LYS 60 N 8.13 0.00 -0.67 5.44 1.79 -1.74 -0.59 116.57 128.92 2npb h LYS 60 Ca -0.17 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.27 2npb h LYS 60 Cb 1.15 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.77 2npb h LYS 60 CO 0.26 0.27 0.31 -0.22 -1.08 0.00 0.00 179.45 178.99 2npb h LYS 61 N 0.00 0.96 0.00 3.15 3.11 -1.82 -2.33 116.57 119.65 2npb h LYS 61 Ca -0.00 -0.13 -0.17 0.00 -2.81 0.00 0.00 60.65 57.54 2npb h LYS 61 Cb 0.48 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 2npb h LYS 61 CO 0.04 0.75 -0.79 0.07 -2.81 0.00 0.00 179.45 176.70 2npb h ARG 62 N 0.96 0.00 0.00 1.90 0.11 -1.96 -3.48 114.38 111.90 2npb h ARG 62 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 2npb h ARG 62 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 2npb h ARG 62 CO -0.03 0.79 0.00 0.41 0.10 0.00 0.00 179.97 181.25 2npb n GLY 63 N 0.90 1.63 0.26 0.08 0.00 -0.88 -5.02 105.19 102.15 2npb n GLY 63 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2npb n GLY 63 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2npb h ASP 64 N 0.00 0.14 -3.83 1.61 3.58 -1.35 -3.49 116.42 113.08 2npb h ASP 64 Ca 0.00 -0.01 0.13 0.00 0.42 0.00 0.00 57.03 57.57 2npb h ASP 64 Cb 0.00 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 40.94 2npb h ASP 64 CO 0.00 0.19 -0.73 0.61 -2.88 0.00 0.00 179.24 176.43 2npb n GLY 65 N -1.27 -3.30 0.13 -0.78 0.00 -1.26 -5.00 105.19 93.71 2npb n GLY 65 Ca -0.01 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.98 -2.28 -1.69 1.61 4.01 -1.26 -4.79 117.16 109.79 2npb n TYR 66 Ca -0.04 -0.03 -0.17 0.00 -0.16 0.00 0.00 57.90 57.50 2npb n TYR 66 Cb 0.38 -0.05 -0.07 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.05 3.12 -0.27 -0.72 -7.23 -1.26 -4.47 120.40 108.51 2npb s VAL 67 Ca 0.03 -0.10 0.17 0.00 -1.81 0.00 0.00 61.98 60.27 2npb s VAL 67 Cb -0.00 -3.31 -0.25 0.00 0.56 0.00 0.00 36.38 33.38 2npb s VAL 67 CO 0.02 -0.24 0.49 0.47 -0.31 0.00 0.00 175.10 175.53 2npb n ASP 68 N 17.65 0.92 -3.81 4.85 8.00 -1.26 -5.02 116.55 137.89 2npb n ASP 68 Ca 0.45 -0.29 -0.10 0.00 0.71 0.00 0.00 54.79 55.56 2npb n ASP 68 Cb 0.44 1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 43.02 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 -3.03 0.11 0.14 -3.53 2.01 -1.26 -5.03 115.64 105.06 2npb s THR 69 Ca -0.02 -0.92 -0.27 0.00 0.31 0.00 0.00 61.69 60.79 2npb s THR 69 Cb 0.12 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 2npb s THR 69 CO 0.72 -0.51 1.58 -0.08 -0.69 0.00 0.00 174.62 175.65 2npb h GLU 70 N 3.05 -0.38 0.00 4.92 4.22 -1.98 -0.74 114.58 123.67 2npb h GLU 70 Ca -0.33 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.11 2npb h GLU 70 Cb 1.20 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 2npb h GLU 70 CO 0.50 -0.25 -0.14 1.03 -2.18 0.00 0.00 179.01 177.97 2npb h SER 71 N -0.39 0.00 0.55 1.04 0.87 -1.99 -1.95 113.55 111.68 2npb h SER 71 Ca 0.11 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 2npb h SER 71 Cb 0.59 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2npb h SER 71 CO -0.49 0.14 -0.63 0.50 -0.53 0.00 0.00 176.83 175.82 2npb h LYS 72 N 0.00 0.08 0.01 2.24 1.63 -1.52 -2.79 116.57 116.22 2npb h LYS 72 Ca -0.00 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2npb h LYS 72 Cb 0.33 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2npb h LYS 72 CO 0.02 0.68 -0.01 0.35 -3.45 0.00 0.00 179.45 177.04 2npb h PHE 73 N 0.06 -0.01 -0.55 1.91 3.57 -0.78 -3.34 116.94 117.79 2npb h PHE 73 Ca -0.01 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.62 2npb h PHE 73 Cb 1.12 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 2npb h PHE 73 CO 0.01 0.41 0.38 -0.09 -2.23 0.00 0.00 178.31 176.78 2npb h ARG 74 N -0.44 0.17 -0.80 1.11 2.43 -1.31 -0.49 114.38 115.05 2npb h ARG 74 Ca -0.00 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2npb h ARG 74 Cb 0.43 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 2npb h ARG 74 CO 0.00 0.11 0.47 1.57 -1.51 0.00 0.00 179.97 180.61 2npb h LYS 75 N 0.18 0.79 0.21 0.20 2.10 -1.62 -0.33 116.57 118.10 2npb h LYS 75 Ca 0.26 -0.05 -0.33 0.00 -2.00 0.00 0.00 60.65 58.53 2npb h LYS 75 Cb 0.79 -0.18 0.02 0.00 -0.90 0.00 0.00 32.23 31.96 2npb h LYS 75 CO -0.04 0.53 -1.55 1.25 -2.00 0.00 0.00 179.45 177.63 2npb h LEU 76 N 0.82 0.71 -0.47 7.07 6.46 -1.29 -2.43 115.31 126.17 2npb h LEU 76 Ca 0.37 -0.93 0.07 0.00 -0.12 0.00 0.00 57.88 57.27 2npb h LEU 76 Cb 0.28 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 39.92 2npb h LEU 76 CO -0.22 1.72 0.14 0.58 -0.62 0.00 0.00 178.44 180.05 2npb h VAL 77 N 0.07 0.80 -0.68 1.05 2.07 -1.30 -0.03 116.25 118.23 2npb h VAL 77 Ca -0.29 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2npb h VAL 77 Cb 2.08 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 2npb h VAL 77 CO 0.22 0.05 0.24 0.74 0.02 0.00 0.00 177.57 178.84 2npb h THR 78 N 0.30 1.25 0.01 2.57 2.02 -1.05 -0.02 112.91 117.99 2npb h THR 78 Ca 0.23 -0.83 -0.19 0.00 0.77 0.00 0.00 66.41 66.39 2npb h THR 78 Cb 0.26 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2npb h THR 78 CO -0.26 0.32 -0.89 0.00 0.37 0.00 0.00 175.52 175.07 2npb h ALA 79 N 1.10 0.52 0.00 6.16 0.00 -0.97 -2.45 119.26 123.63 2npb h ALA 79 Ca 0.22 -0.75 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 2npb h ALA 79 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2npb h ALA 79 CO -0.01 0.98 -0.98 0.82 0.00 0.00 0.00 179.25 180.06 2npb h ILE 80 N 0.06 1.70 -0.28 0.00 1.08 -0.92 -0.91 117.51 118.24 2npb h ILE 80 Ca -0.03 -3.33 -0.02 0.00 -0.39 0.00 0.00 64.86 61.08 2npb h ILE 80 Cb 1.54 2.81 -0.01 0.00 -3.07 0.00 0.00 36.82 38.08 2npb h ILE 80 CO 0.13 0.95 0.09 0.50 -0.69 0.00 0.00 178.15 179.13 2npb h LYS 81 N 0.00 0.44 0.21 2.37 1.63 -0.88 0.91 116.57 121.27 2npb h LYS 81 Ca -0.01 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 2npb h LYS 81 Cb 1.73 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.30 2npb h LYS 81 CO 0.13 0.50 -0.10 0.00 -3.45 0.00 0.00 179.45 176.53 2npb h ALA 82 N 0.92 -0.29 -0.40 5.00 0.00 -1.47 -2.56 119.26 120.46 2npb h ALA 82 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2npb h ALA 82 Cb 0.25 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2npb h ALA 82 CO -0.00 -0.57 0.26 0.00 0.00 0.00 0.00 179.25 178.93 2npb h ALA 83 N 0.28 1.71 0.52 0.00 0.00 -1.04 -1.74 119.26 118.99 2npb h ALA 83 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2npb h ALA 83 Cb 0.35 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2npb h ALA 83 CO 0.05 0.27 -0.25 1.25 0.00 0.00 0.00 179.25 180.57 2npb h LEU 84 N 0.54 -0.59 -2.46 0.00 7.12 -0.77 -0.92 115.31 118.23 2npb h LEU 84 Ca 0.14 -0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.10 2npb h LEU 84 Cb -0.06 0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2npb h LEU 84 CO -0.03 -0.30 -0.02 0.00 -0.13 0.00 0.00 178.44 177.96 2npb h ALA 85 N -0.48 1.42 0.09 1.25 0.00 -1.08 0.84 119.26 121.29 2npb h ALA 85 Ca -0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2npb h ALA 85 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2npb h ALA 85 CO 0.12 0.02 -0.04 1.96 0.00 0.00 0.00 179.25 181.31 2npb h GLN 86 N 0.00 -0.11 0.00 0.00 4.20 -1.21 -3.31 115.11 114.68 2npb h GLN 86 Ca -0.00 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2npb h GLN 86 Cb 0.05 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 2npb h GLN 86 CO 0.00 0.42 -0.06 0.00 -0.67 0.00 0.00 178.83 178.53