#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hnb s ALA 2 N 0.00 2.00 0.00 3.04 0.00 -1.26 -4.76 121.76 120.78 2hnb s ALA 2 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2hnb s ALA 2 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2hnb s ALA 2 CO 0.00 -2.04 0.00 -3.47 0.00 0.00 0.00 175.76 170.25 2hnb n ASP 3 N -3.04 1.37 -3.68 0.00 2.03 -0.51 -4.89 116.55 107.83 2hnb n ASP 3 Ca 0.13 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.16 2hnb n ASP 3 Cb 0.51 0.18 -0.11 0.00 -0.72 0.00 0.00 41.12 40.97 2hnb n ASP 3 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hnb s ILE 4 N -1.05 1.73 -0.43 5.18 1.01 -0.37 -4.18 121.20 123.09 2hnb s ILE 4 Ca 0.00 -3.44 -0.29 0.00 0.00 0.00 0.00 60.65 56.92 2hnb s ILE 4 Cb 0.00 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.33 2hnb s ILE 4 CO 0.00 -1.08 1.27 -0.89 0.00 0.00 0.00 174.94 174.24 2hnb s THR 5 N -0.65 4.08 0.61 2.92 2.01 -1.21 -3.62 115.64 119.78 2hnb s THR 5 Ca 0.27 1.11 -0.15 0.00 0.31 0.00 0.00 61.69 63.24 2hnb s THR 5 Cb -0.04 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 2hnb s THR 5 CO -0.16 -0.84 1.05 -0.76 -0.69 0.00 0.00 174.62 173.23 2hnb s LEU 6 N 4.86 3.42 -0.31 4.42 1.02 0.92 -3.03 118.68 129.97 2hnb s LEU 6 Ca 0.54 1.75 0.01 0.00 0.02 0.00 0.00 54.13 56.46 2hnb s LEU 6 Cb -0.11 -4.52 0.10 0.00 0.02 0.00 0.00 46.19 41.68 2hnb s LEU 6 CO 0.31 -1.19 0.07 -0.63 0.02 0.00 0.00 176.35 174.93 2hnb s ILE 7 N -2.60 1.35 0.72 -0.59 1.01 -0.01 -0.91 121.20 120.16 2hnb s ILE 7 Ca 0.62 -1.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.47 2hnb s ILE 7 Cb -0.15 -1.99 0.03 0.00 0.01 0.00 0.00 42.46 40.36 2hnb s ILE 7 CO 0.41 -0.62 1.09 -0.44 0.00 0.00 0.00 174.94 175.38 2hnb s SER 8 N 1.38 4.87 -0.41 3.58 0.01 0.06 -0.88 113.70 122.31 2hnb s SER 8 Ca 0.09 1.85 0.05 0.00 1.31 0.00 0.00 55.95 59.26 2hnb s SER 8 Cb -0.18 -2.53 0.32 0.00 0.21 0.00 0.00 66.02 63.84 2hnb s SER 8 CO -0.19 -1.79 1.23 0.61 0.41 0.00 0.00 173.24 173.52 2hnb n GLY 9 N -1.07 -0.14 3.44 3.44 0.00 -0.75 -2.40 105.19 107.70 2hnb n GLY 9 Ca 0.09 0.31 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 2hnb n GLY 9 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hnb s SER 10 N -0.86 2.31 0.01 1.61 1.04 -1.26 -0.99 113.70 115.56 2hnb s SER 10 Ca 0.21 -1.36 -0.21 0.00 0.48 0.00 0.00 55.95 55.07 2hnb s SER 10 Cb 0.29 -0.07 -0.19 0.00 0.10 0.00 0.00 66.02 66.15 2hnb s SER 10 CO -0.10 -0.60 1.21 0.71 0.98 0.00 0.00 173.24 175.44 2hnb h THR 11 N 2.15 1.41 0.00 2.02 1.35 -2.00 -3.43 112.91 114.40 2hnb h THR 11 Ca -0.41 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 2hnb h THR 11 Cb 1.24 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 2hnb h THR 11 CO 0.69 0.49 0.00 0.00 -0.25 0.00 0.00 175.52 176.45 2hnb n LEU 12 N -4.42 0.00 -3.63 3.87 -0.00 -1.26 -4.99 117.00 106.57 2hnb n LEU 12 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.90 2hnb n LEU 12 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.88 2hnb n LEU 12 CO 0.42 0.00 1.11 -0.83 -0.00 0.00 0.00 177.39 178.09 2hnb s GLY 13 N -0.76 -0.09 0.00 1.47 0.00 -1.26 -5.00 107.32 101.69 2hnb s GLY 13 Ca 0.00 2.29 0.00 0.00 0.00 0.00 0.00 44.72 47.01 2hnb s GLY 13 CO 0.00 0.86 0.00 0.61 0.00 0.00 0.00 173.10 174.57 2hnb n GLY 14 N 0.27 1.45 0.23 0.20 0.00 -1.26 -4.79 105.19 101.29 2hnb n GLY 14 Ca 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.63 2hnb n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb h ALA 15 N 0.00 1.43 -0.33 4.61 0.00 -1.92 -1.69 119.26 121.37 2hnb h ALA 15 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2hnb h ALA 15 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2hnb h ALA 15 CO 0.00 0.40 -0.13 0.93 0.00 0.00 0.00 179.25 180.44 2hnb h GLU 16 N 0.22 0.57 -0.08 0.00 5.08 -1.90 0.11 114.58 118.59 2hnb h GLU 16 Ca 0.04 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2hnb h GLU 16 Cb 0.45 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2hnb h GLU 16 CO 0.03 0.69 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.69 2hnb h TYR 17 N 0.52 0.28 -0.92 4.33 3.20 -1.75 -1.56 116.97 121.08 2hnb h TYR 17 Ca 0.09 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.89 2hnb h TYR 17 Cb 0.54 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 2hnb h TYR 17 CO 0.02 0.70 0.60 0.28 -1.64 0.00 0.00 178.16 178.13 2hnb h VAL 18 N -0.22 1.21 -0.16 1.81 2.07 -1.20 -0.33 116.25 119.43 2hnb h VAL 18 Ca 0.01 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2hnb h VAL 18 Cb 0.67 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2hnb h VAL 18 CO 0.03 0.22 0.09 0.00 0.02 0.00 0.00 177.57 177.93 2hnb h ALA 19 N 1.35 0.20 -0.56 1.67 0.00 -0.70 0.29 119.26 121.51 2hnb h ALA 19 Ca 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2hnb h ALA 19 Cb -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2hnb h ALA 19 CO -0.09 -0.27 0.24 1.49 0.00 0.00 0.00 179.25 180.62 2hnb h GLU 20 N 0.17 0.83 -0.43 0.00 4.81 -0.92 -0.07 114.58 118.97 2hnb h GLU 20 Ca 0.06 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 2hnb h GLU 20 Cb 0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2hnb h GLU 20 CO -0.01 0.71 -0.05 1.25 -0.73 0.00 0.00 179.01 180.18 2hnb h HIS 21 N 0.77 0.87 -0.56 0.92 2.76 -0.84 -0.75 115.15 118.30 2hnb h HIS 21 Ca 0.19 -0.17 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 2hnb h HIS 21 Cb 0.17 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 2hnb h HIS 21 CO 0.00 0.87 0.05 -0.07 -1.30 0.00 0.00 177.93 177.48 2hnb h LEU 22 N 0.61 0.93 -0.88 0.26 3.38 -0.85 -2.78 115.31 115.99 2hnb h LEU 22 Ca 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2hnb h LEU 22 Cb 0.56 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2hnb h LEU 22 CO 0.03 0.98 0.56 0.00 0.09 0.00 0.00 178.44 180.11 2hnb h ALA 23 N 0.98 1.12 -0.31 1.53 0.00 -0.76 -0.92 119.26 120.91 2hnb h ALA 23 Ca 0.17 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2hnb h ALA 23 Cb 0.48 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2hnb h ALA 23 CO 0.02 0.55 0.04 1.49 0.00 0.00 0.00 179.25 181.35 2hnb h GLU 24 N 1.20 0.13 -0.43 0.00 4.81 -0.94 0.14 114.58 119.50 2hnb h GLU 24 Ca 0.32 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.44 2hnb h GLU 24 Cb -0.10 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2hnb h GLU 24 CO -0.07 0.09 -0.16 0.87 -0.73 0.00 0.00 179.01 179.01 2hnb h LYS 25 N 0.14 0.81 -0.82 1.92 6.56 -1.17 -1.19 116.57 122.81 2hnb h LYS 25 Ca 0.15 -0.30 -0.04 0.00 -1.06 0.00 0.00 60.65 59.40 2hnb h LYS 25 Cb 0.17 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.74 2hnb h LYS 25 CO -0.21 0.92 0.37 -0.07 -2.06 0.00 0.00 179.45 178.39 2hnb h LEU 26 N 0.72 1.09 -0.79 2.94 3.38 -0.74 -0.53 115.31 121.38 2hnb h LEU 26 Ca 0.11 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2hnb h LEU 26 Cb 0.67 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2hnb h LEU 26 CO 0.05 0.94 -0.15 -0.33 0.09 0.00 0.00 178.44 179.03 2hnb h GLU 27 N 1.18 0.75 -0.47 1.13 5.08 -0.51 0.18 114.58 121.92 2hnb h GLU 27 Ca 0.28 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2hnb h GLU 27 Cb 0.16 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2hnb h GLU 27 CO -0.03 0.86 -0.05 0.93 -1.00 0.00 0.00 179.01 179.72 2hnb h GLU 28 N 0.67 0.81 0.00 2.33 5.08 -0.91 -2.20 114.58 120.37 2hnb h GLU 28 Ca 0.11 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2hnb h GLU 28 Cb 0.63 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2hnb h GLU 28 CO 0.04 0.85 -0.24 0.00 -1.00 0.00 0.00 179.01 178.67 2hnb h ALA 29 N 1.20 1.20 0.00 3.43 0.00 -0.66 -3.47 119.26 120.95 2hnb h ALA 29 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2hnb h ALA 29 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2hnb h ALA 29 CO 0.03 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2hnb n GLY 30 N -0.31 1.08 3.77 0.00 0.00 -0.09 -5.09 105.19 104.56 2hnb n GLY 30 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2hnb n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hnb s PHE 31 N -1.91 3.74 0.29 1.61 0.08 -0.35 -4.93 117.98 116.50 2hnb s PHE 31 Ca 0.00 1.81 -0.23 0.00 0.12 0.00 0.00 56.93 58.62 2hnb s PHE 31 Cb 0.00 -2.94 -0.09 0.00 -0.57 0.00 0.00 43.02 39.42 2hnb s PHE 31 CO 0.00 0.23 0.86 0.95 -0.10 0.00 0.00 175.22 177.16 2hnb s THR 32 N -1.53 4.35 0.25 0.64 -4.23 -1.26 -3.62 115.64 110.24 2hnb s THR 32 Ca 0.49 1.61 0.01 0.00 -1.18 0.00 0.00 61.69 62.61 2hnb s THR 32 Cb -0.20 -3.94 -0.05 0.00 1.34 0.00 0.00 72.50 69.65 2hnb s THR 32 CO 0.25 0.16 0.11 0.42 -0.54 0.00 0.00 174.62 175.03 2hnb s THR 33 N -1.59 0.39 0.15 3.99 -4.23 -1.26 -1.23 115.64 111.85 2hnb s THR 33 Ca 0.48 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.83 2hnb s THR 33 Cb -0.18 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.10 2hnb s THR 33 CO 0.22 0.00 0.41 -0.70 -0.54 0.00 0.00 174.62 174.01 2hnb s GLU 34 N -4.03 1.15 -0.46 3.99 2.56 -1.24 -4.63 118.70 116.03 2hnb s GLU 34 Ca 0.38 -0.81 0.06 0.00 0.00 0.00 0.00 54.97 54.59 2hnb s GLU 34 Cb 0.07 0.47 0.20 0.00 2.00 0.00 0.00 34.13 36.87 2hnb s GLU 34 CO 0.14 -0.46 0.46 0.25 -0.56 0.00 0.00 175.26 175.10 2hnb n THR 35 N -0.25 -0.32 -1.95 -1.70 -2.24 -1.25 -0.05 114.28 106.52 2hnb n THR 35 Ca -0.13 -3.99 -0.43 0.00 -2.27 0.00 0.00 64.05 57.23 2hnb n THR 35 Cb 0.63 -1.87 -0.03 0.00 -2.10 0.00 0.00 70.33 66.97 2hnb n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2hnb s LEU 36 N -0.81 3.99 -0.83 3.22 1.43 -0.09 -4.66 118.68 120.92 2hnb s LEU 36 Ca 0.33 1.93 -0.25 0.00 -1.03 0.00 0.00 54.13 55.11 2hnb s LEU 36 Cb 0.08 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.79 2hnb s LEU 36 CO -0.15 -1.27 1.52 -1.00 0.23 0.00 0.00 176.35 175.68 2hnb s HIS 37 N 5.35 2.19 -1.02 0.29 3.76 -1.26 -0.76 115.29 123.84 2hnb s HIS 37 Ca 0.79 -0.07 -0.12 0.00 -0.15 0.00 0.00 55.06 55.51 2hnb s HIS 37 Cb -0.30 -4.48 -0.02 0.00 1.11 0.00 0.00 32.58 28.88 2hnb s HIS 37 CO 0.32 -2.02 0.79 0.41 -0.85 0.00 0.00 174.74 173.39 2hnb n GLY 38 N 6.13 -1.11 3.58 -2.22 0.00 -1.01 -4.99 105.19 105.57 2hnb n GLY 38 Ca 0.21 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.44 2hnb n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hnb s PRO 39 N -4.97 -1.10 0.29 1.61 0.04 -1.26 -4.69 135.00 124.92 2hnb s PRO 39 Ca 0.35 0.06 0.09 0.00 0.04 0.00 0.00 61.00 61.54 2hnb s PRO 39 Cb -0.10 -1.60 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 2hnb s PRO 39 CO 0.82 -3.66 -0.12 -0.51 0.04 0.00 0.00 177.00 173.57 2hnb s LEU 40 N -6.95 2.59 0.37 -3.56 1.43 -1.26 -4.48 118.68 106.83 2hnb s LEU 40 Ca 0.70 -1.12 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2hnb s LEU 40 Cb -0.12 -0.87 0.80 0.00 0.03 0.00 0.00 46.19 46.03 2hnb s LEU 40 CO 0.57 -0.17 1.95 0.25 0.23 0.00 0.00 176.35 179.18 2hnb h LEU 41 N 2.25 0.61 0.00 1.79 6.46 -1.90 -0.79 115.31 123.73 2hnb h LEU 41 Ca -0.40 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2hnb h LEU 41 Cb 1.24 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 2hnb h LEU 41 CO 0.65 0.39 0.00 -1.84 -0.62 0.00 0.00 178.44 177.02 2hnb n GLU 42 N -4.49 0.20 -0.19 1.25 0.28 -1.26 -2.03 120.64 114.40 2hnb n GLU 42 Ca 0.11 0.12 0.03 0.00 -0.16 0.00 0.00 57.16 57.26 2hnb n GLU 42 Cb 0.27 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.69 2hnb n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2hnb n ASP 43 N -1.18 1.06 -3.68 -1.84 2.03 -0.31 -5.01 116.55 107.63 2hnb n ASP 43 Ca 0.06 -2.16 -0.28 0.00 0.52 0.00 0.00 54.79 52.92 2hnb n ASP 43 Cb 0.06 -0.20 -0.16 0.00 -0.72 0.00 0.00 41.12 40.10 2hnb n ASP 43 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2hnb s LEU 44 N -1.06 1.22 0.64 -2.67 1.98 -0.86 -4.88 118.68 113.05 2hnb s LEU 44 Ca 0.10 -1.13 -0.16 0.00 -2.89 0.00 0.00 54.13 50.05 2hnb s LEU 44 Cb 0.09 -0.57 -0.01 0.00 0.66 0.00 0.00 46.19 46.36 2hnb s LEU 44 CO 0.01 -0.37 1.13 -2.16 -1.89 0.00 0.00 176.35 173.07 2hnb s PRO 45 N 1.88 2.85 -0.04 0.98 0.04 -1.26 -4.88 135.00 134.56 2hnb s PRO 45 Ca 0.05 1.50 0.04 0.00 0.04 0.00 0.00 61.00 62.62 2hnb s PRO 45 Cb -0.17 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.60 2hnb s PRO 45 CO -0.19 -1.23 0.88 0.00 0.04 0.00 0.00 177.00 176.50 2hnb n ALA 46 N -2.18 2.72 -3.65 8.56 0.00 -1.26 -4.72 120.51 119.98 2hnb n ALA 46 Ca 0.11 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.05 2hnb n ALA 46 Cb 0.51 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.85 2hnb n ALA 46 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hnb s SER 47 N -0.41 -0.67 0.00 0.00 0.01 -1.26 -3.33 113.70 108.04 2hnb s SER 47 Ca 0.12 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.51 2hnb s SER 47 Cb 0.09 1.02 0.00 0.00 0.21 0.00 0.00 66.02 67.33 2hnb s SER 47 CO 0.05 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2hnb n GLY 48 N 4.12 -0.03 2.97 3.44 0.00 -1.20 -4.92 105.19 109.58 2hnb n GLY 48 Ca -0.21 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 2hnb n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hnb s ILE 49 N -1.95 2.00 0.45 -0.61 1.01 -1.26 -1.11 121.20 119.72 2hnb s ILE 49 Ca 0.00 -2.06 0.07 0.00 0.00 0.00 0.00 60.65 58.67 2hnb s ILE 49 Cb 0.00 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 40.06 2hnb s ILE 49 CO 0.00 -0.52 0.61 0.26 0.00 0.00 0.00 174.94 175.29 2hnb s TRP 50 N 1.07 2.70 -0.28 3.97 0.23 0.08 -3.34 118.94 123.36 2hnb s TRP 50 Ca 0.08 -0.39 -0.00 0.00 -2.03 0.00 0.00 56.10 53.76 2hnb s TRP 50 Cb -0.19 -2.41 0.14 0.00 0.03 0.00 0.00 33.47 31.04 2hnb s TRP 50 CO -0.10 -0.53 0.33 -1.17 0.96 0.00 0.00 176.95 176.43 2hnb s LEU 51 N -4.42 -0.41 0.10 2.99 2.96 -1.17 -2.18 118.68 116.56 2hnb s LEU 51 Ca 0.56 -0.56 -0.25 0.00 -0.22 0.00 0.00 54.13 53.66 2hnb s LEU 51 Cb -0.10 0.70 -0.07 0.00 0.50 0.00 0.00 46.19 47.23 2hnb s LEU 51 CO 0.34 -0.37 0.75 -0.69 -1.32 0.00 0.00 176.35 175.06 2hnb s VAL 52 N 2.42 4.56 -0.13 1.68 1.01 -0.04 -0.83 120.40 129.06 2hnb s VAL 52 Ca 0.10 1.63 -0.02 0.00 0.00 0.00 0.00 61.98 63.69 2hnb s VAL 52 Cb -0.14 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.18 2hnb s VAL 52 CO -0.30 0.45 -0.00 -0.63 0.00 0.00 0.00 175.10 174.62 2hnb s ILE 53 N -0.65 0.59 -0.07 2.22 1.01 -0.06 -1.05 121.20 123.19 2hnb s ILE 53 Ca 0.36 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2hnb s ILE 53 Cb -0.22 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.41 2hnb s ILE 53 CO 0.24 0.09 -0.09 -0.44 0.00 0.00 0.00 174.94 174.74 2hnb s SER 54 N 1.86 1.64 0.79 3.58 0.01 -0.51 -1.82 113.70 119.26 2hnb s SER 54 Ca 0.02 -0.25 -0.12 0.00 1.31 0.00 0.00 55.95 56.92 2hnb s SER 54 Cb -0.14 -0.72 0.06 0.00 0.21 0.00 0.00 66.02 65.43 2hnb s SER 54 CO -0.07 -0.02 1.11 -0.44 0.41 0.00 0.00 173.24 174.23 2hnb s SER 55 N 0.96 4.64 -0.31 2.44 0.01 -0.16 -1.40 113.70 119.89 2hnb s SER 55 Ca -0.09 1.17 -0.02 0.00 1.31 0.00 0.00 55.95 58.31 2hnb s SER 55 Cb -0.15 -1.88 0.10 0.00 0.21 0.00 0.00 66.02 64.31 2hnb s SER 55 CO 0.00 -1.86 0.13 -0.89 0.41 0.00 0.00 173.24 171.03 2hnb s THR 56 N -3.27 0.37 0.32 1.44 2.01 0.16 -4.13 115.64 112.54 2hnb s THR 56 Ca 0.60 -1.14 0.04 0.00 0.31 0.00 0.00 61.69 61.51 2hnb s THR 56 Cb -0.13 -1.30 0.11 0.00 0.01 0.00 0.00 72.50 71.19 2hnb s THR 56 CO 0.53 -0.73 1.81 -0.74 -0.69 0.00 0.00 174.62 174.79 2hnb h HIS 57 N 8.14 0.48 0.00 4.92 2.76 -1.49 -3.43 115.15 126.54 2hnb h HIS 57 Ca -0.15 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2hnb h HIS 57 Cb 1.01 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.84 2hnb h HIS 57 CO 0.33 0.58 0.00 0.41 -1.30 0.00 0.00 177.93 177.96 2hnb n GLY 58 N -0.63 3.47 2.91 5.26 0.00 -1.26 -5.00 105.19 109.94 2hnb n GLY 58 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 2hnb n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb n ALA 59 N -1.11 -0.97 -0.42 4.61 0.00 -1.26 -1.18 120.51 120.19 2hnb n ALA 59 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2hnb n ALA 59 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2hnb n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hnb n GLY 60 N -0.83 0.75 3.56 0.00 0.00 -1.26 -5.00 105.19 102.41 2hnb n GLY 60 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2hnb n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hnb s ASP 61 N -2.47 5.78 0.41 1.61 2.15 -0.32 -4.90 116.67 118.92 2hnb s ASP 61 Ca 0.00 -0.81 -0.26 0.00 0.43 0.00 0.00 52.55 51.91 2hnb s ASP 61 Cb 0.00 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.97 2hnb s ASP 61 CO 0.00 -2.13 1.32 -0.63 -0.17 0.00 0.00 175.17 173.55 2hnb s ILE 62 N 7.55 2.55 0.56 4.11 1.01 -1.26 -1.26 121.20 134.46 2hnb s ILE 62 Ca 0.57 0.49 -0.20 0.00 0.00 0.00 0.00 60.65 61.51 2hnb s ILE 62 Cb -0.05 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 2hnb s ILE 62 CO 0.00 0.07 1.25 -2.16 0.00 0.00 0.00 174.94 174.10 2hnb s PRO 63 N -2.27 3.15 0.53 2.79 0.04 -1.26 -4.58 135.00 133.40 2hnb s PRO 63 Ca 0.57 1.95 0.32 0.00 0.04 0.00 0.00 61.00 63.89 2hnb s PRO 63 Cb -0.39 -2.11 1.75 0.00 0.04 0.00 0.00 34.50 33.78 2hnb s PRO 63 CO 0.50 -1.10 1.97 0.22 0.04 0.00 0.00 177.00 178.63 2hnb h ASP 64 N 1.26 0.00 -0.65 6.66 3.58 -1.94 0.05 116.42 125.39 2hnb h ASP 64 Ca -0.50 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.93 2hnb h ASP 64 Cb 1.29 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.31 2hnb h ASP 64 CO 0.57 0.00 0.33 -1.13 -2.88 0.00 0.00 179.24 176.13 2hnb h ASN 65 N 0.00 0.83 0.00 2.28 -1.24 -1.90 -3.38 115.58 112.17 2hnb h ASN 65 Ca 0.00 -0.12 -0.03 0.00 0.71 0.00 0.00 56.30 56.87 2hnb h ASN 65 Cb 0.19 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 2hnb h ASN 65 CO 0.00 0.71 -1.15 -0.11 -1.29 0.00 0.00 177.43 175.60 2hnb n LEU 66 N -4.50 0.00 -0.01 0.34 7.94 -0.34 -4.34 117.00 116.09 2hnb n LEU 66 Ca 0.05 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.10 2hnb n LEU 66 Cb 0.11 0.04 0.60 0.00 0.53 0.00 0.00 43.42 44.70 2hnb n LEU 66 CO 0.38 0.04 1.17 0.77 -1.11 0.00 0.00 177.39 178.64 2hnb h SER 67 N 0.00 0.17 -0.35 1.96 4.64 -1.23 -0.79 113.55 117.95 2hnb h SER 67 Ca -0.04 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.39 2hnb h SER 67 Cb 0.74 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2hnb h SER 67 CO 0.00 0.10 0.42 -0.65 -0.87 0.00 0.00 176.83 175.83 2hnb h PRO 68 N 0.18 0.00 -0.78 4.77 0.11 -1.85 -1.86 132.00 132.57 2hnb h PRO 68 Ca 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 2hnb h PRO 68 Cb 0.70 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.78 2hnb h PRO 68 CO -0.04 0.00 0.45 0.35 -0.21 0.00 0.00 178.00 178.55 2hnb h PHE 69 N 0.00 1.05 -0.79 0.65 3.57 -1.36 -0.08 116.94 119.98 2hnb h PHE 69 Ca 0.16 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2hnb h PHE 69 Cb 1.00 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 2hnb h PHE 69 CO 0.00 0.71 0.40 -0.92 -2.23 0.00 0.00 178.31 176.27 2hnb h TYR 70 N 1.09 1.12 -0.10 0.41 3.20 -1.52 -0.86 116.97 120.30 2hnb h TYR 70 Ca 0.28 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 2hnb h TYR 70 Cb -0.01 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 37.91 2hnb h TYR 70 CO 0.01 0.80 -0.16 0.93 -1.64 0.00 0.00 178.16 178.10 2hnb h GLU 71 N 1.11 0.29 -0.09 1.82 5.08 -1.48 -2.60 114.58 118.71 2hnb h GLU 71 Ca 0.27 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2hnb h GLU 71 Cb 0.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2hnb h GLU 71 CO -0.04 0.75 -0.24 0.00 -1.00 0.00 0.00 179.01 178.48 2hnb h ALA 72 N 0.54 1.44 0.79 3.43 0.00 -0.89 -0.01 119.26 124.56 2hnb h ALA 72 Ca 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2hnb h ALA 72 Cb 0.72 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2hnb h ALA 72 CO 0.04 0.40 -0.38 -0.07 0.00 0.00 0.00 179.25 179.23 2hnb h LEU 73 N 0.14 -0.90 -1.40 0.00 3.38 -1.17 -3.14 115.31 112.21 2hnb h LEU 73 Ca 0.02 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2hnb h LEU 73 Cb 0.50 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2hnb h LEU 73 CO 0.03 -0.53 -0.26 0.06 0.09 0.00 0.00 178.44 177.83 2hnb h GLN 74 N -1.29 0.00 -0.23 1.13 3.07 -1.17 0.18 115.11 116.80 2hnb h GLN 74 Ca -0.11 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.55 2hnb h GLN 74 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.36 2hnb h GLN 74 CO 0.18 0.26 -0.22 1.49 0.09 0.00 0.00 178.83 180.63 2hnb h GLU 75 N 0.00 0.41 0.00 0.06 4.81 -1.09 -3.36 114.58 115.41 2hnb h GLU 75 Ca -0.00 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 58.94 2hnb h GLU 75 Cb 0.61 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 2hnb h GLU 75 CO 0.03 0.61 -1.57 1.04 -0.73 0.00 0.00 179.01 178.40 2hnb n GLN 76 N -4.15 2.54 -3.87 1.92 6.02 -0.87 -5.04 117.38 113.92 2hnb n GLN 76 Ca -0.00 -0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.72 2hnb n GLN 76 Cb 0.37 -1.21 -0.00 0.00 1.02 0.00 0.00 30.24 30.42 2hnb n GLN 76 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2hnb n LYS 77 N -2.33 -0.63 -1.27 -1.09 4.81 0.57 -4.93 118.16 113.29 2hnb n LYS 77 Ca -0.14 -0.14 -0.29 0.00 -0.87 0.00 0.00 58.31 56.88 2hnb n LYS 77 Cb 0.77 -1.26 0.17 0.00 0.02 0.00 0.00 35.03 34.73 2hnb n LYS 77 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2hnb s PRO 78 N -6.31 0.41 -0.58 1.64 0.04 -1.26 -4.91 135.00 124.03 2hnb s PRO 78 Ca 0.24 0.37 -0.27 0.00 0.04 0.00 0.00 61.00 61.37 2hnb s PRO 78 Cb -0.13 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2hnb s PRO 78 CO 0.58 -2.71 1.59 0.34 0.04 0.00 0.00 177.00 176.83 2hnb s ASP 79 N -3.67 5.82 -0.20 6.66 2.15 -1.26 -4.66 116.67 121.51 2hnb s ASP 79 Ca 0.66 0.32 0.15 0.00 0.43 0.00 0.00 52.55 54.10 2hnb s ASP 79 Cb -0.17 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.37 2hnb s ASP 79 CO 0.56 -1.95 1.35 0.18 -0.17 0.00 0.00 175.17 175.15 2hnb n LEU 80 N 10.67 3.49 -0.49 -1.34 4.77 -0.17 -4.86 117.00 129.07 2hnb n LEU 80 Ca 0.15 -3.29 0.00 0.00 -0.03 0.00 0.00 56.01 52.84 2hnb n LEU 80 Cb 0.50 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2hnb n LEU 80 CO 0.71 0.88 0.03 -1.20 -1.33 0.00 0.00 177.39 176.48 2hnb n SER 81 N -0.94 0.13 0.00 -1.43 7.64 -1.24 -1.45 113.62 116.33 2hnb n SER 81 Ca 0.23 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2hnb n SER 81 Cb 0.85 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 2hnb n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hnb n ALA 82 N 0.42 0.26 -2.01 -0.43 0.00 -1.25 -4.84 120.51 112.65 2hnb n ALA 82 Ca 0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 2hnb n ALA 82 Cb 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 2hnb n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hnb s VAL 83 N 0.00 4.06 0.05 0.00 1.01 -0.52 -3.23 120.40 121.76 2hnb s VAL 83 Ca 0.00 1.86 0.09 0.00 0.00 0.00 0.00 61.98 63.92 2hnb s VAL 83 Cb 0.00 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2hnb s VAL 83 CO 0.00 0.36 -0.25 -0.13 0.00 0.00 0.00 175.10 175.08 2hnb s ARG 84 N -0.59 1.66 0.22 2.72 1.81 -0.27 -2.36 118.95 122.14 2hnb s ARG 84 Ca 0.46 -1.07 -0.09 0.00 -1.72 0.00 0.00 55.73 53.31 2hnb s ARG 84 Cb -0.27 -1.84 -0.01 0.00 -0.45 0.00 0.00 34.95 32.38 2hnb s ARG 84 CO 0.33 0.47 0.36 -0.59 -0.68 0.00 0.00 175.30 175.19 2hnb s PHE 85 N -0.82 0.58 0.27 -0.53 -0.12 -1.06 -0.74 117.98 115.57 2hnb s PHE 85 Ca 0.11 -0.90 0.04 0.00 -0.05 0.00 0.00 56.93 56.13 2hnb s PHE 85 Cb -0.10 -0.04 -0.06 0.00 -0.63 0.00 0.00 43.02 42.19 2hnb s PHE 85 CO 0.02 -0.86 0.01 0.20 -0.05 0.00 0.00 175.22 174.54 2hnb s GLY 86 N -3.05 1.80 -0.02 1.99 0.00 -0.93 -0.55 107.32 106.56 2hnb s GLY 86 Ca 0.26 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 43.08 2hnb s GLY 86 CO 0.09 -1.75 0.02 0.00 0.00 0.00 0.00 173.10 171.45 2hnb s ALA 87 N -3.32 0.13 -0.05 3.20 0.00 -1.26 -0.87 121.76 119.60 2hnb s ALA 87 Ca 0.32 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.51 2hnb s ALA 87 Cb 0.06 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2hnb s ALA 87 CO 0.12 -0.07 -0.08 0.42 0.00 0.00 0.00 175.76 176.15 2hnb s ILE 88 N 0.84 0.76 0.07 0.00 1.01 -0.22 -1.93 121.20 121.73 2hnb s ILE 88 Ca -0.07 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.39 2hnb s ILE 88 Cb -0.11 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 2hnb s ILE 88 CO -0.02 0.27 -0.20 -0.83 0.00 0.00 0.00 174.94 174.15 2hnb s GLY 89 N 0.72 1.58 0.00 6.18 0.00 -0.55 -1.42 107.32 113.82 2hnb s GLY 89 Ca -0.12 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.34 2hnb s GLY 89 CO 0.01 -1.19 -0.02 -0.42 0.00 0.00 0.00 173.10 171.49 2hnb s ILE 90 N -0.97 0.17 0.00 0.90 1.01 -0.49 -1.27 121.20 120.55 2hnb s ILE 90 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2hnb s ILE 90 Cb -0.10 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2hnb s ILE 90 CO 0.06 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2hnb n GLY 91 N 2.93 -0.84 3.68 6.18 0.00 -0.96 -0.67 105.19 115.51 2hnb n GLY 91 Ca -0.13 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 2hnb n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hnb s SER 92 N 0.00 7.09 0.63 1.61 0.01 -1.26 -1.48 113.70 120.30 2hnb s SER 92 Ca 0.00 1.67 0.35 0.00 1.31 0.00 0.00 55.95 59.28 2hnb s SER 92 Cb 0.00 -2.55 2.02 0.00 0.21 0.00 0.00 66.02 65.70 2hnb s SER 92 CO 0.00 -0.59 2.25 0.08 0.41 0.00 0.00 173.24 175.39 2hnb h ARG 93 N 7.49 0.00 -0.00 12.44 0.11 -1.91 -0.96 114.38 131.55 2hnb h ARG 93 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.78 2hnb h ARG 93 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2hnb h ARG 93 CO 0.90 0.00 -0.09 0.39 0.10 0.00 0.00 179.97 181.27 2hnb n GLU 94 N -3.47 0.71 -0.85 0.08 1.02 -1.26 -4.84 120.64 112.03 2hnb n GLU 94 Ca -0.02 -0.22 -0.30 0.00 -0.02 0.00 0.00 57.16 56.60 2hnb n GLU 94 Cb 0.14 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.23 2hnb n GLU 94 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2hnb s TYR 95 N -2.44 1.85 0.53 -0.32 2.02 -0.36 -4.93 117.35 113.70 2hnb s TYR 95 Ca 0.30 1.59 0.23 0.00 -0.37 0.00 0.00 57.07 58.82 2hnb s TYR 95 Cb 0.20 -3.23 1.50 0.00 -0.40 0.00 0.00 41.96 40.04 2hnb s TYR 95 CO 0.46 -2.73 2.17 0.22 -1.57 0.00 0.00 175.55 174.11 2hnb h ASP 96 N -1.81 0.00 -3.69 2.29 3.58 -1.89 -3.41 116.42 111.50 2hnb h ASP 96 Ca -0.47 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 56.77 2hnb h ASP 96 Cb 1.27 0.00 -0.28 0.00 1.72 0.00 0.00 39.33 42.04 2hnb h ASP 96 CO 0.46 0.03 -0.57 0.42 -2.88 0.00 0.00 179.24 176.70 2hnb s THR 97 N -4.75 -0.01 0.00 2.25 -4.23 -1.26 -4.87 115.64 102.76 2hnb s THR 97 Ca -0.05 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2hnb s THR 97 Cb 0.16 -0.20 0.00 0.00 1.34 0.00 0.00 72.50 73.79 2hnb s THR 97 CO 0.61 0.02 0.20 2.22 -0.54 0.00 0.00 174.62 177.13 2hnb n PHE 98 N 3.32 0.00 0.00 3.99 -1.74 -1.26 -4.52 117.46 117.25 2hnb n PHE 98 Ca -0.16 -0.02 0.00 0.00 -0.56 0.00 0.00 57.45 56.71 2hnb n PHE 98 Cb 0.57 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 2hnb n PHE 98 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2hnb h GLY 100 N 0.00 0.00 0.92 0.00 0.00 -1.95 -1.33 103.07 100.71 2hnb h GLY 100 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 2hnb h GLY 100 CO 0.00 0.00 0.40 0.00 0.00 0.00 0.00 176.54 176.94 2hnb h ALA 101 N 1.51 2.37 -0.12 3.60 0.00 -1.93 -0.98 119.26 123.72 2hnb h ALA 101 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2hnb h ALA 101 Cb 0.73 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2hnb h ALA 101 CO -0.00 -0.66 0.08 0.97 0.00 0.00 0.00 179.25 179.64 2hnb h ILE 102 N 0.00 0.96 -0.51 0.00 -0.00 -1.57 -2.62 117.51 113.77 2hnb h ILE 102 Ca 0.24 -0.01 0.13 0.00 -0.00 0.00 0.00 64.86 65.21 2hnb h ILE 102 Cb 1.04 0.92 -0.03 0.00 -0.00 0.00 0.00 36.82 38.75 2hnb h ILE 102 CO -0.00 0.01 0.36 -0.78 -0.00 0.00 0.00 178.15 177.73 2hnb h ASP 103 N 0.04 0.12 -0.03 2.19 3.58 -1.40 -1.28 116.42 119.64 2hnb h ASP 103 Ca 0.05 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 2hnb h ASP 103 Cb 0.16 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 2hnb h ASP 103 CO -0.00 0.07 0.01 0.11 -2.88 0.00 0.00 179.24 176.55 2hnb h LYS 104 N 0.13 0.05 -0.06 0.28 1.57 -1.66 0.10 116.57 116.97 2hnb h LYS 104 Ca 0.24 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2hnb h LYS 104 Cb 0.79 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 2hnb h LYS 104 CO -0.03 0.16 0.02 -0.07 -0.57 0.00 0.00 179.45 178.95 2hnb h LEU 105 N -0.08 0.10 -0.71 2.94 3.38 -1.43 -2.91 115.31 116.60 2hnb h LEU 105 Ca 0.01 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.61 2hnb h LEU 105 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2hnb h LEU 105 CO -0.00 0.31 -0.57 1.05 0.09 0.00 0.00 178.44 179.32 2hnb h GLU 106 N -0.11 0.23 -0.56 1.13 4.11 -1.35 -2.48 114.58 115.54 2hnb h GLU 106 Ca 0.02 -0.15 0.01 0.00 0.07 0.00 0.00 59.36 59.32 2hnb h GLU 106 Cb 0.25 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2hnb h GLU 106 CO 0.00 0.74 0.36 0.00 0.07 0.00 0.00 179.01 180.17 2hnb h ALA 107 N 1.23 0.72 0.00 1.06 0.00 -0.73 -0.08 119.26 121.46 2hnb h ALA 107 Ca -0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2hnb h ALA 107 Cb 1.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2hnb h ALA 107 CO 0.09 0.11 -0.50 0.93 0.00 0.00 0.00 179.25 179.87 2hnb h GLU 108 N 0.72 0.00 -0.27 0.00 4.39 -1.36 0.71 114.58 118.77 2hnb h GLU 108 Ca 0.21 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 2hnb h GLU 108 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2hnb h GLU 108 CO -0.07 0.50 0.07 -0.07 -1.16 0.00 0.00 179.01 178.29 2hnb h LEU 109 N 0.00 0.40 -0.70 1.33 3.38 -0.97 -1.12 115.31 117.64 2hnb h LEU 109 Ca -0.01 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2hnb h LEU 109 Cb 1.06 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2hnb h LEU 109 CO 0.07 0.51 0.13 0.11 0.09 0.00 0.00 178.44 179.35 2hnb h LYS 110 N 0.26 1.13 -0.68 1.13 1.57 -0.71 -0.68 116.57 118.60 2hnb h LYS 110 Ca 0.08 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2hnb h LYS 110 Cb 0.26 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2hnb h LYS 110 CO -0.00 1.02 0.30 -0.97 -0.57 0.00 0.00 179.45 179.23 2hnb h ASN 111 N 1.06 0.89 0.79 0.86 -1.24 -0.82 -0.67 115.58 116.45 2hnb h ASN 111 Ca 0.21 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2hnb h ASN 111 Cb 0.42 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.24 2hnb h ASN 111 CO 0.01 0.77 0.00 -1.20 -1.29 0.00 0.00 177.43 175.72 2hnb n SER 112 N -4.32 0.36 0.00 1.15 7.64 -0.43 -4.90 113.62 113.12 2hnb n SER 112 Ca 0.06 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2hnb n SER 112 Cb 0.15 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2hnb n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hnb n GLY 113 N 0.40 1.51 3.46 0.23 0.00 -0.26 -1.00 105.19 109.53 2hnb n GLY 113 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2hnb n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb s ALA 114 N -1.06 -0.33 -0.03 4.61 0.00 -0.38 -4.18 121.76 120.39 2hnb s ALA 114 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 2hnb s ALA 114 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.03 2hnb s ALA 114 CO 0.00 -3.96 0.10 0.15 0.00 0.00 0.00 175.76 172.06 2hnb s LYS 115 N -4.80 0.20 0.91 0.00 1.02 -1.00 -4.16 119.74 111.92 2hnb s LYS 115 Ca 0.68 0.01 -0.11 0.00 0.02 0.00 0.00 55.97 56.58 2hnb s LYS 115 Cb -0.19 0.09 0.14 0.00 -0.52 0.00 0.00 37.83 37.35 2hnb s LYS 115 CO 0.61 -0.03 1.12 -1.14 -0.92 0.00 0.00 175.35 174.98 2hnb s GLN 116 N -0.27 1.06 0.01 1.68 -0.44 -1.26 -2.55 119.66 117.88 2hnb s GLN 116 Ca -0.03 1.33 -0.05 0.00 -2.50 0.00 0.00 55.36 54.11 2hnb s GLN 116 Cb -0.02 -1.75 -0.01 0.00 -1.64 0.00 0.00 33.01 29.59 2hnb s GLN 116 CO 0.00 -2.53 0.08 0.99 0.50 0.00 0.00 175.29 174.33 2hnb s THR 117 N -2.70 0.09 0.00 -0.34 2.01 0.28 -4.76 115.64 110.21 2hnb s THR 117 Ca 0.66 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.94 2hnb s THR 117 Cb -0.21 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 71.94 2hnb s THR 117 CO 0.58 -0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2hnb n GLY 118 N 1.61 1.50 3.05 4.40 0.00 -1.26 -4.54 105.19 109.93 2hnb n GLY 118 Ca -0.22 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 2hnb n GLY 118 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hnb s GLU 119 N 0.00 0.49 0.23 1.61 2.12 -1.26 -5.11 118.70 116.78 2hnb s GLU 119 Ca 0.00 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.29 2hnb s GLU 119 Cb 0.00 -0.22 -0.10 0.00 0.26 0.00 0.00 34.13 34.07 2hnb s GLU 119 CO 0.00 0.03 1.51 0.99 -0.54 0.00 0.00 175.26 177.25 2hnb s THR 120 N -1.39 2.53 0.12 -1.70 2.01 -1.26 -4.82 115.64 111.12 2hnb s THR 120 Ca -0.11 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.31 2hnb s THR 120 Cb -0.10 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 2hnb s THR 120 CO 0.00 0.06 0.28 -0.22 -0.69 0.00 0.00 174.62 174.05 2hnb s LEU 121 N 0.07 4.32 -0.01 4.42 2.96 -0.81 -5.03 118.68 124.61 2hnb s LEU 121 Ca 0.63 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.85 2hnb s LEU 121 Cb -0.44 -3.02 0.00 0.00 0.50 0.00 0.00 46.19 43.23 2hnb s LEU 121 CO 0.40 0.08 -0.03 -1.59 -1.32 0.00 0.00 176.35 173.90 2hnb s LYS 122 N -2.88 0.25 -0.26 1.98 0.00 -1.26 -1.48 119.74 116.09 2hnb s LYS 122 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 55.97 56.23 2hnb s LYS 122 Cb -0.12 -0.26 0.08 0.00 0.00 0.00 0.00 37.83 37.53 2hnb s LYS 122 CO 0.28 0.04 0.05 0.42 0.00 0.00 0.00 175.35 176.15 2hnb s ILE 123 N 0.04 0.84 0.22 3.79 1.01 -0.40 -4.96 121.20 121.75 2hnb s ILE 123 Ca -0.00 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 2hnb s ILE 123 Cb -0.02 -1.46 -0.09 0.00 0.01 0.00 0.00 42.46 40.89 2hnb s ILE 123 CO -0.00 -0.43 1.37 0.21 0.00 0.00 0.00 174.94 176.09 2hnb s ASN 124 N 1.67 6.78 0.00 3.58 2.47 -1.26 -2.82 114.94 125.37 2hnb s ASN 124 Ca 0.04 2.52 0.11 0.00 0.42 0.00 0.00 52.86 55.95 2hnb s ASN 124 Cb -0.17 -2.62 -0.09 0.00 -1.45 0.00 0.00 41.25 36.93 2hnb s ASN 124 CO -0.17 -0.61 0.51 2.30 -3.72 0.00 0.00 177.10 175.41 2hnb n ILE 125 N 2.54 0.00 -2.54 -5.21 -5.35 -0.55 -4.86 119.36 103.39 2hnb n ILE 125 Ca 0.07 -0.29 -0.41 0.00 -0.27 0.00 0.00 62.75 61.85 2hnb n ILE 125 Cb 0.41 1.03 -0.01 0.00 -1.74 0.00 0.00 39.64 39.34 2hnb n ILE 125 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2hnb s LEU 126 N -2.29 3.67 0.00 7.28 2.96 -1.26 -3.63 118.68 125.41 2hnb s LEU 126 Ca 0.05 -2.03 0.00 0.00 -0.22 0.00 0.00 54.13 51.93 2hnb s LEU 126 Cb 0.08 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.20 2hnb s LEU 126 CO 0.39 -1.40 0.00 -0.67 -1.32 0.00 0.00 176.35 173.35 2hnb n ASP 127 N 8.94 0.00 0.16 3.68 2.03 -1.26 -4.91 116.55 125.19 2hnb n ASP 127 Ca 0.43 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.74 2hnb n ASP 127 Cb 0.48 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 2hnb n ASP 127 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2hnb n HIS 128 N -2.08 -3.99 -0.18 -0.67 -0.00 -1.24 -5.14 115.22 101.91 2hnb n HIS 128 Ca 0.00 1.09 0.00 0.00 -0.00 0.00 0.00 57.72 58.81 2hnb n HIS 128 Cb 0.00 2.87 0.00 0.00 -0.00 0.00 0.00 29.99 32.86 2hnb n HIS 128 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2hnb n ASP 129 N -3.13 3.39 -3.34 0.26 2.03 -1.24 -5.07 116.55 109.45 2hnb n ASP 129 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 2hnb n ASP 129 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 2hnb n ASP 129 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2hnb n ILE 130 N 0.00 0.88 0.76 5.18 -5.35 -1.26 -4.73 119.36 114.83 2hnb n ILE 130 Ca 0.00 -4.62 0.08 0.00 -0.27 0.00 0.00 62.75 57.94 2hnb n ILE 130 Cb 0.00 -2.03 0.40 0.00 -1.74 0.00 0.00 39.64 36.28 2hnb n ILE 130 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2hnb n PRO 131 N 1.21 0.23 -3.96 6.28 -0.04 -1.26 -4.69 135.00 132.76 2hnb n PRO 131 Ca 0.26 0.13 -0.08 0.00 -0.04 0.00 0.00 63.50 63.77 2hnb n PRO 131 Cb 0.46 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 2hnb n PRO 131 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2hnb s GLU 132 N -2.57 0.71 -0.10 0.54 2.56 -1.26 -5.17 118.70 113.41 2hnb s GLU 132 Ca 0.15 -1.03 -0.03 0.00 0.00 0.00 0.00 54.97 54.06 2hnb s GLU 132 Cb 0.11 0.27 0.04 0.00 2.00 0.00 0.00 34.13 36.55 2hnb s GLU 132 CO 0.24 -0.19 0.08 0.34 -0.56 0.00 0.00 175.26 175.17 2hnb s ASP 133 N -2.77 1.69 0.00 -1.70 2.15 -1.26 -5.04 116.67 109.74 2hnb s ASP 133 Ca 0.04 -0.24 0.28 0.00 0.43 0.00 0.00 52.55 53.07 2hnb s ASP 133 Cb 0.05 -0.18 1.47 0.00 -0.30 0.00 0.00 42.92 43.96 2hnb s ASP 133 CO -0.10 -0.30 1.98 -0.81 -0.17 0.00 0.00 175.17 175.78 2hnb n PRO 134 N 5.29 0.50 0.32 4.34 -0.04 -1.26 -4.22 135.00 139.93 2hnb n PRO 134 Ca -0.05 0.02 0.20 0.00 -0.04 0.00 0.00 63.50 63.63 2hnb n PRO 134 Cb 0.50 -1.50 1.10 0.00 -0.04 0.00 0.00 33.50 33.56 2hnb n PRO 134 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hnb h ALA 135 N 3.41 1.18 -0.23 0.55 0.00 -1.98 -1.52 119.26 120.67 2hnb h ALA 135 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2hnb h ALA 135 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2hnb h ALA 135 CO 0.00 -0.06 0.26 1.05 0.00 0.00 0.00 179.25 180.50 2hnb h GLU 136 N 0.00 0.00 -0.02 0.00 4.11 -1.95 0.59 114.58 117.31 2hnb h GLU 136 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2hnb h GLU 136 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2hnb h GLU 136 CO -0.00 0.00 -0.15 1.49 0.07 0.00 0.00 179.01 180.42 2hnb h GLU 137 N 0.00 0.14 0.00 1.06 4.81 -1.62 -3.29 114.58 115.68 2hnb h GLU 137 Ca 0.11 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2hnb h GLU 137 Cb 0.63 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2hnb h GLU 137 CO -0.00 0.81 -0.33 2.35 -0.73 0.00 0.00 179.01 181.11 2hnb h TRP 138 N -0.49 0.00 -0.62 0.92 2.91 -1.49 -1.69 115.95 115.48 2hnb h TRP 138 Ca -0.01 0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.11 2hnb h TRP 138 Cb 0.85 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.46 2hnb h TRP 138 CO 0.16 0.33 0.42 1.25 -1.03 0.00 0.00 178.44 179.56 2hnb h LEU 139 N 0.00 0.37 -0.65 0.65 5.85 -0.98 -1.37 115.31 119.17 2hnb h LEU 139 Ca -0.00 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.79 2hnb h LEU 139 Cb 0.68 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 2hnb h LEU 139 CO 0.04 0.22 0.34 1.23 -0.34 0.00 0.00 178.44 179.93 2hnb h GLY 140 N 0.41 0.95 0.98 3.75 0.00 -1.37 -0.46 103.07 107.34 2hnb h GLY 140 Ca 0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 2hnb h GLY 140 CO -0.08 0.12 0.23 1.76 0.00 0.00 0.00 176.54 178.57 2hnb h SER 141 N 0.62 0.76 -0.03 0.19 0.02 -1.38 -2.11 113.55 111.62 2hnb h SER 141 Ca 0.30 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2hnb h SER 141 Cb 0.23 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2hnb h SER 141 CO -0.21 0.71 0.02 -0.50 -1.14 0.00 0.00 176.83 175.71 2hnb h TRP 142 N 0.76 0.05 -0.01 3.45 6.55 -0.96 -2.45 115.95 123.33 2hnb h TRP 142 Ca 0.19 -0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.97 2hnb h TRP 142 Cb 0.18 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.46 2hnb h TRP 142 CO 0.01 0.15 -0.25 -0.39 -1.05 0.00 0.00 178.44 176.91 2hnb h VAL 143 N -0.07 1.18 0.00 1.49 -1.51 -1.06 0.56 116.25 116.84 2hnb h VAL 143 Ca 0.01 -0.87 -0.00 0.00 -1.23 0.00 0.00 66.70 64.61 2hnb h VAL 143 Cb 0.12 1.45 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2hnb h VAL 143 CO -0.00 0.25 -0.02 -1.13 -1.23 0.00 0.00 177.57 175.44 2hnb h ASN 144 N 0.02 0.00 0.00 4.19 -1.24 -1.11 -1.63 115.58 115.81 2hnb h ASN 144 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 56.30 56.60 2hnb h ASN 144 Cb 0.44 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.43 2hnb h ASN 144 CO 0.03 0.02 -2.43 0.18 -1.29 0.00 0.00 177.43 173.94 2hnb n LEU 145 N -3.12 2.20 0.24 0.34 7.99 -0.50 -4.46 117.00 119.68 2hnb n LEU 145 Ca 0.00 0.17 0.13 0.00 -0.01 0.00 0.00 56.01 56.31 2hnb n LEU 145 Cb 0.31 -0.79 0.37 0.00 -0.11 0.00 0.00 43.42 43.19 2hnb n LEU 145 CO 0.27 0.66 0.85 0.17 -1.51 0.00 0.00 177.39 177.84 2hnb h LEU 146 N -0.63 0.00 0.00 2.23 8.10 -1.03 -3.49 115.31 120.48 2hnb h LEU 146 Ca -0.62 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.37 2hnb h LEU 146 Cb 1.66 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.88 2hnb h LEU 146 CO -0.30 0.05 0.00 0.29 -4.11 0.00 0.00 178.44 174.37