#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 -0.07 0.00 -5.12 0.00 -1.26 -4.47 121.76 110.84 2hnb s ALA 2 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2hnb s ALA 2 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2hnb s ALA 2 CO 0.00 -0.44 0.00 -3.47 0.00 0.00 0.00 175.76 171.85 2hnb n ASP 3 N 0.18 0.66 -3.75 0.00 2.03 -0.12 -4.87 116.55 110.68 2hnb n ASP 3 Ca -0.16 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.88 2hnb n ASP 3 Cb 0.61 0.10 -0.11 0.00 -0.72 0.00 0.00 41.12 41.00 2hnb n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2hnb n ILE 4 N -0.45 1.00 -2.39 5.18 5.41 -0.16 -4.36 119.36 123.59 2hnb n ILE 4 Ca 0.00 -4.55 -0.43 0.00 1.00 0.00 0.00 62.75 58.77 2hnb n ILE 4 Cb 0.03 -2.06 -0.02 0.00 -0.71 0.00 0.00 39.64 36.88 2hnb n ILE 4 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2hnb s THR 5 N -1.18 4.17 0.48 1.39 2.01 -1.22 -3.82 115.64 117.46 2hnb s THR 5 Ca 0.28 1.37 -0.20 0.00 0.31 0.00 0.00 61.69 63.45 2hnb s THR 5 Cb -0.01 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 2hnb s THR 5 CO -0.17 -0.27 1.00 -0.76 -0.69 0.00 0.00 174.62 173.73 2hnb s LEU 6 N 3.97 3.83 -0.78 4.42 1.02 0.36 -3.19 118.68 128.30 2hnb s LEU 6 Ca 0.57 1.77 0.02 0.00 0.02 0.00 0.00 54.13 56.52 2hnb s LEU 6 Cb -0.20 -4.54 0.19 0.00 0.02 0.00 0.00 46.19 41.65 2hnb s LEU 6 CO 0.19 -0.61 0.61 -0.63 0.02 0.00 0.00 176.35 175.93 2hnb s ILE 7 N -2.19 3.49 0.49 -0.59 1.01 0.34 -1.93 121.20 121.81 2hnb s ILE 7 Ca 0.64 -4.11 -0.21 0.00 0.00 0.00 0.00 60.65 56.96 2hnb s ILE 7 Cb -0.12 -3.23 -0.07 0.00 0.01 0.00 0.00 42.46 39.04 2hnb s ILE 7 CO 0.20 -1.04 1.11 -0.44 0.00 0.00 0.00 174.94 174.78 2hnb s SER 8 N -0.92 6.12 -0.48 3.58 0.01 -0.25 -1.36 113.70 120.39 2hnb s SER 8 Ca 0.26 2.15 0.06 0.00 1.31 0.00 0.00 55.95 59.73 2hnb s SER 8 Cb -0.06 -2.58 0.18 0.00 0.21 0.00 0.00 66.02 63.77 2hnb s SER 8 CO -0.15 -0.94 0.62 -0.83 0.41 0.00 0.00 173.24 172.34 2hnb s GLY 9 N -1.65 -0.61 -0.15 3.44 0.00 -0.86 -1.31 107.32 106.17 2hnb s GLY 9 Ca 0.67 -0.92 -0.10 0.00 0.00 0.00 0.00 44.72 44.36 2hnb s GLY 9 CO 0.28 3.25 0.37 -0.45 0.00 0.00 0.00 173.10 176.55 2hnb s SER 10 N 0.72 -0.43 0.07 1.64 0.15 -1.26 -1.36 113.70 113.23 2hnb s SER 10 Ca 0.30 0.79 -0.12 0.00 0.70 0.00 0.00 55.95 57.62 2hnb s SER 10 Cb 0.00 0.72 -0.27 0.00 -1.71 0.00 0.00 66.02 64.77 2hnb s SER 10 CO -0.09 -0.16 1.12 0.71 1.20 0.00 0.00 173.24 176.02 2hnb h THR 11 N 5.15 1.34 -0.12 6.45 1.35 -1.98 -3.34 112.91 121.76 2hnb h THR 11 Ca -0.33 -2.60 -0.20 0.00 -0.55 0.00 0.00 66.41 62.73 2hnb h THR 11 Cb 1.18 2.75 0.01 0.00 -1.73 0.00 0.00 68.15 70.36 2hnb h THR 11 CO 0.29 0.78 -0.72 -0.07 -0.25 0.00 0.00 175.52 175.55 2hnb h LEU 12 N 0.22 0.83 0.00 3.87 3.38 -2.02 -3.48 115.31 118.11 2hnb h LEU 12 Ca -0.17 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2hnb h LEU 12 Cb 1.92 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2hnb h LEU 12 CO 0.23 1.35 0.00 0.61 0.09 0.00 0.00 178.44 180.72 2hnb n GLY 13 N 0.77 1.40 0.43 0.83 0.00 -1.25 -5.06 105.19 102.30 2hnb n GLY 13 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 2hnb n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hnb h GLY 14 N 0.00 -0.95 2.00 -0.02 0.00 -1.93 -0.77 103.07 101.40 2hnb h GLY 14 Ca 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 47.33 47.77 2hnb h GLY 14 CO 0.00 -0.30 -0.32 0.00 0.00 0.00 0.00 176.54 175.92 2hnb h ALA 15 N -0.37 1.27 0.00 3.60 0.00 -1.91 -3.04 119.26 118.81 2hnb h ALA 15 Ca -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2hnb h ALA 15 Cb 0.73 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2hnb h ALA 15 CO -0.17 0.40 -0.22 0.93 0.00 0.00 0.00 179.25 180.19 2hnb h GLU 16 N 0.00 0.00 -0.54 0.00 5.08 -1.49 0.07 114.58 117.69 2hnb h GLU 16 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2hnb h GLU 16 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2hnb h GLU 16 CO 0.04 0.22 0.04 1.88 -1.00 0.00 0.00 179.01 180.19 2hnb h TYR 17 N 0.00 1.00 -0.06 4.33 0.05 -1.09 -1.05 116.97 120.15 2hnb h TYR 17 Ca -0.00 -0.16 -0.15 0.00 0.05 0.00 0.00 58.73 58.47 2hnb h TYR 17 Cb 0.99 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 2hnb h TYR 17 CO 0.00 0.90 -0.62 0.28 -1.05 0.00 0.00 178.16 177.67 2hnb h VAL 18 N 0.81 1.39 -0.93 -2.88 2.07 -1.49 -1.25 116.25 113.97 2hnb h VAL 18 Ca 0.16 -2.02 0.02 0.00 0.82 0.00 0.00 66.70 65.68 2hnb h VAL 18 Cb 0.48 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 2hnb h VAL 18 CO 0.02 0.60 0.61 0.00 0.02 0.00 0.00 177.57 178.81 2hnb h ALA 19 N 1.18 1.20 -0.56 1.67 0.00 -0.79 -0.33 119.26 121.63 2hnb h ALA 19 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2hnb h ALA 19 Cb 1.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2hnb h ALA 19 CO 0.10 0.51 -0.02 1.49 0.00 0.00 0.00 179.25 181.33 2hnb h GLU 20 N 1.20 0.98 -0.35 0.00 4.81 -0.71 0.15 114.58 120.65 2hnb h GLU 20 Ca 0.36 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2hnb h GLU 20 Cb -0.06 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2hnb h GLU 20 CO -0.10 0.97 0.21 0.45 -0.73 0.00 0.00 179.01 179.81 2hnb h HIS 21 N 0.89 0.39 -0.47 0.92 3.86 -0.63 -0.42 115.15 119.69 2hnb h HIS 21 Ca 0.16 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 2hnb h HIS 21 Cb 0.55 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 2hnb h HIS 21 CO 0.04 0.23 0.08 -0.07 0.86 0.00 0.00 177.93 179.06 2hnb h LEU 22 N 0.42 0.74 -0.75 2.43 3.38 -0.82 -2.84 115.31 117.86 2hnb h LEU 22 Ca 0.14 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2hnb h LEU 22 Cb -0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2hnb h LEU 22 CO -0.06 0.81 0.49 0.00 0.09 0.00 0.00 178.44 179.77 2hnb h ALA 23 N 0.96 0.97 -0.53 1.53 0.00 -0.76 -2.41 119.26 119.02 2hnb h ALA 23 Ca 0.14 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2hnb h ALA 23 Cb 0.38 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2hnb h ALA 23 CO 0.01 0.33 0.09 1.49 0.00 0.00 0.00 179.25 181.18 2hnb h GLU 24 N 0.99 0.22 -0.46 0.00 4.81 -0.84 0.07 114.58 119.36 2hnb h GLU 24 Ca 0.29 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 2hnb h GLU 24 Cb -0.07 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2hnb h GLU 24 CO -0.08 0.14 -0.16 0.87 -0.73 0.00 0.00 179.01 179.05 2hnb h LYS 25 N 0.22 0.93 -0.58 1.92 1.79 -1.35 -2.09 116.57 117.42 2hnb h LYS 25 Ca 0.27 -0.38 -0.10 0.00 -2.18 0.00 0.00 60.65 58.26 2hnb h LYS 25 Cb 0.38 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 2hnb h LYS 25 CO -0.36 1.04 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.95 2hnb h LEU 26 N 0.77 1.02 -0.36 2.94 3.38 -0.89 0.48 115.31 122.66 2hnb h LEU 26 Ca 0.11 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2hnb h LEU 26 Cb 0.73 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2hnb h LEU 26 CO 0.06 1.09 0.21 -0.33 0.09 0.00 0.00 178.44 179.55 2hnb h GLU 27 N 0.94 0.49 -0.33 1.13 4.39 -0.90 -1.16 114.58 119.14 2hnb h GLU 27 Ca 0.16 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 2hnb h GLU 27 Cb 0.59 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2hnb h GLU 27 CO 0.04 0.38 -0.10 0.93 -1.16 0.00 0.00 179.01 179.10 2hnb h GLU 28 N 0.46 0.55 0.00 2.33 4.39 -1.05 -2.04 114.58 119.22 2hnb h GLU 28 Ca 0.13 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2hnb h GLU 28 Cb 0.02 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2hnb h GLU 28 CO -0.02 0.65 -0.10 0.00 -1.16 0.00 0.00 179.01 178.38 2hnb h ALA 29 N 1.38 1.07 0.00 3.43 0.00 -0.62 -3.47 119.26 121.05 2hnb h ALA 29 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hnb h ALA 29 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2hnb h ALA 29 CO 0.03 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2hnb n GLY 30 N -0.18 0.94 3.77 0.00 0.00 -0.75 -5.08 105.19 103.89 2hnb n GLY 30 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 1.63 -0.04 1.61 0.08 -0.52 -4.99 117.98 113.76 2hnb s PHE 31 Ca 0.00 0.58 0.06 0.00 0.12 0.00 0.00 56.93 57.69 2hnb s PHE 31 Cb 0.00 -3.63 -0.01 0.00 -0.57 0.00 0.00 43.02 38.81 2hnb s PHE 31 CO 0.00 -2.90 -0.22 0.95 -0.10 0.00 0.00 175.22 172.95 2hnb s THR 32 N -3.38 1.78 0.28 0.64 -4.23 -1.26 -4.17 115.64 105.30 2hnb s THR 32 Ca 0.69 -0.94 0.02 0.00 -1.18 0.00 0.00 61.69 60.28 2hnb s THR 32 Cb -0.10 -1.50 -0.05 0.00 1.34 0.00 0.00 72.50 72.19 2hnb s THR 32 CO 0.54 0.50 0.09 0.42 -0.54 0.00 0.00 174.62 175.63 2hnb s THR 33 N -0.27 0.74 -0.20 3.99 -4.23 -1.26 -0.94 115.64 113.46 2hnb s THR 33 Ca 0.02 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.43 2hnb s THR 33 Cb -0.11 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.13 2hnb s THR 33 CO 0.01 0.00 0.47 -0.70 -0.54 0.00 0.00 174.62 173.86 2hnb s GLU 34 N -3.98 0.43 -1.40 3.99 2.56 -1.25 -4.67 118.70 114.38 2hnb s GLU 34 Ca 0.37 0.98 -0.13 0.00 0.00 0.00 0.00 54.97 56.19 2hnb s GLU 34 Cb 0.08 0.18 0.08 0.00 2.00 0.00 0.00 34.13 36.46 2hnb s GLU 34 CO 0.14 -0.19 2.11 0.25 -0.56 0.00 0.00 175.26 177.01 2hnb n THR 35 N 4.72 3.71 -2.10 -1.70 -2.24 -1.26 -0.49 114.28 114.92 2hnb n THR 35 Ca -0.17 -3.44 -0.43 0.00 -2.27 0.00 0.00 64.05 57.74 2hnb n THR 35 Cb 0.53 -2.53 -0.03 0.00 -2.10 0.00 0.00 70.33 66.21 2hnb n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2hnb s LEU 36 N 1.69 3.80 -0.43 3.22 0.20 -0.81 -4.74 118.68 121.60 2hnb s LEU 36 Ca 0.45 1.51 -0.28 0.00 0.69 0.00 0.00 54.13 56.50 2hnb s LEU 36 Cb 0.12 -3.53 -0.00 0.00 -0.43 0.00 0.00 46.19 42.35 2hnb s LEU 36 CO -0.06 -1.36 1.59 -2.28 -0.29 0.00 0.00 176.35 173.96 2hnb s HIS 37 N 5.56 2.10 -1.19 5.38 5.65 -1.26 -1.09 115.29 130.43 2hnb s HIS 37 Ca 0.73 0.64 -0.12 0.00 0.25 0.00 0.00 55.06 56.55 2hnb s HIS 37 Cb -0.24 -4.24 -0.01 0.00 -1.18 0.00 0.00 32.58 26.91 2hnb s HIS 37 CO 0.30 -2.34 0.74 0.41 -0.65 0.00 0.00 174.74 173.21 2hnb n GLY 38 N 5.30 -0.77 3.54 1.59 0.00 -0.43 -4.97 105.19 109.44 2hnb n GLY 38 Ca 0.18 0.37 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 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 -5.85 -1.28 0.24 1.61 0.04 -1.26 -4.77 135.00 123.73 2hnb s PRO 39 Ca 0.32 0.16 0.05 0.00 0.04 0.00 0.00 61.00 61.57 2hnb s PRO 39 Cb -0.10 -1.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.82 2hnb s PRO 39 CO 0.84 -3.80 -0.04 -0.51 0.04 0.00 0.00 177.00 173.53 2hnb s LEU 40 N -7.08 2.37 0.51 -3.56 1.43 -1.26 -4.63 118.68 106.46 2hnb s LEU 40 Ca 0.69 -1.17 0.21 0.00 -1.03 0.00 0.00 54.13 52.83 2hnb s LEU 40 Cb -0.14 -0.45 1.35 0.00 0.03 0.00 0.00 46.19 46.98 2hnb s LEU 40 CO 0.58 -0.40 2.10 0.25 0.23 0.00 0.00 176.35 179.11 2hnb h LEU 41 N 2.43 0.00 -0.10 1.79 5.85 -1.90 -1.33 115.31 122.05 2hnb h LEU 41 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2hnb h LEU 41 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2hnb h LEU 41 CO 0.65 0.09 0.00 -1.84 -0.34 0.00 0.00 178.44 177.00 2hnb n GLU 42 N -4.11 0.01 -0.25 1.25 0.28 -1.26 -2.04 120.64 114.52 2hnb n GLU 42 Ca -0.03 0.44 0.06 0.00 -0.16 0.00 0.00 57.16 57.47 2hnb n GLU 42 Cb 0.17 -1.53 0.08 0.00 1.43 0.00 0.00 31.44 31.59 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 -1.56 1.34 -3.64 -1.84 2.03 -0.50 -4.96 116.55 107.42 2hnb n ASP 43 Ca 0.01 -2.61 -0.29 0.00 0.52 0.00 0.00 54.79 52.41 2hnb n ASP 43 Cb 0.05 -0.33 -0.14 0.00 -0.72 0.00 0.00 41.12 39.98 2hnb n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hnb s LEU 44 N -1.63 1.66 0.93 -2.67 1.43 -0.86 -4.93 118.68 112.60 2hnb s LEU 44 Ca 0.18 -1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 51.45 2hnb s LEU 44 Cb 0.16 -0.68 0.15 0.00 0.03 0.00 0.00 46.19 45.85 2hnb s LEU 44 CO 0.02 -0.39 1.09 -2.16 0.23 0.00 0.00 176.35 175.13 2hnb s PRO 45 N 1.55 0.93 0.00 1.29 0.04 -1.26 -4.86 135.00 132.69 2hnb s PRO 45 Ca 0.11 0.89 0.08 0.00 0.04 0.00 0.00 61.00 62.12 2hnb s PRO 45 Cb -0.18 -1.77 0.49 0.00 0.04 0.00 0.00 34.50 33.08 2hnb s PRO 45 CO -0.23 -2.48 0.94 0.00 0.04 0.00 0.00 177.00 175.27 2hnb n ALA 46 N -4.06 2.03 -3.48 8.56 0.00 -1.26 -4.61 120.51 117.70 2hnb n ALA 46 Ca 0.07 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 2hnb n ALA 46 Cb 0.55 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.77 -0.18 0.00 0.00 0.01 -1.26 -2.23 113.70 108.26 2hnb s SER 47 Ca 0.12 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2hnb s SER 47 Cb 0.06 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2hnb s SER 47 CO 0.10 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2hnb n GLY 48 N 3.74 1.06 3.11 3.44 0.00 -1.23 -4.89 105.19 110.44 2hnb n GLY 48 Ca -0.21 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.77 3.07 0.36 -0.61 1.01 -1.26 -1.07 121.20 120.94 2hnb s ILE 49 Ca 0.00 -1.98 0.08 0.00 0.00 0.00 0.00 60.65 58.75 2hnb s ILE 49 Cb 0.00 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2hnb s ILE 49 CO 0.00 -0.57 0.21 0.26 0.00 0.00 0.00 174.94 174.84 2hnb s TRP 50 N 1.12 2.72 -0.30 3.97 0.23 -0.48 -3.43 118.94 122.77 2hnb s TRP 50 Ca 0.06 -0.42 -0.01 0.00 -2.03 0.00 0.00 56.10 53.71 2hnb s TRP 50 Cb -0.22 -1.80 0.13 0.00 0.03 0.00 0.00 33.47 31.62 2hnb s TRP 50 CO -0.04 0.22 0.28 -1.17 0.96 0.00 0.00 176.95 177.20 2hnb s LEU 51 N -3.92 -0.13 0.06 2.99 2.96 -1.19 -0.88 118.68 118.57 2hnb s LEU 51 Ca 0.40 -0.88 -0.30 0.00 -0.22 0.00 0.00 54.13 53.13 2hnb s LEU 51 Cb -0.02 0.41 -0.05 0.00 0.50 0.00 0.00 46.19 47.03 2hnb s LEU 51 CO 0.24 -0.39 0.99 -0.69 -1.32 0.00 0.00 176.35 175.18 2hnb s VAL 52 N 2.26 4.62 -0.03 1.68 1.01 0.20 -0.51 120.40 129.63 2hnb s VAL 52 Ca 0.10 2.02 0.01 0.00 0.00 0.00 0.00 61.98 64.11 2hnb s VAL 52 Cb -0.14 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 31.96 2hnb s VAL 52 CO -0.31 0.23 -0.03 -0.63 0.00 0.00 0.00 175.10 174.36 2hnb s ILE 53 N 0.51 0.38 -0.03 2.22 1.01 -0.47 -2.16 121.20 122.66 2hnb s ILE 53 Ca 0.50 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.09 2hnb s ILE 53 Cb -0.23 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 41.85 2hnb s ILE 53 CO 0.29 0.17 -0.06 -0.44 0.00 0.00 0.00 174.94 174.90 2hnb s SER 54 N 0.69 0.93 0.75 3.58 0.01 -1.14 -2.04 113.70 116.47 2hnb s SER 54 Ca -0.08 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 56.93 2hnb s SER 54 Cb -0.11 -0.33 0.04 0.00 0.21 0.00 0.00 66.02 65.83 2hnb s SER 54 CO -0.01 0.01 1.13 -0.44 0.41 0.00 0.00 173.24 174.34 2hnb s SER 55 N 0.48 5.07 -0.15 2.44 0.01 -0.46 -1.09 113.70 120.00 2hnb s SER 55 Ca -0.06 0.99 -0.04 0.00 1.31 0.00 0.00 55.95 58.14 2hnb s SER 55 Cb -0.10 -1.66 0.06 0.00 0.21 0.00 0.00 66.02 64.53 2hnb s SER 55 CO 0.00 -1.56 0.11 -0.89 0.41 0.00 0.00 173.24 171.31 2hnb s THR 56 N -3.44 -0.15 -1.48 1.44 2.01 0.35 -4.25 115.64 110.12 2hnb s THR 56 Ca 0.60 -0.02 0.18 0.00 0.31 0.00 0.00 61.69 62.75 2hnb s THR 56 Cb -0.11 -0.50 0.32 0.00 0.01 0.00 0.00 72.50 72.22 2hnb s THR 56 CO 0.51 -0.17 1.52 1.41 -0.69 0.00 0.00 174.62 177.20 2hnb n HIS 57 N 5.29 0.00 0.00 4.92 8.25 -1.12 -1.29 115.22 131.27 2hnb n HIS 57 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2hnb n HIS 57 Cb 0.49 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2hnb n HIS 57 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hnb n GLY 58 N 0.20 1.78 0.01 -1.41 0.00 -1.26 -4.73 105.19 99.78 2hnb n GLY 58 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 1.16 0.00 4.61 0.00 -1.26 -0.97 120.51 124.05 2hnb n ALA 59 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2hnb n ALA 59 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.07 1.10 3.67 0.00 0.00 -1.26 -4.81 105.19 103.81 2hnb n GLY 60 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2hnb n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hnb n ASP 61 N 0.00 3.70 -4.73 1.61 2.03 -1.26 -4.26 116.55 113.65 2hnb n ASP 61 Ca 0.00 0.90 -0.40 0.00 0.52 0.00 0.00 54.79 55.81 2hnb n ASP 61 Cb 0.00 -1.44 -0.04 0.00 -0.72 0.00 0.00 41.12 38.92 2hnb n ASP 61 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hnb s ILE 62 N 4.48 4.82 0.24 5.18 1.01 -1.26 -2.78 121.20 132.88 2hnb s ILE 62 Ca 0.92 1.74 -0.31 0.00 0.00 0.00 0.00 60.65 63.01 2hnb s ILE 62 Cb -0.58 -4.17 -0.14 0.00 0.01 0.00 0.00 42.46 37.57 2hnb s ILE 62 CO 0.47 0.28 1.20 -2.65 0.00 0.00 0.00 174.94 174.24 2hnb n PRO 63 N 3.33 1.53 0.28 2.79 -0.02 -1.26 -4.69 135.00 136.95 2hnb n PRO 63 Ca 0.01 0.54 0.19 0.00 -2.02 0.00 0.00 63.50 62.21 2hnb n PRO 63 Cb 0.51 -2.05 0.96 0.00 -0.02 0.00 0.00 33.50 32.89 2hnb n PRO 63 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2hnb h ASP 64 N 3.16 0.00 0.90 2.55 3.58 -1.96 -0.03 116.42 124.62 2hnb h ASP 64 Ca -0.43 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.92 2hnb h ASP 64 Cb 1.32 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 2hnb h ASP 64 CO 0.68 0.00 -0.49 -0.55 -2.88 0.00 0.00 179.24 176.00 2hnb h ASN 65 N 0.00 0.00 0.00 2.28 -1.07 -1.90 -3.38 115.58 111.51 2hnb h ASN 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2hnb h ASN 65 Cb 0.11 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.36 2hnb h ASN 65 CO 0.00 0.49 -0.95 -0.11 0.07 0.00 0.00 177.43 176.94 2hnb n LEU 66 N -3.53 0.00 -0.34 6.14 7.94 -0.82 -4.28 117.00 122.10 2hnb n LEU 66 Ca -0.00 0.00 0.21 0.00 -1.11 0.00 0.00 56.01 55.11 2hnb n LEU 66 Cb 0.60 0.00 0.44 0.00 0.53 0.00 0.00 43.42 44.98 2hnb n LEU 66 CO 0.39 0.00 1.15 -1.28 -1.11 0.00 0.00 177.39 176.54 2hnb h SER 67 N 0.00 0.59 -0.54 1.96 0.87 -1.20 -0.11 113.55 115.11 2hnb h SER 67 Ca 0.00 0.16 0.16 0.00 -1.23 0.00 0.00 61.79 60.88 2hnb h SER 67 Cb 0.67 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 2hnb h SER 67 CO 0.00 -0.01 0.60 -0.65 -0.53 0.00 0.00 176.83 176.24 2hnb h PRO 68 N 0.45 0.00 -0.73 2.24 0.11 -1.84 -1.08 132.00 131.14 2hnb h PRO 68 Ca 0.69 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.80 2hnb h PRO 68 Cb 1.47 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.54 2hnb h PRO 68 CO -0.53 0.00 0.45 0.35 -0.21 0.00 0.00 178.00 178.07 2hnb h PHE 69 N 0.00 0.95 -0.43 0.65 3.57 -1.27 -1.31 116.94 119.10 2hnb h PHE 69 Ca 0.26 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2hnb h PHE 69 Cb 1.45 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 2hnb h PHE 69 CO 0.00 0.62 0.04 -0.92 -2.23 0.00 0.00 178.31 175.82 2hnb h TYR 70 N 1.00 0.80 -0.19 0.41 3.20 -1.37 -0.24 116.97 120.58 2hnb h TYR 70 Ca 0.26 -0.13 -0.19 0.00 3.14 0.00 0.00 58.73 61.82 2hnb h TYR 70 Cb -0.06 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.00 2hnb h TYR 70 CO 0.00 0.78 -0.65 1.05 -1.64 0.00 0.00 178.16 177.70 2hnb h GLU 71 N 0.59 0.68 -0.33 1.82 4.11 -1.59 -1.81 114.58 118.05 2hnb h GLU 71 Ca 0.13 -0.49 -0.10 0.00 0.07 0.00 0.00 59.36 58.97 2hnb h GLU 71 Cb 0.43 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2hnb h GLU 71 CO 0.02 1.11 -0.20 0.00 0.07 0.00 0.00 179.01 180.01 2hnb h ALA 72 N 0.77 1.04 0.35 1.06 0.00 -1.15 -0.92 119.26 120.40 2hnb h ALA 72 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2hnb h ALA 72 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2hnb h ALA 72 CO 0.13 0.58 -0.17 -0.07 0.00 0.00 0.00 179.25 179.72 2hnb h LEU 73 N 0.56 -0.40 -1.26 0.00 3.38 -0.98 -2.96 115.31 113.65 2hnb h LEU 73 Ca 0.09 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2hnb h LEU 73 Cb 0.65 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2hnb h LEU 73 CO 0.05 -0.11 -0.28 0.06 0.09 0.00 0.00 178.44 178.24 2hnb h GLN 74 N -0.69 0.00 -0.32 1.13 3.07 -1.20 0.17 115.11 117.26 2hnb h GLN 74 Ca -0.05 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.56 2hnb h GLN 74 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 2hnb h GLN 74 CO 0.08 0.28 -0.33 1.49 0.09 0.00 0.00 178.83 180.44 2hnb h GLU 75 N 0.00 0.72 0.00 0.06 4.81 -1.20 -3.37 114.58 115.60 2hnb h GLU 75 Ca -0.00 -0.34 -0.28 0.00 -0.13 0.00 0.00 59.36 58.61 2hnb h GLU 75 Cb 0.70 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 2hnb h GLU 75 CO 0.04 0.94 -2.07 1.04 -0.73 0.00 0.00 179.01 178.24 2hnb n GLN 76 N -4.07 1.08 -3.84 1.92 6.02 -0.99 -5.03 117.38 112.47 2hnb n GLN 76 Ca -0.01 0.04 -0.24 0.00 -0.01 0.00 0.00 57.00 56.78 2hnb n GLN 76 Cb 0.49 -1.39 -0.00 0.00 1.02 0.00 0.00 30.24 30.36 2hnb n GLN 76 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2hnb n LYS 77 N -2.78 -0.66 -1.05 -1.09 5.02 0.55 -4.95 118.16 113.20 2hnb n LYS 77 Ca -0.29 -0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 55.56 2hnb n LYS 77 Cb 0.94 -1.13 0.19 0.00 -0.02 0.00 0.00 35.03 35.01 2hnb n LYS 77 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hnb s PRO 78 N -6.19 0.08 -0.25 1.97 0.04 -1.26 -4.97 135.00 124.42 2hnb s PRO 78 Ca 0.22 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 61.51 2hnb s PRO 78 Cb -0.12 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2hnb s PRO 78 CO 0.54 -2.98 1.50 0.34 0.04 0.00 0.00 177.00 176.44 2hnb s ASP 79 N -3.28 6.48 -0.11 6.66 2.15 -1.26 -4.74 116.67 122.56 2hnb s ASP 79 Ca 0.66 1.45 0.17 0.00 0.43 0.00 0.00 52.55 55.26 2hnb s ASP 79 Cb -0.20 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.15 2hnb s ASP 79 CO 0.59 -1.20 1.14 0.18 -0.17 0.00 0.00 175.17 175.71 2hnb n LEU 80 N 8.16 2.35 0.00 -1.34 4.77 -0.35 -4.77 117.00 125.82 2hnb n LEU 80 Ca 0.17 -2.95 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 2hnb n LEU 80 Cb 0.46 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2hnb n LEU 80 CO 0.64 0.68 0.12 -1.20 -1.33 0.00 0.00 177.39 176.30 2hnb n SER 81 N -1.29 0.00 0.00 -1.43 7.64 -1.23 -1.18 113.62 116.13 2hnb n SER 81 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2hnb n SER 81 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.71 2.04 -2.33 -0.43 0.00 -1.17 -4.71 120.51 113.20 2hnb n ALA 82 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 2hnb n ALA 82 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.10 3.99 -0.43 0.00 1.01 -0.32 -3.47 120.40 121.07 2hnb s VAL 83 Ca 0.00 1.50 -0.08 0.00 0.00 0.00 0.00 61.98 63.40 2hnb s VAL 83 Cb 0.00 -3.96 0.10 0.00 0.00 0.00 0.00 36.38 32.51 2hnb s VAL 83 CO 0.00 0.16 0.28 -0.13 0.00 0.00 0.00 175.10 175.40 2hnb s ARG 84 N 0.65 2.49 0.45 2.72 1.81 -0.23 -3.03 118.95 123.82 2hnb s ARG 84 Ca 0.56 -1.60 0.03 0.00 -1.72 0.00 0.00 55.73 53.00 2hnb s ARG 84 Cb -0.29 -3.80 0.01 0.00 -0.45 0.00 0.00 34.95 30.42 2hnb s ARG 84 CO 0.31 -1.04 0.64 -0.59 -0.68 0.00 0.00 175.30 173.94 2hnb s PHE 85 N 1.37 3.01 0.17 -0.53 -0.12 -0.31 -1.39 117.98 120.18 2hnb s PHE 85 Ca 0.04 -0.05 0.10 0.00 -0.05 0.00 0.00 56.93 56.97 2hnb s PHE 85 Cb -0.24 -2.40 -0.04 0.00 -0.63 0.00 0.00 43.02 39.71 2hnb s PHE 85 CO 0.00 -0.46 -0.21 0.20 -0.05 0.00 0.00 175.22 174.71 2hnb s GLY 86 N -4.30 1.50 -0.11 1.99 0.00 -0.05 -0.93 107.32 105.42 2hnb s GLY 86 Ca 0.52 -1.53 -0.04 0.00 0.00 0.00 0.00 44.72 43.66 2hnb s GLY 86 CO 0.36 -1.57 0.22 0.00 0.00 0.00 0.00 173.10 172.11 2hnb s ALA 87 N -1.84 -0.41 -0.03 3.20 0.00 -1.25 -0.63 121.76 120.80 2hnb s ALA 87 Ca 0.17 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.95 2hnb s ALA 87 Cb -0.07 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.22 2hnb s ALA 87 CO 0.08 -0.50 -0.03 0.42 0.00 0.00 0.00 175.76 175.72 2hnb s ILE 88 N 2.09 0.41 -0.12 0.00 1.01 -0.92 -3.60 121.20 120.06 2hnb s ILE 88 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 2hnb s ILE 88 Cb -0.12 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 2hnb s ILE 88 CO -0.07 0.18 0.09 -0.83 0.00 0.00 0.00 174.94 174.31 2hnb s GLY 89 N 0.73 2.04 0.08 6.18 0.00 0.07 -2.90 107.32 113.52 2hnb s GLY 89 Ca -0.09 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 43.97 2hnb s GLY 89 CO -0.00 -0.34 -0.10 -0.42 0.00 0.00 0.00 173.10 172.23 2hnb s ILE 90 N -0.73 0.89 0.00 0.90 1.01 -0.25 -1.13 121.20 121.89 2hnb s ILE 90 Ca 0.13 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.30 2hnb s ILE 90 Cb -0.12 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.19 2hnb s ILE 90 CO 0.03 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.11 2hnb n GLY 91 N 0.86 0.69 2.39 6.18 0.00 -0.93 -0.50 105.19 113.89 2hnb n GLY 91 Ca -0.18 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 2hnb n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hnb n SER 92 N 0.00 5.58 -0.26 1.61 7.64 -0.41 -1.18 113.62 126.59 2hnb n SER 92 Ca 0.00 -2.35 -0.02 0.00 1.01 0.00 0.00 58.87 57.51 2hnb n SER 92 Cb 0.00 -1.19 0.05 0.00 -1.01 0.00 0.00 64.21 62.05 2hnb n SER 92 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2hnb h ARG 93 N 5.22 -0.07 0.00 1.43 1.12 -1.84 -1.14 114.38 119.09 2hnb h ARG 93 Ca 0.48 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.36 2hnb h ARG 93 Cb 0.48 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 2hnb h ARG 93 CO 1.18 -0.05 0.00 0.39 -3.11 0.00 0.00 179.97 178.39 2hnb n GLU 94 N -5.47 0.06 0.02 0.20 -0.58 -1.26 -1.17 120.64 112.44 2hnb n GLU 94 Ca 0.08 0.43 -0.13 0.00 -0.42 0.00 0.00 57.16 57.12 2hnb n GLU 94 Cb 0.38 -1.65 -0.09 0.00 -0.57 0.00 0.00 31.44 29.51 2hnb n GLU 94 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2hnb h TYR 95 N 0.00 -0.04 0.00 -0.32 5.03 -1.45 -3.47 116.97 116.72 2hnb h TYR 95 Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2hnb h TYR 95 Cb 0.15 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.44 2hnb h TYR 95 CO 0.00 0.28 0.00 -3.47 -1.32 0.00 0.00 178.16 173.65 2hnb n ASP 96 N -4.96 0.00 -4.50 -2.11 2.03 -0.32 -5.01 116.55 101.69 2hnb n ASP 96 Ca -0.08 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.93 2hnb n ASP 96 Cb 0.18 0.19 0.22 0.00 -0.72 0.00 0.00 41.12 40.99 2hnb n ASP 96 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2hnb n THR 97 N -2.08 0.00 -1.95 5.18 5.66 -0.15 -4.96 114.28 115.98 2hnb n THR 97 Ca 0.00 -0.30 -0.29 0.00 -3.05 0.00 0.00 64.05 60.41 2hnb n THR 97 Cb 0.00 -0.93 0.03 0.00 -1.55 0.00 0.00 70.33 67.88 2hnb n THR 97 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2hnb n PHE 98 N -4.67 3.04 -4.04 1.09 7.35 -1.26 -4.44 117.46 114.53 2hnb n PHE 98 Ca 0.05 -2.62 -0.31 0.00 -0.76 0.00 0.00 57.45 53.81 2hnb n PHE 98 Cb 0.54 -0.65 -0.03 0.00 0.35 0.00 0.00 39.48 39.70 2hnb n PHE 98 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hnb n GLY 100 N -2.13 -1.25 0.35 0.00 0.00 -1.26 -4.02 105.19 96.88 2hnb n GLY 100 Ca -0.26 0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.91 2hnb n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hnb h ALA 101 N 2.27 1.70 0.00 4.61 0.00 -1.82 -1.69 119.26 124.33 2hnb h ALA 101 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2hnb h ALA 101 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2hnb h ALA 101 CO 0.00 0.18 -0.31 0.97 0.00 0.00 0.00 179.25 180.09 2hnb h ILE 102 N 0.77 1.01 -0.61 0.00 6.09 -1.85 -3.30 117.51 119.61 2hnb h ILE 102 Ca 0.32 -1.15 -0.01 0.00 -1.37 0.00 0.00 64.86 62.66 2hnb h ILE 102 Cb 0.28 1.66 -0.03 0.00 0.47 0.00 0.00 36.82 39.20 2hnb h ILE 102 CO -0.11 0.30 0.36 -0.78 -3.07 0.00 0.00 178.15 174.86 2hnb h ASP 103 N 0.00 0.74 -0.35 2.19 3.58 -1.58 0.77 116.42 121.76 2hnb h ASP 103 Ca -0.00 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.33 2hnb h ASP 103 Cb 0.63 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2hnb h ASP 103 CO 0.04 0.59 0.02 0.11 -2.88 0.00 0.00 179.24 177.13 2hnb h LYS 104 N 0.83 0.60 -0.27 0.28 1.57 -1.73 -0.96 116.57 116.90 2hnb h LYS 104 Ca 0.22 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2hnb h LYS 104 Cb -0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2hnb h LYS 104 CO -0.04 0.70 0.10 -0.07 -0.57 0.00 0.00 179.45 179.58 2hnb h LEU 105 N 0.43 0.37 -0.37 2.94 3.38 -1.51 -2.76 115.31 117.78 2hnb h LEU 105 Ca 0.10 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 2hnb h LEU 105 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2hnb h LEU 105 CO 0.01 0.44 -0.38 1.05 0.09 0.00 0.00 178.44 179.65 2hnb h GLU 106 N 0.28 0.91 -0.37 1.13 4.11 -0.88 -3.29 114.58 116.47 2hnb h GLU 106 Ca 0.09 -0.49 -0.06 0.00 0.07 0.00 0.00 59.36 58.98 2hnb h GLU 106 Cb 0.19 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2hnb h GLU 106 CO -0.01 1.14 -0.00 0.00 0.07 0.00 0.00 179.01 180.21 2hnb h ALA 107 N 0.76 1.31 0.00 1.06 0.00 -0.98 -0.81 119.26 120.59 2hnb h ALA 107 Ca 0.06 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2hnb h ALA 107 Cb 0.98 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2hnb h ALA 107 CO 0.09 0.47 -0.71 1.49 0.00 0.00 0.00 179.25 180.60 2hnb h GLU 108 N 0.56 0.00 -0.48 0.00 4.57 -1.56 0.99 114.58 118.65 2hnb h GLU 108 Ca 0.12 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 2hnb h GLU 108 Cb 0.36 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2hnb h GLU 108 CO 0.01 0.71 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.44 2hnb h LEU 109 N 0.00 0.87 -0.55 1.64 3.38 -1.45 -0.60 115.31 118.60 2hnb h LEU 109 Ca -0.01 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2hnb h LEU 109 Cb 1.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2hnb h LEU 109 CO 0.09 0.99 0.31 0.50 0.09 0.00 0.00 178.44 180.42 2hnb h LYS 110 N 0.74 0.77 -0.34 1.13 3.64 -0.76 -0.93 116.57 120.82 2hnb h LYS 110 Ca 0.13 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 2hnb h LYS 110 Cb 0.56 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2hnb h LYS 110 CO 0.03 0.59 -0.22 -0.97 -2.27 0.00 0.00 179.45 176.61 2hnb h ASN 111 N 0.74 0.67 0.09 4.20 -1.24 -0.78 -1.50 115.58 117.76 2hnb h ASN 111 Ca 0.20 -0.23 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2hnb h ASN 111 Cb 0.04 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.91 2hnb h ASN 111 CO -0.03 0.88 0.00 -1.20 -1.29 0.00 0.00 177.43 175.79 2hnb n SER 112 N -4.12 0.00 0.00 1.15 7.64 -0.24 -4.86 113.62 113.20 2hnb n SER 112 Ca 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.64 2hnb n SER 112 Cb 0.42 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.13 1.94 3.51 0.23 0.00 -0.57 -1.22 105.19 108.96 2hnb n GLY 113 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.28 -0.15 0.03 4.61 0.00 -0.44 -4.23 121.76 119.31 2hnb s ALA 114 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 2hnb s ALA 114 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2hnb s ALA 114 CO 0.00 -3.75 0.06 0.15 0.00 0.00 0.00 175.76 172.22 2hnb s LYS 115 N -4.76 0.54 0.90 0.00 1.02 -1.17 -4.16 119.74 112.11 2hnb s LYS 115 Ca 0.68 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.79 2hnb s LYS 115 Cb -0.20 0.21 0.13 0.00 -0.52 0.00 0.00 37.83 37.45 2hnb s LYS 115 CO 0.61 -0.12 1.12 -1.14 -0.92 0.00 0.00 175.35 174.89 2hnb s GLN 116 N -2.53 1.18 0.07 1.68 2.00 -1.26 -1.17 119.66 119.63 2hnb s GLN 116 Ca -0.06 1.32 0.03 0.00 -2.00 0.00 0.00 55.36 54.65 2hnb s GLN 116 Cb -0.02 -1.76 -0.03 0.00 0.80 0.00 0.00 33.01 32.00 2hnb s GLN 116 CO -0.04 -2.44 -0.10 0.99 -0.50 0.00 0.00 175.29 173.20 2hnb s THR 117 N -2.73 0.80 0.00 -0.34 2.01 -0.11 -4.75 115.64 110.53 2hnb s THR 117 Ca 0.65 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 61.25 2hnb s THR 117 Cb -0.21 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.24 2hnb s THR 117 CO 0.58 -0.46 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 2hnb n GLY 118 N 0.97 3.11 3.00 4.40 0.00 -1.26 -4.70 105.19 110.71 2hnb n GLY 118 Ca -0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 0.35 0.61 1.61 2.12 -1.26 -4.98 118.70 117.14 2hnb s GLU 119 Ca 0.00 -0.63 -0.19 0.00 0.36 0.00 0.00 54.97 54.51 2hnb s GLU 119 Cb 0.00 0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.49 2hnb s GLU 119 CO 0.00 -0.06 1.25 0.99 -0.54 0.00 0.00 175.26 176.90 2hnb s THR 120 N -1.62 2.38 0.05 -1.70 2.01 -1.26 -4.94 115.64 110.56 2hnb s THR 120 Ca -0.14 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.14 2hnb s THR 120 Cb -0.09 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 2hnb s THR 120 CO -0.01 -0.05 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.54 2hnb s LEU 121 N -4.11 2.22 -0.03 4.42 2.96 -1.24 -5.06 118.68 117.85 2hnb s LEU 121 Ca 0.79 -0.50 0.08 0.00 -0.22 0.00 0.00 54.13 54.27 2hnb s LEU 121 Cb -0.34 -0.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.94 2hnb s LEU 121 CO 0.36 -0.08 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.52 2hnb s LYS 122 N -1.37 2.17 -0.21 1.98 3.01 -1.26 -0.75 119.74 123.32 2hnb s LYS 122 Ca -0.03 -0.92 -0.04 0.00 -1.01 0.00 0.00 55.97 53.96 2hnb s LYS 122 Cb -0.09 -2.05 0.07 0.00 -1.01 0.00 0.00 37.83 34.75 2hnb s LYS 122 CO 0.01 0.53 0.08 0.42 0.51 0.00 0.00 175.35 176.91 2hnb s ILE 123 N -0.54 0.14 0.35 2.17 1.01 -0.29 -4.97 121.20 119.07 2hnb s ILE 123 Ca 0.08 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 2hnb s ILE 123 Cb -0.11 -0.85 -0.10 0.00 0.01 0.00 0.00 42.46 41.42 2hnb s ILE 123 CO -0.00 -0.38 1.27 0.21 0.00 0.00 0.00 174.94 176.04 2hnb s ASN 124 N 2.02 6.66 0.00 3.58 2.47 -1.26 -2.19 114.94 126.23 2hnb s ASN 124 Ca 0.03 2.61 0.00 0.00 0.42 0.00 0.00 52.86 55.92 2hnb s ASN 124 Cb -0.16 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.00 2hnb s ASN 124 CO -0.16 -0.60 0.02 2.30 -3.72 0.00 0.00 177.10 174.94 2hnb n ILE 125 N 0.58 0.00 -2.22 -5.21 -5.35 -0.33 -4.76 119.36 102.08 2hnb n ILE 125 Ca 0.01 -0.45 -0.43 0.00 -0.27 0.00 0.00 62.75 61.62 2hnb n ILE 125 Cb 0.43 1.00 -0.02 0.00 -1.74 0.00 0.00 39.64 39.31 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 -1.73 3.91 -1.46 7.28 2.96 -1.26 -2.68 118.68 125.71 2hnb s LEU 126 Ca 0.00 1.51 -0.02 0.00 -0.22 0.00 0.00 54.13 55.40 2hnb s LEU 126 Cb 0.00 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.16 2hnb s LEU 126 CO 0.00 -1.17 0.18 -0.67 -1.32 0.00 0.00 176.35 173.36 2hnb n ASP 127 N 8.08 -5.10 -4.27 3.68 2.03 -1.26 -4.85 116.55 114.87 2hnb n ASP 127 Ca 0.17 -0.04 -0.19 0.00 0.52 0.00 0.00 54.79 55.25 2hnb n ASP 127 Cb 0.46 -4.23 -0.11 0.00 -0.72 0.00 0.00 41.12 36.51 2hnb n ASP 127 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2hnb s HIS 128 N -2.92 1.50 0.00 -0.67 3.76 -1.09 -5.06 115.29 110.81 2hnb s HIS 128 Ca 0.10 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 2hnb s HIS 128 Cb -0.05 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 32.87 2hnb s HIS 128 CO 0.13 0.19 0.56 -3.47 -0.85 0.00 0.00 174.74 171.30 2hnb n ASP 129 N 0.42 0.00 -3.95 1.40 2.03 -1.26 -4.80 116.55 110.38 2hnb n ASP 129 Ca -0.14 -1.23 -0.31 0.00 0.52 0.00 0.00 54.79 53.62 2hnb n ASP 129 Cb 0.57 -0.05 -0.02 0.00 -0.72 0.00 0.00 41.12 40.91 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 -1.52 0.24 5.18 -5.35 -1.26 -4.86 119.36 111.79 2hnb n ILE 130 Ca 0.00 -0.42 0.10 0.00 -0.27 0.00 0.00 62.75 62.16 2hnb n ILE 130 Cb 0.55 -1.33 0.62 0.00 -1.74 0.00 0.00 39.64 37.73 2hnb n ILE 130 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2hnb h PRO 131 N -1.17 0.00 0.00 6.28 0.13 -2.03 -0.10 132.00 135.11 2hnb h PRO 131 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2hnb h PRO 131 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2hnb h PRO 131 CO 0.44 0.17 0.00 -1.91 -0.23 0.00 0.00 178.00 176.47 2hnb n GLU 132 N -3.79 0.21 -4.08 0.86 4.07 -1.26 -4.96 120.64 111.68 2hnb n GLU 132 Ca -0.02 0.04 -0.40 0.00 -0.06 0.00 0.00 57.16 56.73 2hnb n GLU 132 Cb 0.28 -1.50 -0.00 0.00 -0.06 0.00 0.00 31.44 30.15 2hnb n GLU 132 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2hnb n ASP 133 N -1.38 -2.71 0.22 4.31 2.03 -0.05 -4.86 116.55 114.11 2hnb n ASP 133 Ca 0.10 -1.18 0.18 0.00 0.52 0.00 0.00 54.79 54.41 2hnb n ASP 133 Cb 0.25 -1.42 0.86 0.00 -0.72 0.00 0.00 41.12 40.09 2hnb n ASP 133 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2hnb h PRO 134 N -1.97 0.00 -0.72 -0.67 0.11 -1.93 -1.16 132.00 125.66 2hnb h PRO 134 Ca -0.63 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.61 2hnb h PRO 134 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 2hnb h PRO 134 CO 0.50 0.00 0.48 0.00 -0.21 0.00 0.00 178.00 178.77 2hnb h ALA 135 N 1.68 2.08 -0.78 -0.75 0.00 -1.96 -1.25 119.26 118.28 2hnb h ALA 135 Ca 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2hnb h ALA 135 Cb 0.56 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2hnb h ALA 135 CO -0.00 -0.27 0.38 1.49 0.00 0.00 0.00 179.25 180.85 2hnb h GLU 136 N 0.42 1.11 0.00 0.00 4.81 -1.56 -1.34 114.58 118.03 2hnb h GLU 136 Ca 0.35 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2hnb h GLU 136 Cb 0.77 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2hnb h GLU 136 CO -0.11 0.85 -0.10 1.49 -0.73 0.00 0.00 179.01 180.42 2hnb h GLU 137 N 1.11 0.06 -0.23 1.92 4.57 -1.43 -3.33 114.58 117.25 2hnb h GLU 137 Ca 0.27 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.32 2hnb h GLU 137 Cb 0.10 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2hnb h GLU 137 CO -0.04 0.86 -0.11 2.35 -1.18 0.00 0.00 179.01 180.89 2hnb h TRP 138 N -0.70 0.38 -0.31 0.92 2.91 -1.26 -1.39 115.95 116.50 2hnb h TRP 138 Ca -0.01 -0.05 0.09 0.00 1.13 0.00 0.00 58.89 60.05 2hnb h TRP 138 Cb 0.89 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.42 2hnb h TRP 138 CO 0.20 0.47 0.23 1.25 -1.03 0.00 0.00 178.44 179.55 2hnb h LEU 139 N 0.34 0.02 -0.61 0.65 5.85 -1.35 -1.61 115.31 118.60 2hnb h LEU 139 Ca 0.07 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2hnb h LEU 139 Cb 0.40 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 2hnb h LEU 139 CO 0.02 0.01 0.23 1.23 -0.34 0.00 0.00 178.44 179.59 2hnb h GLY 140 N 0.02 0.85 1.93 3.75 0.00 -1.35 0.01 103.07 108.27 2hnb h GLY 140 Ca 0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 2hnb h GLY 140 CO -0.00 -0.02 -0.32 1.76 0.00 0.00 0.00 176.54 177.96 2hnb h SER 141 N 0.41 0.08 0.05 0.19 0.02 -1.43 -1.34 113.55 111.53 2hnb h SER 141 Ca 0.30 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2hnb h SER 141 Cb 0.37 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2hnb h SER 141 CO -0.30 0.40 -0.02 -0.25 -1.14 0.00 0.00 176.83 175.51 2hnb h TRP 142 N 0.07 -0.06 -0.04 3.45 7.01 -1.09 -3.20 115.95 122.09 2hnb h TRP 142 Ca 0.01 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.94 2hnb h TRP 142 Cb 0.60 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 2hnb h TRP 142 CO 0.00 0.51 -0.31 -0.39 -2.79 0.00 0.00 178.44 175.47 2hnb h VAL 143 N -0.70 1.24 0.00 2.65 -1.51 -1.01 -1.21 116.25 115.71 2hnb h VAL 143 Ca -0.01 -1.12 -0.00 0.00 -1.23 0.00 0.00 66.70 64.34 2hnb h VAL 143 Cb 0.60 1.55 -0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2hnb h VAL 143 CO 0.01 0.33 -0.00 -1.13 -1.23 0.00 0.00 177.57 175.54 2hnb h ASN 144 N 0.06 0.00 0.00 4.19 -0.73 -1.27 -0.72 115.58 117.11 2hnb h ASN 144 Ca 0.01 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 57.85 2hnb h ASN 144 Cb 0.58 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.11 2hnb h ASN 144 CO 0.04 0.00 -2.24 0.18 -0.37 0.00 0.00 177.43 175.04 2hnb n LEU 145 N -3.26 1.77 -0.03 0.34 4.77 -0.76 -4.59 117.00 115.24 2hnb n LEU 145 Ca -0.03 -0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.83 2hnb n LEU 145 Cb 0.09 -0.29 0.15 0.00 -2.33 0.00 0.00 43.42 41.04 2hnb n LEU 145 CO 0.22 0.70 0.71 0.17 -1.33 0.00 0.00 177.39 177.86 2hnb h LEU 146 N 0.00 0.60 0.00 2.23 8.10 -0.95 -3.48 115.31 121.81 2hnb h LEU 146 Ca -0.49 -0.21 0.00 0.00 0.11 0.00 0.00 57.88 57.29 2hnb h LEU 146 Cb 1.90 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 41.95 2hnb h LEU 146 CO -0.04 0.84 0.00 0.29 -4.11 0.00 0.00 178.44 175.43