#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khn n GLY 2 N 0.00 2.40 2.83 3.03 0.00 -1.26 -4.82 105.19 107.37 2khn n GLY 2 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2khn n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2khn s HIS 3 N 6.06 2.49 -0.34 1.61 3.76 -1.26 -5.09 115.29 122.52 2khn s HIS 3 Ca 0.57 -2.36 -0.24 0.00 -0.15 0.00 0.00 55.06 52.89 2khn s HIS 3 Cb 0.05 -2.20 0.01 0.00 1.11 0.00 0.00 32.58 31.55 2khn s HIS 3 CO 0.08 -0.87 0.81 -1.58 -0.85 0.00 0.00 174.74 172.33 2khn s HIS 4 N 1.02 3.14 0.49 1.40 5.04 -1.26 -4.92 115.29 120.21 2khn s HIS 4 Ca 0.12 0.70 0.32 0.00 -1.54 0.00 0.00 55.06 54.66 2khn s HIS 4 Cb -0.20 -3.37 1.73 0.00 0.04 0.00 0.00 32.58 30.78 2khn s HIS 4 CO -0.13 -0.68 2.18 1.25 -2.34 0.00 0.00 174.74 175.01 2khn h HIS 5 N 8.33 0.00 -4.88 3.88 -0.00 -2.01 -3.47 115.15 117.00 2khn h HIS 5 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.13 2khn h HIS 5 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 2khn h HIS 5 CO 0.79 0.05 -0.27 1.58 -0.00 0.00 0.00 177.93 180.09 2khn n HIS 6 N -3.57 -2.70 0.19 5.26 -0.00 -1.26 -4.92 115.22 108.22 2khn n HIS 6 Ca -0.02 1.07 0.05 0.00 0.46 0.00 0.00 57.72 59.27 2khn n HIS 6 Cb 0.16 -3.62 0.39 0.00 -0.12 0.00 0.00 29.99 26.81 2khn n HIS 6 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2khn h HIS 7 N 1.19 0.00 -4.65 1.57 6.17 -2.04 -3.48 115.15 113.92 2khn h HIS 7 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2khn h HIS 7 Cb 0.88 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.79 2khn h HIS 7 CO 0.11 0.36 -0.87 1.58 0.71 0.00 0.00 177.93 179.81 2khn n HIS 8 N -3.82 -3.23 -1.52 5.26 -0.00 -1.26 -4.76 115.22 105.89 2khn n HIS 8 Ca -0.01 1.53 -0.41 0.00 0.46 0.00 0.00 57.72 59.28 2khn n HIS 8 Cb 0.43 -3.47 -0.06 0.00 -0.12 0.00 0.00 29.99 26.77 2khn n HIS 8 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2khn n SER 9 N 0.70 2.02 -4.21 0.26 7.64 -1.26 -4.89 113.62 113.89 2khn n SER 9 Ca -0.07 -0.08 -0.41 0.00 1.01 0.00 0.00 58.87 59.32 2khn n SER 9 Cb 0.10 -1.39 -0.08 0.00 -1.01 0.00 0.00 64.21 61.84 2khn n SER 9 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2khn s HIS 10 N 10.02 3.47 0.07 1.43 2.46 -1.26 -5.05 115.29 126.42 2khn s HIS 10 Ca 1.08 -2.01 0.06 0.00 0.47 0.00 0.00 55.06 54.66 2khn s HIS 10 Cb -0.55 -3.51 -0.03 0.00 -0.13 0.00 0.00 32.58 28.36 2khn s HIS 10 CO 0.37 -0.97 -0.17 0.00 -2.47 0.00 0.00 174.74 171.50 2khn s MET 11 N 0.97 1.00 0.00 2.88 0.00 -1.26 -5.02 119.30 117.87 2khn s MET 11 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 55.69 54.82 2khn s MET 11 Cb -0.23 -1.09 0.00 0.00 0.00 0.00 0.00 34.83 33.51 2khn s MET 11 CO -0.02 0.26 0.09 0.00 0.00 0.00 0.00 175.02 175.35 2khn n ALA 12 N 1.45 0.76 -2.72 3.16 0.00 -1.26 -5.06 120.51 116.84 2khn n ALA 12 Ca -0.19 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.79 2khn n ALA 12 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 2khn n ALA 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2khn s GLN 13 N -0.15 4.00 0.02 0.00 0.74 -1.26 -5.08 119.66 117.93 2khn s GLN 13 Ca 0.00 0.05 -0.12 0.00 0.05 0.00 0.00 55.36 55.34 2khn s GLN 13 Cb 0.00 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.79 2khn s GLN 13 CO 0.00 0.45 0.26 -0.59 -0.55 0.00 0.00 175.29 174.85 2khn s PHE 14 N -0.15 -0.07 0.18 1.67 -0.12 -1.26 -5.13 117.98 113.11 2khn s PHE 14 Ca 0.16 -0.02 -0.32 0.00 -0.05 0.00 0.00 56.93 56.70 2khn s PHE 14 Cb -0.13 0.04 -0.11 0.00 -0.63 0.00 0.00 43.02 42.19 2khn s PHE 14 CO 0.05 -0.42 1.72 -1.25 -0.05 0.00 0.00 175.22 175.26 2khn s PRO 15 N -2.04 4.14 0.24 1.99 0.04 -1.26 -4.99 135.00 133.12 2khn s PRO 15 Ca -0.09 2.56 -0.19 0.00 0.04 0.00 0.00 61.00 63.32 2khn s PRO 15 Cb -0.03 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 2khn s PRO 15 CO -0.01 -0.75 0.73 -0.08 0.04 0.00 0.00 177.00 176.94 2khn s THR 16 N 1.50 4.58 0.15 1.26 -1.32 -1.26 -5.01 115.64 115.53 2khn s THR 16 Ca 0.75 1.25 -0.31 0.00 -1.21 0.00 0.00 61.69 62.17 2khn s THR 16 Cb -0.48 -3.83 -0.11 0.00 -1.51 0.00 0.00 72.50 66.57 2khn s THR 16 CO 0.33 0.16 1.81 -2.16 -2.21 0.00 0.00 174.62 172.55 2khn s PRO 17 N -2.10 4.13 0.49 7.08 0.04 -1.26 -5.00 135.00 138.38 2khn s PRO 17 Ca 0.45 2.61 0.02 0.00 0.04 0.00 0.00 61.00 64.11 2khn s PRO 17 Cb -0.16 -3.48 -0.01 0.00 0.04 0.00 0.00 34.50 30.89 2khn s PRO 17 CO 0.21 -0.83 0.03 -0.59 0.04 0.00 0.00 177.00 175.85 2khn s PHE 18 N 2.39 1.84 0.28 0.56 -0.71 -1.26 -5.10 117.98 115.97 2khn s PHE 18 Ca 0.80 -1.02 -0.30 0.00 -1.04 0.00 0.00 56.93 55.36 2khn s PHE 18 Cb -0.47 -1.53 -0.11 0.00 -1.21 0.00 0.00 43.02 39.71 2khn s PHE 18 CO 0.36 0.13 1.53 0.20 -1.34 0.00 0.00 175.22 176.09 2khn s GLY 19 N -3.83 2.21 -0.05 1.99 0.00 -1.26 -5.01 107.32 101.37 2khn s GLY 19 Ca 0.08 1.48 0.02 0.00 0.00 0.00 0.00 44.72 46.30 2khn s GLY 19 CO 0.05 2.44 -0.09 -0.32 0.00 0.00 0.00 173.10 175.17 2khn s GLY 20 N 0.42 0.64 0.93 0.20 0.00 -1.26 -5.15 107.32 103.11 2khn s GLY 20 Ca 0.61 -0.29 -0.14 0.00 0.00 0.00 0.00 44.72 44.91 2khn s GLY 20 CO 0.47 0.16 1.27 1.44 0.00 0.00 0.00 173.10 176.43 2khn n SER 21 N 3.76 0.33 -4.80 1.64 7.64 -1.26 -5.06 113.62 115.87 2khn n SER 21 Ca -0.23 -1.60 -0.38 0.00 1.01 0.00 0.00 58.87 57.66 2khn n SER 21 Cb 0.52 -0.95 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 2khn n SER 21 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2khn s LEU 22 N 0.00 4.49 -0.04 -3.43 1.02 -1.26 -5.06 118.68 114.40 2khn s LEU 22 Ca 0.74 1.16 -0.29 0.00 0.02 0.00 0.00 54.13 55.76 2khn s LEU 22 Cb -0.02 -2.83 0.10 0.00 0.02 0.00 0.00 46.19 43.46 2khn s LEU 22 CO 0.51 0.25 0.83 -0.62 0.02 0.00 0.00 176.35 177.34 2khn s ASP 23 N -0.88 -0.46 0.00 2.29 2.15 -1.26 -5.06 116.67 113.45 2khn s ASP 23 Ca 0.28 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.55 2khn s ASP 23 Cb -0.19 0.42 0.00 0.00 -0.30 0.00 0.00 42.92 42.86 2khn s ASP 23 CO 0.17 -0.58 0.00 0.41 -0.17 0.00 0.00 175.17 175.00 2khn n THR 24 N 0.30 0.00 0.13 1.71 -1.04 -1.26 -4.93 114.28 109.20 2khn n THR 24 Ca -0.13 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.92 2khn n THR 24 Cb 0.60 -0.11 -0.06 0.00 -1.82 0.00 0.00 70.33 68.94 2khn n THR 24 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2khn n TRP 25 N -1.34 0.00 -2.07 -1.42 5.03 -1.26 -5.01 117.44 111.37 2khn n TRP 25 Ca 0.00 0.00 -0.29 0.00 3.03 0.00 0.00 57.50 60.24 2khn n TRP 25 Cb 0.08 -0.12 0.04 0.00 -1.03 0.00 0.00 31.31 30.29 2khn n TRP 25 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2khn s ALA 26 N -2.26 3.04 -0.46 6.99 0.00 -1.26 -3.99 121.76 123.83 2khn s ALA 26 Ca -0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 2khn s ALA 26 Cb 0.05 -2.88 0.12 0.00 0.00 0.00 0.00 23.12 20.42 2khn s ALA 26 CO 0.33 -1.02 0.24 0.42 0.00 0.00 0.00 175.76 175.73 2khn s ILE 27 N -3.23 3.10 0.85 0.00 1.01 -1.26 -5.03 121.20 116.64 2khn s ILE 27 Ca 0.57 -2.50 -0.12 0.00 0.00 0.00 0.00 60.65 58.60 2khn s ILE 27 Cb -0.11 -3.12 0.10 0.00 0.01 0.00 0.00 42.46 39.34 2khn s ILE 27 CO 0.49 -0.73 1.11 -0.89 0.00 0.00 0.00 174.94 174.92 2khn s THR 28 N 0.62 2.63 0.36 2.92 2.01 -1.26 -4.71 115.64 118.21 2khn s THR 28 Ca 0.12 0.20 0.14 0.00 0.31 0.00 0.00 61.69 62.47 2khn s THR 28 Cb -0.22 -2.94 0.36 0.00 0.01 0.00 0.00 72.50 69.71 2khn s THR 28 CO -0.04 -0.27 1.75 1.62 -0.69 0.00 0.00 174.62 176.99 2khn h VAL 29 N -1.27 0.53 0.48 3.82 3.04 -1.98 0.16 116.25 121.03 2khn h VAL 29 Ca -0.49 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.02 2khn h VAL 29 Cb 1.29 0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2khn h VAL 29 CO 0.60 0.09 -0.27 -0.33 -1.01 0.00 0.00 177.57 176.64 2khn h GLU 30 N 0.48 -0.69 -0.33 4.17 4.39 -1.98 0.20 114.58 120.82 2khn h GLU 30 Ca 0.62 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.33 2khn h GLU 30 Cb 1.39 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 30.18 2khn h GLU 30 CO -0.38 -0.46 0.06 0.93 -1.16 0.00 0.00 179.01 178.01 2khn h GLU 31 N -0.71 0.49 -0.57 2.33 4.39 -1.47 0.39 114.58 119.43 2khn h GLU 31 Ca -0.06 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 2khn h GLU 31 Cb 0.57 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2khn h GLU 31 CO 0.07 0.47 -0.07 -0.09 -1.16 0.00 0.00 179.01 178.24 2khn h ARG 32 N 0.48 1.06 0.06 2.33 9.65 -0.47 -3.10 114.38 124.39 2khn h ARG 32 Ca 0.11 -0.37 -0.24 0.00 -1.10 0.00 0.00 59.98 58.39 2khn h ARG 32 Cb 0.22 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2khn h ARG 32 CO -0.00 1.07 -1.07 0.00 2.80 0.00 0.00 179.97 182.77 2khn h ALA 33 N 0.96 0.28 -0.18 2.80 0.00 0.21 -3.29 119.26 120.04 2khn h ALA 33 Ca 0.15 -0.83 0.05 0.00 0.00 0.00 0.00 54.91 54.28 2khn h ALA 33 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2khn h ALA 33 CO 0.04 1.01 0.15 0.87 0.00 0.00 0.00 179.25 181.32 2khn h LYS 34 N 0.08 0.00 0.00 0.00 1.79 -0.18 -1.83 116.57 116.43 2khn h LYS 34 Ca -0.08 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2khn h LYS 34 Cb 1.78 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.42 2khn h LYS 34 CO 0.17 0.00 -0.09 1.12 -1.08 0.00 0.00 179.45 179.56 2khn h HIS 35 N 0.00 0.00 -0.01 -1.35 2.07 -1.62 -0.19 115.15 114.04 2khn h HIS 35 Ca 0.08 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.59 2khn h HIS 35 Cb 0.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.36 2khn h HIS 35 CO 0.00 0.09 -0.04 0.22 -3.07 0.00 0.00 177.93 175.13 2khn h ASP 36 N 0.00 0.06 -0.42 3.10 3.58 -1.56 0.01 116.42 121.19 2khn h ASP 36 Ca -0.00 -0.62 -0.03 0.00 0.42 0.00 0.00 57.03 56.80 2khn h ASP 36 Cb 0.22 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2khn h ASP 36 CO 0.01 0.67 0.18 1.56 -2.88 0.00 0.00 179.24 178.79 2khn h GLN 37 N -0.55 0.68 0.04 0.28 4.20 -1.47 -1.03 115.11 117.26 2khn h GLN 37 Ca -0.00 -0.10 -0.28 0.00 0.06 0.00 0.00 58.65 58.34 2khn h GLN 37 Cb 0.67 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 28.34 2khn h GLN 37 CO 0.01 0.57 -1.11 1.96 -0.67 0.00 0.00 178.83 179.58 2khn h GLN 38 N 0.67 0.64 -0.67 1.46 1.08 -1.10 -3.23 115.11 113.96 2khn h GLN 38 Ca 0.16 -0.75 0.05 0.00 -1.45 0.00 0.00 58.65 56.66 2khn h GLN 38 Cb 0.14 0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 2khn h GLN 38 CO -0.02 1.33 0.44 0.35 -0.95 0.00 0.00 178.83 179.98 2khn h PHE 39 N 0.33 0.74 -0.85 2.96 3.04 -0.45 -1.61 116.94 121.10 2khn h PHE 39 Ca -0.15 0.02 0.10 0.00 3.98 0.00 0.00 57.97 61.92 2khn h PHE 39 Cb 1.77 -0.25 -0.06 0.00 2.56 0.00 0.00 35.95 39.97 2khn h PHE 39 CO 0.10 0.41 0.55 1.25 -2.02 0.00 0.00 178.31 178.61 2khn h HIS 40 N 0.75 0.86 0.00 0.41 2.76 -1.22 -0.76 115.15 117.95 2khn h HIS 40 Ca 0.28 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2khn h HIS 40 Cb 0.16 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.84 2khn h HIS 40 CO -0.00 0.39 0.00 0.77 -1.30 0.00 0.00 177.93 177.79 2khn h SER 41 N 0.79 0.00 0.80 3.26 0.02 -1.40 -3.04 113.55 113.98 2khn h SER 41 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2khn h SER 41 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2khn h SER 41 CO -0.16 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.71 2khn n LEU 42 N -2.81 0.18 -3.13 5.07 7.99 -0.29 -4.93 117.00 119.08 2khn n LEU 42 Ca 0.03 0.53 -0.06 0.00 -0.01 0.00 0.00 56.01 56.51 2khn n LEU 42 Cb 0.41 -0.49 0.03 0.00 -0.11 0.00 0.00 43.42 43.26 2khn n LEU 42 CO 0.30 -0.20 0.23 0.29 -1.51 0.00 0.00 177.39 176.49 2khn n LYS 43 N -1.69 -1.66 -1.71 3.23 4.01 -1.15 -4.89 118.16 114.30 2khn n LYS 43 Ca 0.05 1.26 -0.43 0.00 -0.51 0.00 0.00 58.31 58.68 2khn n LYS 43 Cb 0.26 -5.79 -0.03 0.00 -0.51 0.00 0.00 35.03 28.96 2khn n LYS 43 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2khn n PRO 44 N -2.31 2.70 -3.28 1.97 -0.04 -1.26 -4.96 135.00 127.81 2khn n PRO 44 Ca -0.03 0.98 -0.40 0.00 -0.04 0.00 0.00 63.50 64.01 2khn n PRO 44 Cb 0.54 -2.82 -0.08 0.00 -0.04 0.00 0.00 33.50 31.10 2khn n PRO 44 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2khn s ILE 45 N 1.40 5.10 0.00 0.52 2.07 0.75 -4.71 121.20 126.33 2khn s ILE 45 Ca 0.77 0.78 0.00 0.00 -1.41 0.00 0.00 60.65 60.79 2khn s ILE 45 Cb -0.52 -3.79 0.00 0.00 0.13 0.00 0.00 42.46 38.28 2khn s ILE 45 CO 0.34 0.11 0.00 -1.20 -1.91 0.00 0.00 174.94 172.27 2khn n SER 46 N 5.48 0.00 -0.60 4.50 7.64 -1.26 -1.49 113.62 127.89 2khn n SER 46 Ca -0.05 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.82 2khn n SER 46 Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 2khn n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2khn n GLY 47 N 0.00 0.81 3.25 0.23 0.00 -1.26 -5.13 105.19 103.09 2khn n GLY 47 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 2khn n GLY 47 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2khn n PHE 48 N 0.02 -1.47 -4.59 1.61 1.16 -0.56 -5.01 117.46 108.62 2khn n PHE 48 Ca -0.02 -2.21 -0.28 0.00 -1.87 0.00 0.00 57.45 53.06 2khn n PHE 48 Cb 0.61 0.55 -0.08 0.00 -1.61 0.00 0.00 39.48 38.95 2khn n PHE 48 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 2khn s ILE 49 N -2.75 0.76 0.40 1.97 -0.00 -1.26 -0.18 121.20 120.14 2khn s ILE 49 Ca 0.27 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.94 2khn s ILE 49 Cb -0.01 -2.28 -0.01 0.00 -0.00 0.00 0.00 42.46 40.16 2khn s ILE 49 CO 0.19 0.00 0.08 0.35 -0.00 0.00 0.00 174.94 175.57 2khn n THR 50 N -1.03 0.00 -0.12 8.37 -2.24 -1.26 -4.88 114.28 113.11 2khn n THR 50 Ca -0.10 -2.16 -0.12 0.00 -2.27 0.00 0.00 64.05 59.39 2khn n THR 50 Cb 0.65 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 2khn n THR 50 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2khn h GLY 51 N 1.34 0.92 1.01 3.38 0.00 -1.72 -1.90 103.07 106.11 2khn h GLY 51 Ca -0.32 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.11 2khn h GLY 51 CO 0.52 0.80 0.40 -1.80 0.00 0.00 0.00 176.54 176.47 2khn h ASP 52 N 0.65 0.91 -0.39 0.19 3.58 -1.94 0.15 116.42 119.57 2khn h ASP 52 Ca 0.07 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2khn h ASP 52 Cb 0.84 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2khn h ASP 52 CO 0.07 0.75 0.21 1.56 -2.88 0.00 0.00 179.24 178.94 2khn h GLN 53 N 1.01 0.55 0.53 0.28 1.08 -1.89 -0.43 115.11 116.23 2khn h GLN 53 Ca 0.26 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 2khn h GLN 53 Cb 0.03 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2khn h GLN 53 CO -0.04 0.45 -0.25 0.00 -0.95 0.00 0.00 178.83 178.04 2khn h ALA 54 N 1.06 -0.71 -0.39 3.87 0.00 -0.85 -0.77 119.26 121.47 2khn h ALA 54 Ca 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2khn h ALA 54 Cb 0.07 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2khn h ALA 54 CO -0.02 -0.89 0.06 -0.09 0.00 0.00 0.00 179.25 178.30 2khn h ARG 55 N -0.72 0.59 -0.14 0.00 1.12 -0.95 -1.55 114.38 112.74 2khn h ARG 55 Ca -0.07 -0.11 -0.01 0.00 -1.11 0.00 0.00 59.98 58.67 2khn h ARG 55 Cb 0.55 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.41 2khn h ARG 55 CO 0.12 0.57 0.03 -0.97 -3.11 0.00 0.00 179.97 176.61 2khn h ASN 56 N 0.57 0.21 -0.50 -3.80 -1.24 -0.91 -2.50 115.58 107.41 2khn h ASN 56 Ca 0.13 -0.23 -0.00 0.00 0.71 0.00 0.00 56.30 56.91 2khn h ASN 56 Cb 0.28 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 2khn h ASN 56 CO 0.00 0.38 0.31 0.15 -1.29 0.00 0.00 177.43 176.98 2khn h PHE 57 N 0.02 0.65 -0.55 0.67 3.57 -0.61 0.22 116.94 120.92 2khn h PHE 57 Ca 0.04 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.62 2khn h PHE 57 Cb 0.26 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 2khn h PHE 57 CO 0.01 0.44 0.22 0.74 -2.23 0.00 0.00 178.31 177.49 2khn h PHE 58 N 0.67 0.39 -0.06 0.41 0.04 -1.29 -0.54 116.94 116.57 2khn h PHE 58 Ca 0.18 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.85 2khn h PHE 58 Cb -0.03 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2khn h PHE 58 CO -0.03 0.14 -0.52 0.35 -0.60 0.00 0.00 178.31 177.65 2khn h PHE 59 N 0.42 0.21 0.00 -0.55 3.57 -0.94 -2.37 116.94 117.29 2khn h PHE 59 Ca 0.26 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2khn h PHE 59 Cb 0.27 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2khn h PHE 59 CO -0.15 0.66 -0.27 0.37 -2.23 0.00 0.00 178.31 176.69 2khn h GLN 60 N 0.14 0.00 0.00 1.11 -0.00 0.29 -2.36 115.11 114.29 2khn h GLN 60 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 2khn h GLN 60 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.44 2khn h GLN 60 CO 0.08 0.27 -0.28 0.77 0.00 0.00 0.00 178.83 179.66 2khn h SER 61 N 0.00 0.00 0.00 -0.69 0.02 -0.57 -3.47 113.55 108.84 2khn h SER 61 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2khn h SER 61 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2khn h SER 61 CO 0.04 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 2khn n GLY 62 N -0.64 1.07 3.82 -3.77 0.00 -0.89 -5.10 105.19 99.67 2khn n GLY 62 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2khn n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2khn s LEU 63 N 0.00 4.32 0.74 0.99 1.43 -1.25 -5.05 118.68 119.85 2khn s LEU 63 Ca 0.00 1.37 -0.15 0.00 -1.03 0.00 0.00 54.13 54.33 2khn s LEU 63 Cb 0.00 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.68 2khn s LEU 63 CO 0.00 0.03 1.20 -2.16 0.23 0.00 0.00 176.35 175.65 2khn s PRO 64 N -2.03 2.11 0.14 1.29 0.04 -1.26 -4.66 135.00 130.62 2khn s PRO 64 Ca 0.43 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 2khn s PRO 64 Cb -0.16 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2khn s PRO 64 CO 0.21 -1.86 1.71 0.37 0.04 0.00 0.00 177.00 177.47 2khn h GLN 65 N -0.35 0.08 -0.73 4.56 4.15 -1.98 0.51 115.11 121.36 2khn h GLN 65 Ca -0.47 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.06 2khn h GLN 65 Cb 1.29 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.92 2khn h GLN 65 CO 0.49 0.06 0.48 -1.00 -1.93 0.00 0.00 178.83 176.94 2khn h PRO 66 N 0.09 0.49 -0.07 -2.39 0.13 -1.99 0.17 132.00 128.43 2khn h PRO 66 Ca 0.13 -0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 65.02 2khn h PRO 66 Cb 0.17 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2khn h PRO 66 CO -0.22 0.32 -0.82 0.28 -0.23 0.00 0.00 178.00 177.33 2khn h VAL 67 N 0.50 1.36 0.03 1.56 2.07 -1.58 -1.70 116.25 118.48 2khn h VAL 67 Ca 0.35 -2.20 -0.00 0.00 0.82 0.00 0.00 66.70 65.67 2khn h VAL 67 Cb 0.67 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2khn h VAL 67 CO -0.12 0.67 -0.01 -0.07 0.02 0.00 0.00 177.57 178.06 2khn h LEU 68 N 0.33 -0.03 -0.92 2.57 3.38 0.50 -1.64 115.31 119.51 2khn h LEU 68 Ca -0.06 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.88 2khn h LEU 68 Cb 1.43 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 2khn h LEU 68 CO 0.15 0.08 0.58 0.00 0.09 0.00 0.00 178.44 179.34 2khn h ALA 69 N 0.83 1.27 -0.42 1.53 0.00 -0.74 0.21 119.26 121.94 2khn h ALA 69 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2khn h ALA 69 Cb 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2khn h ALA 69 CO 0.01 0.33 0.19 0.37 0.00 0.00 0.00 179.25 180.14 2khn h GLN 70 N 1.04 0.38 -0.09 0.00 -0.00 -1.03 0.49 115.11 115.89 2khn h GLN 70 Ca 0.40 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 59.02 2khn h GLN 70 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 27.58 2khn h GLN 70 CO -0.18 0.25 0.03 0.82 0.00 0.00 0.00 178.83 179.75 2khn h ILE 71 N 0.39 1.18 -0.59 2.39 2.04 -0.36 -2.41 117.51 120.15 2khn h ILE 71 Ca 0.18 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 2khn h ILE 71 Cb 0.11 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2khn h ILE 71 CO -0.15 0.16 0.03 -0.25 0.00 0.00 0.00 178.15 177.94 2khn h TRP 72 N -0.04 1.11 -0.01 1.37 7.01 -0.69 0.21 115.95 124.91 2khn h TRP 72 Ca 0.03 -0.18 -0.06 0.00 2.11 0.00 0.00 58.89 60.79 2khn h TRP 72 Cb 0.22 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 2khn h TRP 72 CO -0.00 0.98 -0.28 0.00 -2.79 0.00 0.00 178.44 176.34 2khn h ALA 73 N 0.99 1.51 0.07 2.65 0.00 -0.00 0.52 119.26 125.00 2khn h ALA 73 Ca 0.17 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2khn h ALA 73 Cb 0.52 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2khn h ALA 73 CO 0.02 0.37 -0.46 -0.07 0.00 0.00 0.00 179.25 179.11 2khn h LEU 74 N 0.01 0.28 0.00 0.00 3.38 -1.07 -3.39 115.31 114.53 2khn h LEU 74 Ca -0.00 -0.95 -0.00 0.00 0.09 0.00 0.00 57.88 57.02 2khn h LEU 74 Cb 0.51 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2khn h LEU 74 CO 0.04 1.20 -0.00 0.00 0.09 0.00 0.00 178.44 179.77 2khn h ALA 75 N 0.08 -0.00 -0.81 1.53 0.00 -0.28 -3.32 119.26 116.46 2khn h ALA 75 Ca -0.08 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.13 2khn h ALA 75 Cb 1.34 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 2khn h ALA 75 CO 0.09 -0.39 1.86 0.34 0.00 0.00 0.00 179.25 181.14 2khn s ASP 76 N -5.42 6.39 0.50 0.00 -1.08 0.14 -4.64 116.67 112.56 2khn s ASP 76 Ca -0.14 -2.12 0.15 0.00 -0.52 0.00 0.00 52.55 49.91 2khn s ASP 76 Cb 0.04 -2.58 1.18 0.00 -1.46 0.00 0.00 42.92 40.10 2khn s ASP 76 CO 0.67 -1.64 2.10 0.24 0.52 0.00 0.00 175.17 177.06 2khn h MET 77 N 8.37 0.02 0.00 4.34 2.86 -1.83 -0.42 114.93 128.27 2khn h MET 77 Ca 0.36 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 2khn h MET 77 Cb 0.90 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 2khn h MET 77 CO 1.40 0.07 -0.52 0.09 1.06 0.00 0.00 176.91 179.01 2khn n ASN 78 N -4.48 0.51 -3.79 1.22 3.02 -1.26 -4.95 115.26 105.54 2khn n ASN 78 Ca -0.03 -0.19 -0.24 0.00 -0.03 0.00 0.00 54.58 54.09 2khn n ASN 78 Cb 0.13 0.24 0.02 0.00 -0.61 0.00 0.00 39.78 39.57 2khn n ASN 78 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2khn n ASN 79 N -1.58 -1.94 0.05 6.41 4.05 -0.17 -4.89 115.26 117.19 2khn n ASN 79 Ca 0.05 -0.83 -0.10 0.00 0.45 0.00 0.00 54.58 54.15 2khn n ASN 79 Cb 0.35 -3.89 0.03 0.00 1.23 0.00 0.00 39.78 37.50 2khn n ASN 79 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 177.26 173.43 2khn h ASP 80 N -1.92 0.48 0.00 1.20 3.58 -1.92 -3.47 116.42 114.37 2khn h ASP 80 Ca -0.61 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 56.53 2khn h ASP 80 Cb 1.36 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2khn h ASP 80 CO 0.60 1.04 0.00 0.61 -2.88 0.00 0.00 179.24 178.61 2khn n GLY 81 N 0.52 0.74 0.00 -0.78 0.00 -1.26 -4.86 105.19 99.55 2khn n GLY 81 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2khn n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khn n ARG 82 N -1.75 0.35 -0.94 1.61 1.74 -1.26 -3.68 116.66 112.73 2khn n ARG 82 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 2khn n ARG 82 Cb 0.00 -0.55 -0.00 0.00 -1.02 0.00 0.00 32.46 30.89 2khn n ARG 82 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2khn n MET 83 N -0.67 -2.45 -1.09 5.56 2.81 -1.26 -4.14 117.12 115.88 2khn n MET 83 Ca 0.00 1.91 0.00 0.00 -1.81 0.00 0.00 57.70 57.80 2khn n MET 83 Cb 0.05 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.15 2khn n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2khn n ASP 84 N -2.25 0.78 0.18 7.83 2.03 -1.26 -4.78 116.55 119.09 2khn n ASP 84 Ca -0.00 -0.79 0.04 0.00 0.52 0.00 0.00 54.79 54.56 2khn n ASP 84 Cb 0.30 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.04 2khn n ASP 84 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2khn h GLN 85 N 0.00 0.00 0.26 -0.67 1.08 -1.97 0.12 115.11 113.93 2khn h GLN 85 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2khn h GLN 85 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2khn h GLN 85 CO 0.00 0.40 -0.12 0.28 -0.95 0.00 0.00 178.83 178.44 2khn h VAL 86 N 0.00 0.66 -0.22 -0.54 2.07 -1.99 -1.41 116.25 114.82 2khn h VAL 86 Ca -0.00 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 2khn h VAL 86 Cb 0.84 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2khn h VAL 86 CO 0.05 0.15 -0.05 -0.33 0.02 0.00 0.00 177.57 177.41 2khn h GLU 87 N -0.88 0.33 -0.40 1.57 3.07 -1.79 -1.96 114.58 114.52 2khn h GLU 87 Ca -0.04 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.61 2khn h GLU 87 Cb 0.51 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2khn h GLU 87 CO 0.06 0.40 -0.35 0.35 -1.40 0.00 0.00 179.01 178.07 2khn h PHE 88 N 0.32 1.10 -0.76 4.33 3.04 -0.80 -1.82 116.94 122.36 2khn h PHE 88 Ca 0.07 -0.32 -0.00 0.00 3.98 0.00 0.00 57.97 61.70 2khn h PHE 88 Cb 0.30 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.54 2khn h PHE 88 CO 0.01 1.14 0.47 1.03 -2.02 0.00 0.00 178.31 178.93 2khn h SER 89 N 0.77 0.89 1.08 0.41 0.87 -0.47 -1.73 113.55 115.37 2khn h SER 89 Ca 0.07 -0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.42 2khn h SER 89 Cb 0.94 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 2khn h SER 89 CO 0.09 0.68 -0.95 -0.29 -0.53 0.00 0.00 176.83 175.82 2khn h ILE 90 N 1.04 1.11 -0.44 2.23 2.10 -1.47 -3.29 117.51 118.80 2khn h ILE 90 Ca 0.27 -2.67 -0.05 0.00 1.08 0.00 0.00 64.86 63.50 2khn h ILE 90 Cb -0.06 2.51 -0.02 0.00 -1.09 0.00 0.00 36.82 38.16 2khn h ILE 90 CO -0.05 0.63 0.07 0.00 -1.08 0.00 0.00 178.15 177.72 2khn h ALA 91 N 1.25 1.31 -0.76 0.18 0.00 -0.47 -2.84 119.26 117.93 2khn h ALA 91 Ca -0.06 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.74 2khn h ALA 91 Cb 1.62 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 2khn h ALA 91 CO 0.09 0.48 0.41 1.98 0.00 0.00 0.00 179.25 182.20 2khn h MET 92 N 0.64 0.66 -0.58 0.00 1.85 -1.45 -2.18 114.93 113.88 2khn h MET 92 Ca 0.14 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 59.12 2khn h MET 92 Cb 0.30 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.16 2khn h MET 92 CO 0.00 0.44 0.07 -0.22 -0.40 0.00 0.00 176.91 176.80 2khn h LYS 93 N 0.68 0.97 -0.27 0.39 1.63 -1.67 -2.97 116.57 115.34 2khn h LYS 93 Ca 0.37 -0.28 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 2khn h LYS 93 Cb 0.37 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 2khn h LYS 93 CO -0.26 0.94 -0.09 -0.07 -3.45 0.00 0.00 179.45 176.53 2khn h LEU 94 N 0.87 0.41 0.02 5.20 4.07 -1.41 0.29 115.31 124.75 2khn h LEU 94 Ca 0.17 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2khn h LEU 94 Cb 0.46 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2khn h LEU 94 CO 0.02 0.54 -0.01 0.40 -1.08 0.00 0.00 178.44 178.30 2khn h ILE 95 N 0.40 1.18 -0.70 1.22 2.04 -1.34 -0.70 117.51 119.61 2khn h ILE 95 Ca 0.08 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 2khn h ILE 95 Cb 0.41 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2khn h ILE 95 CO 0.02 0.16 0.15 0.11 0.00 0.00 0.00 178.15 178.60 2khn h LYS 96 N -0.30 1.14 -0.08 2.37 1.79 -1.36 -1.70 116.57 118.42 2khn h LYS 96 Ca -0.00 -0.28 0.03 0.00 -2.18 0.00 0.00 60.65 58.21 2khn h LYS 96 Cb 0.29 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 2khn h LYS 96 CO 0.01 1.01 -0.08 1.25 -1.08 0.00 0.00 179.45 180.56 2khn h LEU 97 N 1.07 -0.23 -1.20 2.94 5.85 -0.32 -0.49 115.31 122.92 2khn h LEU 97 Ca 0.22 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 2khn h LEU 97 Cb 0.40 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2khn h LEU 97 CO 0.01 -0.11 -0.38 0.11 -0.34 0.00 0.00 178.44 177.73 2khn h LYS 98 N -0.09 0.00 0.00 1.25 1.57 -0.96 -1.38 116.57 116.96 2khn h LYS 98 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2khn h LYS 98 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2khn h LYS 98 CO -0.14 0.38 0.00 1.28 -0.57 0.00 0.00 179.45 180.40 2khn n LEU 99 N -3.91 0.63 0.06 2.94 4.77 -0.65 -2.69 117.00 118.15 2khn n LEU 99 Ca -0.01 0.58 0.02 0.00 -0.03 0.00 0.00 56.01 56.57 2khn n LEU 99 Cb 0.44 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2khn n LEU 99 CO 0.38 -0.25 -0.14 1.56 -1.33 0.00 0.00 177.39 177.60 2khn h GLN 100 N 0.00 0.00 0.00 3.23 1.08 0.00 -3.49 115.11 115.93 2khn h GLN 100 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2khn h GLN 100 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2khn h GLN 100 CO 0.00 0.27 0.00 0.41 -0.95 0.00 0.00 178.83 178.56 2khn n GLY 101 N 1.34 0.65 3.31 3.46 0.00 -0.92 -5.10 105.19 107.93 2khn n GLY 101 Ca -0.07 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 2khn n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2khn s TYR 102 N -0.80 1.49 0.23 1.61 2.02 -1.17 -5.03 117.35 115.69 2khn s TYR 102 Ca 0.00 -1.07 0.03 0.00 -0.37 0.00 0.00 57.07 55.66 2khn s TYR 102 Cb 0.00 -0.88 -0.05 0.00 -0.40 0.00 0.00 41.96 40.63 2khn s TYR 102 CO 0.00 -0.22 -0.00 1.14 -1.57 0.00 0.00 175.55 174.90 2khn s GLN 103 N -3.96 1.32 -0.26 -0.62 -2.07 -1.26 -4.58 119.66 108.23 2khn s GLN 103 Ca 0.32 -1.66 -0.26 0.00 -1.82 0.00 0.00 55.36 51.94 2khn s GLN 103 Cb 0.07 -0.58 0.13 0.00 -1.09 0.00 0.00 33.01 31.53 2khn s GLN 103 CO 0.10 -0.10 1.04 -1.17 -1.32 0.00 0.00 175.29 173.84 2khn s LEU 104 N -3.29 -0.42 0.00 2.60 2.96 -1.26 -5.11 118.68 114.16 2khn s LEU 104 Ca 0.28 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 2khn s LEU 104 Cb 0.06 1.85 0.00 0.00 0.50 0.00 0.00 46.19 48.60 2khn s LEU 104 CO 0.08 -0.19 0.00 -0.81 -1.32 0.00 0.00 176.35 174.12 2khn n PRO 105 N 1.87 1.28 0.00 0.98 -0.05 -1.26 -4.94 135.00 132.88 2khn n PRO 105 Ca -0.12 0.00 0.05 0.00 -0.05 0.00 0.00 63.50 63.38 2khn n PRO 105 Cb 0.56 0.00 0.31 0.00 -0.05 0.00 0.00 33.50 34.32 2khn n PRO 105 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 2khn n SER 106 N -1.10 0.00 -4.31 3.54 7.64 -1.26 -4.61 113.62 113.51 2khn n SER 106 Ca 0.00 -1.28 -0.36 0.00 1.01 0.00 0.00 58.87 58.25 2khn n SER 106 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 2khn n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2khn s ALA 107 N -2.00 2.89 0.13 -0.43 0.00 -1.26 -4.95 121.76 116.14 2khn s ALA 107 Ca 0.16 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 2khn s ALA 107 Cb 0.07 -1.85 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 2khn s ALA 107 CO 0.12 -0.62 0.53 -0.51 0.00 0.00 0.00 175.76 175.28 2khn s LEU 108 N 1.47 4.35 0.62 0.00 1.43 -1.26 -5.07 118.68 120.22 2khn s LEU 108 Ca 0.04 1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 54.01 2khn s LEU 108 Cb -0.15 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 2khn s LEU 108 CO -0.01 0.13 1.15 -2.16 0.23 0.00 0.00 176.35 175.68 2khn s PRO 109 N -1.88 2.93 0.00 1.29 0.04 -1.26 -4.92 135.00 131.20 2khn s PRO 109 Ca 0.36 1.60 0.16 0.00 0.04 0.00 0.00 61.00 63.17 2khn s PRO 109 Cb -0.15 -1.95 0.78 0.00 0.04 0.00 0.00 34.50 33.22 2khn s PRO 109 CO 0.19 -1.19 1.49 -2.30 0.04 0.00 0.00 177.00 175.23 2khn n PRO 110 N -1.92 0.16 0.11 0.56 -0.02 -1.26 -2.82 135.00 129.81 2khn n PRO 110 Ca 0.12 0.16 -0.24 0.00 -2.02 0.00 0.00 63.50 61.52 2khn n PRO 110 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.33 2khn n PRO 110 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2khn h VAL 111 N 0.00 1.10 -0.11 -1.45 2.07 -1.88 -1.81 116.25 114.18 2khn h VAL 111 Ca 0.00 -2.60 -0.18 0.00 0.82 0.00 0.00 66.70 64.74 2khn h VAL 111 Cb 0.19 2.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2khn h VAL 111 CO 0.00 0.84 -0.68 0.24 0.02 0.00 0.00 177.57 177.99 2khn h MET 112 N 0.13 0.46 -0.00 1.57 2.86 -1.65 -2.86 114.93 115.43 2khn h MET 112 Ca -0.30 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 56.99 2khn h MET 112 Cb 2.14 0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.86 2khn h MET 112 CO 0.23 0.97 -0.47 0.36 1.06 0.00 0.00 176.91 179.06 2khn n LYS 113 N -3.88 0.05 -1.05 1.72 2.85 -1.22 -4.91 118.16 111.72 2khn n LYS 113 Ca -0.04 -0.03 0.13 0.00 -1.05 0.00 0.00 58.31 57.32 2khn n LYS 113 Cb 0.68 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.49 2khn n LYS 113 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2khn n GLN 114 N -1.45 -2.42 -3.41 -1.58 6.02 -0.68 -4.85 117.38 109.02 2khn n GLN 114 Ca 0.06 1.96 -0.38 0.00 -0.01 0.00 0.00 57.00 58.63 2khn n GLN 114 Cb 0.34 -2.83 -0.08 0.00 1.02 0.00 0.00 30.24 28.69 2khn n GLN 114 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2khn s GLN 115 N -3.83 4.14 -0.15 -1.09 2.00 -1.24 -4.82 119.66 114.66 2khn s GLN 115 Ca 0.00 0.14 -0.31 0.00 -2.00 0.00 0.00 55.36 53.18 2khn s GLN 115 Cb 0.00 -3.56 -0.09 0.00 0.80 0.00 0.00 33.01 30.17 2khn s GLN 115 CO 0.00 -0.07 2.07 -2.30 -0.50 0.00 0.00 175.29 174.50 2khn n PRO 116 N 4.59 2.07 -3.36 1.67 -0.02 -1.26 -4.94 135.00 133.75 2khn n PRO 116 Ca -0.09 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 61.68 2khn n PRO 116 Cb 0.51 -2.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.03 2khn n PRO 116 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2khn s VAL 117 N 6.19 4.85 -0.28 -1.45 0.11 -1.26 -5.06 120.40 123.50 2khn s VAL 117 Ca 0.98 1.06 -0.18 0.00 -2.93 0.00 0.00 61.98 60.91 2khn s VAL 117 Cb -0.54 -3.82 0.12 0.00 -1.53 0.00 0.00 36.38 30.60 2khn s VAL 117 CO 0.44 0.55 0.89 0.00 -3.33 0.00 0.00 175.10 173.65 2khn s ALA 118 N -1.12 -2.08 -0.88 1.54 0.00 -1.26 -5.10 121.76 112.87 2khn s ALA 118 Ca 0.27 2.19 -0.14 0.00 0.00 0.00 0.00 51.96 54.28 2khn s ALA 118 Cb -0.18 -1.55 0.21 0.00 0.00 0.00 0.00 23.12 21.60 2khn s ALA 118 CO 0.17 -0.33 0.87 0.42 0.00 0.00 0.00 175.76 176.88 2khn s ILE 119 N 1.15 5.50 0.00 0.00 -1.09 -1.26 -4.65 121.20 120.84 2khn s ILE 119 Ca -0.06 -2.42 0.00 0.00 -2.23 0.00 0.00 60.65 55.94 2khn s ILE 119 Cb -0.04 -4.54 0.00 0.00 -1.58 0.00 0.00 42.46 36.30 2khn s ILE 119 CO -0.14 -1.13 0.00 -1.20 -1.23 0.00 0.00 174.94 171.25 2khn n SER 120 N 4.29 3.90 -0.30 3.58 7.64 -1.26 -5.38 113.62 126.09 2khn n SER 120 Ca 0.17 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.08 2khn n SER 120 Cb 0.47 0.35 0.03 0.00 -1.01 0.00 0.00 64.21 64.04 2khn n SER 120 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79