#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 0.27 3.77 3.03 0.00 -1.26 -5.13 105.19 105.86 2khn n GLY 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.54 3.59 -0.56 1.61 3.76 -1.26 -5.02 115.29 117.96 2khn s HIS 3 Ca 0.32 0.90 0.07 0.00 -0.15 0.00 0.00 55.06 56.20 2khn s HIS 3 Cb 0.22 -2.42 0.25 0.00 1.11 0.00 0.00 32.58 31.74 2khn s HIS 3 CO -0.24 0.36 0.68 0.72 -0.85 0.00 0.00 174.74 175.41 2khn n HIS 4 N 2.92 2.38 -2.78 1.40 -0.00 -1.26 -5.04 115.22 112.85 2khn n HIS 4 Ca -0.10 -3.97 -0.43 0.00 -0.00 0.00 0.00 57.72 53.22 2khn n HIS 4 Cb 0.52 -0.49 -0.03 0.00 -0.00 0.00 0.00 29.99 29.99 2khn n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2khn s HIS 5 N -2.08 2.75 0.26 4.41 5.65 -1.26 -4.60 115.29 120.42 2khn s HIS 5 Ca 0.38 -0.85 0.00 0.00 0.25 0.00 0.00 55.06 54.85 2khn s HIS 5 Cb 0.16 -4.42 0.00 0.00 -1.18 0.00 0.00 32.58 27.14 2khn s HIS 5 CO -0.04 -1.71 0.00 1.58 -0.65 0.00 0.00 174.74 173.92 2khn n HIS 6 N 7.77 -2.17 -1.28 3.88 -0.00 -1.26 -5.16 115.22 117.00 2khn n HIS 6 Ca 0.15 0.38 0.17 0.00 -0.00 0.00 0.00 57.72 58.42 2khn n HIS 6 Cb 0.48 0.51 -0.05 0.00 -0.00 0.00 0.00 29.99 30.94 2khn n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2khn n HIS 7 N -3.44 -3.23 -2.88 1.57 8.25 -1.26 -5.00 115.22 109.23 2khn n HIS 7 Ca 0.00 1.62 -0.08 0.00 -0.26 0.00 0.00 57.72 59.01 2khn n HIS 7 Cb 0.00 -2.93 0.01 0.00 1.12 0.00 0.00 29.99 28.19 2khn n HIS 7 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2khn n HIS 8 N -3.92 -3.45 -3.97 4.41 8.25 -1.26 -4.99 115.22 110.29 2khn n HIS 8 Ca 0.00 1.38 -0.31 0.00 -0.26 0.00 0.00 57.72 58.54 2khn n HIS 8 Cb 0.59 -4.07 -0.15 0.00 1.12 0.00 0.00 29.99 27.48 2khn n HIS 8 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2khn s SER 9 N -2.62 4.53 -0.06 0.41 0.01 -1.26 -4.89 113.70 109.82 2khn s SER 9 Ca 0.23 -2.42 -0.06 0.00 1.31 0.00 0.00 55.95 55.01 2khn s SER 9 Cb -0.06 -1.56 -0.02 0.00 0.21 0.00 0.00 66.02 64.58 2khn s SER 9 CO 0.77 -0.33 -0.12 1.41 0.41 0.00 0.00 173.24 175.38 2khn n HIS 10 N 3.89 0.00 -3.16 2.43 8.25 -1.26 -5.08 115.22 120.29 2khn n HIS 10 Ca 0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.48 2khn n HIS 10 Cb 0.38 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2khn n HIS 10 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2khn n MET 11 N -3.22 -0.71 -3.49 -0.41 2.00 -1.26 -4.92 117.12 105.11 2khn n MET 11 Ca -0.05 1.03 -0.41 0.00 0.00 0.00 0.00 57.70 58.26 2khn n MET 11 Cb 0.18 -1.54 -0.04 0.00 0.00 0.00 0.00 33.22 31.82 2khn n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2khn s ALA 12 N -1.10 4.25 0.61 3.04 0.00 -1.26 -5.06 121.76 122.24 2khn s ALA 12 Ca 0.02 -3.63 -0.03 0.00 0.00 0.00 0.00 51.96 48.33 2khn s ALA 12 Cb -0.00 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.97 2khn s ALA 12 CO 0.14 -2.19 0.89 -0.65 0.00 0.00 0.00 175.76 173.94 2khn s GLN 13 N -0.76 2.49 -0.47 0.00 -1.52 -1.26 -5.07 119.66 113.07 2khn s GLN 13 Ca 0.24 -0.43 0.03 0.00 -1.95 0.00 0.00 55.36 53.26 2khn s GLN 13 Cb -0.11 -2.33 0.13 0.00 -0.22 0.00 0.00 33.01 30.48 2khn s GLN 13 CO -0.09 -0.90 0.23 0.12 -0.25 0.00 0.00 175.29 174.40 2khn s PHE 14 N -2.98 2.90 0.52 0.91 5.36 -1.26 -5.10 117.98 118.33 2khn s PHE 14 Ca 0.57 -2.92 -0.10 0.00 -0.96 0.00 0.00 56.93 53.52 2khn s PHE 14 Cb -0.10 -2.56 -0.05 0.00 -0.34 0.00 0.00 43.02 39.96 2khn s PHE 14 CO 0.42 -0.78 0.90 -1.25 -1.46 0.00 0.00 175.22 173.05 2khn s PRO 15 N 0.06 3.66 -0.23 10.12 0.05 -1.26 -5.11 135.00 142.30 2khn s PRO 15 Ca 0.16 0.55 -0.16 0.00 0.05 0.00 0.00 61.00 61.60 2khn s PRO 15 Cb -0.25 -2.24 0.07 0.00 0.05 0.00 0.00 34.50 32.13 2khn s PRO 15 CO -0.02 -0.31 0.59 -0.08 0.05 0.00 0.00 177.00 177.23 2khn s THR 16 N -2.81 -0.01 0.93 1.26 -1.32 -1.26 -5.17 115.64 107.26 2khn s THR 16 Ca 0.52 0.02 -0.13 0.00 -1.21 0.00 0.00 61.69 60.89 2khn s THR 16 Cb -0.10 -0.85 0.15 0.00 -1.51 0.00 0.00 72.50 70.19 2khn s THR 16 CO 0.44 0.01 1.16 -2.16 -2.21 0.00 0.00 174.62 171.86 2khn s PRO 17 N 1.08 0.95 -0.04 7.08 0.04 -1.26 -5.10 135.00 137.74 2khn s PRO 17 Ca -0.06 0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.08 2khn s PRO 17 Cb -0.05 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.67 2khn s PRO 17 CO -0.10 -2.30 0.12 -0.59 0.04 0.00 0.00 177.00 174.17 2khn s PHE 18 N -3.37 -0.12 -1.05 0.56 -0.71 -1.26 -5.07 117.98 106.97 2khn s PHE 18 Ca 0.66 0.30 -0.02 0.00 -1.04 0.00 0.00 56.93 56.83 2khn s PHE 18 Cb -0.12 0.04 0.31 0.00 -1.21 0.00 0.00 43.02 42.04 2khn s PHE 18 CO 0.53 -0.08 1.75 0.41 -1.34 0.00 0.00 175.22 176.50 2khn n GLY 19 N 2.93 5.89 2.86 1.99 0.00 -1.26 -4.91 105.19 112.69 2khn n GLY 19 Ca -0.13 -2.59 -0.42 0.00 0.00 0.00 0.00 46.02 42.87 2khn n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2khn n GLY 20 N 0.31 4.30 3.71 -0.02 0.00 -1.26 -4.90 105.19 107.33 2khn n GLY 20 Ca 0.42 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 2khn n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2khn s SER 21 N 2.74 3.79 0.18 1.61 0.01 -1.26 -5.05 113.70 115.73 2khn s SER 21 Ca 0.46 -1.72 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2khn s SER 21 Cb 0.12 0.66 0.00 0.00 0.21 0.00 0.00 66.02 67.01 2khn s SER 21 CO -0.05 -0.95 0.00 -0.11 0.41 0.00 0.00 173.24 172.54 2khn n LEU 22 N -1.21 -1.66 -2.91 2.44 7.94 -1.26 -4.81 117.00 115.52 2khn n LEU 22 Ca -0.17 1.06 -0.20 0.00 -1.11 0.00 0.00 56.01 55.59 2khn n LEU 22 Cb 0.66 -0.38 0.01 0.00 0.53 0.00 0.00 43.42 44.24 2khn n LEU 22 CO 0.36 0.11 -0.08 0.47 -1.11 0.00 0.00 177.39 177.14 2khn n ASP 23 N -0.87 -4.95 0.25 1.96 9.92 -1.26 -4.84 116.55 116.75 2khn n ASP 23 Ca 0.00 -0.18 0.13 0.00 -0.53 0.00 0.00 54.79 54.21 2khn n ASP 23 Cb 0.00 -4.08 0.61 0.00 -0.64 0.00 0.00 41.12 37.01 2khn n ASP 23 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2khn h THR 24 N -0.79 0.34 0.00 -3.53 2.02 -1.97 -1.65 112.91 107.32 2khn h THR 24 Ca -0.45 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 65.96 2khn h THR 24 Cb 1.31 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2khn h THR 24 CO 0.52 0.12 0.00 0.79 0.37 0.00 0.00 175.52 177.31 2khn n TRP 25 N -3.31 0.00 -3.79 3.16 7.02 -1.26 -4.78 117.44 114.47 2khn n TRP 25 Ca -0.00 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.27 2khn n TRP 25 Cb 0.34 -0.12 -0.03 0.00 -2.42 0.00 0.00 31.31 29.08 2khn n TRP 25 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2khn s ALA 26 N -2.24 3.89 -0.90 6.99 0.00 -0.62 -4.36 121.76 124.52 2khn s ALA 26 Ca 0.38 -1.57 -0.18 0.00 0.00 0.00 0.00 51.96 50.59 2khn s ALA 26 Cb 0.20 -1.31 0.14 0.00 0.00 0.00 0.00 23.12 22.15 2khn s ALA 26 CO 0.39 0.04 1.05 0.42 0.00 0.00 0.00 175.76 177.66 2khn s ILE 27 N -2.24 4.87 0.82 0.00 1.01 -1.26 -4.97 121.20 119.42 2khn s ILE 27 Ca 0.40 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.26 2khn s ILE 27 Cb -0.07 -4.72 0.09 0.00 0.01 0.00 0.00 42.46 37.77 2khn s ILE 27 CO 0.27 -1.42 1.09 -0.89 0.00 0.00 0.00 174.94 174.00 2khn s THR 28 N 2.29 3.06 0.38 2.92 2.01 -1.26 -4.79 115.64 120.26 2khn s THR 28 Ca 0.29 0.35 0.08 0.00 0.31 0.00 0.00 61.69 62.72 2khn s THR 28 Cb -0.06 -2.85 0.31 0.00 0.01 0.00 0.00 72.50 69.90 2khn s THR 28 CO -0.09 -0.45 1.95 1.62 -0.69 0.00 0.00 174.62 176.96 2khn h VAL 29 N -1.29 0.95 -0.46 3.82 3.04 -1.98 0.24 116.25 120.58 2khn h VAL 29 Ca -0.46 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 64.99 2khn h VAL 29 Cb 1.25 0.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.75 2khn h VAL 29 CO 0.53 0.12 0.24 -0.08 -1.01 0.00 0.00 177.57 177.37 2khn h GLU 30 N 0.66 0.65 -0.39 4.17 4.81 -1.99 0.77 114.58 123.26 2khn h GLU 30 Ca 0.33 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2khn h GLU 30 Cb 0.42 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2khn h GLU 30 CO -0.12 0.53 0.07 0.93 -0.73 0.00 0.00 179.01 179.70 2khn h GLU 31 N 0.60 0.58 0.11 1.92 4.39 -1.42 0.23 114.58 120.99 2khn h GLU 31 Ca 0.16 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2khn h GLU 31 Cb 0.09 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2khn h GLU 31 CO -0.02 0.55 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.23 2khn h ARG 32 N 0.57 -0.14 -0.91 2.33 2.43 -0.02 -1.10 114.38 117.55 2khn h ARG 32 Ca 0.13 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2khn h ARG 32 Cb 0.25 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2khn h ARG 32 CO 0.00 0.14 0.53 0.00 -1.51 0.00 0.00 179.97 179.13 2khn h ALA 33 N 0.44 1.23 0.18 2.80 0.00 -0.59 -2.45 119.26 120.87 2khn h ALA 33 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2khn h ALA 33 Cb 0.34 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2khn h ALA 33 CO 0.02 0.65 -0.09 -0.22 0.00 0.00 0.00 179.25 179.62 2khn h LYS 34 N 1.25 -0.23 -0.16 0.00 3.64 -0.43 0.45 116.57 121.09 2khn h LYS 34 Ca 0.32 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 2khn h LYS 34 Cb -0.03 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2khn h LYS 34 CO -0.06 -0.08 0.00 1.12 -2.27 0.00 0.00 179.45 178.16 2khn h HIS 35 N -0.33 0.22 -0.25 1.91 2.07 -1.11 0.36 115.15 118.02 2khn h HIS 35 Ca -0.02 -0.01 -0.08 0.00 -2.85 0.00 0.00 60.37 57.40 2khn h HIS 35 Cb 0.26 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 30.16 2khn h HIS 35 CO -0.04 0.24 -0.17 0.22 -3.07 0.00 0.00 177.93 175.11 2khn h ASP 36 N 0.23 0.58 -0.72 3.10 3.58 -1.09 0.13 116.42 122.22 2khn h ASP 36 Ca 0.05 -0.44 -0.06 0.00 0.42 0.00 0.00 57.03 57.00 2khn h ASP 36 Cb 0.16 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2khn h ASP 36 CO 0.00 0.89 0.20 -0.61 -2.88 0.00 0.00 179.24 176.85 2khn h GLN 37 N 0.27 1.14 -0.31 0.28 4.15 -0.20 0.12 115.11 120.55 2khn h GLN 37 Ca 0.05 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 2khn h GLN 37 Cb 0.70 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 2khn h GLN 37 CO 0.05 0.98 0.16 0.37 -1.93 0.00 0.00 178.83 178.46 2khn h GLN 38 N 1.08 0.43 -0.83 1.69 5.75 -0.21 -0.82 115.11 122.20 2khn h GLN 38 Ca 0.23 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2khn h GLN 38 Cb 0.34 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 2khn h GLN 38 CO -0.00 0.38 0.53 0.35 -2.65 0.00 0.00 178.83 177.44 2khn h PHE 39 N 0.37 1.07 -0.97 3.99 3.04 -0.43 -1.55 116.94 122.47 2khn h PHE 39 Ca 0.11 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.07 2khn h PHE 39 Cb 0.08 -0.36 -0.05 0.00 2.56 0.00 0.00 35.95 38.18 2khn h PHE 39 CO -0.03 0.70 0.62 1.25 -2.02 0.00 0.00 178.31 178.83 2khn h HIS 40 N 1.14 1.23 0.00 0.41 2.76 -0.38 -2.31 115.15 118.00 2khn h HIS 40 Ca 0.30 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 2khn h HIS 40 Cb -0.09 -0.41 0.00 0.00 1.55 0.00 0.00 27.41 28.46 2khn h HIS 40 CO -0.01 0.79 0.00 0.77 -1.30 0.00 0.00 177.93 178.18 2khn h SER 41 N 1.32 0.00 1.13 3.26 0.02 -0.30 -2.69 113.55 116.29 2khn h SER 41 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2khn h SER 41 Cb -0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2khn h SER 41 CO -0.07 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.80 2khn n LEU 42 N -2.83 0.43 -2.43 5.07 4.77 -0.67 -4.97 117.00 116.39 2khn n LEU 42 Ca 0.03 0.55 -0.05 0.00 -0.03 0.00 0.00 56.01 56.51 2khn n LEU 42 Cb 0.39 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2khn n LEU 42 CO 0.29 -0.16 -0.00 0.29 -1.33 0.00 0.00 177.39 176.47 2khn n LYS 43 N -1.92 -1.73 -1.72 3.23 4.01 -1.01 -4.99 118.16 114.03 2khn n LYS 43 Ca 0.06 1.68 -0.37 0.00 -0.51 0.00 0.00 58.31 59.16 2khn n LYS 43 Cb 0.35 -4.37 0.06 0.00 -0.51 0.00 0.00 35.03 30.57 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 -0.28 1.23 0.07 1.97 -0.04 -1.25 -4.95 135.00 131.74 2khn n PRO 44 Ca 0.07 0.47 -0.12 0.00 -0.04 0.00 0.00 63.50 63.89 2khn n PRO 44 Cb 0.29 -2.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.11 2khn n PRO 44 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2khn h ILE 45 N 0.73 1.48 0.00 0.52 6.09 -1.27 -3.41 117.51 121.65 2khn h ILE 45 Ca -0.51 -3.14 -0.17 0.00 -1.37 0.00 0.00 64.86 59.68 2khn h ILE 45 Cb 1.33 2.83 -0.13 0.00 0.47 0.00 0.00 36.82 41.33 2khn h ILE 45 CO 0.54 0.88 -0.22 -0.24 -3.07 0.00 0.00 178.15 176.03 2khn n SER 46 N -3.40 -1.48 0.00 2.19 2.88 -1.26 -4.92 113.62 107.63 2khn n SER 46 Ca -0.07 -2.14 0.00 0.00 -1.33 0.00 0.00 58.87 55.33 2khn n SER 46 Cb 0.99 0.80 0.00 0.00 -0.75 0.00 0.00 64.21 65.25 2khn n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2khn n GLY 47 N -0.91 2.48 3.22 0.46 0.00 -1.26 -5.01 105.19 104.18 2khn n GLY 47 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2khn n GLY 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2khn s PHE 48 N -2.37 1.14 0.00 1.61 -0.12 -1.26 -4.99 117.98 111.98 2khn s PHE 48 Ca 0.00 -1.00 0.00 0.00 -0.05 0.00 0.00 56.93 55.88 2khn s PHE 48 Cb 0.00 -0.65 0.00 0.00 -0.63 0.00 0.00 43.02 41.74 2khn s PHE 48 CO 0.00 -0.20 0.00 0.44 -0.05 0.00 0.00 175.22 175.41 2khn n ILE 49 N -0.20 0.00 -4.09 -4.49 -5.35 -1.26 -0.72 119.36 103.26 2khn n ILE 49 Ca -0.08 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.26 2khn n ILE 49 Cb 0.63 -1.02 -0.04 0.00 -1.74 0.00 0.00 39.64 37.46 2khn n ILE 49 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2khn s THR 50 N 1.49 0.00 0.17 7.28 -1.32 -1.21 -4.74 115.64 117.32 2khn s THR 50 Ca 0.00 -1.60 -0.15 0.00 -1.21 0.00 0.00 61.69 58.73 2khn s THR 50 Cb 0.00 -2.59 0.06 0.00 -1.51 0.00 0.00 72.50 68.46 2khn s THR 50 CO 0.00 0.00 1.73 1.23 -2.21 0.00 0.00 174.62 175.37 2khn h GLY 51 N 2.14 0.49 1.03 6.08 0.00 -0.61 0.18 103.07 112.39 2khn h GLY 51 Ca -0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2khn h GLY 51 CO 0.39 -0.04 0.37 -1.80 0.00 0.00 0.00 176.54 175.47 2khn h ASP 52 N 0.22 1.07 0.40 0.19 1.82 -1.95 0.08 116.42 118.24 2khn h ASP 52 Ca 0.20 -0.14 -0.12 0.00 -0.39 0.00 0.00 57.03 56.57 2khn h ASP 52 Cb 0.24 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 2khn h ASP 52 CO -0.26 0.91 -0.52 -0.61 -1.61 0.00 0.00 179.24 177.16 2khn h GLN 53 N 1.15 0.14 -0.19 0.28 4.15 -1.75 0.10 115.11 118.99 2khn h GLN 53 Ca 0.28 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 2khn h GLN 53 Cb 0.14 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2khn h GLN 53 CO -0.03 0.63 0.05 0.00 -1.93 0.00 0.00 178.83 177.55 2khn h ALA 54 N 1.36 0.25 -0.94 3.38 0.00 -0.03 -2.25 119.26 121.03 2khn h ALA 54 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2khn h ALA 54 Cb 0.96 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2khn h ALA 54 CO 0.08 -0.10 0.62 0.00 0.00 0.00 0.00 179.25 179.84 2khn h ARG 55 N 0.13 1.20 -0.25 0.00 3.08 -0.64 -1.84 114.38 116.06 2khn h ARG 55 Ca 0.06 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.09 2khn h ARG 55 Cb 0.26 -0.27 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 2khn h ARG 55 CO 0.00 0.80 -0.11 -0.97 -1.07 0.00 0.00 179.97 178.62 2khn h ASN 56 N 1.24 -0.36 -0.23 7.04 -1.24 -0.84 0.31 115.58 121.50 2khn h ASN 56 Ca 0.35 0.09 0.03 0.00 0.71 0.00 0.00 56.30 57.49 2khn h ASN 56 Cb -0.10 0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 2khn h ASN 56 CO -0.09 -0.14 0.05 0.15 -1.29 0.00 0.00 177.43 176.11 2khn h PHE 57 N -0.07 0.08 -0.13 0.67 3.04 -0.87 0.73 116.94 120.40 2khn h PHE 57 Ca 0.13 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 2khn h PHE 57 Cb 0.27 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 2khn h PHE 57 CO -0.29 0.02 0.07 0.74 -2.02 0.00 0.00 178.31 176.84 2khn h PHE 58 N 0.14 0.18 -0.83 0.41 0.04 -0.94 -2.75 116.94 113.19 2khn h PHE 58 Ca 0.11 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 2khn h PHE 58 Cb 0.10 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 2khn h PHE 58 CO -0.15 0.19 0.47 0.35 -0.60 0.00 0.00 178.31 178.57 2khn h PHE 59 N 0.12 1.12 0.00 -0.55 3.57 -0.12 -1.30 116.94 119.78 2khn h PHE 59 Ca 0.05 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2khn h PHE 59 Cb 0.07 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.45 2khn h PHE 59 CO -0.04 0.77 0.00 0.94 -2.23 0.00 0.00 178.31 177.75 2khn n GLN 60 N -4.41 0.02 0.11 1.11 -0.06 0.23 -1.82 117.38 112.56 2khn n GLN 60 Ca 0.08 0.26 0.12 0.00 -2.00 0.00 0.00 57.00 55.46 2khn n GLN 60 Cb 0.08 -1.50 0.23 0.00 -4.06 0.00 0.00 30.24 24.99 2khn n GLN 60 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 2khn h SER 61 N 0.00 0.00 -0.44 1.69 0.02 -0.94 -3.48 113.55 110.40 2khn h SER 61 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2khn h SER 61 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2khn h SER 61 CO 0.00 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2khn n GLY 62 N 1.26 1.00 3.54 -3.77 0.00 -0.75 -5.07 105.19 101.40 2khn n GLY 62 Ca 0.04 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.44 2.91 0.83 0.99 1.43 -1.26 -5.11 118.68 118.03 2khn s LEU 63 Ca 0.00 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2khn s LEU 63 Cb 0.00 -1.71 0.10 0.00 0.03 0.00 0.00 46.19 44.60 2khn s LEU 63 CO 0.00 0.21 1.14 -2.84 0.23 0.00 0.00 176.35 175.09 2khn s PRO 64 N -1.89 1.63 0.13 1.29 0.02 -1.26 -4.67 135.00 130.25 2khn s PRO 64 Ca 0.19 1.46 -0.24 0.00 0.02 0.00 0.00 61.00 62.43 2khn s PRO 64 Cb -0.11 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.57 2khn s PRO 64 CO 0.10 -2.16 1.65 1.96 -0.33 0.00 0.00 177.00 178.22 2khn h GLN 65 N -1.33 -0.29 -0.01 5.54 4.20 -2.00 0.16 115.11 121.38 2khn h GLN 65 Ca -0.44 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.29 2khn h GLN 65 Cb 1.26 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 2khn h GLN 65 CO 0.46 -0.19 0.03 -1.00 -0.67 0.00 0.00 178.83 177.46 2khn h PRO 66 N -0.30 0.00 0.10 1.46 0.13 -1.99 -0.50 132.00 130.90 2khn h PRO 66 Ca 0.08 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.96 2khn h PRO 66 Cb 0.41 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 2khn h PRO 66 CO -0.24 0.00 -1.29 0.28 -0.23 0.00 0.00 178.00 176.52 2khn h VAL 67 N 0.00 1.09 -0.18 1.56 2.07 -1.54 -3.01 116.25 116.23 2khn h VAL 67 Ca 0.00 -2.39 0.04 0.00 0.82 0.00 0.00 66.70 65.18 2khn h VAL 67 Cb 0.07 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 2khn h VAL 67 CO -0.00 0.67 -0.06 -0.07 0.02 0.00 0.00 177.57 178.13 2khn h LEU 68 N -0.40 -0.21 -1.68 2.57 3.38 0.11 -1.04 115.31 118.03 2khn h LEU 68 Ca -0.28 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2khn h LEU 68 Cb 1.68 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2khn h LEU 68 CO 0.04 -0.08 -0.18 0.00 0.09 0.00 0.00 178.44 178.31 2khn h ALA 69 N 1.16 1.59 -0.27 1.53 0.00 -1.28 -1.11 119.26 120.87 2khn h ALA 69 Ca 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2khn h ALA 69 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2khn h ALA 69 CO -0.20 0.23 -0.05 0.37 0.00 0.00 0.00 179.25 179.60 2khn h GLN 70 N 0.00 0.50 -0.30 0.00 5.75 -1.09 0.07 115.11 120.04 2khn h GLN 70 Ca -0.00 -0.18 -0.15 0.00 -0.15 0.00 0.00 58.65 58.16 2khn h GLN 70 Cb 0.34 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 2khn h GLN 70 CO 0.02 0.70 -0.42 0.82 -2.65 0.00 0.00 178.83 177.30 2khn h ILE 71 N 0.26 1.29 -0.26 2.39 5.03 -0.74 -1.64 117.51 123.84 2khn h ILE 71 Ca 0.07 -1.61 -0.01 0.00 -0.12 0.00 0.00 64.86 63.19 2khn h ILE 71 Cb 0.50 1.51 -0.01 0.00 -3.03 0.00 0.00 36.82 35.80 2khn h ILE 71 CO 0.02 0.52 0.12 -0.25 -0.68 0.00 0.00 178.15 177.88 2khn h TRP 72 N 0.60 0.39 0.00 1.37 7.01 -1.15 0.28 115.95 124.45 2khn h TRP 72 Ca 0.04 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 2khn h TRP 72 Cb 0.98 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.91 2khn h TRP 72 CO 0.05 0.38 -0.12 0.00 -2.79 0.00 0.00 178.44 175.97 2khn h ALA 73 N 0.97 1.27 0.23 2.65 0.00 -0.90 -2.37 119.26 121.11 2khn h ALA 73 Ca 0.09 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 2khn h ALA 73 Cb 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.95 2khn h ALA 73 CO -0.01 0.15 -1.45 -0.07 0.00 0.00 0.00 179.25 177.86 2khn h LEU 74 N 0.00 0.77 0.00 0.00 3.38 -0.56 -3.43 115.31 115.47 2khn h LEU 74 Ca -0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2khn h LEU 74 Cb 0.34 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2khn h LEU 74 CO 0.02 1.65 0.00 0.00 0.09 0.00 0.00 178.44 180.20 2khn n ALA 75 N -2.69 -0.21 -2.32 1.53 0.00 0.93 -4.27 120.51 113.48 2khn n ALA 75 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.92 2khn n ALA 75 Cb 1.09 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.51 2khn n ALA 75 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2khn s ASP 76 N -2.42 5.84 0.48 0.00 -4.77 -1.19 -4.74 116.67 109.88 2khn s ASP 76 Ca 0.00 -0.81 0.17 0.00 -3.30 0.00 0.00 52.55 48.61 2khn s ASP 76 Cb 0.00 -2.56 1.17 0.00 -1.09 0.00 0.00 42.92 40.44 2khn s ASP 76 CO 0.00 -2.08 2.06 0.24 0.70 0.00 0.00 175.17 176.09 2khn h MET 77 N 11.00 0.00 0.00 2.11 2.86 -1.85 0.12 114.93 129.17 2khn h MET 77 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2khn h MET 77 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2khn h MET 77 CO 1.31 0.11 -0.22 0.27 1.06 0.00 0.00 176.91 179.43 2khn n ASN 78 N -4.32 0.63 -3.45 1.22 0.23 -1.26 -4.99 115.26 103.32 2khn n ASN 78 Ca -0.03 0.37 -0.28 0.00 -0.53 0.00 0.00 54.58 54.11 2khn n ASN 78 Cb 0.18 -0.39 0.02 0.00 -2.08 0.00 0.00 39.78 37.52 2khn n ASN 78 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2khn n ASN 79 N -2.04 -5.89 -0.08 0.53 4.05 0.42 -4.96 115.26 107.29 2khn n ASN 79 Ca 0.05 -0.25 -0.16 0.00 0.45 0.00 0.00 54.58 54.67 2khn n ASN 79 Cb 0.41 -2.52 -0.14 0.00 1.23 0.00 0.00 39.78 38.77 2khn n ASN 79 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 2khn n ASP 80 N -0.95 1.44 0.00 1.20 5.75 -1.26 -5.01 116.55 117.72 2khn n ASP 80 Ca -0.11 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 2khn n ASP 80 Cb 0.64 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 2khn n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2khn n GLY 81 N 2.01 0.96 0.00 6.12 0.00 -1.26 -4.91 105.19 108.12 2khn n GLY 81 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.45 2.92 -1.96 1.61 3.00 -1.26 -0.06 116.66 119.45 2khn n ARG 82 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.82 2khn n ARG 82 Cb 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 32.46 31.47 2khn n ARG 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2khn n MET 83 N -2.02 -1.94 -0.99 5.56 0.00 -1.26 -3.32 117.12 113.15 2khn n MET 83 Ca 0.00 1.75 -0.29 0.00 -0.00 0.00 0.00 57.70 59.16 2khn n MET 83 Cb 0.47 -2.74 0.19 0.00 0.00 0.00 0.00 33.22 31.14 2khn n MET 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2khn s ASP 84 N -0.30 2.26 0.37 6.12 2.15 -1.26 -4.63 116.67 121.38 2khn s ASP 84 Ca -0.12 1.33 0.06 0.00 0.43 0.00 0.00 52.55 54.26 2khn s ASP 84 Cb 0.01 -2.03 0.73 0.00 -0.30 0.00 0.00 42.92 41.33 2khn s ASP 84 CO 0.34 -3.38 1.95 1.56 -0.17 0.00 0.00 175.17 175.47 2khn h GLN 85 N -2.06 0.48 -0.38 4.34 1.08 -1.96 0.38 115.11 116.99 2khn h GLN 85 Ca -0.56 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 56.42 2khn h GLN 85 Cb 1.32 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 2khn h GLN 85 CO 0.55 0.45 -0.37 -0.24 -0.95 0.00 0.00 178.83 178.27 2khn h VAL 86 N 0.47 1.27 -0.43 -0.54 3.04 -1.99 -0.21 116.25 117.85 2khn h VAL 86 Ca 0.11 -1.54 -0.14 0.00 -1.01 0.00 0.00 66.70 64.12 2khn h VAL 86 Cb 0.20 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 2khn h VAL 86 CO -0.00 0.51 -0.28 -0.33 -1.01 0.00 0.00 177.57 176.46 2khn h GLU 87 N 0.74 0.94 -0.09 4.17 4.39 -1.58 -2.73 114.58 120.43 2khn h GLU 87 Ca 0.07 -0.43 -0.07 0.00 0.34 0.00 0.00 59.36 59.26 2khn h GLU 87 Cb 0.95 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2khn h GLU 87 CO 0.09 1.09 -0.26 0.35 -1.16 0.00 0.00 179.01 179.12 2khn h PHE 88 N 0.80 0.18 -0.18 4.33 3.57 -0.18 -3.07 116.94 122.39 2khn h PHE 88 Ca 0.09 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.57 2khn h PHE 88 Cb 0.85 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2khn h PHE 88 CO 0.05 0.42 0.12 0.77 -2.23 0.00 0.00 178.31 177.44 2khn h SER 89 N 0.15 0.19 0.87 0.41 0.02 -0.70 -1.60 113.55 112.88 2khn h SER 89 Ca 0.02 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.79 2khn h SER 89 Cb 0.55 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2khn h SER 89 CO 0.04 0.13 -1.22 -0.29 -1.14 0.00 0.00 176.83 174.35 2khn h ILE 90 N 0.22 0.79 0.02 3.27 2.10 -1.61 -3.35 117.51 118.95 2khn h ILE 90 Ca 0.07 -2.35 -0.22 0.00 1.08 0.00 0.00 64.86 63.44 2khn h ILE 90 Cb 0.00 2.29 -0.00 0.00 -1.09 0.00 0.00 36.82 38.02 2khn h ILE 90 CO -0.01 0.45 -0.95 0.00 -1.08 0.00 0.00 178.15 176.56 2khn h ALA 91 N 1.31 0.41 0.00 0.18 0.00 -1.34 -2.98 119.26 116.84 2khn h ALA 91 Ca -0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 2khn h ALA 91 Cb 1.64 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2khn h ALA 91 CO 0.07 0.89 -0.05 0.00 0.00 0.00 0.00 179.25 180.16 2khn h MET 92 N 0.15 0.00 0.00 0.00 -0.00 -1.50 -1.86 114.93 111.72 2khn h MET 92 Ca -0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 59.70 59.31 2khn h MET 92 Cb 1.59 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 33.13 2khn h MET 92 CO 0.15 0.05 -2.32 0.36 -0.00 0.00 0.00 176.91 175.16 2khn n LYS 93 N -3.50 0.74 -0.13 -0.10 2.85 -1.24 -4.41 118.16 112.38 2khn n LYS 93 Ca -0.02 -0.03 -0.09 0.00 -1.05 0.00 0.00 58.31 57.12 2khn n LYS 93 Cb 0.17 -1.51 0.06 0.00 -0.65 0.00 0.00 35.03 33.10 2khn n LYS 93 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2khn h LEU 94 N 0.00 0.90 -0.05 -5.58 4.07 -1.20 0.72 115.31 114.17 2khn h LEU 94 Ca -0.48 -0.31 -0.00 0.00 0.08 0.00 0.00 57.88 57.17 2khn h LEU 94 Cb 2.08 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 43.57 2khn h LEU 94 CO 0.03 1.06 0.03 0.40 -1.08 0.00 0.00 178.44 178.88 2khn h ILE 95 N 0.78 1.06 -0.29 1.22 1.08 -1.61 0.02 117.51 119.76 2khn h ILE 95 Ca 0.11 -0.15 -0.09 0.00 -0.39 0.00 0.00 64.86 64.34 2khn h ILE 95 Cb 0.72 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 2khn h ILE 95 CO 0.06 0.05 -0.21 0.11 -0.69 0.00 0.00 178.15 177.46 2khn h LYS 96 N 0.02 0.54 -0.96 2.37 1.79 -1.74 -1.38 116.57 117.22 2khn h LYS 96 Ca 0.02 -0.19 0.01 0.00 -2.18 0.00 0.00 60.65 58.31 2khn h LYS 96 Cb 0.05 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.61 2khn h LYS 96 CO -0.00 0.72 0.63 1.25 -1.08 0.00 0.00 179.45 180.97 2khn h LEU 97 N 0.48 1.08 -0.63 2.94 5.85 -0.54 0.76 115.31 125.25 2khn h LEU 97 Ca 0.08 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 2khn h LEU 97 Cb 0.63 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2khn h LEU 97 CO 0.05 0.78 -0.16 0.50 -0.34 0.00 0.00 178.44 179.27 2khn h LYS 98 N 1.28 0.91 0.00 1.25 1.63 -0.35 -2.27 116.57 119.02 2khn h LYS 98 Ca 0.36 -0.35 -0.09 0.00 -0.85 0.00 0.00 60.65 59.72 2khn h LYS 98 Cb -0.12 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 2khn h LYS 98 CO -0.09 1.00 -0.41 -0.07 -3.45 0.00 0.00 179.45 176.43 2khn h LEU 99 N 0.81 0.00 -0.28 5.20 3.38 -0.53 -1.99 115.31 121.89 2khn h LEU 99 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2khn h LEU 99 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2khn h LEU 99 CO 0.05 0.41 0.00 0.00 0.09 0.00 0.00 178.44 179.00 2khn n GLN 100 N -4.04 0.16 -0.30 1.13 1.13 0.19 -4.89 117.38 110.76 2khn n GLN 100 Ca -0.02 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 2khn n GLN 100 Cb 0.44 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 29.05 2khn n GLN 100 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2khn n GLY 101 N 0.62 0.82 3.90 1.08 0.00 -0.75 -5.08 105.19 105.79 2khn n GLY 101 Ca 0.04 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 3.54 0.08 1.61 2.02 -0.88 -5.04 117.35 116.68 2khn s TYR 102 Ca 0.00 0.82 -0.22 0.00 -0.37 0.00 0.00 57.07 57.30 2khn s TYR 102 Cb 0.00 -2.29 -0.07 0.00 -0.40 0.00 0.00 41.96 39.20 2khn s TYR 102 CO 0.00 -0.19 0.65 -1.14 -1.57 0.00 0.00 175.55 173.30 2khn s GLN 103 N -4.47 4.36 -0.37 -0.62 0.74 -1.26 -4.53 119.66 113.51 2khn s GLN 103 Ca 0.47 0.89 -0.01 0.00 0.05 0.00 0.00 55.36 56.77 2khn s GLN 103 Cb -0.10 -3.28 0.19 0.00 1.10 0.00 0.00 33.01 30.92 2khn s GLN 103 CO 0.41 0.53 0.86 -1.17 -0.55 0.00 0.00 175.29 175.37 2khn s LEU 104 N -0.82 -0.89 0.00 3.68 1.98 -1.26 -5.05 118.68 116.31 2khn s LEU 104 Ca 0.32 -0.55 0.00 0.00 -2.89 0.00 0.00 54.13 51.02 2khn s LEU 104 Cb -0.20 1.14 0.00 0.00 0.66 0.00 0.00 46.19 47.79 2khn s LEU 104 CO 0.21 -0.09 0.00 -0.81 -1.89 0.00 0.00 176.35 173.77 2khn n PRO 105 N 3.83 0.92 0.00 0.98 -0.05 -1.26 -4.91 135.00 134.51 2khn n PRO 105 Ca 0.09 0.00 0.08 0.00 -0.05 0.00 0.00 63.50 63.62 2khn n PRO 105 Cb 0.60 0.00 0.45 0.00 -0.05 0.00 0.00 33.50 34.50 2khn n PRO 105 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 2khn n SER 106 N -0.90 0.00 -4.40 3.54 3.41 -1.26 -4.40 113.62 109.62 2khn n SER 106 Ca 0.00 -0.36 -0.44 0.00 -0.26 0.00 0.00 58.87 57.81 2khn n SER 106 Cb 0.00 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 2khn n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2khn s ALA 107 N -2.14 3.53 0.37 7.33 0.00 -1.26 -4.97 121.76 124.62 2khn s ALA 107 Ca 0.22 -2.05 -0.26 0.00 0.00 0.00 0.00 51.96 49.86 2khn s ALA 107 Cb 0.11 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 2khn s ALA 107 CO 0.20 -1.80 1.13 -0.51 0.00 0.00 0.00 175.76 174.77 2khn s LEU 108 N 1.86 4.27 0.56 0.00 1.43 -1.26 -5.02 118.68 120.51 2khn s LEU 108 Ca 0.06 2.27 -0.17 0.00 -1.03 0.00 0.00 54.13 55.26 2khn s LEU 108 Cb -0.23 -3.96 -0.05 0.00 0.03 0.00 0.00 46.19 41.97 2khn s LEU 108 CO 0.08 -0.51 1.04 -2.84 0.23 0.00 0.00 176.35 174.35 2khn s PRO 109 N -2.14 3.52 0.24 1.29 0.02 -1.26 -4.90 135.00 131.77 2khn s PRO 109 Ca 0.54 1.21 -0.07 0.00 0.02 0.00 0.00 61.00 62.71 2khn s PRO 109 Cb -0.29 -2.06 0.25 0.00 0.02 0.00 0.00 34.50 32.41 2khn s PRO 109 CO 0.37 -0.65 1.92 -1.00 -0.33 0.00 0.00 177.00 177.31 2khn h PRO 110 N 0.77 1.28 0.00 5.54 0.13 -1.99 -1.44 132.00 136.29 2khn h PRO 110 Ca -0.47 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 2khn h PRO 110 Cb 1.22 -0.29 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 2khn h PRO 110 CO 0.58 0.85 -0.08 -0.24 -0.23 0.00 0.00 178.00 178.88 2khn h VAL 111 N 1.32 0.25 0.14 1.56 3.04 -1.93 -1.04 116.25 119.59 2khn h VAL 111 Ca 0.36 -0.60 -0.36 0.00 -1.01 0.00 0.00 66.70 65.09 2khn h VAL 111 Cb -0.15 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 2khn h VAL 111 CO -0.08 0.08 -1.96 0.24 -1.01 0.00 0.00 177.57 174.84 2khn h MET 112 N 0.00 0.29 0.09 4.17 2.86 -1.54 -3.40 114.93 117.40 2khn h MET 112 Ca -0.00 -0.49 -0.13 0.00 -2.06 0.00 0.00 59.70 57.02 2khn h MET 112 Cb 0.47 0.18 0.02 0.00 0.06 0.00 0.00 31.60 32.32 2khn h MET 112 CO 0.01 1.23 -0.57 1.57 1.06 0.00 0.00 176.91 180.21 2khn h LYS 113 N 0.08 0.22 0.00 1.72 5.09 -1.18 -3.48 116.57 119.02 2khn h LYS 113 Ca -0.41 -0.36 0.00 0.00 0.09 0.00 0.00 60.65 59.96 2khn h LYS 113 Cb 2.05 0.13 0.00 0.00 0.10 0.00 0.00 32.23 34.51 2khn h LYS 113 CO 0.10 1.16 0.00 1.04 -2.09 0.00 0.00 179.45 179.66 2khn n GLN 114 N -4.27 0.00 -1.37 0.07 1.13 -0.40 -4.98 117.38 107.55 2khn n GLN 114 Ca -0.12 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.11 2khn n GLN 114 Cb 0.71 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.99 2khn n GLN 114 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2khn n GLN 115 N 0.00 -3.07 -2.57 -1.09 10.64 -1.26 -4.79 117.38 115.23 2khn n GLN 115 Ca 0.00 2.39 -0.41 0.00 -1.83 0.00 0.00 57.00 57.15 2khn n GLN 115 Cb 0.00 -3.62 -0.04 0.00 -0.86 0.00 0.00 30.24 25.72 2khn n GLN 115 CO 0.00 0.00 0.00 -2.14 -1.83 0.00 0.00 177.06 173.09 2khn s PRO 116 N -3.65 4.59 0.15 2.61 0.02 -1.26 -5.06 135.00 132.39 2khn s PRO 116 Ca 0.00 1.62 0.05 0.00 0.02 0.00 0.00 61.00 62.70 2khn s PRO 116 Cb 0.00 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 2khn s PRO 116 CO 0.00 0.03 0.07 0.14 -0.33 0.00 0.00 177.00 176.92 2khn s VAL 117 N 0.21 4.23 -0.26 3.83 -7.23 -1.26 -4.84 120.40 115.06 2khn s VAL 117 Ca 0.51 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.54 2khn s VAL 117 Cb -0.27 -3.12 0.01 0.00 0.56 0.00 0.00 36.38 33.56 2khn s VAL 117 CO 0.32 -0.05 0.04 0.00 -0.31 0.00 0.00 175.10 175.09 2khn n ALA 118 N -0.07 -3.48 -3.10 1.32 0.00 -1.26 -4.98 120.51 108.93 2khn n ALA 118 Ca -0.09 0.73 -0.40 0.00 0.00 0.00 0.00 53.44 53.68 2khn n ALA 118 Cb 0.54 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 2khn n ALA 118 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2khn s ILE 119 N -1.34 4.37 0.16 0.00 -1.09 -1.26 -5.05 121.20 116.99 2khn s ILE 119 Ca -0.04 -1.18 -0.09 0.00 -2.23 0.00 0.00 60.65 57.11 2khn s ILE 119 Cb 0.00 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.30 2khn s ILE 119 CO 0.71 -0.40 0.28 -0.44 -1.23 0.00 0.00 174.94 173.87 2khn s SER 120 N 1.90 0.04 0.00 3.58 0.01 -1.26 -5.30 113.70 112.67 2khn s SER 120 Ca 0.02 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2khn s SER 120 Cb -0.22 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2khn s SER 120 CO 0.04 -0.89 0.00 -0.24 0.41 0.00 0.00 173.24 172.56