#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 0.67 3.57 3.03 0.00 -1.26 -5.04 105.19 106.16 2khn n GLY 2 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 2khn n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2khn s HIS 3 N -2.46 1.96 -0.04 1.61 0.00 -1.26 -4.94 115.29 110.16 2khn s HIS 3 Ca 0.00 0.63 -0.02 0.00 -3.00 0.00 0.00 55.06 52.67 2khn s HIS 3 Cb 0.00 -4.22 0.03 0.00 -4.00 0.00 0.00 32.58 24.40 2khn s HIS 3 CO 0.00 -2.34 0.08 -1.01 -1.00 0.00 0.00 174.74 170.47 2khn s HIS 4 N 7.24 -0.03 -0.36 0.38 4.02 -1.26 -5.05 115.29 120.23 2khn s HIS 4 Ca 0.65 0.31 -0.07 0.00 1.02 0.00 0.00 55.06 56.97 2khn s HIS 4 Cb -0.15 -0.28 -0.21 0.00 -1.02 0.00 0.00 32.58 30.93 2khn s HIS 4 CO 0.26 -0.16 3.43 0.72 1.02 0.00 0.00 174.74 180.01 2khn n HIS 5 N 4.66 0.61 -0.94 1.40 -0.00 -1.26 -4.62 115.22 115.07 2khn n HIS 5 Ca -0.18 -1.86 0.00 0.00 -0.00 0.00 0.00 57.72 55.69 2khn n HIS 5 Cb 0.50 -1.76 0.00 0.00 -0.00 0.00 0.00 29.99 28.73 2khn n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2khn n HIS 6 N 2.59 0.00 -1.42 4.41 -0.00 -1.26 -4.95 115.22 114.59 2khn n HIS 6 Ca 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 58.22 2khn n HIS 6 Cb 0.75 -1.25 0.01 0.00 -0.00 0.00 0.00 29.99 29.50 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 -2.28 -3.80 -3.02 4.41 -0.00 -1.26 -4.73 115.22 104.54 2khn n HIS 7 Ca 0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 57.72 57.63 2khn n HIS 7 Cb 0.27 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 2khn n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2khn n HIS 8 N -1.86 -3.13 0.54 4.41 8.25 -1.26 -4.89 115.22 117.28 2khn n HIS 8 Ca 0.01 1.22 -0.01 0.00 -0.26 0.00 0.00 57.72 58.67 2khn n HIS 8 Cb 0.02 -4.04 0.07 0.00 1.12 0.00 0.00 29.99 27.16 2khn n HIS 8 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2khn n SER 9 N -1.27 2.55 -4.53 0.41 7.64 -1.26 -4.58 113.62 112.57 2khn n SER 9 Ca 0.03 -2.28 -0.43 0.00 1.01 0.00 0.00 58.87 57.20 2khn n SER 9 Cb 0.49 -0.56 -0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.12 3.02 0.14 1.43 5.65 -1.26 -4.98 115.29 118.17 2khn s HIS 10 Ca 0.13 -1.72 -0.30 0.00 0.25 0.00 0.00 55.06 53.41 2khn s HIS 10 Cb 0.10 -4.58 -0.08 0.00 -1.18 0.00 0.00 32.58 26.84 2khn s HIS 10 CO 0.03 -1.66 1.28 0.00 -0.65 0.00 0.00 174.74 173.73 2khn s MET 11 N 3.32 4.41 -0.29 2.88 0.00 -1.26 -4.71 119.30 123.64 2khn s MET 11 Ca 0.48 1.95 -0.03 0.00 0.00 0.00 0.00 55.69 58.09 2khn s MET 11 Cb 0.01 -3.26 0.11 0.00 0.00 0.00 0.00 34.83 31.69 2khn s MET 11 CO 0.03 -0.26 0.17 0.00 0.00 0.00 0.00 175.02 174.96 2khn s ALA 12 N 0.56 0.33 -0.31 3.16 0.00 -0.07 -4.99 121.76 120.44 2khn s ALA 12 Ca 0.58 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 2khn s ALA 12 Cb -0.34 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 2khn s ALA 12 CO 0.34 -1.65 1.35 -0.65 0.00 0.00 0.00 175.76 175.14 2khn s GLN 13 N 2.17 3.86 0.08 0.00 -1.52 -1.26 -3.22 119.66 119.77 2khn s GLN 13 Ca 0.09 1.24 0.02 0.00 -1.95 0.00 0.00 55.36 54.76 2khn s GLN 13 Cb -0.15 -3.91 -0.04 0.00 -0.22 0.00 0.00 33.01 28.68 2khn s GLN 13 CO -0.35 -1.20 0.15 -0.59 -0.25 0.00 0.00 175.29 173.05 2khn s PHE 14 N 4.60 3.34 0.28 0.91 -0.12 -1.26 -5.05 117.98 120.68 2khn s PHE 14 Ca 0.58 0.14 -0.30 0.00 -0.05 0.00 0.00 56.93 57.31 2khn s PHE 14 Cb -0.17 -1.67 -0.10 0.00 -0.63 0.00 0.00 43.02 40.44 2khn s PHE 14 CO 0.25 0.55 1.46 -1.25 -0.05 0.00 0.00 175.22 176.18 2khn s PRO 15 N -2.56 4.23 0.15 1.99 0.04 -1.26 -5.03 135.00 132.55 2khn s PRO 15 Ca 0.32 2.39 0.10 0.00 0.04 0.00 0.00 61.00 63.85 2khn s PRO 15 Cb -0.12 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2khn s PRO 15 CO 0.25 -0.45 -0.19 0.95 0.04 0.00 0.00 177.00 177.59 2khn s THR 16 N -0.27 2.69 0.03 1.26 -4.23 -1.26 -5.15 115.64 108.71 2khn s THR 16 Ca 0.58 -1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 59.38 2khn s THR 16 Cb -0.43 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.15 2khn s THR 16 CO 0.48 0.00 0.05 -0.81 -0.54 0.00 0.00 174.62 173.80 2khn n PRO 17 N 0.54 0.18 -3.85 3.99 -0.04 -1.26 -4.55 135.00 130.00 2khn n PRO 17 Ca -0.14 -0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 62.94 2khn n PRO 17 Cb 0.54 -0.04 -0.16 0.00 -0.04 0.00 0.00 33.50 33.80 2khn n PRO 17 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2khn s PHE 18 N -0.68 1.94 0.00 0.54 -0.71 -1.26 -4.08 117.98 113.74 2khn s PHE 18 Ca 0.03 -1.53 0.00 0.00 -1.04 0.00 0.00 56.93 54.39 2khn s PHE 18 Cb -0.00 -1.48 0.00 0.00 -1.21 0.00 0.00 43.02 40.33 2khn s PHE 18 CO 0.02 -0.74 0.00 0.41 -1.34 0.00 0.00 175.22 173.56 2khn n GLY 19 N 4.79 0.47 3.61 1.99 0.00 -1.26 -5.12 105.19 109.68 2khn n GLY 19 Ca -0.09 0.30 0.01 0.00 0.00 0.00 0.00 46.02 46.24 2khn n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2khn s GLY 20 N 0.00 0.39 0.00 -0.02 0.00 -1.26 -5.03 107.32 101.40 2khn s GLY 20 Ca 0.00 3.59 0.23 0.00 0.00 0.00 0.00 44.72 48.53 2khn s GLY 20 CO 0.00 2.76 1.12 1.44 0.00 0.00 0.00 173.10 178.43 2khn n SER 21 N 3.43 1.31 -0.23 1.64 7.64 -1.26 -3.90 113.62 122.24 2khn n SER 21 Ca -0.17 -1.08 0.06 0.00 1.01 0.00 0.00 58.87 58.69 2khn n SER 21 Cb 0.56 0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 64.36 2khn n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2khn n LEU 22 N -0.85 1.23 -3.59 -3.43 4.77 -1.26 -4.76 117.00 109.11 2khn n LEU 22 Ca 0.07 -0.74 -0.41 0.00 -0.03 0.00 0.00 56.01 54.90 2khn n LEU 22 Cb 0.38 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 2khn n LEU 22 CO 0.34 0.25 2.76 0.47 -1.33 0.00 0.00 177.39 179.88 2khn n ASP 23 N -0.33 6.06 -0.02 -1.43 9.92 -1.25 -4.57 116.55 124.93 2khn n ASP 23 Ca 0.04 -2.84 -0.18 0.00 -0.53 0.00 0.00 54.79 51.29 2khn n ASP 23 Cb 0.23 -1.56 -0.14 0.00 -0.64 0.00 0.00 41.12 39.01 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 3.49 1.51 0.00 -3.53 2.02 -1.88 -3.33 112.91 111.18 2khn h THR 24 Ca 0.65 -2.42 -0.03 0.00 0.77 0.00 0.00 66.41 65.38 2khn h THR 24 Cb 0.49 3.13 -0.00 0.00 -1.74 0.00 0.00 68.15 70.03 2khn h THR 24 CO 1.77 0.64 -0.16 -0.50 0.37 0.00 0.00 175.52 177.64 2khn h TRP 25 N -0.66 0.00 -3.33 3.16 4.06 -1.98 -3.45 115.95 113.75 2khn h TRP 25 Ca -0.13 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.30 2khn h TRP 25 Cb 1.38 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 29.59 2khn h TRP 25 CO 0.21 0.16 0.74 0.00 -3.56 0.00 0.00 178.44 175.99 2khn s ALA 26 N -3.13 3.61 -0.75 1.49 0.00 -1.25 -4.43 121.76 117.30 2khn s ALA 26 Ca 0.06 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 2khn s ALA 26 Cb 0.06 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.67 2khn s ALA 26 CO 0.69 -0.69 1.25 0.42 0.00 0.00 0.00 175.76 177.44 2khn s ILE 27 N 0.14 3.81 0.91 0.00 1.01 -1.26 -5.00 121.20 120.81 2khn s ILE 27 Ca 0.60 0.22 -0.12 0.00 0.00 0.00 0.00 60.65 61.35 2khn s ILE 27 Cb -0.40 -4.90 0.14 0.00 0.01 0.00 0.00 42.46 37.30 2khn s ILE 27 CO 0.41 -1.82 1.10 -0.89 0.00 0.00 0.00 174.94 173.74 2khn s THR 28 N 5.46 2.49 0.27 2.92 2.01 -1.26 -4.71 115.64 122.83 2khn s THR 28 Ca 0.34 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.51 2khn s THR 28 Cb -0.08 -2.73 0.26 0.00 0.01 0.00 0.00 72.50 69.95 2khn s THR 28 CO 0.12 -0.21 1.74 0.58 -0.69 0.00 0.00 174.62 176.17 2khn h VAL 29 N -1.55 0.65 -0.46 3.82 2.07 -1.80 0.21 116.25 119.18 2khn h VAL 29 Ca -0.51 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2khn h VAL 29 Cb 1.30 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2khn h VAL 29 CO 0.57 0.10 0.21 -0.33 0.02 0.00 0.00 177.57 178.14 2khn h GLU 30 N 0.54 0.67 -0.10 1.57 5.08 -1.94 0.94 114.58 121.35 2khn h GLU 30 Ca 0.49 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 2khn h GLU 30 Cb 0.78 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2khn h GLU 30 CO -0.42 0.58 -0.28 0.93 -1.00 0.00 0.00 179.01 178.83 2khn h GLU 31 N 0.60 0.18 -0.11 2.33 4.39 -1.48 0.26 114.58 120.74 2khn h GLU 31 Ca 0.16 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2khn h GLU 31 Cb 0.15 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2khn h GLU 31 CO -0.02 0.45 -0.04 -0.09 -1.16 0.00 0.00 179.01 178.15 2khn h ARG 32 N 0.16 0.22 0.00 2.33 9.65 -0.12 -3.28 114.38 123.35 2khn h ARG 32 Ca 0.02 -0.09 -0.09 0.00 -1.10 0.00 0.00 59.98 58.72 2khn h ARG 32 Cb 0.59 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 2khn h ARG 32 CO 0.04 0.55 -0.42 0.00 2.80 0.00 0.00 179.97 182.94 2khn h ALA 33 N 0.66 0.80 -0.14 2.80 0.00 -0.51 -3.27 119.26 119.61 2khn h ALA 33 Ca 0.03 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.59 2khn h ALA 33 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2khn h ALA 33 CO 0.01 0.53 0.13 1.57 0.00 0.00 0.00 179.25 181.50 2khn h LYS 34 N 0.00 0.00 -0.56 0.00 2.10 -0.54 -1.58 116.57 115.98 2khn h LYS 34 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2khn h LYS 34 Cb 1.17 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.47 2khn h LYS 34 CO 0.06 0.00 0.37 1.12 -2.00 0.00 0.00 179.45 178.99 2khn h HIS 35 N 0.00 0.71 -0.04 0.07 2.07 -1.72 -0.46 115.15 115.79 2khn h HIS 35 Ca 0.07 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.59 2khn h HIS 35 Cb 0.33 -0.24 -0.00 0.00 2.57 0.00 0.00 27.41 30.07 2khn h HIS 35 CO 0.00 0.45 -0.01 0.22 -3.07 0.00 0.00 177.93 175.52 2khn h ASP 36 N 0.76 0.07 -0.28 3.10 3.58 -1.54 -0.27 116.42 121.84 2khn h ASP 36 Ca 0.20 -0.35 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 2khn h ASP 36 Cb -0.08 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2khn h ASP 36 CO -0.04 0.41 0.07 -0.61 -2.88 0.00 0.00 179.24 176.19 2khn h GLN 37 N -0.26 0.44 -0.54 0.28 4.15 -1.54 -1.33 115.11 116.31 2khn h GLN 37 Ca 0.01 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.23 2khn h GLN 37 Cb 0.37 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2khn h GLN 37 CO 0.00 0.52 -0.03 1.96 -1.93 0.00 0.00 178.83 179.35 2khn h GLN 38 N 0.28 0.97 -0.72 1.69 7.50 -1.12 -1.95 115.11 121.76 2khn h GLN 38 Ca 0.09 -0.32 -0.02 0.00 0.50 0.00 0.00 58.65 58.89 2khn h GLN 38 Cb 0.27 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.69 2khn h GLN 38 CO -0.00 0.99 0.36 0.35 -1.50 0.00 0.00 178.83 179.03 2khn h PHE 39 N 0.84 1.04 -0.51 2.96 3.04 -0.93 -2.05 116.94 121.32 2khn h PHE 39 Ca 0.15 -0.05 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 2khn h PHE 39 Cb 0.58 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 2khn h PHE 39 CO 0.04 0.76 -0.12 1.25 -2.02 0.00 0.00 178.31 178.22 2khn h HIS 40 N 1.01 1.08 0.00 0.41 2.76 -1.02 -2.80 115.15 116.59 2khn h HIS 40 Ca 0.25 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2khn h HIS 40 Cb 0.10 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.80 2khn h HIS 40 CO 0.01 1.02 0.00 1.03 -1.30 0.00 0.00 177.93 178.68 2khn h SER 41 N 0.86 0.00 0.25 3.26 0.87 -1.11 -3.15 113.55 114.52 2khn h SER 41 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2khn h SER 41 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2khn h SER 41 CO 0.05 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 176.24 2khn n LEU 42 N -2.94 0.00 -2.57 2.23 0.00 -0.79 -4.92 117.00 108.01 2khn n LEU 42 Ca 0.03 0.14 -0.03 0.00 0.00 0.00 0.00 56.01 56.15 2khn n LEU 42 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 43.42 43.69 2khn n LEU 42 CO 0.30 -0.01 0.16 0.29 0.00 0.00 0.00 177.39 178.12 2khn n LYS 43 N -1.14 -1.31 -2.21 1.96 4.01 -1.19 -5.02 118.16 113.26 2khn n LYS 43 Ca 0.18 1.43 -0.32 0.00 -0.51 0.00 0.00 58.31 59.09 2khn n LYS 43 Cb 0.16 -4.59 -0.01 0.00 -0.51 0.00 0.00 35.03 30.08 2khn n LYS 43 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2khn s PRO 44 N -2.63 3.70 -0.21 1.97 0.04 -1.26 -5.02 135.00 131.59 2khn s PRO 44 Ca 0.08 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2khn s PRO 44 Cb -0.02 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.44 2khn s PRO 44 CO 0.55 -0.48 -0.14 0.42 0.04 0.00 0.00 177.00 177.39 2khn s ILE 45 N -2.66 2.40 -1.52 0.56 1.01 -0.22 -4.60 121.20 116.17 2khn s ILE 45 Ca 0.60 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2khn s ILE 45 Cb -0.12 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.23 2khn s ILE 45 CO 0.36 0.38 0.00 -1.20 0.00 0.00 0.00 174.94 174.49 2khn n SER 46 N 4.63 -4.96 -2.13 3.58 7.64 -1.26 -1.53 113.62 119.60 2khn n SER 46 Ca -0.19 0.10 -0.15 0.00 1.01 0.00 0.00 58.87 59.64 2khn n SER 46 Cb 0.48 -4.02 0.03 0.00 -1.01 0.00 0.00 64.21 59.69 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 -0.99 -0.08 3.26 0.23 0.00 -1.26 -5.02 105.19 101.33 2khn n GLY 47 Ca -0.19 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 2khn n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2khn s PHE 48 N -3.00 -0.30 0.13 1.61 5.36 -0.58 -5.02 117.98 116.18 2khn s PHE 48 Ca 0.23 0.63 0.01 0.00 -0.96 0.00 0.00 56.93 56.84 2khn s PHE 48 Cb -0.10 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.71 2khn s PHE 48 CO 0.29 -0.31 0.05 0.44 -1.46 0.00 0.00 175.22 174.23 2khn n ILE 49 N 1.97 0.00 -4.00 3.12 -6.64 -1.26 -1.05 119.36 111.49 2khn n ILE 49 Ca -0.18 -0.58 -0.13 0.00 -1.77 0.00 0.00 62.75 60.09 2khn n ILE 49 Cb 0.57 -0.14 -0.02 0.00 -1.44 0.00 0.00 39.64 38.61 2khn n ILE 49 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 2khn s THR 50 N -1.06 0.00 0.17 7.28 2.01 -1.26 -4.96 115.64 117.82 2khn s THR 50 Ca 0.04 -1.41 -0.15 0.00 0.31 0.00 0.00 61.69 60.49 2khn s THR 50 Cb -0.00 -2.76 0.05 0.00 0.01 0.00 0.00 72.50 69.80 2khn s THR 50 CO 0.03 0.00 1.79 1.23 -0.69 0.00 0.00 174.62 176.97 2khn h GLY 51 N 2.05 0.62 1.00 4.40 0.00 -1.79 -1.01 103.07 108.34 2khn h GLY 51 Ca -0.30 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2khn h GLY 51 CO 0.39 0.12 0.42 -0.55 0.00 0.00 0.00 176.54 176.93 2khn h ASP 52 N 0.47 0.78 -0.49 0.19 3.32 -1.95 -1.67 116.42 117.06 2khn h ASP 52 Ca 0.19 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2khn h ASP 52 Cb 0.08 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2khn h ASP 52 CO -0.12 0.59 0.05 1.56 -1.72 0.00 0.00 179.24 179.59 2khn h GLN 53 N 0.90 0.89 0.13 3.56 1.08 -1.86 -1.03 115.11 118.78 2khn h GLN 53 Ca 0.24 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2khn h GLN 53 Cb -0.07 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 2khn h GLN 53 CO -0.05 0.86 -0.06 0.00 -0.95 0.00 0.00 178.83 178.62 2khn h ALA 54 N 1.21 -0.18 -0.03 3.87 0.00 -0.61 -1.81 119.26 121.71 2khn h ALA 54 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2khn h ALA 54 Cb 0.43 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2khn h ALA 54 CO 0.01 -0.60 0.01 0.00 0.00 0.00 0.00 179.25 178.67 2khn h ARG 55 N -0.18 0.02 -0.64 0.00 3.08 -1.16 -2.28 114.38 113.22 2khn h ARG 55 Ca -0.02 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.15 2khn h ARG 55 Cb 0.14 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.10 2khn h ARG 55 CO 0.03 0.02 0.19 -0.97 -1.07 0.00 0.00 179.97 178.17 2khn h ASN 56 N 0.02 0.12 -0.18 7.04 -1.24 -1.09 0.36 115.58 120.62 2khn h ASN 56 Ca 0.01 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 2khn h ASN 56 Cb 0.01 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 2khn h ASN 56 CO -0.02 0.06 0.09 0.15 -1.29 0.00 0.00 177.43 176.43 2khn h PHE 57 N 0.34 0.25 -0.43 0.67 3.04 -1.09 -1.05 116.94 118.67 2khn h PHE 57 Ca 0.34 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.27 2khn h PHE 57 Cb 0.49 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 2khn h PHE 57 CO -0.21 0.25 0.21 0.74 -2.02 0.00 0.00 178.31 177.28 2khn h PHE 58 N 0.17 0.58 -0.46 0.41 0.04 -0.72 -1.44 116.94 115.51 2khn h PHE 58 Ca 0.06 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 2khn h PHE 58 Cb 0.09 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 2khn h PHE 58 CO -0.03 0.42 0.02 0.35 -0.60 0.00 0.00 178.31 178.47 2khn h PHE 59 N 0.60 0.79 0.00 -0.55 3.57 0.25 -1.01 116.94 120.58 2khn h PHE 59 Ca 0.15 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2khn h PHE 59 Cb 0.05 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2khn h PHE 59 CO 0.00 0.73 0.00 1.04 -2.23 0.00 0.00 178.31 177.85 2khn n GLN 60 N -4.23 0.36 0.00 1.11 3.00 -0.45 -2.53 117.38 114.63 2khn n GLN 60 Ca 0.03 0.07 0.13 0.00 -0.01 0.00 0.00 57.00 57.21 2khn n GLN 60 Cb 0.28 -1.50 0.37 0.00 0.00 0.00 0.00 30.24 29.39 2khn n GLN 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2khn n SER 61 N -1.25 0.98 0.00 1.08 7.64 -0.39 -4.92 113.62 116.76 2khn n SER 61 Ca 0.11 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.15 2khn n SER 61 Cb 0.16 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2khn n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2khn n GLY 62 N 1.35 0.76 3.69 0.23 0.00 -1.05 -5.08 105.19 105.09 2khn n GLY 62 Ca 0.12 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 3.53 0.74 0.99 1.43 -1.23 -5.10 118.68 119.04 2khn s LEU 63 Ca 0.00 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 2khn s LEU 63 Cb 0.00 -2.03 0.04 0.00 0.03 0.00 0.00 46.19 44.22 2khn s LEU 63 CO 0.00 0.28 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 2khn s PRO 64 N -1.59 2.57 0.18 1.29 0.04 -1.26 -4.49 135.00 131.73 2khn s PRO 64 Ca 0.20 0.60 -0.20 0.00 0.04 0.00 0.00 61.00 61.64 2khn s PRO 64 Cb -0.12 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.56 2khn s PRO 64 CO 0.11 -1.27 1.61 1.96 0.04 0.00 0.00 177.00 179.44 2khn h GLN 65 N -0.83 -0.16 -0.86 4.56 1.08 -1.98 0.11 115.11 117.03 2khn h GLN 65 Ca -0.46 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 56.89 2khn h GLN 65 Cb 1.25 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.65 2khn h GLN 65 CO 0.61 -0.10 0.56 -1.35 -0.95 0.00 0.00 178.83 177.59 2khn h PRO 66 N -0.16 0.64 -0.20 1.46 0.11 -1.99 0.90 132.00 132.76 2khn h PRO 66 Ca 0.21 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.07 2khn h PRO 66 Cb 0.50 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.47 2khn h PRO 66 CO -0.55 0.42 -0.70 0.28 -0.21 0.00 0.00 178.00 177.24 2khn h VAL 67 N 0.66 1.28 0.42 3.15 2.07 -1.51 -2.19 116.25 120.13 2khn h VAL 67 Ca 0.42 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 2khn h VAL 67 Cb 0.69 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2khn h VAL 67 CO -0.18 0.61 -0.20 -0.07 0.02 0.00 0.00 177.57 177.74 2khn h LEU 68 N 0.57 -0.48 -1.08 2.57 3.38 0.47 -1.01 115.31 119.74 2khn h LEU 68 Ca -0.03 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2khn h LEU 68 Cb 1.32 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.13 2khn h LEU 68 CO 0.15 -0.26 0.62 0.00 0.09 0.00 0.00 178.44 179.03 2khn h ALA 69 N -0.13 1.45 -0.07 1.53 0.00 -0.97 -0.08 119.26 121.01 2khn h ALA 69 Ca -0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2khn h ALA 69 Cb 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2khn h ALA 69 CO 0.09 0.41 -0.38 0.37 0.00 0.00 0.00 179.25 179.74 2khn h GLN 70 N 1.11 0.13 -0.08 0.00 5.75 -1.17 0.22 115.11 121.08 2khn h GLN 70 Ca 0.41 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.80 2khn h GLN 70 Cb 0.18 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 2khn h GLN 70 CO -0.16 0.50 -0.15 0.82 -2.65 0.00 0.00 178.83 177.19 2khn h ILE 71 N 0.12 1.40 0.61 2.39 2.04 -0.06 -2.73 117.51 121.28 2khn h ILE 71 Ca 0.01 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 2khn h ILE 71 Cb 0.73 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2khn h ILE 71 CO 0.05 0.41 -0.36 -0.25 0.00 0.00 0.00 178.15 178.00 2khn h TRP 72 N -0.23 -0.94 0.00 1.37 7.01 -0.78 -1.28 115.95 121.10 2khn h TRP 72 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2khn h TRP 72 Cb 0.73 0.33 0.00 0.00 -2.10 0.00 0.00 29.16 28.12 2khn h TRP 72 CO 0.11 -0.55 0.00 0.00 -2.79 0.00 0.00 178.44 175.21 2khn n ALA 73 N -2.56 1.40 0.05 2.65 0.00 0.76 -1.21 120.51 121.60 2khn n ALA 73 Ca -0.13 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 2khn n ALA 73 Cb 0.39 -1.27 -0.15 0.00 0.00 0.00 0.00 19.45 18.42 2khn n ALA 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2khn h LEU 74 N 0.00 0.53 0.23 0.00 3.38 -1.14 -3.41 115.31 114.90 2khn h LEU 74 Ca 0.00 -0.88 -0.01 0.00 0.09 0.00 0.00 57.88 57.08 2khn h LEU 74 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2khn h LEU 74 CO 0.00 1.76 -0.11 0.00 0.09 0.00 0.00 178.44 180.18 2khn h ALA 75 N 0.16 -0.30 -1.59 1.53 0.00 0.03 -3.31 119.26 115.78 2khn h ALA 75 Ca -0.36 -0.15 -0.63 0.00 0.00 0.00 0.00 54.91 53.77 2khn h ALA 75 Cb 2.07 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 19.84 2khn h ALA 75 CO 0.15 -0.56 0.95 0.16 0.00 0.00 0.00 179.25 179.96 2khn s ASP 76 N -5.12 6.43 0.50 0.00 -4.77 -1.12 -4.78 116.67 107.81 2khn s ASP 76 Ca -0.15 -1.44 0.15 0.00 -3.30 0.00 0.00 52.55 47.81 2khn s ASP 76 Cb 0.03 -2.47 1.20 0.00 -1.09 0.00 0.00 42.92 40.60 2khn s ASP 76 CO 0.61 -1.36 2.12 0.00 0.70 0.00 0.00 175.17 177.23 2khn h MET 77 N 9.40 0.11 -0.00 2.11 -0.00 -1.82 0.61 114.93 125.34 2khn h MET 77 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2khn h MET 77 Cb 1.04 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 2khn h MET 77 CO 1.23 0.07 -0.09 0.27 -0.00 0.00 0.00 176.91 178.38 2khn n ASN 78 N -4.51 0.18 -3.31 -0.10 6.94 -1.26 -4.97 115.26 108.23 2khn n ASN 78 Ca -0.01 -0.03 -0.20 0.00 -0.02 0.00 0.00 54.58 54.33 2khn n ASN 78 Cb 0.13 -0.24 0.01 0.00 -2.36 0.00 0.00 39.78 37.33 2khn n ASN 78 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2khn n ASN 79 N -1.31 -6.46 0.08 0.53 4.05 0.21 -4.92 115.26 107.45 2khn n ASN 79 Ca 0.10 -0.15 -0.09 0.00 0.45 0.00 0.00 54.58 54.89 2khn n ASN 79 Cb 0.30 -3.38 -0.05 0.00 1.23 0.00 0.00 39.78 37.88 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 1.17 0.23 0.00 1.20 3.58 -1.94 -3.47 116.42 117.19 2khn h ASP 80 Ca -0.32 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2khn h ASP 80 Cb 1.22 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2khn h ASP 80 CO 0.27 1.06 0.00 0.61 -2.88 0.00 0.00 179.24 178.30 2khn n GLY 81 N 1.06 1.32 0.64 -0.78 0.00 -1.26 -4.78 105.19 101.39 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 -2.00 0.01 -1.46 1.61 1.74 -1.26 -4.51 116.66 110.79 2khn n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2khn n ARG 82 Cb 0.00 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 2khn n ARG 82 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 2khn n MET 83 N -2.84 -2.68 -1.53 5.56 0.00 -1.26 -4.02 117.12 110.35 2khn n MET 83 Ca -0.01 2.17 -0.11 0.00 -0.00 0.00 0.00 57.70 59.75 2khn n MET 83 Cb 0.51 -2.34 0.06 0.00 0.00 0.00 0.00 33.22 31.45 2khn n MET 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2khn n ASP 84 N 0.92 0.62 0.25 6.12 2.03 -1.26 -4.80 116.55 120.45 2khn n ASP 84 Ca 0.00 -1.53 0.11 0.00 0.52 0.00 0.00 54.79 53.89 2khn n ASP 84 Cb 0.00 -0.32 0.67 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.43 -0.67 7.50 -1.96 0.42 115.11 120.83 2khn h GLN 85 Ca -0.16 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 58.97 2khn h GLN 85 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.12 2khn h GLN 85 CO 0.17 0.14 -0.21 0.28 -1.50 0.00 0.00 178.83 177.72 2khn h VAL 86 N 0.00 0.39 -0.02 -0.54 2.07 -2.00 -0.88 116.25 115.27 2khn h VAL 86 Ca -0.00 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2khn h VAL 86 Cb 0.38 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2khn h VAL 86 CO 0.02 0.07 -0.21 -0.33 0.02 0.00 0.00 177.57 177.14 2khn h GLU 87 N -0.98 0.04 0.00 1.57 3.07 -1.82 -1.67 114.58 114.79 2khn h GLU 87 Ca -0.06 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 2khn h GLU 87 Cb 0.56 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2khn h GLU 87 CO 0.10 0.24 -0.39 0.35 -1.40 0.00 0.00 179.01 177.91 2khn h PHE 88 N 0.03 0.00 -0.14 4.33 3.57 -0.85 -2.32 116.94 121.57 2khn h PHE 88 Ca 0.01 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2khn h PHE 88 Cb 0.39 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2khn h PHE 88 CO 0.00 0.39 -0.10 0.77 -2.23 0.00 0.00 178.31 177.15 2khn h SER 89 N 0.00 0.33 0.49 0.41 0.02 -0.17 -2.85 113.55 111.77 2khn h SER 89 Ca -0.00 -0.44 -0.10 0.00 -0.84 0.00 0.00 61.79 60.41 2khn h SER 89 Cb 0.75 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2khn h SER 89 CO 0.05 0.70 -0.46 -0.29 -1.14 0.00 0.00 176.83 175.69 2khn h ILE 90 N -0.04 1.31 -0.34 3.27 2.10 -1.43 -2.58 117.51 119.79 2khn h ILE 90 Ca 0.03 -1.61 -0.07 0.00 1.08 0.00 0.00 64.86 64.29 2khn h ILE 90 Cb 0.59 1.87 -0.02 0.00 -1.09 0.00 0.00 36.82 38.18 2khn h ILE 90 CO 0.03 0.46 -0.09 0.00 -1.08 0.00 0.00 178.15 177.46 2khn h ALA 91 N 1.54 1.21 0.00 0.18 0.00 -1.38 -2.63 119.26 118.17 2khn h ALA 91 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2khn h ALA 91 Cb 0.84 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2khn h ALA 91 CO 0.06 0.51 0.00 0.52 0.00 0.00 0.00 179.25 180.34 2khn h MET 92 N 0.53 0.00 0.05 0.00 2.86 -1.22 -2.19 114.93 114.96 2khn h MET 92 Ca 0.10 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.41 2khn h MET 92 Cb 0.48 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 2khn h MET 92 CO 0.03 0.00 -1.88 1.17 1.06 0.00 0.00 176.91 177.29 2khn n LYS 93 N -2.30 0.68 -0.16 1.72 4.81 -1.01 -4.21 118.16 117.69 2khn n LYS 93 Ca 0.02 0.26 0.07 0.00 -0.87 0.00 0.00 58.31 57.80 2khn n LYS 93 Cb 0.24 -1.74 0.38 0.00 0.02 0.00 0.00 35.03 33.93 2khn n LYS 93 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2khn h LEU 94 N 0.03 0.61 -1.03 3.14 4.07 -1.18 -1.73 115.31 119.22 2khn h LEU 94 Ca -0.36 0.00 0.06 0.00 0.08 0.00 0.00 57.88 57.67 2khn h LEU 94 Cb 2.03 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 43.58 2khn h LEU 94 CO 0.08 0.39 0.64 0.40 -1.08 0.00 0.00 178.44 178.87 2khn h ILE 95 N 0.69 1.09 -0.35 1.22 2.04 -1.71 0.25 117.51 120.75 2khn h ILE 95 Ca 0.30 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 2khn h ILE 95 Cb 0.31 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2khn h ILE 95 CO -0.10 0.21 -0.06 0.11 0.00 0.00 0.00 178.15 178.31 2khn h LYS 96 N 1.17 0.66 -0.32 2.37 1.79 -1.53 -0.98 116.57 119.74 2khn h LYS 96 Ca 0.43 -0.24 -0.13 0.00 -2.18 0.00 0.00 60.65 58.52 2khn h LYS 96 Cb 0.16 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2khn h LYS 96 CO -0.17 0.81 -0.34 -0.07 -1.08 0.00 0.00 179.45 178.60 2khn h LEU 97 N 0.46 0.74 -0.06 2.94 -0.00 -1.32 -2.75 115.31 115.32 2khn h LEU 97 Ca 0.09 -0.31 -0.00 0.00 -0.00 0.00 0.00 57.88 57.66 2khn h LEU 97 Cb 0.56 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2khn h LEU 97 CO 0.03 1.02 0.03 0.50 -0.00 0.00 0.00 178.44 180.02 2khn h LYS 98 N 0.59 0.09 0.00 1.13 1.63 -0.34 -0.35 116.57 119.32 2khn h LYS 98 Ca 0.06 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 2khn h LYS 98 Cb 0.87 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 2khn h LYS 98 CO 0.08 0.16 -0.22 -0.07 -3.45 0.00 0.00 179.45 175.95 2khn h LEU 99 N -0.00 0.00 -1.26 5.20 3.38 -1.15 -2.91 115.31 118.56 2khn h LEU 99 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2khn h LEU 99 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2khn h LEU 99 CO -0.00 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.74 2khn n GLN 100 N -3.66 1.87 0.00 1.13 10.64 -1.04 -4.89 117.38 121.43 2khn n GLN 100 Ca -0.01 -1.26 0.00 0.00 -1.83 0.00 0.00 57.00 53.90 2khn n GLN 100 Cb 0.34 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 2khn n GLN 100 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2khn n GLY 101 N 1.23 0.97 3.91 2.61 0.00 -1.10 -5.08 105.19 107.72 2khn n GLY 101 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.40 3.55 0.00 1.61 2.02 -0.16 -4.99 117.35 118.98 2khn s TYR 102 Ca 0.00 0.79 0.00 0.00 -0.37 0.00 0.00 57.07 57.49 2khn s TYR 102 Cb 0.00 -2.27 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 2khn s TYR 102 CO 0.00 -0.22 0.00 0.00 -1.57 0.00 0.00 175.55 173.76 2khn n GLN 103 N -2.13 0.28 -1.05 -0.62 10.64 -1.26 -3.92 117.38 119.31 2khn n GLN 103 Ca 0.00 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.25 2khn n GLN 103 Cb 0.55 -0.56 -0.04 0.00 -0.86 0.00 0.00 30.24 29.33 2khn n GLN 103 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2khn n LEU 104 N -1.07 -0.91 0.00 2.61 4.32 -1.26 -4.93 117.00 115.76 2khn n LEU 104 Ca 0.00 1.83 0.00 0.00 -0.02 0.00 0.00 56.01 57.82 2khn n LEU 104 Cb 0.06 -2.06 0.00 0.00 -1.62 0.00 0.00 43.42 39.80 2khn n LEU 104 CO 0.00 -1.14 0.00 -0.81 -1.22 0.00 0.00 177.39 174.22 2khn n PRO 105 N -3.12 1.38 0.00 3.23 -0.05 -1.26 -4.95 135.00 130.23 2khn n PRO 105 Ca -0.04 0.00 0.14 0.00 -0.05 0.00 0.00 63.50 63.55 2khn n PRO 105 Cb 0.43 0.00 0.81 0.00 -0.05 0.00 0.00 33.50 34.69 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 -0.97 0.00 -4.07 3.54 7.64 -1.26 -4.59 113.62 113.91 2khn n SER 106 Ca 0.00 -0.77 -0.32 0.00 1.01 0.00 0.00 58.87 58.79 2khn n SER 106 Cb 0.00 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.00 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 -2.07 2.22 0.42 -0.43 0.00 -1.26 -4.80 121.76 115.83 2khn s ALA 107 Ca 0.40 -1.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2khn s ALA 107 Cb 0.19 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 2khn s ALA 107 CO 0.33 -0.58 0.67 -0.48 0.00 0.00 0.00 175.76 175.70 2khn s LEU 108 N 1.32 3.79 0.71 0.00 0.05 -1.26 -4.99 118.68 118.30 2khn s LEU 108 Ca 0.02 0.60 -0.16 0.00 0.05 0.00 0.00 54.13 54.63 2khn s LEU 108 Cb -0.15 -3.49 0.03 0.00 -2.05 0.00 0.00 46.19 40.53 2khn s LEU 108 CO -0.10 -0.49 1.26 -2.65 -0.55 0.00 0.00 176.35 173.81 2khn n PRO 109 N -2.03 0.73 0.15 1.48 -0.02 -1.26 -4.67 135.00 129.38 2khn n PRO 109 Ca -0.02 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 2khn n PRO 109 Cb 0.56 -2.50 0.54 0.00 -0.02 0.00 0.00 33.50 32.08 2khn n PRO 109 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2khn h PRO 110 N -0.06 0.00 0.00 0.52 0.11 -1.89 -2.63 132.00 128.05 2khn h PRO 110 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2khn h PRO 110 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2khn h PRO 110 CO 0.50 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.57 2khn h VAL 111 N 0.00 0.00 0.02 3.15 2.07 -1.90 0.44 116.25 120.03 2khn h VAL 111 Ca 0.00 -0.56 -0.34 0.00 0.82 0.00 0.00 66.70 66.62 2khn h VAL 111 Cb 0.32 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2khn h VAL 111 CO 0.00 0.00 -1.88 0.23 0.02 0.00 0.00 177.57 175.94 2khn n MET 112 N -3.05 0.61 -0.15 1.57 2.81 -0.99 -4.41 117.12 113.51 2khn n MET 112 Ca 0.01 0.39 -0.09 0.00 -1.81 0.00 0.00 57.70 56.21 2khn n MET 112 Cb 0.33 -1.64 0.05 0.00 -0.71 0.00 0.00 33.22 31.25 2khn n MET 112 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2khn h LYS 113 N -0.75 0.94 -3.00 0.03 2.10 -1.59 -3.48 116.57 110.82 2khn h LYS 113 Ca -0.49 -0.35 0.11 0.00 -2.00 0.00 0.00 60.65 57.92 2khn h LYS 113 Cb 1.57 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 32.78 2khn h LYS 113 CO -0.22 1.01 -0.90 1.04 -2.00 0.00 0.00 179.45 178.38 2khn n GLN 114 N -4.14 -3.13 -3.15 0.07 6.02 0.14 -2.84 117.38 110.35 2khn n GLN 114 Ca 0.01 2.48 0.05 0.00 -0.01 0.00 0.00 57.00 59.54 2khn n GLN 114 Cb 0.41 -3.26 -0.00 0.00 1.02 0.00 0.00 30.24 28.41 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 -4.74 0.22 0.00 -1.09 0.74 -1.20 -0.90 119.66 112.69 2khn s GLN 115 Ca 0.00 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.63 2khn s GLN 115 Cb 0.00 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.21 2khn s GLN 115 CO 0.00 -0.40 0.00 -0.35 -0.55 0.00 0.00 175.29 173.99 2khn n PRO 116 N 5.17 1.30 -2.64 1.67 -0.04 -1.26 -5.01 135.00 134.19 2khn n PRO 116 Ca 0.08 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.14 2khn n PRO 116 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 2khn n PRO 116 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2khn s VAL 117 N 0.10 3.98 -0.46 0.52 1.01 -1.26 -4.99 120.40 119.30 2khn s VAL 117 Ca 0.00 1.86 0.06 0.00 0.00 0.00 0.00 61.98 63.90 2khn s VAL 117 Cb 0.00 -4.19 0.19 0.00 0.00 0.00 0.00 36.38 32.38 2khn s VAL 117 CO 0.00 0.39 0.71 0.00 0.00 0.00 0.00 175.10 176.20 2khn s ALA 118 N -0.76 -2.41 -0.23 5.51 0.00 -1.26 -5.12 121.76 117.50 2khn s ALA 118 Ca 0.45 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 2khn s ALA 118 Cb -0.27 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2khn s ALA 118 CO 0.34 -2.25 1.86 -1.50 0.00 0.00 0.00 175.76 174.21 2khn s ILE 119 N 1.36 3.39 -0.37 0.00 2.07 -1.26 -4.95 121.20 121.43 2khn s ILE 119 Ca 0.23 0.42 -0.16 0.00 -1.41 0.00 0.00 60.65 59.73 2khn s ILE 119 Cb -0.01 -3.45 -0.00 0.00 0.13 0.00 0.00 42.46 39.13 2khn s ILE 119 CO -0.06 -0.23 0.39 -0.94 -1.91 0.00 0.00 174.94 172.18 2khn s SER 120 N 5.83 6.19 0.00 4.50 1.04 -1.26 -5.33 113.70 124.66 2khn s SER 120 Ca 0.83 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2khn s SER 120 Cb -0.28 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2khn s SER 120 CO 0.33 -0.42 0.00 -1.20 0.98 0.00 0.00 173.24 172.94