#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 0.65 2.30 3.03 0.00 -1.26 -4.96 105.19 104.95 2khn n GLY 2 Ca 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 2khn n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2khn n HIS 3 N 6.93 -0.73 -2.98 1.61 -0.00 -1.26 -4.98 115.22 113.80 2khn n HIS 3 Ca 0.00 0.06 -0.43 0.00 -0.00 0.00 0.00 57.72 57.35 2khn n HIS 3 Cb 0.00 -2.93 -0.06 0.00 -0.00 0.00 0.00 29.99 27.00 2khn n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2khn s HIS 4 N -2.70 3.03 -1.07 4.41 4.02 -1.26 -4.98 115.29 116.73 2khn s HIS 4 Ca 0.03 0.22 -0.06 0.00 1.02 0.00 0.00 55.06 56.28 2khn s HIS 4 Cb -0.01 -3.56 0.29 0.00 -1.02 0.00 0.00 32.58 28.28 2khn s HIS 4 CO 0.04 -0.91 1.27 1.58 1.02 0.00 0.00 174.74 177.74 2khn n HIS 5 N 6.59 3.68 -1.11 1.40 -0.00 -1.26 -4.61 115.22 119.91 2khn n HIS 5 Ca 0.02 -3.28 0.07 0.00 -0.00 0.00 0.00 57.72 54.53 2khn n HIS 5 Cb 0.48 -1.42 0.10 0.00 -0.00 0.00 0.00 29.99 29.15 2khn n HIS 5 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2khn n HIS 6 N 1.92 0.00 -2.70 1.57 -0.00 -1.26 -4.99 115.22 109.75 2khn n HIS 6 Ca 0.25 -0.77 -0.43 0.00 -0.00 0.00 0.00 57.72 56.77 2khn n HIS 6 Cb 0.36 -0.12 -0.03 0.00 -0.00 0.00 0.00 29.99 30.20 2khn n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2khn s HIS 7 N -2.17 3.07 -0.39 -1.40 0.09 -1.26 -4.99 115.29 108.24 2khn s HIS 7 Ca 0.23 0.95 0.01 0.00 -0.00 0.00 0.00 55.06 56.26 2khn s HIS 7 Cb 0.20 -3.78 0.12 0.00 -0.00 0.00 0.00 32.58 29.12 2khn s HIS 7 CO 0.02 -0.86 0.19 -1.01 -0.00 0.00 0.00 174.74 173.08 2khn s HIS 8 N 3.70 1.89 -0.29 1.40 4.02 -1.26 -5.04 115.29 119.71 2khn s HIS 8 Ca 0.43 -2.19 0.01 0.00 1.02 0.00 0.00 55.06 54.33 2khn s HIS 8 Cb -0.11 -1.82 0.16 0.00 -1.02 0.00 0.00 32.58 29.79 2khn s HIS 8 CO 0.19 -0.82 0.40 -1.12 1.02 0.00 0.00 174.74 174.41 2khn s SER 9 N 0.79 0.49 -0.14 1.40 0.01 -1.26 -5.12 113.70 109.87 2khn s SER 9 Ca 0.15 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 57.02 2khn s SER 9 Cb -0.22 1.05 0.06 0.00 0.21 0.00 0.00 66.02 67.12 2khn s SER 9 CO -0.07 -0.35 0.12 -1.00 0.41 0.00 0.00 173.24 172.34 2khn s HIS 10 N 2.53 0.03 -0.06 2.43 0.09 -1.26 -5.14 115.29 113.91 2khn s HIS 10 Ca 0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 55.06 55.13 2khn s HIS 10 Cb -0.13 -0.53 0.02 0.00 -0.00 0.00 0.00 32.58 31.94 2khn s HIS 10 CO -0.29 -0.44 0.14 0.00 -0.00 0.00 0.00 174.74 174.15 2khn s MET 11 N 2.20 0.13 -0.05 1.40 0.00 -1.26 -5.15 119.30 116.57 2khn s MET 11 Ca 0.04 0.26 0.04 0.00 0.00 0.00 0.00 55.69 56.02 2khn s MET 11 Cb -0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 34.83 34.63 2khn s MET 11 CO -0.08 -0.08 -0.14 0.00 0.00 0.00 0.00 175.02 174.72 2khn s ALA 12 N 0.50 2.66 -0.11 3.16 0.00 -1.26 -5.12 121.76 121.60 2khn s ALA 12 Ca -0.04 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2khn s ALA 12 Cb -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.11 2khn s ALA 12 CO -0.02 0.55 -0.14 -0.65 0.00 0.00 0.00 175.76 175.50 2khn s GLN 13 N -0.71 2.05 -0.28 0.00 -0.21 -1.26 -5.10 119.66 114.16 2khn s GLN 13 Ca 0.11 -0.49 0.03 0.00 0.02 0.00 0.00 55.36 55.02 2khn s GLN 13 Cb -0.11 -1.79 0.07 0.00 1.00 0.00 0.00 33.01 32.19 2khn s GLN 13 CO 0.01 -0.09 -0.06 -0.06 -2.12 0.00 0.00 175.29 172.96 2khn s PHE 14 N 1.08 3.25 0.34 0.91 0.08 -1.26 -5.11 117.98 117.26 2khn s PHE 14 Ca -0.05 -2.41 -0.29 0.00 0.12 0.00 0.00 56.93 54.30 2khn s PHE 14 Cb -0.15 -2.12 -0.10 0.00 -0.57 0.00 0.00 43.02 40.08 2khn s PHE 14 CO -0.02 -0.88 1.33 -1.25 -0.10 0.00 0.00 175.22 174.29 2khn s PRO 15 N 1.10 4.33 -0.10 0.24 0.04 -1.26 -5.00 135.00 134.35 2khn s PRO 15 Ca -0.04 2.26 -0.22 0.00 0.04 0.00 0.00 61.00 63.05 2khn s PRO 15 Cb -0.20 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2khn s PRO 15 CO -0.06 -0.23 0.64 0.95 0.04 0.00 0.00 177.00 178.33 2khn s THR 16 N -1.14 5.08 0.43 1.26 -4.23 -1.26 -5.05 115.64 110.73 2khn s THR 16 Ca 0.49 1.29 -0.23 0.00 -1.18 0.00 0.00 61.69 62.06 2khn s THR 16 Cb -0.41 -3.97 -0.08 0.00 1.34 0.00 0.00 72.50 69.38 2khn s THR 16 CO 0.54 0.25 1.10 -2.16 -0.54 0.00 0.00 174.62 173.81 2khn s PRO 17 N 0.91 3.96 -0.42 3.99 0.04 -1.26 -4.46 135.00 137.76 2khn s PRO 17 Ca 0.33 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 2khn s PRO 17 Cb -0.17 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.93 2khn s PRO 17 CO 0.15 -0.34 0.57 1.19 0.04 0.00 0.00 177.00 178.60 2khn n PHE 18 N -0.31 -3.27 -3.81 0.56 3.72 -1.26 -5.01 117.46 108.09 2khn n PHE 18 Ca 0.06 1.31 -0.37 0.00 -0.05 0.00 0.00 57.45 58.41 2khn n PHE 18 Cb 0.49 -3.94 -0.13 0.00 -0.94 0.00 0.00 39.48 34.96 2khn n PHE 18 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2khn s GLY 19 N -2.53 1.79 0.00 1.37 0.00 -1.26 -5.00 107.32 101.68 2khn s GLY 19 Ca 0.22 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2khn s GLY 19 CO 0.72 0.71 0.00 0.61 0.00 0.00 0.00 173.10 175.14 2khn n GLY 20 N 4.76 -0.60 3.88 0.20 0.00 -1.26 -5.15 105.19 107.02 2khn n GLY 20 Ca -0.13 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.00 6.24 0.45 1.61 0.01 -1.26 -5.09 113.70 111.65 2khn s SER 21 Ca 0.00 1.33 0.07 0.00 1.31 0.00 0.00 55.95 58.65 2khn s SER 21 Cb 0.00 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 2khn s SER 21 CO 0.00 -0.81 0.26 -0.76 0.41 0.00 0.00 173.24 172.34 2khn s LEU 22 N -5.10 3.04 -0.29 2.44 1.02 -1.26 -5.02 118.68 113.51 2khn s LEU 22 Ca 0.54 -1.08 -0.00 0.00 0.02 0.00 0.00 54.13 53.60 2khn s LEU 22 Cb -0.11 -1.47 0.25 0.00 0.02 0.00 0.00 46.19 44.88 2khn s LEU 22 CO 0.52 -0.71 1.84 -0.90 0.02 0.00 0.00 176.35 177.12 2khn n ASP 23 N -1.42 5.51 0.25 2.29 5.75 -1.26 -4.52 116.55 123.14 2khn n ASP 23 Ca -0.01 -2.98 -0.10 0.00 -0.01 0.00 0.00 54.79 51.69 2khn n ASP 23 Cb 0.64 -0.93 -0.05 0.00 -1.03 0.00 0.00 41.12 39.75 2khn n ASP 23 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2khn h THR 24 N 0.84 0.00 0.00 2.12 2.02 -2.02 -3.33 112.91 112.54 2khn h THR 24 Ca 0.30 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.27 2khn h THR 24 Cb 1.22 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2khn h THR 24 CO 0.69 0.00 -1.29 0.79 0.37 0.00 0.00 175.52 176.08 2khn n TRP 25 N -4.07 0.93 -2.05 3.16 7.02 -1.26 -4.90 117.44 116.26 2khn n TRP 25 Ca -0.08 0.29 -0.38 0.00 -1.02 0.00 0.00 57.50 56.31 2khn n TRP 25 Cb 0.26 -1.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.14 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 -3.12 3.07 -0.61 6.99 0.00 -1.25 -4.47 121.76 122.37 2khn s ALA 26 Ca -0.02 1.17 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 2khn s ALA 26 Cb 0.09 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.79 2khn s ALA 26 CO 0.81 -0.90 0.95 0.42 0.00 0.00 0.00 175.76 177.03 2khn s ILE 27 N -1.36 4.35 0.82 0.00 1.01 -1.25 -4.82 121.20 119.96 2khn s ILE 27 Ca 0.62 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 2khn s ILE 27 Cb -0.36 -4.62 0.09 0.00 0.01 0.00 0.00 42.46 37.58 2khn s ILE 27 CO 0.44 -1.31 1.12 -0.89 0.00 0.00 0.00 174.94 174.30 2khn s THR 28 N 4.00 2.75 0.42 2.92 2.01 -1.26 -4.72 115.64 121.77 2khn s THR 28 Ca 0.25 0.26 0.18 0.00 0.31 0.00 0.00 61.69 62.68 2khn s THR 28 Cb -0.15 -2.57 0.38 0.00 0.01 0.00 0.00 72.50 70.17 2khn s THR 28 CO 0.14 -0.30 1.87 1.62 -0.69 0.00 0.00 174.62 177.25 2khn h VAL 29 N -1.30 0.70 -0.14 3.82 3.04 -1.98 0.32 116.25 120.72 2khn h VAL 29 Ca -0.44 -0.14 -0.04 0.00 -1.01 0.00 0.00 66.70 65.08 2khn h VAL 29 Cb 1.25 0.27 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2khn h VAL 29 CO 0.47 0.07 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.71 2khn h GLU 30 N 0.39 0.28 -0.67 4.17 5.08 -1.99 -1.32 114.58 120.53 2khn h GLU 30 Ca 0.44 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2khn h GLU 30 Cb 1.11 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2khn h GLU 30 CO -0.16 0.61 0.33 0.93 -1.00 0.00 0.00 179.01 179.73 2khn h GLU 31 N -0.05 0.94 -0.44 2.33 4.39 -1.55 0.21 114.58 120.40 2khn h GLU 31 Ca 0.03 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2khn h GLU 31 Cb 0.53 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2khn h GLU 31 CO 0.02 0.72 0.21 -0.09 -1.16 0.00 0.00 179.01 178.70 2khn h ARG 32 N 0.94 0.61 0.00 2.33 1.12 -0.23 -1.75 114.38 117.40 2khn h ARG 32 Ca 0.23 -0.07 -0.08 0.00 -1.11 0.00 0.00 59.98 58.95 2khn h ARG 32 Cb 0.08 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 2khn h ARG 32 CO -0.03 0.48 -0.84 0.00 -3.11 0.00 0.00 179.97 176.46 2khn h ALA 33 N 1.62 0.67 -0.21 2.80 0.00 -0.40 -3.37 119.26 120.37 2khn h ALA 33 Ca 0.15 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2khn h ALA 33 Cb 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2khn h ALA 33 CO -0.02 0.47 -0.40 -0.22 0.00 0.00 0.00 179.25 179.08 2khn h LYS 34 N 0.00 0.49 -0.63 0.00 1.63 0.30 -3.11 116.57 115.25 2khn h LYS 34 Ca -0.05 -0.24 0.07 0.00 -0.85 0.00 0.00 60.65 59.57 2khn h LYS 34 Cb 1.30 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.89 2khn h LYS 34 CO 0.03 0.81 0.42 1.12 -3.45 0.00 0.00 179.45 178.38 2khn h HIS 35 N 0.41 0.60 -0.53 1.91 2.07 -1.67 -1.77 115.15 116.17 2khn h HIS 35 Ca 0.04 0.02 -0.11 0.00 -2.85 0.00 0.00 60.37 57.46 2khn h HIS 35 Cb 0.87 -0.20 -0.02 0.00 2.57 0.00 0.00 27.41 30.64 2khn h HIS 35 CO 0.03 0.31 -0.11 0.22 -3.07 0.00 0.00 177.93 175.31 2khn h ASP 36 N 0.59 0.99 -0.40 3.10 1.82 -1.80 -0.14 116.42 120.59 2khn h ASP 36 Ca 0.28 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2khn h ASP 36 Cb 0.33 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 2khn h ASP 36 CO -0.09 1.10 0.26 -0.61 -1.61 0.00 0.00 179.24 178.30 2khn h GLN 37 N 0.88 0.53 -0.22 0.28 4.15 -1.44 0.35 115.11 119.63 2khn h GLN 37 Ca 0.14 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 2khn h GLN 37 Cb 0.67 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 2khn h GLN 37 CO 0.05 0.36 -0.17 1.96 -1.93 0.00 0.00 178.83 179.09 2khn h GLN 38 N 0.53 0.51 -0.84 1.69 7.50 -1.33 -2.63 115.11 120.54 2khn h GLN 38 Ca 0.14 -0.25 -0.03 0.00 0.50 0.00 0.00 58.65 59.01 2khn h GLN 38 Cb -0.04 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.45 2khn h GLN 38 CO -0.03 0.82 0.41 0.35 -1.50 0.00 0.00 178.83 178.88 2khn h PHE 39 N 0.20 1.20 -0.16 2.96 3.57 -0.84 -2.02 116.94 121.85 2khn h PHE 39 Ca 0.04 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2khn h PHE 39 Cb 0.71 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2khn h PHE 39 CO 0.07 0.86 0.03 0.45 -2.23 0.00 0.00 178.31 177.50 2khn h HIS 40 N 1.19 0.22 0.00 0.41 3.86 -0.22 -2.02 115.15 118.60 2khn h HIS 40 Ca 0.29 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2khn h HIS 40 Cb 0.11 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2khn h HIS 40 CO 0.01 0.21 0.00 0.77 0.86 0.00 0.00 177.93 179.78 2khn h SER 41 N 0.22 0.00 -0.03 2.45 0.02 -0.99 -3.08 113.55 112.15 2khn h SER 41 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2khn h SER 41 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2khn h SER 41 CO -0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 2khn n LEU 42 N -3.01 0.31 -3.18 5.07 4.77 -0.76 -4.93 117.00 115.27 2khn n LEU 42 Ca 0.03 -0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 2khn n LEU 42 Cb 0.42 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2khn n LEU 42 CO 0.30 0.06 0.12 0.29 -1.33 0.00 0.00 177.39 176.84 2khn n LYS 43 N -0.60 -1.67 -1.63 3.23 5.02 -1.17 -4.86 118.16 116.48 2khn n LYS 43 Ca 0.15 1.51 -0.50 0.00 -2.02 0.00 0.00 58.31 57.45 2khn n LYS 43 Cb 0.12 -4.81 -0.05 0.00 -0.02 0.00 0.00 35.03 30.27 2khn n LYS 43 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2khn n PRO 44 N -1.43 1.56 0.21 1.97 -0.02 -1.26 -4.85 135.00 131.18 2khn n PRO 44 Ca -0.04 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 62.08 2khn n PRO 44 Cb 0.54 -2.27 0.47 0.00 -0.02 0.00 0.00 33.50 32.23 2khn n PRO 44 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2khn h ILE 45 N 3.74 0.92 0.00 4.25 2.10 -1.79 -3.42 117.51 123.32 2khn h ILE 45 Ca -0.47 -1.08 0.00 0.00 1.08 0.00 0.00 64.86 64.39 2khn h ILE 45 Cb 1.30 1.64 0.00 0.00 -1.09 0.00 0.00 36.82 38.67 2khn h ILE 45 CO 0.84 0.28 0.00 -1.20 -1.08 0.00 0.00 178.15 176.99 2khn n SER 46 N -3.79 -0.05 -0.50 2.19 7.64 -1.26 -4.97 113.62 112.87 2khn n SER 46 Ca -0.01 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2khn n SER 46 Cb 0.38 0.11 0.00 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 1.24 0.71 3.83 0.23 0.00 -1.26 -5.13 105.19 104.82 2khn n GLY 47 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.05 0.00 1.61 -0.12 -1.26 -4.99 117.98 113.27 2khn s PHE 48 Ca 0.00 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.30 2khn s PHE 48 Cb 0.00 0.76 0.00 0.00 -0.63 0.00 0.00 43.02 43.15 2khn s PHE 48 CO 0.00 -1.26 0.00 0.44 -0.05 0.00 0.00 175.22 174.35 2khn n ILE 49 N -0.58 0.00 -4.08 -4.49 -5.35 -1.26 -2.30 119.36 101.30 2khn n ILE 49 Ca -0.06 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.28 2khn n ILE 49 Cb 0.60 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.45 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 -0.57 0.00 0.48 7.28 -1.32 -1.23 -4.85 115.64 115.43 2khn s THR 50 Ca 0.00 -1.59 0.16 0.00 -1.21 0.00 0.00 61.69 59.06 2khn s THR 50 Cb 0.00 -2.57 0.32 0.00 -1.51 0.00 0.00 72.50 68.74 2khn s THR 50 CO 0.00 0.00 2.04 1.23 -2.21 0.00 0.00 174.62 175.68 2khn h GLY 51 N 2.16 0.27 1.02 6.08 0.00 -1.38 -0.88 103.07 110.33 2khn h GLY 51 Ca -0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2khn h GLY 51 CO 0.39 0.06 0.51 -1.80 0.00 0.00 0.00 176.54 175.70 2khn h ASP 52 N 0.21 1.03 -0.22 0.19 3.58 -1.92 0.22 116.42 119.51 2khn h ASP 52 Ca 0.18 -0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.41 2khn h ASP 52 Cb 0.43 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2khn h ASP 52 CO -0.03 0.80 -0.43 1.56 -2.88 0.00 0.00 179.24 178.26 2khn h GLN 53 N 1.18 0.68 -0.34 0.28 1.08 -1.60 -3.01 115.11 113.38 2khn h GLN 53 Ca 0.31 -0.44 0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2khn h GLN 53 Cb -0.04 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 2khn h GLN 53 CO -0.06 1.06 0.17 0.00 -0.95 0.00 0.00 178.83 179.06 2khn h ALA 54 N 0.62 0.41 -0.95 3.87 0.00 -0.83 0.07 119.26 122.45 2khn h ALA 54 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2khn h ALA 54 Cb 1.04 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2khn h ALA 54 CO 0.10 -0.20 0.61 -0.09 0.00 0.00 0.00 179.25 179.67 2khn h ARG 55 N 0.36 1.26 -0.02 0.00 2.43 -0.61 0.19 114.38 117.99 2khn h ARG 55 Ca 0.14 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 59.04 2khn h ARG 55 Cb 0.04 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 2khn h ARG 55 CO -0.09 0.85 -0.81 -0.91 -1.51 0.00 0.00 179.97 177.50 2khn h ASN 56 N 1.29 0.28 -0.44 -3.80 2.35 -1.34 -1.71 115.58 112.22 2khn h ASN 56 Ca 0.35 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2khn h ASN 56 Cb -0.12 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2khn h ASN 56 CO -0.07 0.97 0.24 0.15 -1.65 0.00 0.00 177.43 177.07 2khn h PHE 57 N 0.14 0.60 -0.42 1.19 3.04 -0.18 -1.58 116.94 119.72 2khn h PHE 57 Ca -0.04 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 61.98 2khn h PHE 57 Cb 1.41 -0.19 -0.07 0.00 2.56 0.00 0.00 35.95 39.66 2khn h PHE 57 CO 0.03 0.45 0.01 0.74 -2.02 0.00 0.00 178.31 177.52 2khn h PHE 58 N 0.57 -0.01 -0.27 0.41 0.04 -0.52 -2.91 116.94 114.25 2khn h PHE 58 Ca 0.15 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.98 2khn h PHE 58 Cb 0.05 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 2khn h PHE 58 CO -0.02 -0.08 0.11 0.35 -0.60 0.00 0.00 178.31 178.07 2khn h PHE 59 N 0.12 0.20 0.00 -0.55 3.57 -0.85 -1.78 116.94 117.64 2khn h PHE 59 Ca 0.21 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2khn h PHE 59 Cb 0.30 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2khn h PHE 59 CO -0.27 0.10 0.00 0.00 -2.23 0.00 0.00 178.31 175.91 2khn n GLN 60 N -5.01 0.41 0.13 1.11 10.64 -0.64 -1.65 117.38 122.38 2khn n GLN 60 Ca -0.01 0.06 0.12 0.00 -1.83 0.00 0.00 57.00 55.34 2khn n GLN 60 Cb 0.08 -1.50 0.16 0.00 -0.86 0.00 0.00 30.24 28.13 2khn n GLN 60 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 2khn h SER 61 N 0.00 0.00 -0.35 2.61 0.02 -1.15 -3.48 113.55 111.21 2khn h SER 61 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2khn h SER 61 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2khn h SER 61 CO 0.00 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 2khn n GLY 62 N 1.21 1.03 3.18 -3.77 0.00 -0.66 -5.09 105.19 101.10 2khn n GLY 62 Ca 0.03 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.35 2.29 0.52 0.99 1.43 -1.26 -5.10 118.68 117.20 2khn s LEU 63 Ca 0.00 -0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 52.27 2khn s LEU 63 Cb 0.00 -0.52 -0.06 0.00 0.03 0.00 0.00 46.19 45.64 2khn s LEU 63 CO 0.00 -0.08 1.13 -2.84 0.23 0.00 0.00 176.35 174.80 2khn s PRO 64 N -1.80 3.46 0.23 1.29 0.02 -1.26 -4.68 135.00 132.25 2khn s PRO 64 Ca -0.01 1.64 -0.07 0.00 0.02 0.00 0.00 61.00 62.58 2khn s PRO 64 Cb -0.10 -2.10 0.36 0.00 0.02 0.00 0.00 34.50 32.69 2khn s PRO 64 CO 0.02 -0.77 1.75 1.96 -0.33 0.00 0.00 177.00 179.64 2khn h GLN 65 N 1.40 0.49 -0.98 5.54 4.20 -1.98 0.52 115.11 124.30 2khn h GLN 65 Ca -0.50 -0.03 0.24 0.00 0.06 0.00 0.00 58.65 58.43 2khn h GLN 65 Cb 1.26 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.85 2khn h GLN 65 CO 0.58 0.32 0.65 -1.35 -0.67 0.00 0.00 178.83 178.36 2khn h PRO 66 N 0.51 0.32 0.05 1.46 0.11 -2.00 0.22 132.00 132.67 2khn h PRO 66 Ca 0.36 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 66.19 2khn h PRO 66 Cb 0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 2khn h PRO 66 CO -0.32 0.21 -1.31 0.28 -0.21 0.00 0.00 178.00 176.65 2khn h VAL 67 N 0.33 1.37 -0.11 3.15 2.07 -1.34 -3.24 116.25 118.49 2khn h VAL 67 Ca 0.52 -3.07 -0.02 0.00 0.82 0.00 0.00 66.70 64.95 2khn h VAL 67 Cb 1.44 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 33.96 2khn h VAL 67 CO -0.19 0.83 -0.01 -0.07 0.02 0.00 0.00 177.57 178.14 2khn h LEU 68 N 0.03 0.20 -2.12 2.57 3.38 0.51 -2.84 115.31 117.04 2khn h LEU 68 Ca -0.14 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2khn h LEU 68 Cb 1.91 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 2khn h LEU 68 CO 0.14 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.17 2khn h ALA 69 N 0.71 1.89 -0.66 1.53 0.00 -0.79 -0.71 119.26 121.24 2khn h ALA 69 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2khn h ALA 69 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2khn h ALA 69 CO 0.01 -0.00 0.37 0.37 0.00 0.00 0.00 179.25 180.00 2khn h GLN 70 N 0.00 0.91 -0.22 0.00 -0.00 -1.52 0.25 115.11 114.53 2khn h GLN 70 Ca 0.00 -0.10 -0.04 0.00 -0.00 0.00 0.00 58.65 58.51 2khn h GLN 70 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.30 2khn h GLN 70 CO -0.00 0.67 -0.03 0.82 0.00 0.00 0.00 178.83 180.30 2khn h ILE 71 N 0.90 1.27 -0.73 2.39 2.04 -1.07 -2.97 117.51 119.33 2khn h ILE 71 Ca 0.23 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 2khn h ILE 71 Cb 0.02 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2khn h ILE 71 CO -0.04 0.30 0.21 -0.25 0.00 0.00 0.00 178.15 178.37 2khn h TRP 72 N 0.15 1.19 0.00 1.37 7.01 -1.09 0.13 115.95 124.71 2khn h TRP 72 Ca 0.06 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 60.91 2khn h TRP 72 Cb 0.46 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 2khn h TRP 72 CO 0.04 0.94 -0.11 0.00 -2.79 0.00 0.00 178.44 176.52 2khn h ALA 73 N 1.13 1.31 0.02 2.65 0.00 -0.48 -2.39 119.26 121.51 2khn h ALA 73 Ca 0.23 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.73 2khn h ALA 73 Cb 0.32 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2khn h ALA 73 CO -0.01 0.14 -1.81 1.28 0.00 0.00 0.00 179.25 178.86 2khn n LEU 74 N -3.68 1.06 0.01 0.00 4.77 -0.82 -4.72 117.00 113.61 2khn n LEU 74 Ca -0.02 0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2khn n LEU 74 Cb 0.23 0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2khn n LEU 74 CO 0.30 0.46 0.42 0.00 -1.33 0.00 0.00 177.39 177.24 2khn h ALA 75 N 0.87 -0.85 -1.39 -1.18 0.00 -0.22 -3.33 119.26 113.16 2khn h ALA 75 Ca -0.33 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.04 2khn h ALA 75 Cb 2.03 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.75 2khn h ALA 75 CO 0.07 -0.84 1.04 0.16 0.00 0.00 0.00 179.25 179.68 2khn s ASP 76 N -2.19 6.19 0.54 0.00 -4.77 -1.23 -4.64 116.67 110.57 2khn s ASP 76 Ca -0.00 -0.40 0.30 0.00 -3.30 0.00 0.00 52.55 49.15 2khn s ASP 76 Cb 0.00 -2.56 1.47 0.00 -1.09 0.00 0.00 42.92 40.74 2khn s ASP 76 CO 0.01 -1.79 1.91 0.24 0.70 0.00 0.00 175.17 176.24 2khn h MET 77 N 9.96 0.00 0.00 2.11 2.86 -1.88 0.85 114.93 128.84 2khn h MET 77 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2khn h MET 77 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2khn h MET 77 CO 1.27 0.00 0.00 -1.71 1.06 0.00 0.00 176.91 177.53 2khn n ASN 78 N -4.22 0.19 -3.53 1.22 5.15 -1.26 -4.90 115.26 107.90 2khn n ASN 78 Ca 0.16 0.52 -0.20 0.00 -0.60 0.00 0.00 54.58 54.46 2khn n ASN 78 Cb 0.87 -0.57 0.06 0.00 -0.53 0.00 0.00 39.78 39.60 2khn n ASN 78 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2khn n ASN 79 N -1.68 -3.02 0.05 1.20 4.05 0.30 -4.92 115.26 111.24 2khn n ASN 79 Ca 0.06 -0.77 -0.05 0.00 0.45 0.00 0.00 54.58 54.27 2khn n ASN 79 Cb 0.33 -4.51 -0.10 0.00 1.23 0.00 0.00 39.78 36.73 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 -1.72 0.00 0.00 1.20 1.82 -1.91 -3.47 116.42 112.34 2khn h ASP 80 Ca -0.61 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 2khn h ASP 80 Cb 1.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 2khn h ASP 80 CO 0.51 0.89 0.00 0.61 -1.61 0.00 0.00 179.24 179.64 2khn n GLY 81 N 1.37 0.64 0.18 -0.78 0.00 -1.26 -4.95 105.19 100.40 2khn n GLY 81 Ca -0.04 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.62 0.52 -3.17 1.61 1.74 -1.26 -1.91 116.66 111.56 2khn n ARG 82 Ca 0.00 0.16 -0.19 0.00 -0.77 0.00 0.00 57.85 57.05 2khn n ARG 82 Cb 0.00 -1.39 0.02 0.00 -1.02 0.00 0.00 32.46 30.07 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 -3.50 -2.06 -1.37 5.56 0.00 -1.26 -3.35 117.12 111.14 2khn n MET 83 Ca -0.41 1.72 -0.30 0.00 -0.00 0.00 0.00 57.70 58.71 2khn n MET 83 Cb 0.87 -4.18 0.20 0.00 0.00 0.00 0.00 33.22 30.12 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 -2.28 2.12 0.45 6.12 -1.08 -1.26 -4.55 116.67 116.19 2khn s ASP 84 Ca 0.25 0.68 0.11 0.00 -0.52 0.00 0.00 52.55 53.08 2khn s ASP 84 Cb -0.05 -1.00 1.01 0.00 -1.46 0.00 0.00 42.92 41.43 2khn s ASP 84 CO 0.82 -3.39 2.07 1.56 0.52 0.00 0.00 175.17 176.75 2khn h GLN 85 N -2.08 0.26 -0.06 4.34 7.50 -1.94 0.80 115.11 123.93 2khn h GLN 85 Ca -0.47 -0.02 -0.09 0.00 0.50 0.00 0.00 58.65 58.57 2khn h GLN 85 Cb 1.29 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.77 2khn h GLN 85 CO 0.43 0.22 -0.32 0.28 -1.50 0.00 0.00 178.83 177.94 2khn h VAL 86 N 0.26 1.44 -0.50 -0.54 2.07 -1.98 -1.10 116.25 115.89 2khn h VAL 86 Ca 0.07 -1.75 -0.09 0.00 0.82 0.00 0.00 66.70 65.75 2khn h VAL 86 Cb 0.05 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2khn h VAL 86 CO -0.01 0.50 -0.06 -0.33 0.02 0.00 0.00 177.57 177.69 2khn h GLU 87 N -0.19 0.89 0.00 1.57 4.39 -1.60 -1.05 114.58 118.60 2khn h GLU 87 Ca -0.02 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 2khn h GLU 87 Cb 0.98 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2khn h GLU 87 CO 0.07 0.93 -0.29 0.35 -1.16 0.00 0.00 179.01 178.90 2khn h PHE 88 N 0.81 0.00 -0.18 4.33 3.57 0.54 -1.80 116.94 124.20 2khn h PHE 88 Ca 0.14 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 2khn h PHE 88 Cb 0.57 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2khn h PHE 88 CO 0.03 0.29 -0.24 1.03 -2.23 0.00 0.00 178.31 177.20 2khn h SER 89 N 0.00 0.33 0.60 0.41 0.87 0.16 0.40 113.55 116.32 2khn h SER 89 Ca -0.00 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.34 2khn h SER 89 Cb 0.53 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2khn h SER 89 CO 0.04 0.57 -1.50 0.00 -0.53 0.00 0.00 176.83 175.41 2khn n ILE 90 N -4.16 0.88 0.13 2.23 3.06 -1.07 -4.15 119.36 116.29 2khn n ILE 90 Ca -0.01 -0.64 0.06 0.00 -2.50 0.00 0.00 62.75 59.67 2khn n ILE 90 Cb 0.37 -0.50 0.03 0.00 0.54 0.00 0.00 39.64 40.08 2khn n ILE 90 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2khn h ALA 91 N 1.61 0.71 -0.99 1.51 0.00 -1.03 -3.34 119.26 117.72 2khn h ALA 91 Ca -0.14 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.54 2khn h ALA 91 Cb 1.41 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 2khn h ALA 91 CO 0.03 0.38 0.64 0.00 0.00 0.00 0.00 179.25 180.30 2khn h MET 92 N 0.00 1.06 -0.01 0.00 -0.00 -1.08 -0.26 114.93 114.64 2khn h MET 92 Ca -0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 2khn h MET 92 Cb 1.24 -0.24 0.00 0.00 -0.00 0.00 0.00 31.60 32.60 2khn h MET 92 CO 0.03 0.70 -0.25 0.36 -0.00 0.00 0.00 176.91 177.75 2khn n LYS 93 N -4.54 1.02 -0.03 -0.10 2.85 -1.26 -3.30 118.16 112.81 2khn n LYS 93 Ca 0.16 -0.65 -0.12 0.00 -1.05 0.00 0.00 58.31 56.65 2khn n LYS 93 Cb 0.25 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.07 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 1.59 0.15 -0.87 -5.58 4.07 -1.17 -0.74 115.31 112.75 2khn h LEU 94 Ca 0.00 -0.35 -0.06 0.00 0.08 0.00 0.00 57.88 57.55 2khn h LEU 94 Cb 0.55 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 2khn h LEU 94 CO 0.00 0.46 0.19 0.40 -1.08 0.00 0.00 178.44 178.42 2khn h ILE 95 N -0.17 1.25 -0.74 1.22 2.04 -1.61 0.46 117.51 119.96 2khn h ILE 95 Ca 0.02 -0.87 0.09 0.00 1.00 0.00 0.00 64.86 65.10 2khn h ILE 95 Cb 0.39 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 2khn h ILE 95 CO 0.01 0.34 0.39 0.50 0.00 0.00 0.00 178.15 179.39 2khn h LYS 96 N 0.99 0.66 0.00 2.37 3.64 -1.52 -1.89 116.57 120.82 2khn h LYS 96 Ca 0.22 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2khn h LYS 96 Cb 0.30 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2khn h LYS 96 CO -0.01 0.43 -0.75 -0.07 -2.27 0.00 0.00 179.45 176.79 2khn h LEU 97 N 0.68 0.00 -0.16 5.20 4.07 -0.64 -3.22 115.31 121.24 2khn h LEU 97 Ca 0.35 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.27 2khn h LEU 97 Cb 0.33 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2khn h LEU 97 CO -0.24 0.03 -0.00 0.11 -1.08 0.00 0.00 178.44 177.26 2khn h LYS 98 N 0.00 0.05 0.00 1.13 1.79 0.69 0.13 116.57 120.35 2khn h LYS 98 Ca 0.00 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2khn h LYS 98 Cb 0.92 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2khn h LYS 98 CO 0.00 0.03 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.22 2khn h LEU 99 N 0.05 0.00 0.00 2.94 3.38 -1.53 -2.89 115.31 117.26 2khn h LEU 99 Ca 0.07 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 2khn h LEU 99 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2khn h LEU 99 CO -0.13 0.11 -0.99 -0.61 0.09 0.00 0.00 178.44 176.91 2khn h GLN 100 N 0.00 0.00 0.00 1.13 5.75 -1.41 -3.48 115.11 117.10 2khn h GLN 100 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2khn h GLN 100 Cb 0.64 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.19 2khn h GLN 100 CO 0.01 0.57 0.00 0.41 -2.65 0.00 0.00 178.83 177.17 2khn n GLY 101 N 1.34 0.98 3.19 2.39 0.00 0.25 -5.08 105.19 108.26 2khn n GLY 101 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.66 1.36 0.02 1.61 2.02 -0.08 -5.02 117.35 115.59 2khn s TYR 102 Ca 0.00 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 2khn s TYR 102 Cb 0.00 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.77 2khn s TYR 102 CO 0.00 0.08 -0.05 0.00 -1.57 0.00 0.00 175.55 174.01 2khn n GLN 103 N 1.49 0.08 -1.10 -0.62 10.64 -1.26 -3.91 117.38 122.70 2khn n GLN 103 Ca -0.20 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 2khn n GLN 103 Cb 0.54 -0.64 0.00 0.00 -0.86 0.00 0.00 30.24 29.28 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 -3.44 -1.28 0.00 2.61 4.77 -1.26 -5.01 117.00 113.38 2khn n LEU 104 Ca -0.05 2.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.96 2khn n LEU 104 Cb 0.28 -1.88 0.00 0.00 -2.33 0.00 0.00 43.42 39.49 2khn n LEU 104 CO 0.02 -0.43 0.00 -0.81 -1.33 0.00 0.00 177.39 174.84 2khn n PRO 105 N -2.07 1.08 0.00 3.23 -0.05 -1.26 -4.95 135.00 130.99 2khn n PRO 105 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 63.50 63.55 2khn n PRO 105 Cb 0.28 0.00 0.52 0.00 -0.05 0.00 0.00 33.50 34.25 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 -1.41 0.00 -4.39 3.54 3.41 -1.26 -4.43 113.62 109.08 2khn n SER 106 Ca 0.00 -0.06 -0.44 0.00 -0.26 0.00 0.00 58.87 58.11 2khn n SER 106 Cb 0.00 -0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.52 3.38 0.40 7.33 0.00 -1.26 -4.95 121.76 124.14 2khn s ALA 107 Ca 0.20 -2.16 -0.25 0.00 0.00 0.00 0.00 51.96 49.75 2khn s ALA 107 Cb 0.14 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 2khn s ALA 107 CO 0.30 -2.37 1.15 -0.51 0.00 0.00 0.00 175.76 174.33 2khn s LEU 108 N 2.82 4.18 0.60 0.00 1.43 -1.26 -5.02 118.68 121.43 2khn s LEU 108 Ca 0.13 2.30 -0.18 0.00 -1.03 0.00 0.00 54.13 55.35 2khn s LEU 108 Cb -0.23 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 41.91 2khn s LEU 108 CO 0.07 -0.65 1.14 -2.84 0.23 0.00 0.00 176.35 174.29 2khn s PRO 109 N -2.32 3.05 0.51 1.29 0.02 -1.26 -4.94 135.00 131.35 2khn s PRO 109 Ca 0.57 1.57 0.31 0.00 0.02 0.00 0.00 61.00 63.47 2khn s PRO 109 Cb -0.29 -1.97 1.15 0.00 0.02 0.00 0.00 34.50 33.41 2khn s PRO 109 CO 0.37 -1.08 1.90 -1.35 -0.33 0.00 0.00 177.00 176.51 2khn h PRO 110 N 0.68 0.00 0.00 5.54 0.11 -2.00 -2.98 132.00 133.35 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2khn h PRO 110 CO 0.55 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.62 2khn h VAL 111 N 0.00 0.00 0.00 3.15 2.07 -1.92 -2.98 116.25 116.58 2khn h VAL 111 Ca 0.00 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 2khn h VAL 111 Cb 0.59 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2khn h VAL 111 CO 0.00 0.00 -1.27 0.23 0.02 0.00 0.00 177.57 176.55 2khn n MET 112 N -2.93 0.62 0.10 1.57 2.81 -1.13 -3.90 117.12 114.27 2khn n MET 112 Ca 0.04 0.08 -0.05 0.00 -1.81 0.00 0.00 57.70 55.96 2khn n MET 112 Cb 0.46 -1.77 0.07 0.00 -0.71 0.00 0.00 33.22 31.28 2khn n MET 112 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2khn h LYS 113 N 0.00 0.10 -6.82 0.03 1.57 -1.58 -3.46 116.57 106.41 2khn h LYS 113 Ca -0.04 -0.09 -0.57 0.00 -1.87 0.00 0.00 60.65 58.08 2khn h LYS 113 Cb 1.12 0.02 0.16 0.00 0.08 0.00 0.00 32.23 33.61 2khn h LYS 113 CO 0.01 0.79 0.12 0.00 -0.57 0.00 0.00 179.45 179.80 2khn n GLN 114 N -3.72 0.91 0.05 3.15 10.64 -1.24 -4.97 117.38 122.21 2khn n GLN 114 Ca -0.02 0.35 0.00 0.00 -1.83 0.00 0.00 57.00 55.50 2khn n GLN 114 Cb 0.71 -2.16 0.00 0.00 -0.86 0.00 0.00 30.24 27.93 2khn n GLN 114 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2khn n GLN 115 N -0.96 0.00 -2.93 2.61 -0.06 -1.26 -5.00 117.38 109.78 2khn n GLN 115 Ca 0.13 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.82 2khn n GLN 115 Cb 0.47 -0.27 -0.04 0.00 -4.06 0.00 0.00 30.24 26.34 2khn n GLN 115 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2khn s PRO 116 N -2.00 3.87 0.23 3.69 0.04 -1.26 -5.06 135.00 134.51 2khn s PRO 116 Ca 0.00 0.58 -0.28 0.00 0.04 0.00 0.00 61.00 61.33 2khn s PRO 116 Cb 0.00 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 2khn s PRO 116 CO 0.00 0.02 0.90 0.14 0.04 0.00 0.00 177.00 178.10 2khn s VAL 117 N -2.24 4.16 0.00 -0.36 -7.23 -1.26 -5.01 120.40 108.45 2khn s VAL 117 Ca 0.53 1.97 0.00 0.00 -1.81 0.00 0.00 61.98 62.66 2khn s VAL 117 Cb -0.10 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 32.59 2khn s VAL 117 CO 0.26 0.47 0.00 0.00 -0.31 0.00 0.00 175.10 175.52 2khn n ALA 118 N 1.42 0.00 -0.12 1.32 0.00 -1.26 -4.86 120.51 117.01 2khn n ALA 118 Ca -0.03 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 2khn n ALA 118 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 2khn n ALA 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2khn n ILE 119 N -1.81 1.53 0.17 0.00 5.41 -1.26 -4.96 119.36 118.44 2khn n ILE 119 Ca 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.26 2khn n ILE 119 Cb 0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 2khn n ILE 119 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2khn n SER 120 N -3.66 -1.80 0.00 4.38 7.64 -1.26 -5.34 113.62 113.59 2khn n SER 120 Ca -0.47 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2khn n SER 120 Cb 0.95 1.81 0.00 0.00 -1.01 0.00 0.00 64.21 65.96 2khn n SER 120 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79