#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 1.25 0.00 -5.12 0.00 -1.26 -3.27 105.19 96.79 2khn n GLY 2 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.32 2khn n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2khn n HIS 3 N 0.00 0.00 -3.73 1.61 -0.00 -1.26 -4.53 115.22 107.31 2khn n HIS 3 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 2khn n HIS 3 Cb 0.00 -0.25 -0.12 0.00 -0.00 0.00 0.00 29.99 29.63 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 -2.49 -0.42 0.04 -1.40 0.09 -1.20 -5.16 115.29 104.74 2khn s HIS 4 Ca 0.13 0.97 0.02 0.00 -0.00 0.00 0.00 55.06 56.18 2khn s HIS 4 Cb 0.08 0.14 -0.02 0.00 -0.00 0.00 0.00 32.58 32.78 2khn s HIS 4 CO 0.18 -0.24 -0.08 -3.38 -0.00 0.00 0.00 174.74 171.23 2khn s HIS 5 N 0.88 0.67 0.80 1.40 0.00 -1.26 -2.53 115.29 115.25 2khn s HIS 5 Ca -0.06 -0.52 -0.06 0.00 -3.00 0.00 0.00 55.06 51.43 2khn s HIS 5 Cb -0.07 -0.40 0.15 0.00 -4.00 0.00 0.00 32.58 28.27 2khn s HIS 5 CO -0.06 -0.09 1.11 -1.01 -1.00 0.00 0.00 174.74 173.68 2khn s HIS 6 N -1.46 1.52 0.35 0.38 0.09 -1.26 -5.10 115.29 109.82 2khn s HIS 6 Ca -0.09 -0.11 0.01 0.00 -0.00 0.00 0.00 55.06 54.86 2khn s HIS 6 Cb -0.09 -3.35 0.01 0.00 -0.00 0.00 0.00 32.58 29.14 2khn s HIS 6 CO 0.00 -2.04 0.05 0.72 -0.00 0.00 0.00 174.74 173.47 2khn n HIS 7 N -3.14 0.53 0.00 1.40 -0.00 -1.26 -4.79 115.22 107.96 2khn n HIS 7 Ca 0.15 -1.70 0.00 0.00 -0.00 0.00 0.00 57.72 56.17 2khn n HIS 7 Cb 0.60 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 2khn n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2khn n HIS 8 N -0.96 0.00 -2.58 4.41 -0.00 -1.26 -4.77 115.22 110.06 2khn n HIS 8 Ca -0.12 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.64 2khn n HIS 8 Cb 0.44 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.29 2khn n HIS 8 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2khn s SER 9 N 0.00 6.59 -0.31 0.26 0.15 -1.26 -4.91 113.70 114.21 2khn s SER 9 Ca 0.00 -1.71 0.02 0.00 0.70 0.00 0.00 55.95 54.95 2khn s SER 9 Cb 0.00 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.84 2khn s SER 9 CO 0.00 -1.41 0.04 -2.28 1.20 0.00 0.00 173.24 170.79 2khn s HIS 10 N 4.69 2.85 -0.30 3.44 5.04 -1.26 -4.99 115.29 124.76 2khn s HIS 10 Ca 0.47 -2.36 -0.29 0.00 -1.54 0.00 0.00 55.06 51.34 2khn s HIS 10 Cb 0.01 -2.28 0.01 0.00 0.04 0.00 0.00 32.58 30.36 2khn s HIS 10 CO -0.06 -0.89 1.18 -1.64 -2.34 0.00 0.00 174.74 170.98 2khn s MET 11 N 1.22 4.02 0.20 2.88 1.00 -1.26 -4.99 119.30 122.37 2khn s MET 11 Ca 0.07 1.18 -0.07 0.00 0.00 0.00 0.00 55.69 56.87 2khn s MET 11 Cb -0.18 -3.79 -0.02 0.00 0.00 0.00 0.00 34.83 30.83 2khn s MET 11 CO -0.13 -0.98 0.29 0.00 0.00 0.00 0.00 175.02 174.20 2khn s ALA 12 N 3.92 0.32 0.48 3.03 0.00 -1.26 -5.18 121.76 123.08 2khn s ALA 12 Ca 0.50 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 51.38 2khn s ALA 12 Cb -0.15 1.08 0.04 0.00 0.00 0.00 0.00 23.12 24.09 2khn s ALA 12 CO 0.18 -0.69 0.66 1.14 0.00 0.00 0.00 175.76 177.06 2khn s GLN 13 N -4.04 2.63 0.23 0.00 -2.07 -1.26 -5.08 119.66 110.06 2khn s GLN 13 Ca 0.26 -1.33 -0.30 0.00 -1.82 0.00 0.00 55.36 52.17 2khn s GLN 13 Cb 0.03 -2.70 -0.09 0.00 -1.09 0.00 0.00 33.01 29.17 2khn s GLN 13 CO 0.06 -0.50 1.00 -0.06 -1.32 0.00 0.00 175.29 174.48 2khn s PHE 14 N -2.49 3.81 0.32 9.60 0.08 -1.26 -5.02 117.98 123.02 2khn s PHE 14 Ca 0.57 1.81 -0.29 0.00 0.12 0.00 0.00 56.93 59.15 2khn s PHE 14 Cb -0.09 -3.10 -0.10 0.00 -0.57 0.00 0.00 43.02 39.16 2khn s PHE 14 CO 0.35 0.04 1.20 -2.14 -0.10 0.00 0.00 175.22 174.57 2khn s PRO 15 N -1.00 4.44 0.41 0.24 0.02 -1.26 -5.06 135.00 132.79 2khn s PRO 15 Ca 0.44 2.00 0.08 0.00 0.02 0.00 0.00 61.00 63.53 2khn s PRO 15 Cb -0.28 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.18 2khn s PRO 15 CO 0.34 -0.03 0.56 0.95 -0.33 0.00 0.00 177.00 178.49 2khn s THR 16 N -1.18 3.14 -0.30 0.99 -4.23 -1.26 -5.01 115.64 107.79 2khn s THR 16 Ca 0.48 -1.00 -0.35 0.00 -1.18 0.00 0.00 61.69 59.64 2khn s THR 16 Cb -0.35 -3.05 -0.11 0.00 1.34 0.00 0.00 72.50 70.32 2khn s THR 16 CO 0.46 -0.02 2.12 -2.65 -0.54 0.00 0.00 174.62 174.00 2khn n PRO 17 N -1.82 1.32 -0.51 3.99 -0.02 -1.26 -4.79 135.00 131.90 2khn n PRO 17 Ca 0.07 0.39 0.02 0.00 -2.02 0.00 0.00 63.50 61.96 2khn n PRO 17 Cb 0.59 -2.55 0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2khn n PRO 17 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2khn n PHE 18 N 9.36 0.00 0.00 6.00 3.01 -1.26 -5.06 117.46 129.51 2khn n PHE 18 Ca 0.37 -0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2khn n PHE 18 Cb 0.26 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2khn n PHE 18 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2khn n GLY 19 N -0.23 0.79 0.00 1.37 0.00 -1.26 -5.11 105.19 100.75 2khn n GLY 19 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 5.00 1.26 3.56 -0.02 0.00 -1.26 -5.09 105.19 108.65 2khn n GLY 20 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2khn n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2khn s SER 21 N 0.00 6.43 -0.01 1.61 1.04 -1.26 -4.89 113.70 116.62 2khn s SER 21 Ca 0.00 0.10 0.21 0.00 0.48 0.00 0.00 55.95 56.74 2khn s SER 21 Cb 0.00 -2.34 -0.26 0.00 0.10 0.00 0.00 66.02 63.51 2khn s SER 21 CO 0.00 -0.67 0.76 0.18 0.98 0.00 0.00 173.24 174.49 2khn n LEU 22 N 6.21 0.66 -0.29 2.42 4.77 -1.26 -4.37 117.00 125.14 2khn n LEU 22 Ca -0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2khn n LEU 22 Cb 0.48 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2khn n LEU 22 CO 0.51 0.16 0.34 0.47 -1.33 0.00 0.00 177.39 177.55 2khn n ASP 23 N -1.76 0.56 0.04 -1.43 9.92 -1.26 -4.04 116.55 118.58 2khn n ASP 23 Ca 0.01 -1.92 0.02 0.00 -0.53 0.00 0.00 54.79 52.38 2khn n ASP 23 Cb 0.41 -0.28 0.39 0.00 -0.64 0.00 0.00 41.12 41.00 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 0.00 1.14 -0.36 -3.53 2.02 -2.01 -1.02 112.91 109.15 2khn h THR 24 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2khn h THR 24 Cb 0.28 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2khn h THR 24 CO 0.00 0.18 0.00 0.79 0.37 0.00 0.00 175.52 176.86 2khn n TRP 25 N -4.37 0.48 -3.44 3.16 7.02 -1.26 -4.84 117.44 114.19 2khn n TRP 25 Ca 0.01 -0.24 -0.00 0.00 -1.02 0.00 0.00 57.50 56.25 2khn n TRP 25 Cb 0.17 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.06 2khn n TRP 25 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2khn n ALA 26 N 0.65 0.00 -3.79 6.99 0.00 -0.39 -3.93 120.51 120.05 2khn n ALA 26 Ca 0.14 -0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 2khn n ALA 26 Cb 0.35 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 2khn n ALA 26 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2khn s ILE 27 N 0.11 1.33 0.79 0.00 1.01 -1.26 -4.86 121.20 118.32 2khn s ILE 27 Ca 0.00 -1.94 -0.12 0.00 0.00 0.00 0.00 60.65 58.59 2khn s ILE 27 Cb -0.00 -1.98 0.07 0.00 0.01 0.00 0.00 42.46 40.56 2khn s ILE 27 CO 0.00 -0.72 1.13 -0.89 0.00 0.00 0.00 174.94 174.46 2khn s THR 28 N 1.09 2.72 0.52 2.92 2.01 -1.26 -4.71 115.64 118.93 2khn s THR 28 Ca 0.12 0.27 0.17 0.00 0.31 0.00 0.00 61.69 62.57 2khn s THR 28 Cb -0.20 -2.63 0.29 0.00 0.01 0.00 0.00 72.50 69.98 2khn s THR 28 CO -0.14 -0.27 2.12 1.62 -0.69 0.00 0.00 174.62 177.25 2khn h VAL 29 N -1.04 0.95 -0.23 3.82 3.04 -2.00 0.47 116.25 121.26 2khn h VAL 29 Ca -0.45 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 65.21 2khn h VAL 29 Cb 1.26 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 2khn h VAL 29 CO 0.48 0.01 0.05 -0.08 -1.01 0.00 0.00 177.57 177.02 2khn h GLU 30 N 0.03 0.38 -0.18 4.17 4.81 -1.98 0.08 114.58 121.89 2khn h GLU 30 Ca 0.06 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2khn h GLU 30 Cb 0.19 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2khn h GLU 30 CO -0.00 0.50 -0.24 0.93 -0.73 0.00 0.00 179.01 179.47 2khn h GLU 31 N 0.20 0.32 -0.55 1.92 5.08 -1.39 0.33 114.58 120.49 2khn h GLU 31 Ca 0.07 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2khn h GLU 31 Cb 0.29 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2khn h GLU 31 CO 0.00 0.54 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.44 2khn h ARG 32 N 0.29 0.97 0.00 2.33 2.43 0.09 -2.18 114.38 118.32 2khn h ARG 32 Ca 0.05 -0.31 -0.10 0.00 -0.81 0.00 0.00 59.98 58.81 2khn h ARG 32 Cb 0.58 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2khn h ARG 32 CO 0.04 0.97 -0.48 0.00 -1.51 0.00 0.00 179.97 178.99 2khn h ALA 33 N 1.07 0.81 0.00 2.80 0.00 -0.48 -3.23 119.26 120.23 2khn h ALA 33 Ca 0.16 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2khn h ALA 33 Cb 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2khn h ALA 33 CO 0.03 0.60 -0.01 -0.22 0.00 0.00 0.00 179.25 179.66 2khn h LYS 34 N 0.00 0.00 -0.54 0.00 3.11 0.31 -1.85 116.57 117.61 2khn h LYS 34 Ca -0.00 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.88 2khn h LYS 34 Cb 1.17 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.37 2khn h LYS 34 CO 0.06 0.01 0.36 1.12 -2.81 0.00 0.00 179.45 178.19 2khn h HIS 35 N 0.00 0.55 -0.11 1.91 2.07 -1.55 -0.28 115.15 117.74 2khn h HIS 35 Ca -0.00 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.52 2khn h HIS 35 Cb 0.02 -0.18 -0.00 0.00 2.57 0.00 0.00 27.41 29.81 2khn h HIS 35 CO 0.00 0.31 0.03 0.22 -3.07 0.00 0.00 177.93 175.42 2khn h ASP 36 N 0.56 0.17 -0.47 3.10 3.58 -1.57 0.26 116.42 122.05 2khn h ASP 36 Ca 0.22 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2khn h ASP 36 Cb 0.18 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2khn h ASP 36 CO -0.06 0.36 0.31 -0.61 -2.88 0.00 0.00 179.24 176.36 2khn h GLN 37 N -0.03 0.62 0.05 0.28 4.15 -1.37 0.11 115.11 118.91 2khn h GLN 37 Ca 0.03 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 2khn h GLN 37 Cb 0.26 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2khn h GLN 37 CO 0.00 0.41 -0.03 0.37 -1.93 0.00 0.00 178.83 177.65 2khn h GLN 38 N 0.63 -0.07 -0.41 1.69 5.75 -0.98 -2.76 115.11 118.96 2khn h GLN 38 Ca 0.17 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.62 2khn h GLN 38 Cb -0.07 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2khn h GLN 38 CO -0.04 0.30 0.03 0.35 -2.65 0.00 0.00 178.83 176.82 2khn h PHE 39 N -0.45 0.66 -0.27 3.99 3.57 -0.39 -2.05 116.94 121.99 2khn h PHE 39 Ca -0.01 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 2khn h PHE 39 Cb 0.40 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2khn h PHE 39 CO 0.05 0.61 -0.18 1.25 -2.23 0.00 0.00 178.31 177.81 2khn h HIS 40 N 0.61 0.52 0.00 0.41 2.76 -0.78 -2.31 115.15 116.36 2khn h HIS 40 Ca 0.13 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2khn h HIS 40 Cb 0.34 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2khn h HIS 40 CO 0.01 0.64 0.00 0.77 -1.30 0.00 0.00 177.93 178.05 2khn h SER 41 N 0.43 0.00 1.32 3.26 0.02 -1.08 -2.60 113.55 114.90 2khn h SER 41 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2khn h SER 41 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2khn h SER 41 CO 0.04 0.00 0.00 0.25 -1.14 0.00 0.00 176.83 175.98 2khn h LEU 42 N 0.00 0.00 -2.48 5.07 6.46 -1.07 -3.48 115.31 119.80 2khn h LEU 42 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2khn h LEU 42 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2khn h LEU 42 CO 0.00 0.00 -0.21 0.29 -0.62 0.00 0.00 178.44 177.90 2khn n LYS 43 N -3.04 -1.45 -1.73 1.25 4.01 -0.98 -4.96 118.16 111.27 2khn n LYS 43 Ca 0.02 1.52 -0.42 0.00 -0.51 0.00 0.00 58.31 58.92 2khn n LYS 43 Cb 0.37 -4.72 -0.01 0.00 -0.51 0.00 0.00 35.03 30.16 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 -0.91 2.47 -0.02 1.97 -0.04 -1.26 -4.91 135.00 132.31 2khn n PRO 44 Ca 0.05 0.87 -0.03 0.00 -0.04 0.00 0.00 63.50 64.35 2khn n PRO 44 Cb 0.42 -2.59 0.20 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.09 1.25 -0.12 0.52 2.10 -1.85 -3.35 117.51 119.15 2khn h ILE 45 Ca -0.47 -1.14 -0.21 0.00 1.08 0.00 0.00 64.86 64.12 2khn h ILE 45 Cb 1.25 1.18 -0.19 0.00 -1.09 0.00 0.00 36.82 37.96 2khn h ILE 45 CO 0.73 0.37 -0.45 -0.24 -1.08 0.00 0.00 178.15 177.48 2khn n SER 46 N -4.17 -1.13 0.00 2.19 2.88 -1.26 -4.92 113.62 107.21 2khn n SER 46 Ca 0.00 -2.34 0.00 0.00 -1.33 0.00 0.00 58.87 55.21 2khn n SER 46 Cb 0.36 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 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 -0.98 1.20 3.33 0.46 0.00 -1.26 -4.99 105.19 102.96 2khn n GLY 47 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.57 0.90 0.49 1.61 -0.71 -1.26 -5.01 117.98 110.43 2khn s PHE 48 Ca 0.00 -1.16 0.02 0.00 -1.04 0.00 0.00 56.93 54.74 2khn s PHE 48 Cb 0.00 -0.31 -0.01 0.00 -1.21 0.00 0.00 43.02 41.49 2khn s PHE 48 CO 0.00 -0.76 0.05 0.96 -1.34 0.00 0.00 175.22 174.13 2khn s ILE 49 N -4.10 0.87 0.18 -4.49 -4.36 -1.26 -2.41 121.20 105.63 2khn s ILE 49 Ca 0.33 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.66 2khn s ILE 49 Cb 0.04 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.64 2khn s ILE 49 CO 0.11 0.00 0.35 1.07 0.24 0.00 0.00 174.94 176.71 2khn n THR 50 N -1.18 0.00 -0.29 8.37 5.66 -1.26 -4.71 114.28 120.87 2khn n THR 50 Ca -0.16 -0.51 0.11 0.00 -3.05 0.00 0.00 64.05 60.44 2khn n THR 50 Cb 0.66 0.47 0.36 0.00 -1.55 0.00 0.00 70.33 70.27 2khn n THR 50 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2khn h GLY 51 N 0.93 1.29 0.97 1.09 0.00 -1.78 -0.50 103.07 105.06 2khn h GLY 51 Ca -0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2khn h GLY 51 CO 0.20 0.10 -0.17 -1.80 0.00 0.00 0.00 176.54 174.87 2khn h ASP 52 N 0.74 -0.39 0.62 0.19 1.82 -1.96 -1.69 116.42 115.74 2khn h ASP 52 Ca 0.46 -0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.97 2khn h ASP 52 Cb 0.69 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.78 2khn h ASP 52 CO -0.22 -0.25 -0.59 1.56 -1.61 0.00 0.00 179.24 178.13 2khn h GLN 53 N -0.50 0.00 -0.84 0.28 4.20 -1.87 -2.76 115.11 113.63 2khn h GLN 53 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2khn h GLN 53 Cb 0.38 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2khn h GLN 53 CO 0.08 0.59 0.53 0.00 -0.67 0.00 0.00 178.83 179.35 2khn h ALA 54 N 1.41 1.06 -0.12 3.87 0.00 -0.92 -1.20 119.26 123.37 2khn h ALA 54 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2khn h ALA 54 Cb 1.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2khn h ALA 54 CO 0.08 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.82 2khn h ARG 55 N 1.14 0.02 -0.13 0.00 2.47 -1.02 -0.81 114.38 116.05 2khn h ARG 55 Ca 0.30 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2khn h ARG 55 Cb -0.09 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 2khn h ARG 55 CO -0.06 0.02 0.07 -0.97 0.56 0.00 0.00 179.97 179.58 2khn h ASN 56 N 0.02 0.17 0.25 7.04 -1.24 -1.37 0.30 115.58 120.76 2khn h ASN 56 Ca 0.05 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 56.95 2khn h ASN 56 Cb 0.07 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 2khn h ASN 56 CO -0.10 0.23 -0.15 0.15 -1.29 0.00 0.00 177.43 176.27 2khn h PHE 57 N 0.10 -0.39 -0.33 0.67 3.04 -1.13 0.11 116.94 119.02 2khn h PHE 57 Ca 0.05 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.01 2khn h PHE 57 Cb 0.10 0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 2khn h PHE 57 CO -0.03 -0.24 0.19 0.74 -2.02 0.00 0.00 178.31 176.95 2khn h PHE 58 N -0.38 0.35 -0.51 0.41 -1.00 -1.07 -1.88 116.94 112.86 2khn h PHE 58 Ca -0.03 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 2khn h PHE 58 Cb 0.32 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 2khn h PHE 58 CO -0.09 0.21 -0.08 0.35 -1.61 0.00 0.00 178.31 177.09 2khn h PHE 59 N 0.39 1.02 0.00 -0.55 3.57 -0.79 -2.16 116.94 118.42 2khn h PHE 59 Ca 0.13 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2khn h PHE 59 Cb 0.00 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.48 2khn h PHE 59 CO -0.08 0.96 0.00 0.94 -2.23 0.00 0.00 178.31 177.90 2khn n GLN 60 N -4.16 0.09 0.25 1.11 7.27 0.38 -1.57 117.38 120.75 2khn n GLN 60 Ca 0.02 0.27 0.14 0.00 0.07 0.00 0.00 57.00 57.50 2khn n GLN 60 Cb 0.37 -1.65 0.51 0.00 2.41 0.00 0.00 30.24 31.88 2khn n GLN 60 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2khn h SER 61 N 0.00 0.00 0.00 1.69 0.02 -0.65 -3.47 113.55 111.14 2khn h SER 61 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2khn h SER 61 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2khn h SER 61 CO 0.00 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 2khn n GLY 62 N 0.31 0.78 3.84 -3.77 0.00 -0.61 -5.05 105.19 100.70 2khn n GLY 62 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2khn n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2khn s LEU 63 N 0.00 4.36 0.84 0.99 1.43 -1.26 -5.07 118.68 119.98 2khn s LEU 63 Ca 0.00 1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 2khn s LEU 63 Cb 0.00 -3.17 0.10 0.00 0.03 0.00 0.00 46.19 43.16 2khn s LEU 63 CO 0.00 0.14 1.16 -2.84 0.23 0.00 0.00 176.35 175.04 2khn s PRO 64 N -1.84 1.49 0.12 1.29 0.02 -1.26 -4.74 135.00 130.08 2khn s PRO 64 Ca 0.36 1.58 -0.25 0.00 0.02 0.00 0.00 61.00 62.71 2khn s PRO 64 Cb -0.15 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 2khn s PRO 64 CO 0.19 -2.29 1.66 1.96 -0.33 0.00 0.00 177.00 178.19 2khn h GLN 65 N -1.32 -0.29 -0.86 5.54 4.20 -1.98 0.17 115.11 120.56 2khn h GLN 65 Ca -0.44 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.34 2khn h GLN 65 Cb 1.27 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 29.07 2khn h GLN 65 CO 0.45 -0.20 0.57 -1.00 -0.67 0.00 0.00 178.83 177.98 2khn h PRO 66 N -0.30 0.99 -0.72 1.46 0.13 -1.98 0.25 132.00 131.82 2khn h PRO 66 Ca 0.05 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2khn h PRO 66 Cb 0.37 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.24 2khn h PRO 66 CO -0.16 0.65 0.35 0.28 -0.23 0.00 0.00 178.00 178.89 2khn h VAL 67 N 1.02 1.24 -0.07 1.56 2.07 -1.75 0.29 116.25 120.61 2khn h VAL 67 Ca 0.36 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2khn h VAL 67 Cb 0.13 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2khn h VAL 67 CO -0.12 0.28 -0.07 -0.07 0.02 0.00 0.00 177.57 177.61 2khn h LEU 68 N 1.01 0.18 -1.80 2.57 3.38 -0.10 -3.15 115.31 117.41 2khn h LEU 68 Ca 0.25 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2khn h LEU 68 Cb 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2khn h LEU 68 CO -0.03 0.62 0.09 0.00 0.09 0.00 0.00 178.44 179.22 2khn h ALA 69 N 0.56 1.85 -0.84 1.53 0.00 -0.40 -0.37 119.26 121.58 2khn h ALA 69 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2khn h ALA 69 Cb 0.57 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2khn h ALA 69 CO 0.02 0.13 0.51 0.37 0.00 0.00 0.00 179.25 180.28 2khn h GLN 70 N 0.23 1.14 -0.06 0.00 -0.00 -0.90 0.33 115.11 115.85 2khn h GLN 70 Ca 0.06 -0.10 -0.24 0.00 -0.00 0.00 0.00 58.65 58.37 2khn h GLN 70 Cb 0.01 -0.24 0.02 0.00 0.00 0.00 0.00 27.48 27.26 2khn h GLN 70 CO -0.01 0.80 -0.90 0.82 0.00 0.00 0.00 178.83 179.54 2khn h ILE 71 N 1.15 1.29 -0.66 2.39 2.04 -1.18 -3.12 117.51 119.43 2khn h ILE 71 Ca 0.30 -2.12 -0.08 0.00 1.00 0.00 0.00 64.86 63.97 2khn h ILE 71 Cb -0.05 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 2khn h ILE 71 CO -0.06 0.66 0.11 -0.25 0.00 0.00 0.00 178.15 178.61 2khn h TRP 72 N 0.40 1.16 0.00 1.37 7.01 -0.86 -0.23 115.95 124.81 2khn h TRP 72 Ca -0.10 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 60.75 2khn h TRP 72 Cb 1.55 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 28.29 2khn h TRP 72 CO 0.10 0.97 0.00 0.00 -2.79 0.00 0.00 178.44 176.72 2khn h ALA 73 N 1.05 1.00 0.07 2.65 0.00 -0.37 -2.35 119.26 121.31 2khn h ALA 73 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.76 2khn h ALA 73 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2khn h ALA 73 CO 0.01 0.00 -2.05 1.28 0.00 0.00 0.00 179.25 178.49 2khn n LEU 74 N -2.74 2.25 0.26 0.00 4.77 -0.74 -4.71 117.00 116.09 2khn n LEU 74 Ca -0.01 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 2khn n LEU 74 Cb 0.16 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 2khn n LEU 74 CO 0.20 0.77 0.42 0.00 -1.33 0.00 0.00 177.39 177.45 2khn h ALA 75 N 0.27 -0.99 -1.45 -1.18 0.00 -0.50 -3.32 119.26 112.09 2khn h ALA 75 Ca -0.43 -0.15 -0.61 0.00 0.00 0.00 0.00 54.91 53.71 2khn h ALA 75 Cb 2.02 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 19.95 2khn h ALA 75 CO 0.05 -0.94 1.08 0.16 0.00 0.00 0.00 179.25 179.60 2khn s ASP 76 N -3.49 6.40 0.50 0.00 -4.77 -1.22 -4.84 116.67 109.25 2khn s ASP 76 Ca -0.10 -1.29 0.16 0.00 -3.30 0.00 0.00 52.55 48.02 2khn s ASP 76 Cb 0.01 -2.50 1.21 0.00 -1.09 0.00 0.00 42.92 40.55 2khn s ASP 76 CO 0.30 -1.46 2.11 0.24 0.70 0.00 0.00 175.17 177.05 2khn h MET 77 N 9.58 0.00 -0.00 2.11 2.86 -1.86 0.38 114.93 128.00 2khn h MET 77 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 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 1.28 0.06 -0.08 0.27 1.06 0.00 0.00 176.91 179.49 2khn n ASN 78 N -4.44 0.16 -3.39 1.22 6.94 -1.26 -4.96 115.26 109.53 2khn n ASN 78 Ca -0.03 -0.02 -0.15 0.00 -0.02 0.00 0.00 54.58 54.36 2khn n ASN 78 Cb 0.14 -0.25 0.01 0.00 -2.36 0.00 0.00 39.78 37.31 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 -1.32 -6.34 0.08 0.53 4.05 0.13 -4.93 115.26 107.47 2khn n ASN 79 Ca 0.11 -0.39 0.11 0.00 0.45 0.00 0.00 54.58 54.86 2khn n ASN 79 Cb 0.30 -3.40 -0.04 0.00 1.23 0.00 0.00 39.78 37.87 2khn n ASN 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2khn n ASP 80 N -1.80 0.65 -1.43 1.20 -0.08 -1.26 -4.98 116.55 108.84 2khn n ASP 80 Ca -0.13 0.24 -0.08 0.00 -1.51 0.00 0.00 54.79 53.31 2khn n ASP 80 Cb 0.60 0.81 0.02 0.00 2.34 0.00 0.00 41.12 44.89 2khn n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2khn n GLY 81 N 1.21 0.44 1.06 0.27 0.00 -1.26 -4.95 105.19 101.95 2khn n GLY 81 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2khn n GLY 81 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2khn n ARG 82 N -1.93 0.00 -2.99 1.61 1.85 -1.26 -4.67 116.66 109.27 2khn n ARG 82 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.70 2khn n ARG 82 Cb 0.52 -0.47 0.02 0.00 -1.05 0.00 0.00 32.46 31.47 2khn n ARG 82 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 2khn n MET 83 N -3.06 -2.33 -0.81 2.89 0.00 -1.26 -2.71 117.12 109.84 2khn n MET 83 Ca 0.00 2.00 -0.09 0.00 -0.00 0.00 0.00 57.70 59.61 2khn n MET 83 Cb 0.39 -4.73 0.06 0.00 0.00 0.00 0.00 33.22 28.94 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 -0.14 0.16 0.26 6.12 -0.08 -1.26 -4.16 116.55 117.44 2khn n ASP 84 Ca 0.06 -1.22 0.17 0.00 -1.51 0.00 0.00 54.79 52.29 2khn n ASP 84 Cb 0.47 -0.29 0.73 0.00 2.34 0.00 0.00 41.12 44.37 2khn n ASP 84 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 2khn h GLN 85 N 0.00 0.00 0.32 -0.67 3.07 -1.95 0.11 115.11 115.99 2khn h GLN 85 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 2khn h GLN 85 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.95 2khn h GLN 85 CO 0.10 0.00 -0.16 0.28 0.09 0.00 0.00 178.83 179.15 2khn h VAL 86 N 0.00 0.58 -0.55 1.86 2.07 -2.00 -2.27 116.25 115.94 2khn h VAL 86 Ca 0.00 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2khn h VAL 86 Cb 0.39 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2khn h VAL 86 CO 0.00 0.12 0.17 -0.33 0.02 0.00 0.00 177.57 177.55 2khn h GLU 87 N -0.89 0.86 -0.39 1.57 3.07 -1.79 -2.26 114.58 114.75 2khn h GLU 87 Ca -0.04 -0.19 0.06 0.00 -0.50 0.00 0.00 59.36 58.69 2khn h GLU 87 Cb 0.52 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 2khn h GLU 87 CO 0.07 0.78 0.26 0.35 -1.40 0.00 0.00 179.01 179.08 2khn h PHE 88 N 0.77 0.26 -0.02 4.33 3.57 -0.89 -0.55 116.94 124.41 2khn h PHE 88 Ca 0.18 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2khn h PHE 88 Cb 0.28 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2khn h PHE 88 CO 0.02 0.14 -0.16 1.03 -2.23 0.00 0.00 178.31 177.11 2khn h SER 89 N 0.26 0.03 0.08 0.41 0.87 -0.78 0.28 113.55 114.71 2khn h SER 89 Ca 0.17 -0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.47 2khn h SER 89 Cb 0.35 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 2khn h SER 89 CO -0.03 0.19 -2.18 0.00 -0.53 0.00 0.00 176.83 174.28 2khn n ILE 90 N -4.33 1.02 0.14 2.23 3.06 -0.74 -4.36 119.36 116.37 2khn n ILE 90 Ca -0.02 -0.75 0.05 0.00 -2.50 0.00 0.00 62.75 59.53 2khn n ILE 90 Cb 0.23 -0.38 0.04 0.00 0.54 0.00 0.00 39.64 40.07 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 1.30 0.73 -0.89 1.51 0.00 -0.84 -3.33 119.26 117.73 2khn h ALA 91 Ca -0.36 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.24 2khn h ALA 91 Cb 1.86 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.57 2khn h ALA 91 CO 0.03 0.49 0.58 0.00 0.00 0.00 0.00 179.25 180.35 2khn h MET 92 N 0.00 0.95 0.00 0.00 -0.00 -1.14 -0.58 114.93 114.16 2khn h MET 92 Ca -0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 2khn h MET 92 Cb 1.31 -0.22 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 2khn h MET 92 CO 0.04 0.63 -0.42 1.57 -0.00 0.00 0.00 176.91 178.74 2khn h LYS 93 N 0.98 0.00 -0.28 -0.10 2.10 -1.83 -2.97 116.57 114.47 2khn h LYS 93 Ca 0.39 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.89 2khn h LYS 93 Cb 0.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2khn h LYS 93 CO -0.15 0.00 -0.43 -0.07 -2.00 0.00 0.00 179.45 176.80 2khn h LEU 94 N 0.00 0.86 -0.85 7.07 4.07 -1.26 -1.58 115.31 123.62 2khn h LEU 94 Ca 0.00 -0.51 -0.01 0.00 0.08 0.00 0.00 57.88 57.44 2khn h LEU 94 Cb 0.79 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.24 2khn h LEU 94 CO 0.00 1.21 0.50 0.40 -1.08 0.00 0.00 178.44 179.47 2khn h ILE 95 N 0.54 1.24 -0.19 1.22 1.08 -1.33 0.77 117.51 120.84 2khn h ILE 95 Ca 0.03 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2khn h ILE 95 Cb 1.03 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 2khn h ILE 95 CO 0.10 0.26 0.12 0.50 -0.69 0.00 0.00 178.15 178.44 2khn h LYS 96 N 1.18 0.25 0.00 2.37 3.11 -1.35 -0.34 116.57 121.78 2khn h LYS 96 Ca 0.30 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 58.04 2khn h LYS 96 Cb -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 2khn h LYS 96 CO -0.05 0.18 -0.42 1.37 -2.81 0.00 0.00 179.45 177.72 2khn h LEU 97 N 0.24 0.00 -0.50 5.20 8.10 -1.13 -3.10 115.31 124.12 2khn h LEU 97 Ca 0.07 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.90 2khn h LEU 97 Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2khn h LEU 97 CO -0.01 0.42 -0.52 0.50 -4.11 0.00 0.00 178.44 174.71 2khn h LYS 98 N 0.00 0.63 0.00 0.17 1.63 -0.43 0.17 116.57 118.75 2khn h LYS 98 Ca -0.00 -0.38 -0.01 0.00 -0.85 0.00 0.00 60.65 59.41 2khn h LYS 98 Cb 1.15 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2khn h LYS 98 CO 0.05 0.99 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.94 2khn h LEU 99 N 0.49 0.00 0.00 5.20 3.38 -1.00 -1.59 115.31 121.79 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 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2khn h LEU 99 CO 0.10 0.04 -0.70 0.00 0.09 0.00 0.00 178.44 177.97 2khn n GLN 100 N -3.26 0.14 0.00 1.13 1.13 -0.76 -4.95 117.38 110.80 2khn n GLN 100 Ca -0.01 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2khn n GLN 100 Cb 0.21 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 28.99 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 1.43 1.09 3.90 1.08 0.00 -0.60 -5.09 105.19 107.00 2khn n GLY 101 Ca 0.04 0.00 -0.28 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 -2.00 3.55 0.02 1.61 1.51 -0.04 -4.99 117.35 117.01 2khn s TYR 102 Ca 0.00 0.89 0.02 0.00 -1.01 0.00 0.00 57.07 56.97 2khn s TYR 102 Cb 0.00 -2.36 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 2khn s TYR 102 CO 0.00 -0.28 -0.06 -1.14 -1.11 0.00 0.00 175.55 172.95 2khn s GLN 103 N -4.62 0.47 -0.09 -0.62 0.74 -1.26 -4.44 119.66 109.83 2khn s GLN 103 Ca 0.49 -0.51 -0.16 0.00 0.05 0.00 0.00 55.36 55.23 2khn s GLN 103 Cb -0.10 -0.32 0.04 0.00 1.10 0.00 0.00 33.01 33.72 2khn s GLN 103 CO 0.43 0.07 0.40 -0.48 -0.55 0.00 0.00 175.29 175.16 2khn s LEU 104 N -0.96 0.48 0.00 3.68 2.34 -1.26 -5.16 118.68 117.80 2khn s LEU 104 Ca -0.05 0.54 0.00 0.00 0.06 0.00 0.00 54.13 54.68 2khn s LEU 104 Cb -0.07 1.46 0.00 0.00 -0.56 0.00 0.00 46.19 47.03 2khn s LEU 104 CO 0.00 -0.30 0.00 -2.65 -1.06 0.00 0.00 176.35 172.34 2khn n PRO 105 N 2.09 -0.08 0.00 1.48 -0.02 -1.26 -4.91 135.00 132.30 2khn n PRO 105 Ca -0.17 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.43 2khn n PRO 105 Cb 0.57 0.00 0.70 0.00 -0.02 0.00 0.00 33.50 34.74 2khn n PRO 105 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2khn n SER 106 N -2.56 0.00 -4.37 2.55 3.41 -1.26 -4.33 113.62 107.06 2khn n SER 106 Ca 0.00 -0.61 -0.45 0.00 -0.26 0.00 0.00 58.87 57.55 2khn n SER 106 Cb 0.00 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.12 3.65 0.40 7.33 0.00 -1.26 -4.92 121.76 124.84 2khn s ALA 107 Ca 0.34 -2.76 -0.27 0.00 0.00 0.00 0.00 51.96 49.27 2khn s ALA 107 Cb 0.17 -3.63 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 2khn s ALA 107 CO 0.30 -2.45 1.39 -1.17 0.00 0.00 0.00 175.76 173.82 2khn s LEU 108 N 1.73 4.25 0.63 0.00 2.96 -1.26 -4.95 118.68 122.04 2khn s LEU 108 Ca 0.18 2.84 -0.18 0.00 -0.22 0.00 0.00 54.13 56.76 2khn s LEU 108 Cb -0.15 -3.81 -0.02 0.00 0.50 0.00 0.00 46.19 42.72 2khn s LEU 108 CO -0.03 -0.90 1.22 -2.84 -1.32 0.00 0.00 176.35 172.49 2khn s PRO 109 N -2.19 2.73 0.31 0.98 0.02 -1.26 -4.93 135.00 130.67 2khn s PRO 109 Ca 0.56 1.85 0.17 0.00 0.02 0.00 0.00 61.00 63.59 2khn s PRO 109 Cb -0.42 -1.90 0.29 0.00 0.02 0.00 0.00 34.50 32.49 2khn s PRO 109 CO 0.56 -1.40 1.55 -1.35 -0.33 0.00 0.00 177.00 176.02 2khn h PRO 110 N 0.58 0.00 0.00 5.54 0.11 -1.93 -3.15 132.00 133.15 2khn h PRO 110 Ca -0.50 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2khn h PRO 110 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 2khn h PRO 110 CO 0.54 0.46 -0.25 0.28 -0.21 0.00 0.00 178.00 178.82 2khn h VAL 111 N 0.00 0.44 0.15 3.15 2.07 -1.90 -1.99 116.25 118.16 2khn h VAL 111 Ca -0.00 -1.54 -0.32 0.00 0.82 0.00 0.00 66.70 65.66 2khn h VAL 111 Cb 1.22 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2khn h VAL 111 CO 0.06 0.24 -1.55 0.24 0.02 0.00 0.00 177.57 176.58 2khn h MET 112 N 0.00 0.31 0.00 1.57 2.86 -1.67 -3.27 114.93 114.73 2khn h MET 112 Ca -0.00 -0.53 -0.03 0.00 -2.06 0.00 0.00 59.70 57.08 2khn h MET 112 Cb 1.13 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.98 2khn h MET 112 CO 0.03 1.20 -0.16 1.57 1.06 0.00 0.00 176.91 180.61 2khn h LYS 113 N 0.08 0.00 0.00 1.72 2.10 -1.58 -3.45 116.57 115.45 2khn h LYS 113 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2khn h LYS 113 Cb 2.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.38 2khn h LYS 113 CO 0.18 0.16 0.00 1.04 -2.00 0.00 0.00 179.45 178.83 2khn n GLN 114 N -3.17 0.00 -3.69 0.07 6.02 -0.75 -4.23 117.38 111.62 2khn n GLN 114 Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.63 2khn n GLN 114 Cb 0.53 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.69 2khn n GLN 114 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2khn s GLN 115 N 0.00 2.33 0.77 -1.09 0.74 -1.26 -4.89 119.66 116.25 2khn s GLN 115 Ca 0.00 -1.63 -0.11 0.00 0.05 0.00 0.00 55.36 53.67 2khn s GLN 115 Cb 0.00 -3.67 0.06 0.00 1.10 0.00 0.00 33.01 30.50 2khn s GLN 115 CO 0.00 -1.01 1.10 -1.25 -0.55 0.00 0.00 175.29 173.58 2khn s PRO 116 N 1.29 2.24 -0.65 1.67 0.04 -1.26 -4.97 135.00 133.36 2khn s PRO 116 Ca 0.05 1.23 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 2khn s PRO 116 Cb -0.23 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.48 2khn s PRO 116 CO -0.01 -1.66 0.96 0.14 0.04 0.00 0.00 177.00 176.47 2khn s VAL 117 N -2.80 4.33 -0.41 -0.36 -7.23 -1.26 -4.97 120.40 107.70 2khn s VAL 117 Ca 0.62 -0.32 0.03 0.00 -1.81 0.00 0.00 61.98 60.50 2khn s VAL 117 Cb -0.18 -4.67 0.12 0.00 0.56 0.00 0.00 36.38 32.21 2khn s VAL 117 CO 0.54 -1.43 0.16 0.00 -0.31 0.00 0.00 175.10 174.06 2khn s ALA 118 N 4.04 2.65 -0.70 1.32 0.00 -1.26 -4.99 121.76 122.81 2khn s ALA 118 Ca 0.23 -2.63 0.05 0.00 0.00 0.00 0.00 51.96 49.60 2khn s ALA 118 Cb -0.17 -1.96 0.20 0.00 0.00 0.00 0.00 23.12 21.20 2khn s ALA 118 CO 0.11 -1.86 0.61 -0.89 0.00 0.00 0.00 175.76 173.73 2khn n ILE 119 N 3.86 2.03 0.99 0.00 -0.00 -1.26 -4.84 119.36 120.14 2khn n ILE 119 Ca 0.04 -5.03 0.10 0.00 -0.00 0.00 0.00 62.75 57.87 2khn n ILE 119 Cb 0.37 -2.17 -0.10 0.00 -0.00 0.00 0.00 39.64 37.74 2khn n ILE 119 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2khn n SER 120 N 1.57 1.13 -0.23 4.38 2.88 -1.26 -5.36 113.62 116.73 2khn n SER 120 Ca 0.24 -1.06 0.15 0.00 -1.33 0.00 0.00 58.87 56.86 2khn n SER 120 Cb 0.37 0.93 0.75 0.00 -0.75 0.00 0.00 64.21 65.51 2khn n SER 120 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27