#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 -0.74 1.26 3.03 0.00 -1.26 -5.09 105.19 102.40 2khn n GLY 2 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.03 0.00 0.00 1.61 8.25 -1.26 -5.02 115.22 118.77 2khn n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2khn n HIS 3 Cb 0.00 0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2khn n HIS 3 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2khn n HIS 4 N -2.02 0.00 -2.58 4.41 -0.00 -1.26 -5.01 115.22 108.76 2khn n HIS 4 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 2khn n HIS 4 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 2khn n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2khn s HIS 5 N -0.17 2.41 0.20 1.57 5.65 -1.26 -4.99 115.29 118.69 2khn s HIS 5 Ca 0.00 0.07 0.10 0.00 0.25 0.00 0.00 55.06 55.48 2khn s HIS 5 Cb 0.00 -4.57 -0.04 0.00 -1.18 0.00 0.00 32.58 26.79 2khn s HIS 5 CO 0.00 -1.90 -0.21 -3.38 -0.65 0.00 0.00 174.74 168.60 2khn s HIS 6 N 5.40 2.09 0.49 3.88 0.00 -1.26 -5.02 115.29 120.87 2khn s HIS 6 Ca 0.37 -0.41 0.00 0.00 -3.00 0.00 0.00 55.06 52.02 2khn s HIS 6 Cb -0.08 -1.01 0.00 0.00 -4.00 0.00 0.00 32.58 27.48 2khn s HIS 6 CO 0.18 0.46 0.02 0.72 -1.00 0.00 0.00 174.74 175.12 2khn n HIS 7 N 0.12 1.07 -3.42 0.38 -0.00 -1.26 -5.15 115.22 106.97 2khn n HIS 7 Ca -0.11 -2.42 -0.27 0.00 -0.00 0.00 0.00 57.72 54.91 2khn n HIS 7 Cb 0.57 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.99 30.20 2khn n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2khn s HIS 8 N -2.77 3.48 -0.23 4.41 4.02 -1.26 -5.10 115.29 117.84 2khn s HIS 8 Ca 0.01 0.52 -0.06 0.00 1.02 0.00 0.00 55.06 56.55 2khn s HIS 8 Cb -0.00 -2.01 0.12 0.00 -1.02 0.00 0.00 32.58 29.67 2khn s HIS 8 CO 0.01 0.20 0.45 -1.12 1.02 0.00 0.00 174.74 175.30 2khn s SER 9 N -3.35 -0.33 -0.08 1.40 0.01 -1.26 -5.14 113.70 104.96 2khn s SER 9 Ca 0.42 0.85 0.02 0.00 1.31 0.00 0.00 55.95 58.55 2khn s SER 9 Cb -0.11 1.47 -0.02 0.00 0.21 0.00 0.00 66.02 67.57 2khn s SER 9 CO 0.31 -0.25 -0.12 -1.00 0.41 0.00 0.00 173.24 172.59 2khn s HIS 10 N 2.65 2.79 -0.41 2.43 4.02 -1.26 -5.06 115.29 120.45 2khn s HIS 10 Ca 0.04 -0.25 0.07 0.00 1.02 0.00 0.00 55.06 55.94 2khn s HIS 10 Cb -0.13 -1.71 0.24 0.00 -1.02 0.00 0.00 32.58 29.95 2khn s HIS 10 CO -0.15 0.10 0.50 -1.33 1.02 0.00 0.00 174.74 174.88 2khn n MET 11 N 2.65 0.70 -3.38 1.40 0.00 -1.26 -5.00 117.12 112.24 2khn n MET 11 Ca -0.18 -3.28 -0.31 0.00 0.00 0.00 0.00 57.70 53.94 2khn n MET 11 Cb 0.52 -1.34 -0.06 0.00 0.00 0.00 0.00 33.22 32.34 2khn n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2khn n ALA 12 N 1.64 4.25 -2.56 3.04 0.00 -1.26 -5.04 120.51 120.58 2khn n ALA 12 Ca 0.23 -4.76 -0.43 0.00 0.00 0.00 0.00 53.44 48.48 2khn n ALA 12 Cb 0.51 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 2khn n ALA 12 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2khn s GLN 13 N -2.44 3.16 -0.28 0.00 1.11 -1.26 -5.02 119.66 114.93 2khn s GLN 13 Ca 0.37 -0.67 0.03 0.00 0.01 0.00 0.00 55.36 55.09 2khn s GLN 13 Cb 0.11 -3.99 0.07 0.00 -1.01 0.00 0.00 33.01 28.18 2khn s GLN 13 CO -0.00 -0.99 -0.06 -0.06 0.01 0.00 0.00 175.29 174.19 2khn s PHE 14 N 2.46 3.21 -0.91 0.91 0.08 -1.26 -5.06 117.98 117.41 2khn s PHE 14 Ca 0.16 -2.39 -0.24 0.00 0.12 0.00 0.00 56.93 54.59 2khn s PHE 14 Cb -0.17 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.23 2khn s PHE 14 CO 0.15 -0.88 1.33 -1.25 -0.10 0.00 0.00 175.22 174.47 2khn s PRO 15 N 1.11 3.45 -0.16 0.24 0.05 -1.26 -5.00 135.00 133.43 2khn s PRO 15 Ca -0.03 -0.93 -0.13 0.00 0.05 0.00 0.00 61.00 59.96 2khn s PRO 15 Cb -0.19 -4.90 -0.05 0.00 0.05 0.00 0.00 34.50 29.41 2khn s PRO 15 CO -0.06 -2.12 0.26 -0.08 0.05 0.00 0.00 177.00 175.05 2khn s THR 16 N 4.87 5.32 1.06 1.26 -1.32 -1.26 -5.08 115.64 120.49 2khn s THR 16 Ca 0.40 0.49 -0.13 0.00 -1.21 0.00 0.00 61.69 61.24 2khn s THR 16 Cb -0.04 -3.60 0.23 0.00 -1.51 0.00 0.00 72.50 67.58 2khn s THR 16 CO -0.02 0.42 1.07 -2.84 -2.21 0.00 0.00 174.62 171.04 2khn s PRO 17 N 0.31 -0.10 2.60 7.08 0.02 -1.26 -4.87 135.00 138.79 2khn s PRO 17 Ca 0.15 0.58 0.00 0.00 0.02 0.00 0.00 61.00 61.76 2khn s PRO 17 Cb -0.13 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.72 2khn s PRO 17 CO 0.03 -3.11 0.00 1.19 -0.33 0.00 0.00 177.00 174.79 2khn n PHE 18 N -4.45 -0.64 -1.52 6.54 3.72 -1.26 -4.99 117.46 114.86 2khn n PHE 18 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2khn n PHE 18 Cb 0.56 0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 2khn n PHE 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2khn n GLY 19 N 0.00 0.78 0.00 1.37 0.00 -1.26 -4.97 105.19 101.10 2khn n GLY 19 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2khn n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2khn n GLY 20 N -0.46 3.06 3.38 -0.02 0.00 -1.26 -4.96 105.19 104.93 2khn n GLY 20 Ca 0.00 -1.69 -0.45 0.00 0.00 0.00 0.00 46.02 43.87 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 0.00 6.94 0.12 1.61 0.01 -1.26 -5.01 113.70 116.10 2khn s SER 21 Ca 0.00 -2.85 0.07 0.00 1.31 0.00 0.00 55.95 54.48 2khn s SER 21 Cb 0.00 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2khn s SER 21 CO 0.00 -0.62 -0.08 -0.22 0.41 0.00 0.00 173.24 172.74 2khn s LEU 22 N 0.48 3.10 -0.29 2.44 2.96 -1.26 -4.86 118.68 121.25 2khn s LEU 22 Ca 0.28 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 2khn s LEU 22 Cb -0.08 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.76 2khn s LEU 22 CO -0.08 0.16 0.22 0.47 -1.32 0.00 0.00 176.35 175.80 2khn n ASP 23 N 0.49 -7.39 -0.03 3.68 8.00 -1.26 -5.00 116.55 115.03 2khn n ASP 23 Ca -0.12 0.81 -0.06 0.00 0.71 0.00 0.00 54.79 56.12 2khn n ASP 23 Cb 0.53 -4.08 -0.02 0.00 -0.02 0.00 0.00 41.12 37.53 2khn n ASP 23 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2khn n THR 24 N 0.49 0.35 0.09 -3.53 -1.04 -1.26 -4.70 114.28 104.69 2khn n THR 24 Ca 0.02 -0.10 0.01 0.00 -2.04 0.00 0.00 64.05 61.93 2khn n THR 24 Cb 0.30 -1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 67.42 2khn n THR 24 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 2khn h TRP 25 N -0.17 0.00 -4.06 -1.42 4.06 -1.98 -3.46 115.95 108.92 2khn h TRP 25 Ca -0.16 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.25 2khn h TRP 25 Cb 1.16 0.00 0.13 0.00 -1.00 0.00 0.00 29.16 29.45 2khn h TRP 25 CO -0.01 0.57 0.57 0.00 -3.56 0.00 0.00 178.44 176.00 2khn s ALA 26 N -2.93 2.72 -0.64 1.49 0.00 -1.26 -4.45 121.76 116.69 2khn s ALA 26 Ca 0.01 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.13 2khn s ALA 26 Cb 0.08 -3.54 0.17 0.00 0.00 0.00 0.00 23.12 19.83 2khn s ALA 26 CO 0.78 -1.34 0.53 0.42 0.00 0.00 0.00 175.76 176.14 2khn s ILE 27 N -1.37 4.61 0.86 0.00 1.01 -1.26 -4.94 121.20 120.11 2khn s ILE 27 Ca 0.74 -2.34 -0.14 0.00 0.00 0.00 0.00 60.65 58.91 2khn s ILE 27 Cb -0.38 -3.95 0.20 0.00 0.01 0.00 0.00 42.46 38.34 2khn s ILE 27 CO 0.44 -0.90 1.17 0.41 0.00 0.00 0.00 174.94 176.05 2khn n THR 28 N 4.20 0.00 -0.22 2.92 -1.04 -1.26 -4.74 114.28 114.15 2khn n THR 28 Ca 0.04 -0.92 -0.05 0.00 -2.04 0.00 0.00 64.05 61.08 2khn n THR 28 Cb 0.42 -1.51 0.05 0.00 -1.82 0.00 0.00 70.33 67.47 2khn n THR 28 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2khn h VAL 29 N -1.60 1.11 -0.74 12.58 2.07 -1.98 0.34 116.25 128.02 2khn h VAL 29 Ca -0.38 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2khn h VAL 29 Cb 1.06 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2khn h VAL 29 CO 0.27 0.14 0.41 -0.08 0.02 0.00 0.00 177.57 178.34 2khn h GLU 30 N 0.78 1.03 -0.13 1.57 4.81 -1.98 0.11 114.58 120.78 2khn h GLU 30 Ca 0.24 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 2khn h GLU 30 Cb -0.02 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2khn h GLU 30 CO -0.08 0.76 -0.40 0.93 -0.73 0.00 0.00 179.01 179.49 2khn h GLU 31 N 1.02 0.28 0.03 1.92 4.39 -1.73 0.26 114.58 120.75 2khn h GLU 31 Ca 0.26 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2khn h GLU 31 Cb 0.03 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2khn h GLU 31 CO -0.04 0.64 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.34 2khn h ARG 32 N 0.24 -0.03 0.00 2.33 9.65 0.36 -2.97 114.38 123.95 2khn h ARG 32 Ca 0.02 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2khn h ARG 32 Cb 0.81 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 2khn h ARG 32 CO 0.06 0.25 -0.14 0.00 2.80 0.00 0.00 179.97 182.94 2khn h ALA 33 N 0.65 1.20 -0.24 2.80 0.00 -0.66 -2.97 119.26 120.03 2khn h ALA 33 Ca -0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2khn h ALA 33 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2khn h ALA 33 CO 0.01 0.18 0.22 -0.22 0.00 0.00 0.00 179.25 179.43 2khn h LYS 34 N 0.00 0.00 -0.39 0.00 1.63 -0.76 -1.47 116.57 115.57 2khn h LYS 34 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2khn h LYS 34 Cb 0.43 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2khn h LYS 34 CO 0.02 0.00 0.19 1.12 -3.45 0.00 0.00 179.45 177.33 2khn h HIS 35 N 0.00 0.53 0.01 1.91 2.07 -1.63 -3.01 115.15 115.04 2khn h HIS 35 Ca 0.11 -0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.63 2khn h HIS 35 Cb 0.55 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 30.36 2khn h HIS 35 CO 0.00 0.39 -0.00 0.22 -3.07 0.00 0.00 177.93 175.47 2khn h ASP 36 N 0.55 -0.01 -0.93 3.10 3.58 -1.50 0.12 116.42 121.33 2khn h ASP 36 Ca 0.14 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.59 2khn h ASP 36 Cb 0.06 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.06 2khn h ASP 36 CO -0.02 0.00 0.61 -0.61 -2.88 0.00 0.00 179.24 176.35 2khn h GLN 37 N -0.02 1.23 0.03 0.28 4.15 -1.68 0.13 115.11 119.22 2khn h GLN 37 Ca -0.00 -0.08 -0.25 0.00 0.77 0.00 0.00 58.65 59.09 2khn h GLN 37 Cb 0.02 -0.28 0.02 0.00 0.21 0.00 0.00 27.48 27.46 2khn h GLN 37 CO 0.00 0.82 -1.00 1.96 -1.93 0.00 0.00 178.83 178.68 2khn h GLN 38 N 1.26 0.63 -0.63 1.69 1.08 -1.51 -3.11 115.11 114.53 2khn h GLN 38 Ca 0.34 -0.71 -0.07 0.00 -1.45 0.00 0.00 58.65 56.76 2khn h GLN 38 Cb -0.14 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 2khn h GLN 38 CO -0.07 1.30 0.11 0.35 -0.95 0.00 0.00 178.83 179.56 2khn h PHE 39 N 0.27 1.07 -0.99 2.96 3.57 -0.38 -2.28 116.94 121.15 2khn h PHE 39 Ca -0.13 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.25 2khn h PHE 39 Cb 1.67 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 40.06 2khn h PHE 39 CO 0.12 0.90 0.65 1.25 -2.23 0.00 0.00 178.31 179.00 2khn h HIS 40 N 0.96 1.24 0.00 0.41 2.76 -0.80 -1.99 115.15 117.72 2khn h HIS 40 Ca 0.19 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2khn h HIS 40 Cb 0.41 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2khn h HIS 40 CO 0.03 0.76 0.00 0.77 -1.30 0.00 0.00 177.93 178.18 2khn h SER 41 N 1.31 0.00 0.83 3.26 0.02 -1.38 -3.16 113.55 114.43 2khn h SER 41 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2khn h SER 41 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2khn h SER 41 CO -0.09 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 175.49 2khn n LEU 42 N -2.80 0.38 -2.90 5.07 0.00 -0.75 -4.93 117.00 111.06 2khn n LEU 42 Ca 0.03 0.57 -0.05 0.00 0.00 0.00 0.00 56.01 56.56 2khn n LEU 42 Cb 0.42 -0.50 0.02 0.00 0.00 0.00 0.00 43.42 43.36 2khn n LEU 42 CO 0.30 -0.31 0.19 0.29 0.00 0.00 0.00 177.39 177.86 2khn n LYS 43 N -1.89 -1.45 -2.26 1.96 4.76 -1.19 -4.96 118.16 113.12 2khn n LYS 43 Ca 0.04 1.11 -0.42 0.00 -2.87 0.00 0.00 58.31 56.17 2khn n LYS 43 Cb 0.26 -5.19 -0.03 0.00 -1.84 0.00 0.00 35.03 28.23 2khn n LYS 43 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2khn s PRO 44 N -3.48 4.35 0.00 1.97 0.04 -1.26 -4.98 135.00 131.64 2khn s PRO 44 Ca 0.16 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2khn s PRO 44 Cb -0.02 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2khn s PRO 44 CO 0.64 -0.39 0.32 -0.89 0.04 0.00 0.00 177.00 176.73 2khn n ILE 45 N 4.01 0.00 -1.32 0.56 -0.00 -1.14 -4.20 119.36 117.26 2khn n ILE 45 Ca 0.11 0.75 -0.24 0.00 -0.00 0.00 0.00 62.75 63.37 2khn n ILE 45 Cb 0.44 -1.62 0.15 0.00 -0.00 0.00 0.00 39.64 38.61 2khn n ILE 45 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2khn n SER 46 N -1.67 4.61 0.00 4.38 7.64 -1.26 -4.80 113.62 122.51 2khn n SER 46 Ca 0.00 -3.69 0.00 0.00 1.01 0.00 0.00 58.87 56.19 2khn n SER 46 Cb 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 -1.07 0.79 3.50 0.23 0.00 -1.26 -5.05 105.19 102.33 2khn n GLY 47 Ca 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.49 2khn n GLY 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2khn s PHE 48 N -2.16 0.49 0.46 1.61 -0.71 -1.26 -4.99 117.98 111.43 2khn s PHE 48 Ca 0.00 -0.83 0.01 0.00 -1.04 0.00 0.00 56.93 55.07 2khn s PHE 48 Cb 0.00 0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.85 2khn s PHE 48 CO 0.00 -0.91 0.05 0.44 -1.34 0.00 0.00 175.22 173.47 2khn n ILE 49 N -0.35 0.00 -4.26 -4.49 -0.00 -1.26 -2.91 119.36 106.10 2khn n ILE 49 Ca -0.02 -2.35 -0.16 0.00 -0.00 0.00 0.00 62.75 60.23 2khn n ILE 49 Cb 0.63 0.61 -0.09 0.00 -0.00 0.00 0.00 39.64 40.78 2khn n ILE 49 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2khn s THR 50 N -2.89 0.10 0.39 7.28 -1.32 -1.26 -4.83 115.64 113.10 2khn s THR 50 Ca 0.08 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.66 2khn s THR 50 Cb 0.00 -2.51 0.32 0.00 -1.51 0.00 0.00 72.50 68.80 2khn s THR 50 CO 0.05 0.00 1.95 1.23 -2.21 0.00 0.00 174.62 175.64 2khn h GLY 51 N 2.39 0.83 0.99 6.08 0.00 -1.71 0.59 103.07 112.24 2khn h GLY 51 Ca -0.33 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2khn h GLY 51 CO 0.49 0.14 0.09 -1.80 0.00 0.00 0.00 176.54 175.45 2khn h ASP 52 N 0.58 0.15 -0.45 0.19 3.58 -1.96 -1.58 116.42 116.93 2khn h ASP 52 Ca 0.33 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.65 2khn h ASP 52 Cb 0.50 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2khn h ASP 52 CO -0.11 0.13 -0.14 1.56 -2.88 0.00 0.00 179.24 177.79 2khn h GLN 53 N 0.17 0.94 -0.19 0.28 4.20 -1.73 -2.81 115.11 115.97 2khn h GLN 53 Ca 0.05 -0.35 0.05 0.00 0.06 0.00 0.00 58.65 58.46 2khn h GLN 53 Cb -0.01 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.65 2khn h GLN 53 CO -0.01 1.01 -0.26 0.00 -0.67 0.00 0.00 178.83 178.90 2khn h ALA 54 N 1.00 -0.21 -0.70 3.87 0.00 -0.59 -0.90 119.26 121.74 2khn h ALA 54 Ca 0.13 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2khn h ALA 54 Cb 0.68 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2khn h ALA 54 CO 0.05 -0.71 0.44 0.00 0.00 0.00 0.00 179.25 179.03 2khn h ARG 55 N -0.30 0.84 -0.69 0.00 3.08 -1.23 0.63 114.38 116.70 2khn h ARG 55 Ca 0.12 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.13 2khn h ARG 55 Cb 0.48 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 2khn h ARG 55 CO -0.36 0.55 0.46 -0.97 -1.07 0.00 0.00 179.97 178.58 2khn h ASN 56 N 0.86 0.78 -0.07 7.04 -0.73 -1.10 0.47 115.58 122.83 2khn h ASN 56 Ca 0.28 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.42 2khn h ASN 56 Cb 0.01 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.41 2khn h ASN 56 CO -0.11 0.56 -0.02 0.15 -0.37 0.00 0.00 177.43 177.65 2khn h PHE 57 N 0.93 0.15 -0.10 0.67 3.04 -0.77 -1.40 116.94 119.46 2khn h PHE 57 Ca 0.26 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.22 2khn h PHE 57 Cb -0.09 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.33 2khn h PHE 57 CO -0.03 0.46 -0.25 0.74 -2.02 0.00 0.00 178.31 177.21 2khn h PHE 58 N -0.20 -0.67 -0.74 0.41 0.04 -0.39 -2.14 116.94 113.24 2khn h PHE 58 Ca 0.02 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 2khn h PHE 58 Cb 0.41 0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.84 2khn h PHE 58 CO 0.05 -0.33 0.22 0.35 -0.60 0.00 0.00 178.31 178.00 2khn h PHE 59 N -0.33 1.21 0.00 -0.55 3.57 -0.10 -2.08 116.94 118.66 2khn h PHE 59 Ca 0.09 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2khn h PHE 59 Cb 0.47 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2khn h PHE 59 CO -0.33 0.95 -0.01 0.37 -2.23 0.00 0.00 178.31 177.06 2khn h GLN 60 N 1.11 0.00 0.00 1.11 -0.00 -0.97 -1.54 115.11 114.82 2khn h GLN 60 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 2khn h GLN 60 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.80 2khn h GLN 60 CO -0.01 0.01 0.00 0.43 0.00 0.00 0.00 178.83 179.26 2khn n SER 61 N -3.11 0.44 -0.05 -0.69 7.64 -0.78 -4.89 113.62 112.18 2khn n SER 61 Ca -0.01 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2khn n SER 61 Cb 0.23 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 0.85 1.28 3.20 0.23 0.00 -0.58 -5.03 105.19 105.13 2khn n GLY 62 Ca 0.05 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.10 2.13 0.62 0.99 1.43 -1.25 -5.08 118.68 117.42 2khn s LEU 63 Ca 0.00 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 2khn s LEU 63 Cb 0.00 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 2khn s LEU 63 CO 0.00 0.14 1.04 -2.84 0.23 0.00 0.00 176.35 174.92 2khn s PRO 64 N -0.96 3.41 0.19 1.29 0.02 -1.26 -4.39 135.00 133.29 2khn s PRO 64 Ca 0.06 0.93 -0.13 0.00 0.02 0.00 0.00 61.00 61.88 2khn s PRO 64 Cb -0.08 -2.05 0.20 0.00 0.02 0.00 0.00 34.50 32.58 2khn s PRO 64 CO 0.01 -0.72 1.71 1.96 -0.33 0.00 0.00 177.00 179.63 2khn h GLN 65 N -0.09 0.22 0.00 5.54 4.20 -1.98 0.30 115.11 123.29 2khn h GLN 65 Ca -0.45 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2khn h GLN 65 Cb 1.20 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2khn h GLN 65 CO 0.59 0.14 0.09 -1.00 -0.67 0.00 0.00 178.83 177.99 2khn h PRO 66 N 0.22 0.00 0.01 1.46 0.13 -1.99 0.36 132.00 132.19 2khn h PRO 66 Ca 0.25 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.05 2khn h PRO 66 Cb 0.35 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.42 2khn h PRO 66 CO -0.34 0.00 -2.08 0.28 -0.23 0.00 0.00 178.00 175.63 2khn n VAL 67 N -2.89 1.51 -0.02 1.56 0.31 0.37 -3.66 118.33 115.52 2khn n VAL 67 Ca -0.02 -0.80 -0.13 0.00 -0.01 0.00 0.00 64.34 63.37 2khn n VAL 67 Cb 0.15 -0.84 -0.09 0.00 -0.91 0.00 0.00 33.84 32.15 2khn n VAL 67 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2khn h LEU 68 N 0.00 0.06 -2.12 7.52 3.38 0.12 -2.83 115.31 121.44 2khn h LEU 68 Ca -0.43 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2khn h LEU 68 Cb 2.12 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.85 2khn h LEU 68 CO 0.05 0.48 0.01 0.00 0.09 0.00 0.00 178.44 179.06 2khn h ALA 69 N 0.59 1.88 -0.44 1.53 0.00 -0.57 0.21 119.26 122.46 2khn h ALA 69 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2khn h ALA 69 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2khn h ALA 69 CO 0.00 -0.01 0.13 0.37 0.00 0.00 0.00 179.25 179.74 2khn h GLN 70 N 0.00 0.68 -0.10 0.00 -0.00 -1.59 0.36 115.11 114.47 2khn h GLN 70 Ca 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 58.65 58.49 2khn h GLN 70 Cb 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.39 2khn h GLN 70 CO -0.00 0.67 0.00 0.82 0.00 0.00 0.00 178.83 180.32 2khn h ILE 71 N 0.57 1.25 -0.42 2.39 2.04 -0.87 -3.12 117.51 119.35 2khn h ILE 71 Ca 0.14 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2khn h ILE 71 Cb 0.28 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2khn h ILE 71 CO -0.00 0.22 0.27 -0.25 0.00 0.00 0.00 178.15 178.39 2khn h TRP 72 N -0.10 0.54 -0.36 1.37 7.01 -0.47 0.23 115.95 124.17 2khn h TRP 72 Ca 0.03 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2khn h TRP 72 Cb 0.34 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 2khn h TRP 72 CO 0.03 0.36 0.13 0.00 -2.79 0.00 0.00 178.44 176.17 2khn h ALA 73 N 1.14 1.56 0.02 2.65 0.00 -0.34 -1.89 119.26 122.40 2khn h ALA 73 Ca 0.15 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 2khn h ALA 73 Cb -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2khn h ALA 73 CO -0.03 0.34 -1.13 -0.07 0.00 0.00 0.00 179.25 178.36 2khn h LEU 74 N 0.51 0.07 0.00 0.00 3.38 -1.35 -3.42 115.31 114.50 2khn h LEU 74 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2khn h LEU 74 Cb 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2khn h LEU 74 CO -0.01 1.07 0.00 0.00 0.09 0.00 0.00 178.44 179.59 2khn n ALA 75 N -2.41 -0.34 -2.75 1.53 0.00 0.77 -3.99 120.51 113.32 2khn n ALA 75 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 2khn n ALA 75 Cb 0.97 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.39 2khn n ALA 75 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2khn s ASP 76 N -2.15 6.34 0.49 0.00 -4.77 -1.19 -4.79 116.67 110.61 2khn s ASP 76 Ca 0.00 -1.21 0.26 0.00 -3.30 0.00 0.00 52.55 48.30 2khn s ASP 76 Cb 0.00 -2.47 1.32 0.00 -1.09 0.00 0.00 42.92 40.68 2khn s ASP 76 CO 0.00 -1.45 1.88 0.24 0.70 0.00 0.00 175.17 176.54 2khn h MET 77 N 9.54 0.15 0.00 2.11 2.86 -1.81 0.69 114.93 128.47 2khn h MET 77 Ca -0.09 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2khn h MET 77 Cb 1.04 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2khn h MET 77 CO 1.23 0.10 0.00 -1.71 1.06 0.00 0.00 176.91 177.60 2khn n ASN 78 N -4.38 0.50 -3.38 1.22 5.15 -1.26 -4.93 115.26 108.18 2khn n ASN 78 Ca 0.18 0.59 -0.13 0.00 -0.60 0.00 0.00 54.58 54.63 2khn n ASN 78 Cb 0.84 -0.71 0.01 0.00 -0.53 0.00 0.00 39.78 39.38 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 -2.02 -6.50 -0.09 1.20 4.05 0.24 -4.95 115.26 107.19 2khn n ASN 79 Ca 0.04 -0.51 -0.07 0.00 0.45 0.00 0.00 54.58 54.48 2khn n ASN 79 Cb 0.28 -3.94 -0.15 0.00 1.23 0.00 0.00 39.78 37.20 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 -2.24 0.31 0.00 1.20 -0.08 -1.26 -5.00 116.55 109.48 2khn n ASP 80 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 2khn n ASP 80 Cb 0.58 1.06 0.00 0.00 2.34 0.00 0.00 41.12 45.10 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 1.78 0.53 0.00 0.27 0.00 -1.26 -4.90 105.19 101.61 2khn n GLY 81 Ca -0.28 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2khn n GLY 81 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2khn n ARG 82 N -2.76 2.85 -2.41 1.61 3.00 -1.26 -3.22 116.66 114.47 2khn n ARG 82 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 2khn n ARG 82 Cb 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 32.46 31.52 2khn n ARG 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2khn n MET 83 N -1.91 -1.60 -1.84 -0.14 0.00 -1.26 -4.16 117.12 106.21 2khn n MET 83 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 57.70 58.66 2khn n MET 83 Cb 0.44 -1.67 0.12 0.00 0.00 0.00 0.00 33.22 32.11 2khn n MET 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2khn s ASP 84 N -0.15 4.04 0.55 3.17 2.15 -1.26 -4.70 116.67 120.47 2khn s ASP 84 Ca -0.03 0.71 0.23 0.00 0.43 0.00 0.00 52.55 53.89 2khn s ASP 84 Cb 0.00 -1.13 1.50 0.00 -0.30 0.00 0.00 42.92 42.99 2khn s ASP 84 CO 0.07 -2.19 2.16 1.56 -0.17 0.00 0.00 175.17 176.60 2khn h GLN 85 N -1.26 0.00 0.59 4.34 7.50 -1.94 0.39 115.11 124.73 2khn h GLN 85 Ca -0.46 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 58.66 2khn h GLN 85 Cb 1.31 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.85 2khn h GLN 85 CO 0.60 0.00 -0.28 0.28 -1.50 0.00 0.00 178.83 177.92 2khn h VAL 86 N 0.00 0.39 -0.63 -0.54 2.07 -1.99 0.10 116.25 115.66 2khn h VAL 86 Ca 0.04 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2khn h VAL 86 Cb 0.19 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2khn h VAL 86 CO -0.00 0.02 0.25 -0.33 0.02 0.00 0.00 177.57 177.53 2khn h GLU 87 N -0.87 0.91 0.00 1.57 3.07 -1.58 -2.08 114.58 115.61 2khn h GLU 87 Ca -0.08 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 58.57 2khn h GLU 87 Cb 0.64 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 2khn h GLU 87 CO 0.13 0.75 -0.32 0.35 -1.40 0.00 0.00 179.01 178.52 2khn h PHE 88 N 0.90 0.00 0.00 4.33 3.57 -0.18 0.11 116.94 125.67 2khn h PHE 88 Ca 0.21 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2khn h PHE 88 Cb 0.17 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2khn h PHE 88 CO 0.01 0.32 -0.08 1.03 -2.23 0.00 0.00 178.31 177.36 2khn h SER 89 N 0.00 0.00 0.00 0.41 0.87 -0.23 -2.08 113.55 112.52 2khn h SER 89 Ca -0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 2khn h SER 89 Cb 0.60 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 2khn h SER 89 CO 0.04 0.08 -1.90 0.00 -0.53 0.00 0.00 176.83 174.53 2khn n ILE 90 N -3.44 0.59 -0.02 2.23 3.06 -0.91 -4.58 119.36 116.28 2khn n ILE 90 Ca -0.01 -0.52 -0.08 0.00 -2.50 0.00 0.00 62.75 59.64 2khn n ILE 90 Cb 0.23 -0.29 0.10 0.00 0.54 0.00 0.00 39.64 40.21 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 1.04 0.84 0.00 1.51 0.00 -0.39 -3.00 119.26 119.26 2khn h ALA 91 Ca -0.23 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 2khn h ALA 91 Cb 1.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2khn h ALA 91 CO 0.01 0.64 -0.16 0.00 0.00 0.00 0.00 179.25 179.74 2khn h MET 92 N 0.51 0.00 -0.25 0.00 -0.00 -1.64 -1.56 114.93 111.99 2khn h MET 92 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.60 2khn h MET 92 Cb 0.88 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.47 2khn h MET 92 CO 0.08 0.16 -0.44 0.87 -0.00 0.00 0.00 176.91 177.58 2khn h LYS 93 N 0.00 0.62 -0.69 -0.10 1.57 -1.79 -2.21 116.57 113.97 2khn h LYS 93 Ca -0.00 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.38 2khn h LYS 93 Cb 0.46 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2khn h LYS 93 CO 0.02 0.94 0.18 1.25 -0.57 0.00 0.00 179.45 181.27 2khn h LEU 94 N 0.50 1.03 -0.29 2.94 5.85 -1.34 0.80 115.31 124.81 2khn h LEU 94 Ca 0.03 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2khn h LEU 94 Cb 0.97 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2khn h LEU 94 CO 0.09 0.98 0.14 0.40 -0.34 0.00 0.00 178.44 179.72 2khn h ILE 95 N 1.04 1.15 -0.39 4.05 2.04 -1.38 0.67 117.51 124.70 2khn h ILE 95 Ca 0.22 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2khn h ILE 95 Cb 0.35 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2khn h ILE 95 CO -0.00 0.15 0.20 0.50 0.00 0.00 0.00 178.15 179.00 2khn h LYS 96 N 0.34 0.39 -0.44 2.37 3.11 -0.96 -0.68 116.57 120.71 2khn h LYS 96 Ca 0.10 -0.02 -0.12 0.00 -2.81 0.00 0.00 60.65 57.80 2khn h LYS 96 Cb 0.11 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.24 2khn h LYS 96 CO -0.01 0.26 -0.20 -0.07 -2.81 0.00 0.00 179.45 176.61 2khn h LEU 97 N 0.41 0.89 -0.47 5.20 -0.00 -0.65 -1.49 115.31 119.18 2khn h LEU 97 Ca 0.16 -0.32 -0.09 0.00 -0.00 0.00 0.00 57.88 57.63 2khn h LEU 97 Cb 0.06 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.46 2khn h LEU 97 CO -0.11 1.06 -0.06 0.11 -0.00 0.00 0.00 178.44 179.45 2khn h LYS 98 N 0.76 0.88 0.00 1.13 1.57 -0.54 0.21 116.57 120.58 2khn h LYS 98 Ca 0.11 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2khn h LYS 98 Cb 0.74 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2khn h LYS 98 CO 0.06 0.95 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.79 2khn h LEU 99 N 0.72 0.00 -0.54 2.94 3.38 -1.06 -0.74 115.31 120.01 2khn h LEU 99 Ca 0.13 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 2khn h LEU 99 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2khn h LEU 99 CO 0.04 0.03 -0.52 -0.61 0.09 0.00 0.00 178.44 177.47 2khn h GLN 100 N 0.00 0.00 0.00 1.13 5.75 -0.70 -3.47 115.11 117.82 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 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.11 2khn h GLN 100 CO 0.00 0.52 0.00 0.41 -2.65 0.00 0.00 178.83 177.11 2khn n GLY 101 N 0.65 1.62 3.99 2.39 0.00 -0.28 -5.08 105.19 108.47 2khn n GLY 101 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 2.92 -0.01 1.61 1.51 0.62 -4.98 117.35 117.01 2khn s TYR 102 Ca 0.00 -0.20 -0.11 0.00 -1.01 0.00 0.00 57.07 55.75 2khn s TYR 102 Cb 0.00 -2.40 0.01 0.00 -0.11 0.00 0.00 41.96 39.46 2khn s TYR 102 CO 0.00 -0.46 0.22 -1.14 -1.11 0.00 0.00 175.55 173.06 2khn s GLN 103 N -4.45 0.55 -0.01 -0.62 0.74 -1.26 -4.17 119.66 110.44 2khn s GLN 103 Ca 0.53 -0.24 -0.04 0.00 0.05 0.00 0.00 55.36 55.66 2khn s GLN 103 Cb -0.10 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.25 2khn s GLN 103 CO 0.35 -0.14 0.09 -1.17 -0.55 0.00 0.00 175.29 173.87 2khn s LEU 104 N -1.22 1.72 0.00 3.68 2.96 -1.26 -5.12 118.68 119.44 2khn s LEU 104 Ca -0.13 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2khn s LEU 104 Cb -0.06 0.43 0.00 0.00 0.50 0.00 0.00 46.19 47.06 2khn s LEU 104 CO 0.03 -0.23 0.00 -0.81 -1.32 0.00 0.00 176.35 174.02 2khn n PRO 105 N 2.09 0.50 0.00 0.98 -0.04 -1.26 -4.94 135.00 132.33 2khn n PRO 105 Ca -0.19 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.37 2khn n PRO 105 Cb 0.57 0.00 0.55 0.00 -0.04 0.00 0.00 33.50 34.58 2khn n PRO 105 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2khn n SER 106 N -2.42 0.00 -4.42 3.54 3.41 -1.26 -4.40 113.62 108.07 2khn n SER 106 Ca 0.00 -0.14 -0.44 0.00 -0.26 0.00 0.00 58.87 58.03 2khn n SER 106 Cb 0.00 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.46 3.23 0.28 7.33 0.00 -1.26 -4.97 121.76 123.91 2khn s ALA 107 Ca 0.22 -2.01 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 2khn s ALA 107 Cb 0.14 -3.74 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 2khn s ALA 107 CO 0.31 -2.62 1.20 -1.17 0.00 0.00 0.00 175.76 173.48 2khn s LEU 108 N 3.51 4.49 0.55 0.00 0.20 -1.26 -5.00 118.68 121.17 2khn s LEU 108 Ca 0.18 2.43 -0.19 0.00 0.69 0.00 0.00 54.13 57.24 2khn s LEU 108 Cb -0.19 -3.63 -0.06 0.00 -0.43 0.00 0.00 46.19 41.88 2khn s LEU 108 CO 0.08 -0.34 1.13 -2.84 -0.29 0.00 0.00 176.35 174.09 2khn s PRO 109 N -1.37 3.35 0.00 0.98 0.02 -1.26 -4.92 135.00 131.79 2khn s PRO 109 Ca 0.48 1.59 0.26 0.00 0.02 0.00 0.00 61.00 63.35 2khn s PRO 109 Cb -0.35 -2.01 1.25 0.00 0.02 0.00 0.00 34.50 33.41 2khn s PRO 109 CO 0.45 -0.85 1.87 -0.35 -0.33 0.00 0.00 177.00 177.79 2khn n PRO 110 N -1.34 0.25 0.14 5.54 -0.04 -1.26 -2.73 135.00 135.56 2khn n PRO 110 Ca 0.11 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2khn n PRO 110 Cb 0.51 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.52 2khn n PRO 110 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2khn h VAL 111 N 0.00 0.36 0.03 0.52 2.07 -1.91 -0.52 116.25 116.81 2khn h VAL 111 Ca 0.00 -1.56 -0.32 0.00 0.82 0.00 0.00 66.70 65.64 2khn h VAL 111 Cb 0.31 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 2khn h VAL 111 CO 0.00 0.21 -1.78 0.23 0.02 0.00 0.00 177.57 176.25 2khn n MET 112 N -3.02 0.63 0.20 1.57 2.81 -1.11 -4.12 117.12 114.08 2khn n MET 112 Ca 0.00 0.41 0.13 0.00 -1.81 0.00 0.00 57.70 56.43 2khn n MET 112 Cb 0.65 -1.67 0.26 0.00 -0.71 0.00 0.00 33.22 31.74 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 -0.65 0.00 0.00 0.03 5.09 -1.68 -3.45 116.57 115.91 2khn h LYS 113 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.29 2khn h LYS 113 Cb 1.59 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.92 2khn h LYS 113 CO -0.16 0.00 0.00 1.04 -2.09 0.00 0.00 179.45 178.24 2khn n GLN 114 N -2.93 0.00 -2.99 0.07 6.02 -0.20 -4.64 117.38 112.71 2khn n GLN 114 Ca 0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.63 2khn n GLN 114 Cb 0.49 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.70 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 4.47 -0.25 -1.09 0.74 -1.26 -4.89 119.66 117.39 2khn s GLN 115 Ca 0.00 1.02 -0.39 0.00 0.05 0.00 0.00 55.36 56.04 2khn s GLN 115 Cb 0.00 -3.40 -0.15 0.00 1.10 0.00 0.00 33.01 30.56 2khn s GLN 115 CO 0.00 0.18 1.79 -2.30 -0.55 0.00 0.00 175.29 174.41 2khn n PRO 116 N 3.23 1.36 -1.87 1.67 -0.02 -1.26 -4.84 135.00 133.27 2khn n PRO 116 Ca -0.01 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 2khn n PRO 116 Cb 0.51 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 2khn n PRO 116 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2khn s VAL 117 N 3.80 2.82 -0.26 -1.45 -7.23 -1.26 -4.98 120.40 111.84 2khn s VAL 117 Ca 0.98 0.36 -0.11 0.00 -1.81 0.00 0.00 61.98 61.40 2khn s VAL 117 Cb -0.99 -3.23 0.10 0.00 0.56 0.00 0.00 36.38 32.82 2khn s VAL 117 CO 0.63 0.00 0.58 0.00 -0.31 0.00 0.00 175.10 176.00 2khn s ALA 118 N 2.39 -1.71 -1.05 1.32 0.00 -1.26 -5.08 121.76 116.37 2khn s ALA 118 Ca 0.75 2.10 -0.13 0.00 0.00 0.00 0.00 51.96 54.68 2khn s ALA 118 Cb -0.42 -1.51 0.21 0.00 0.00 0.00 0.00 23.12 21.40 2khn s ALA 118 CO 0.33 -0.70 1.13 0.42 0.00 0.00 0.00 175.76 176.93 2khn s ILE 119 N 2.40 5.45 0.06 0.00 -1.09 -1.26 -4.96 121.20 121.80 2khn s ILE 119 Ca -0.06 -2.70 -0.17 0.00 -2.23 0.00 0.00 60.65 55.49 2khn s ILE 119 Cb -0.10 -4.69 0.03 0.00 -1.58 0.00 0.00 42.46 36.12 2khn s ILE 119 CO -0.17 -1.32 0.38 -0.44 -1.23 0.00 0.00 174.94 172.16 2khn s SER 120 N 2.30 -0.23 0.00 3.58 0.01 -1.26 -5.37 113.70 112.73 2khn s SER 120 Ca 0.31 -0.13 0.26 0.00 1.31 0.00 0.00 55.95 57.71 2khn s SER 120 Cb -0.07 0.42 1.57 0.00 0.21 0.00 0.00 66.02 68.15 2khn s SER 120 CO -0.06 -0.70 1.92 -0.24 0.41 0.00 0.00 173.24 174.56