#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 0.75 2.51 -5.12 0.00 -1.26 -5.00 105.19 97.08 2khn n GLY 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2khn n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2khn n HIS 3 N -1.00 2.89 -2.43 1.61 -0.00 -1.26 -4.89 115.22 110.14 2khn n HIS 3 Ca 0.00 -3.02 -0.40 0.00 -0.00 0.00 0.00 57.72 54.30 2khn n HIS 3 Cb 0.00 -2.45 -0.03 0.00 -0.00 0.00 0.00 29.99 27.51 2khn n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2khn s HIS 4 N 2.25 2.19 -0.33 1.57 2.46 -1.26 -4.90 115.29 117.27 2khn s HIS 4 Ca 0.58 -0.00 -0.01 0.00 0.47 0.00 0.00 55.06 56.10 2khn s HIS 4 Cb 0.16 -4.51 0.13 0.00 -0.13 0.00 0.00 32.58 28.22 2khn s HIS 4 CO -0.07 -2.08 0.20 -1.58 -2.47 0.00 0.00 174.74 168.74 2khn s HIS 5 N 6.44 0.41 -0.31 3.88 5.65 -1.26 -5.05 115.29 125.04 2khn s HIS 5 Ca 0.45 -1.20 0.02 0.00 0.25 0.00 0.00 55.06 54.58 2khn s HIS 5 Cb -0.07 -0.83 0.19 0.00 -1.18 0.00 0.00 32.58 30.69 2khn s HIS 5 CO 0.11 -0.85 0.73 -1.58 -0.65 0.00 0.00 174.74 172.50 2khn s HIS 6 N 1.55 -1.44 -0.14 3.88 5.04 -1.26 -5.03 115.29 117.89 2khn s HIS 6 Ca 0.14 0.71 -0.03 0.00 -1.54 0.00 0.00 55.06 54.34 2khn s HIS 6 Cb -0.19 0.25 -0.08 0.00 0.04 0.00 0.00 32.58 32.60 2khn s HIS 6 CO -0.15 -0.87 -0.15 1.58 -2.34 0.00 0.00 174.74 172.81 2khn n HIS 7 N 5.08 0.00 -3.20 3.88 -0.00 -1.26 -4.98 115.22 114.74 2khn n HIS 7 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2khn n HIS 7 Cb 0.56 -0.53 -0.02 0.00 -0.00 0.00 0.00 29.99 30.00 2khn n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2khn s HIS 8 N -2.27 -1.51 0.32 1.57 5.65 -1.26 -5.16 115.29 112.62 2khn s HIS 8 Ca -0.20 1.07 0.05 0.00 0.25 0.00 0.00 55.06 56.24 2khn s HIS 8 Cb 0.06 0.26 -0.03 0.00 -1.18 0.00 0.00 32.58 31.69 2khn s HIS 8 CO 0.29 -0.97 0.22 -1.12 -0.65 0.00 0.00 174.74 172.50 2khn s SER 9 N 2.75 1.59 0.25 9.88 0.01 -1.26 -5.15 113.70 121.76 2khn s SER 9 Ca 0.13 -1.66 0.02 0.00 1.31 0.00 0.00 55.95 55.75 2khn s SER 9 Cb -0.12 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.57 2khn s SER 9 CO -0.24 -0.98 0.41 -1.00 0.41 0.00 0.00 173.24 171.83 2khn s HIS 10 N -3.54 3.48 0.32 2.43 0.09 -1.26 -4.93 115.29 111.86 2khn s HIS 10 Ca 0.37 0.19 -0.09 0.00 -0.00 0.00 0.00 55.06 55.53 2khn s HIS 10 Cb 0.03 -1.74 -0.06 0.00 -0.00 0.00 0.00 32.58 30.81 2khn s HIS 10 CO 0.22 0.35 0.64 0.00 -0.00 0.00 0.00 174.74 175.95 2khn s MET 11 N -3.80 3.76 -0.12 1.40 0.00 -1.26 -2.50 119.30 116.79 2khn s MET 11 Ca 0.37 0.30 -0.20 0.00 0.00 0.00 0.00 55.69 56.15 2khn s MET 11 Cb -0.10 -2.54 0.05 0.00 0.00 0.00 0.00 34.83 32.24 2khn s MET 11 CO 0.31 0.15 0.51 0.00 0.00 0.00 0.00 175.02 175.99 2khn s ALA 12 N -2.10 -1.29 0.00 3.16 0.00 -1.26 -4.89 121.76 115.37 2khn s ALA 12 Ca 0.48 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2khn s ALA 12 Cb -0.11 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2khn s ALA 12 CO 0.27 -0.28 0.00 1.04 0.00 0.00 0.00 175.76 176.79 2khn n GLN 13 N 2.02 0.00 -4.12 0.00 1.13 -1.26 -4.90 117.38 110.25 2khn n GLN 13 Ca -0.17 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.75 2khn n GLN 13 Cb 0.56 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.78 2khn n GLN 13 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2khn s PHE 14 N 0.00 0.51 0.67 1.08 0.08 -1.26 -5.15 117.98 113.91 2khn s PHE 14 Ca 0.00 -0.20 -0.17 0.00 0.12 0.00 0.00 56.93 56.68 2khn s PHE 14 Cb 0.00 -0.32 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 2khn s PHE 14 CO 0.00 -0.03 1.21 -2.14 -0.10 0.00 0.00 175.22 174.16 2khn s PRO 15 N -0.52 2.52 0.03 0.24 0.02 -1.26 -5.00 135.00 131.03 2khn s PRO 15 Ca -0.01 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.80 2khn s PRO 15 Cb -0.04 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2khn s PRO 15 CO -0.00 -1.55 0.00 2.41 -0.33 0.00 0.00 177.00 177.53 2khn n THR 16 N -2.21 0.19 -1.24 0.99 -1.04 -1.26 -4.91 114.28 104.80 2khn n THR 16 Ca 0.14 0.06 -0.31 0.00 -2.04 0.00 0.00 64.05 61.90 2khn n THR 16 Cb 0.50 -1.26 0.10 0.00 -1.82 0.00 0.00 70.33 67.84 2khn n THR 16 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2khn s PRO 17 N -2.00 2.19 0.32 -2.82 0.04 -1.26 -4.89 135.00 126.58 2khn s PRO 17 Ca 0.00 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.26 2khn s PRO 17 Cb 0.00 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2khn s PRO 17 CO 0.00 -1.69 0.24 -0.59 0.04 0.00 0.00 177.00 175.00 2khn s PHE 18 N -2.90 1.69 -5.00 0.56 -0.71 -1.26 -4.58 117.98 105.78 2khn s PHE 18 Ca 0.61 -1.59 0.00 0.00 -1.04 0.00 0.00 56.93 54.91 2khn s PHE 18 Cb -0.17 -0.74 0.00 0.00 -1.21 0.00 0.00 43.02 40.89 2khn s PHE 18 CO 0.56 -0.78 0.00 0.41 -1.34 0.00 0.00 175.22 174.07 2khn n GLY 19 N -0.61 0.75 3.54 1.99 0.00 -1.26 -5.00 105.19 104.60 2khn n GLY 19 Ca 0.05 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 2khn n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2khn s GLY 20 N 0.00 1.22 0.34 -0.02 0.00 -1.26 -4.99 107.32 102.61 2khn s GLY 20 Ca 0.00 -2.03 0.02 0.00 0.00 0.00 0.00 44.72 42.71 2khn s GLY 20 CO 0.00 2.58 0.52 -1.35 0.00 0.00 0.00 173.10 174.85 2khn s SER 21 N 4.43 6.21 0.12 1.64 1.04 -1.26 -5.00 113.70 120.88 2khn s SER 21 Ca 0.40 0.30 0.09 0.00 0.48 0.00 0.00 55.95 57.22 2khn s SER 21 Cb -0.04 -1.86 -0.17 0.00 0.10 0.00 0.00 66.02 64.05 2khn s SER 21 CO -0.02 -0.31 1.20 0.25 0.98 0.00 0.00 173.24 175.34 2khn h LEU 22 N 0.80 0.00 -8.27 2.42 6.46 -2.05 -3.43 115.31 111.24 2khn h LEU 22 Ca -0.49 0.00 -0.50 0.00 -0.12 0.00 0.00 57.88 56.77 2khn h LEU 22 Cb 1.23 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.09 2khn h LEU 22 CO 0.60 0.91 1.19 -1.81 -0.62 0.00 0.00 178.44 178.71 2khn s ASP 23 N -6.55 5.90 0.27 1.25 1.01 -1.26 -4.75 116.67 112.53 2khn s ASP 23 Ca 0.01 -0.69 0.13 0.00 0.71 0.00 0.00 52.55 52.71 2khn s ASP 23 Cb 0.09 -2.56 0.27 0.00 1.01 0.00 0.00 42.92 41.73 2khn s ASP 23 CO 0.81 -2.02 1.54 0.74 0.21 0.00 0.00 175.17 176.45 2khn h THR 24 N 6.70 1.22 -0.35 -1.27 2.02 -2.04 -3.11 112.91 116.08 2khn h THR 24 Ca -0.04 -2.26 -0.11 0.00 0.77 0.00 0.00 66.41 64.78 2khn h THR 24 Cb 1.05 2.30 -0.06 0.00 -1.74 0.00 0.00 68.15 69.69 2khn h THR 24 CO 1.30 0.60 0.13 0.79 0.37 0.00 0.00 175.52 178.72 2khn n TRP 25 N -3.50 1.16 -3.94 3.16 7.02 -1.26 -4.83 117.44 115.25 2khn n TRP 25 Ca 0.00 -0.68 -0.27 0.00 -1.02 0.00 0.00 57.50 55.53 2khn n TRP 25 Cb 0.68 -0.42 -0.03 0.00 -2.42 0.00 0.00 31.31 29.13 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 -1.68 3.97 -1.07 6.99 0.00 -1.18 -3.69 121.76 125.10 2khn s ALA 26 Ca 0.26 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 2khn s ALA 26 Cb 0.20 -1.79 0.20 0.00 0.00 0.00 0.00 23.12 21.74 2khn s ALA 26 CO 0.06 0.56 1.18 0.42 0.00 0.00 0.00 175.76 177.99 2khn s ILE 27 N -1.72 5.36 0.79 0.00 1.01 -1.26 -4.97 121.20 120.41 2khn s ILE 27 Ca 0.35 -2.67 -0.13 0.00 0.00 0.00 0.00 60.65 58.20 2khn s ILE 27 Cb -0.11 -4.73 0.19 0.00 0.01 0.00 0.00 42.46 37.82 2khn s ILE 27 CO 0.28 -1.38 0.90 0.41 0.00 0.00 0.00 174.94 175.15 2khn n THR 28 N 4.09 0.00 -0.15 2.92 -1.04 -1.26 -4.53 114.28 114.31 2khn n THR 28 Ca 0.27 -0.56 -0.03 0.00 -2.04 0.00 0.00 64.05 61.69 2khn n THR 28 Cb 0.43 -1.44 0.05 0.00 -1.82 0.00 0.00 70.33 67.56 2khn n THR 28 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2khn h VAL 29 N -1.92 0.79 -0.11 12.58 3.04 -1.90 0.49 116.25 129.21 2khn h VAL 29 Ca -0.31 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.28 2khn h VAL 29 Cb 0.89 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 30.66 2khn h VAL 29 CO 0.21 0.05 0.04 -0.08 -1.01 0.00 0.00 177.57 176.78 2khn h GLU 30 N 0.27 0.17 -0.12 4.17 4.81 -1.98 0.29 114.58 122.19 2khn h GLU 30 Ca 0.23 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2khn h GLU 30 Cb 0.27 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2khn h GLU 30 CO -0.27 0.31 -0.08 0.93 -0.73 0.00 0.00 179.01 179.17 2khn h GLU 31 N -0.01 -0.08 -0.60 1.92 4.39 -1.79 -1.78 114.58 116.64 2khn h GLU 31 Ca 0.04 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 2khn h GLU 31 Cb 0.21 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2khn h GLU 31 CO -0.00 -0.06 0.13 -0.09 -1.16 0.00 0.00 179.01 177.84 2khn h ARG 32 N -0.09 0.96 -0.07 2.33 9.65 0.17 -2.48 114.38 124.85 2khn h ARG 32 Ca 0.08 -0.24 -0.05 0.00 -1.10 0.00 0.00 59.98 58.67 2khn h ARG 32 Cb 0.20 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2khn h ARG 32 CO -0.18 0.89 -0.18 0.00 2.80 0.00 0.00 179.97 183.30 2khn h ALA 33 N 1.03 1.56 -0.14 2.80 0.00 -0.20 -2.68 119.26 121.63 2khn h ALA 33 Ca 0.19 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2khn h ALA 33 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2khn h ALA 33 CO 0.00 0.32 0.15 0.87 0.00 0.00 0.00 179.25 180.60 2khn h LYS 34 N 0.11 0.00 -0.74 0.00 1.79 -0.83 -1.65 116.57 115.25 2khn h LYS 34 Ca 0.02 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.59 2khn h LYS 34 Cb 0.40 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.00 2khn h LYS 34 CO 0.03 0.00 0.49 1.12 -1.08 0.00 0.00 179.45 180.00 2khn h HIS 35 N 0.00 0.69 0.01 -1.35 2.07 -1.57 -0.82 115.15 114.17 2khn h HIS 35 Ca 0.07 0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.61 2khn h HIS 35 Cb 0.38 -0.22 0.00 0.00 2.57 0.00 0.00 27.41 30.13 2khn h HIS 35 CO 0.00 0.33 -0.00 0.22 -3.07 0.00 0.00 177.93 175.40 2khn h ASP 36 N 0.65 -0.01 -0.07 3.10 1.82 -1.51 0.42 116.42 120.82 2khn h ASP 36 Ca 0.34 -0.34 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2khn h ASP 36 Cb 0.46 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.47 2khn h ASP 36 CO -0.12 0.34 0.03 -0.61 -1.61 0.00 0.00 179.24 177.27 2khn h GLN 37 N -0.36 0.11 -0.23 0.28 4.15 -1.55 -2.51 115.11 115.00 2khn h GLN 37 Ca -0.00 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 2khn h GLN 37 Cb 0.35 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 2khn h GLN 37 CO 0.00 0.21 -0.32 1.96 -1.93 0.00 0.00 178.83 178.75 2khn h GLN 38 N -0.01 0.48 -0.71 1.69 1.08 -1.19 -2.42 115.11 114.03 2khn h GLN 38 Ca 0.03 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 56.96 2khn h GLN 38 Cb 0.13 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2khn h GLN 38 CO -0.00 0.75 0.21 0.35 -0.95 0.00 0.00 178.83 179.18 2khn h PHE 39 N 0.41 1.16 -0.49 2.96 3.57 -0.80 0.14 116.94 123.90 2khn h PHE 39 Ca 0.05 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.32 2khn h PHE 39 Cb 0.76 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2khn h PHE 39 CO 0.03 0.93 -0.11 1.25 -2.23 0.00 0.00 178.31 178.17 2khn h HIS 40 N 1.06 1.00 0.00 0.41 2.76 -1.24 -2.56 115.15 116.58 2khn h HIS 40 Ca 0.23 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2khn h HIS 40 Cb 0.32 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2khn h HIS 40 CO 0.03 0.96 0.00 1.03 -1.30 0.00 0.00 177.93 178.64 2khn h SER 41 N 0.81 0.00 0.46 3.26 0.87 -1.02 -3.09 113.55 114.84 2khn h SER 41 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2khn h SER 41 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2khn h SER 41 CO 0.04 0.00 0.00 0.25 -0.53 0.00 0.00 176.83 176.59 2khn h LEU 42 N 0.00 0.00 -2.53 2.23 7.12 -0.29 -3.47 115.31 118.37 2khn h LEU 42 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2khn h LEU 42 Cb 0.75 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 2khn h LEU 42 CO 0.00 0.00 -0.09 1.17 -0.13 0.00 0.00 178.44 179.39 2khn n LYS 43 N -2.75 -1.14 -1.73 1.25 0.00 -1.17 -4.93 118.16 107.70 2khn n LYS 43 Ca -0.01 1.33 -0.42 0.00 0.00 0.00 0.00 58.31 59.22 2khn n LYS 43 Cb 0.17 -4.55 -0.01 0.00 0.00 0.00 0.00 35.03 30.64 2khn n LYS 43 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2khn n PRO 44 N -1.25 2.41 -3.01 1.64 -0.02 -1.26 -4.94 135.00 128.56 2khn n PRO 44 Ca 0.02 0.85 -0.44 0.00 -2.02 0.00 0.00 63.50 61.91 2khn n PRO 44 Cb 0.46 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 2khn n PRO 44 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2khn s ILE 45 N -0.83 4.88 -1.92 4.25 1.01 0.31 -4.38 121.20 124.52 2khn s ILE 45 Ca 0.57 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.57 2khn s ILE 45 Cb -0.53 -4.70 0.00 0.00 0.01 0.00 0.00 42.46 37.24 2khn s ILE 45 CO 0.59 -1.39 0.00 -1.20 0.00 0.00 0.00 174.94 172.94 2khn n SER 46 N 6.10 -5.50 0.00 3.58 7.64 -1.26 -2.39 113.62 121.80 2khn n SER 46 Ca 0.19 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.34 2khn n SER 46 Cb 0.48 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 2khn n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2khn n GLY 47 N -0.75 1.88 3.40 0.23 0.00 -1.26 -5.10 105.19 103.59 2khn n GLY 47 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.02 1.81 0.37 1.61 -0.12 -1.00 -4.98 117.98 113.64 2khn s PHE 48 Ca 0.00 -1.02 0.01 0.00 -0.05 0.00 0.00 56.93 55.87 2khn s PHE 48 Cb 0.00 -1.14 -0.00 0.00 -0.63 0.00 0.00 43.02 41.24 2khn s PHE 48 CO 0.00 -0.09 0.04 0.44 -0.05 0.00 0.00 175.22 175.56 2khn n ILE 49 N -0.60 0.00 -3.82 -4.49 -0.00 -1.26 0.11 119.36 109.30 2khn n ILE 49 Ca -0.02 -1.86 -0.08 0.00 -0.00 0.00 0.00 62.75 60.80 2khn n ILE 49 Cb 0.66 0.47 0.02 0.00 -0.00 0.00 0.00 39.64 40.79 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 -2.53 0.00 0.29 7.28 -1.32 -1.23 -4.75 115.64 113.37 2khn s THR 50 Ca 0.06 -0.92 0.02 0.00 -1.21 0.00 0.00 61.69 59.63 2khn s THR 50 Cb 0.00 -2.78 0.29 0.00 -1.51 0.00 0.00 72.50 68.50 2khn s THR 50 CO 0.04 0.00 1.84 1.23 -2.21 0.00 0.00 174.62 175.52 2khn h GLY 51 N 2.00 1.59 1.08 6.08 0.00 -1.62 0.89 103.07 113.09 2khn h GLY 51 Ca -0.30 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.54 2khn h GLY 51 CO 0.38 0.16 0.15 -1.80 0.00 0.00 0.00 176.54 175.43 2khn h ASP 52 N 0.97 1.08 0.34 0.19 3.58 -1.94 0.06 116.42 120.69 2khn h ASP 52 Ca 0.49 -0.24 -0.16 0.00 0.42 0.00 0.00 57.03 57.53 2khn h ASP 52 Cb 0.49 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2khn h ASP 52 CO -0.25 1.05 -0.65 1.56 -2.88 0.00 0.00 179.24 178.06 2khn h GLN 53 N 1.07 0.29 0.57 0.28 1.08 -1.67 -2.46 115.11 114.26 2khn h GLN 53 Ca 0.22 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2khn h GLN 53 Cb 0.40 0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.88 2khn h GLN 53 CO 0.01 0.84 -0.27 0.00 -0.95 0.00 0.00 178.83 178.46 2khn h ALA 54 N 1.10 -0.76 -0.94 3.87 0.00 -0.34 -0.97 119.26 121.23 2khn h ALA 54 Ca -0.01 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2khn h ALA 54 Cb 1.19 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2khn h ALA 54 CO 0.10 -0.91 0.62 0.07 0.00 0.00 0.00 179.25 179.13 2khn h ARG 55 N -0.79 1.19 0.22 0.00 0.11 -1.02 -0.31 114.38 113.78 2khn h ARG 55 Ca -0.08 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 59.92 2khn h ARG 55 Cb 0.60 -0.27 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2khn h ARG 55 CO 0.13 0.79 -0.11 -0.97 0.10 0.00 0.00 179.97 179.91 2khn h ASN 56 N 1.23 -0.25 -0.13 0.08 -1.24 -1.35 -1.11 115.58 112.81 2khn h ASN 56 Ca 0.36 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 2khn h ASN 56 Cb -0.07 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 2khn h ASN 56 CO -0.10 0.10 0.02 0.15 -1.29 0.00 0.00 177.43 176.32 2khn h PHE 57 N -0.64 0.23 -0.82 0.67 3.04 -1.07 -0.44 116.94 117.91 2khn h PHE 57 Ca -0.03 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.91 2khn h PHE 57 Cb 0.46 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.86 2khn h PHE 57 CO 0.03 0.39 0.54 0.74 -2.02 0.00 0.00 178.31 177.99 2khn h PHE 58 N -0.00 1.01 -0.67 0.41 -1.00 -1.12 -0.97 116.94 114.60 2khn h PHE 58 Ca 0.04 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 2khn h PHE 58 Cb 0.28 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.48 2khn h PHE 58 CO 0.01 0.61 0.22 0.35 -1.61 0.00 0.00 178.31 177.89 2khn h PHE 59 N 1.07 1.07 0.00 -0.55 3.57 -1.03 -2.20 116.94 118.86 2khn h PHE 59 Ca 0.32 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2khn h PHE 59 Cb -0.05 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.38 2khn h PHE 59 CO -0.02 0.86 0.00 0.94 -2.23 0.00 0.00 178.31 177.86 2khn n GLN 60 N -4.34 0.35 0.00 1.11 7.27 -0.19 -1.76 117.38 119.82 2khn n GLN 60 Ca 0.05 0.07 0.14 0.00 0.07 0.00 0.00 57.00 57.32 2khn n GLN 60 Cb 0.21 -1.50 0.53 0.00 2.41 0.00 0.00 30.24 31.89 2khn n GLN 60 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2khn n SER 61 N -1.26 0.29 -0.17 1.69 7.64 -0.45 -4.92 113.62 116.43 2khn n SER 61 Ca 0.11 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2khn n SER 61 Cb 0.17 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2khn n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2khn n GLY 62 N 1.42 1.00 3.13 0.23 0.00 -0.73 -5.07 105.19 105.17 2khn n GLY 62 Ca 0.09 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.34 2.11 0.75 0.99 1.43 -1.24 -5.04 118.68 117.35 2khn s LEU 63 Ca 0.00 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2khn s LEU 63 Cb 0.00 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 45.61 2khn s LEU 63 CO 0.00 0.09 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 2khn s PRO 64 N -0.82 2.45 0.16 1.29 0.04 -1.26 -4.53 135.00 132.34 2khn s PRO 64 Ca 0.03 0.66 -0.20 0.00 0.04 0.00 0.00 61.00 61.53 2khn s PRO 64 Cb -0.07 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.58 2khn s PRO 64 CO 0.01 -1.37 1.64 1.96 0.04 0.00 0.00 177.00 179.27 2khn h GLN 65 N -0.91 -0.15 -0.84 4.56 7.50 -1.99 -0.48 115.11 122.81 2khn h GLN 65 Ca -0.46 0.01 0.14 0.00 0.50 0.00 0.00 58.65 58.84 2khn h GLN 65 Cb 1.25 0.03 -0.06 0.00 0.05 0.00 0.00 27.48 28.75 2khn h GLN 65 CO 0.60 -0.10 0.55 -1.35 -1.50 0.00 0.00 178.83 177.02 2khn h PRO 66 N -0.16 0.61 -0.19 1.46 0.11 -1.99 0.17 132.00 132.02 2khn h PRO 66 Ca 0.17 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.08 2khn h PRO 66 Cb 0.42 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.40 2khn h PRO 66 CO -0.43 0.40 -0.54 0.28 -0.21 0.00 0.00 178.00 177.50 2khn h VAL 67 N 0.63 1.31 0.14 3.15 2.07 -1.62 -2.28 116.25 119.65 2khn h VAL 67 Ca 0.41 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2khn h VAL 67 Cb 0.71 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2khn h VAL 67 CO -0.17 0.56 -0.07 -0.07 0.02 0.00 0.00 177.57 177.84 2khn h LEU 68 N 0.39 -0.16 -1.13 2.57 3.38 0.12 -1.72 115.31 118.77 2khn h LEU 68 Ca -0.01 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2khn h LEU 68 Cb 1.16 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 2khn h LEU 68 CO 0.12 -0.06 0.60 0.00 0.09 0.00 0.00 178.44 179.19 2khn h ALA 69 N 0.61 1.46 -0.74 1.53 0.00 -0.77 0.92 119.26 122.27 2khn h ALA 69 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2khn h ALA 69 Cb 0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2khn h ALA 69 CO 0.03 0.43 0.22 0.37 0.00 0.00 0.00 179.25 180.30 2khn h GLN 70 N 1.10 1.16 -0.25 0.00 5.75 -1.12 0.24 115.11 121.99 2khn h GLN 70 Ca 0.38 -0.26 -0.08 0.00 -0.15 0.00 0.00 58.65 58.54 2khn h GLN 70 Cb 0.10 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2khn h GLN 70 CO -0.13 1.00 -0.14 0.82 -2.65 0.00 0.00 178.83 177.73 2khn h ILE 71 N 1.11 1.30 -0.56 2.39 2.04 -0.47 -2.99 117.51 120.34 2khn h ILE 71 Ca 0.24 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 2khn h ILE 71 Cb 0.33 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2khn h ILE 71 CO -0.00 0.38 0.18 -0.25 0.00 0.00 0.00 178.15 178.46 2khn h TRP 72 N 0.26 0.89 0.00 1.37 7.01 -0.56 0.61 115.95 125.53 2khn h TRP 72 Ca 0.05 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2khn h TRP 72 Cb 0.65 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 2khn h TRP 72 CO 0.06 0.75 0.00 0.00 -2.79 0.00 0.00 178.44 176.46 2khn n ALA 73 N -2.38 1.55 -0.09 2.65 0.00 0.82 -2.61 120.51 120.45 2khn n ALA 73 Ca 0.03 0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 2khn n ALA 73 Cb 0.20 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.21 2khn n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2khn n LEU 74 N -1.95 2.46 0.04 0.00 4.77 -0.64 -4.69 117.00 116.99 2khn n LEU 74 Ca 0.02 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 2khn n LEU 74 Cb 0.17 -0.74 -0.01 0.00 -2.33 0.00 0.00 43.42 40.51 2khn n LEU 74 CO 0.15 0.84 0.43 0.00 -1.33 0.00 0.00 177.39 177.49 2khn h ALA 75 N 0.18 -0.88 -1.48 -1.18 0.00 -0.66 -3.28 119.26 111.97 2khn h ALA 75 Ca -0.53 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 53.75 2khn h ALA 75 Cb 1.98 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.69 2khn h ALA 75 CO -0.03 -0.87 0.99 0.16 0.00 0.00 0.00 179.25 179.50 2khn s ASP 76 N -2.33 6.34 0.47 0.00 -4.77 -1.24 -4.84 116.67 110.30 2khn s ASP 76 Ca -0.01 -1.14 0.22 0.00 -3.30 0.00 0.00 52.55 48.31 2khn s ASP 76 Cb 0.00 -2.50 1.24 0.00 -1.09 0.00 0.00 42.92 40.57 2khn s ASP 76 CO 0.04 -1.51 1.91 0.24 0.70 0.00 0.00 175.17 176.56 2khn h MET 77 N 9.63 0.22 0.00 2.11 2.86 -1.84 0.93 114.93 128.84 2khn h MET 77 Ca -0.08 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2khn h MET 77 Cb 1.04 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.65 2khn h MET 77 CO 1.26 0.15 0.00 -1.71 1.06 0.00 0.00 176.91 177.67 2khn n ASN 78 N -4.42 0.31 -3.31 1.22 5.15 -1.26 -4.95 115.26 108.00 2khn n ASN 78 Ca 0.16 0.54 -0.21 0.00 -0.60 0.00 0.00 54.58 54.47 2khn n ASN 78 Cb 0.70 -0.62 0.02 0.00 -0.53 0.00 0.00 39.78 39.35 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 -1.80 -6.44 -0.00 1.20 2.85 0.32 -4.94 115.26 106.45 2khn n ASN 79 Ca 0.06 -0.12 0.01 0.00 -0.11 0.00 0.00 54.58 54.42 2khn n ASN 79 Cb 0.34 -3.33 -0.11 0.00 1.24 0.00 0.00 39.78 37.92 2khn n ASN 79 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2khn n ASP 80 N -1.01 0.46 0.00 1.20 2.03 -1.26 -4.99 116.55 112.99 2khn n ASP 80 Ca -0.06 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2khn n ASP 80 Cb 0.59 0.80 0.00 0.00 -0.72 0.00 0.00 41.12 41.80 2khn n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2khn n GLY 81 N 1.43 1.40 1.09 0.27 0.00 -1.26 -4.99 105.19 103.13 2khn n GLY 81 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.01 0.00 -3.56 1.61 1.85 -1.26 -2.72 116.66 111.57 2khn n ARG 82 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 2khn n ARG 82 Cb 0.18 -0.44 0.02 0.00 -1.05 0.00 0.00 32.46 31.17 2khn n ARG 82 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2khn n MET 83 N -2.77 -1.75 -0.90 2.89 0.00 -1.26 -3.57 117.12 109.75 2khn n MET 83 Ca 0.00 1.19 -0.20 0.00 0.00 0.00 0.00 57.70 58.68 2khn n MET 83 Cb 0.36 -2.67 0.16 0.00 0.00 0.00 0.00 33.22 31.07 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 -1.38 -1.19 -0.34 3.17 2.03 -1.26 -4.09 116.55 113.50 2khn n ASP 84 Ca -0.17 -1.07 0.15 0.00 0.52 0.00 0.00 54.79 54.21 2khn n ASP 84 Cb 0.66 -0.69 0.36 0.00 -0.72 0.00 0.00 41.12 40.73 2khn n ASP 84 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2khn h GLN 85 N 0.00 0.67 -0.05 -0.67 7.50 -1.94 0.77 115.11 121.40 2khn h GLN 85 Ca -0.29 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 58.80 2khn h GLN 85 Cb 0.85 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 28.22 2khn h GLN 85 CO 0.19 0.45 -0.07 0.28 -1.50 0.00 0.00 178.83 178.18 2khn h VAL 86 N 0.69 1.40 -0.04 -0.54 2.07 -1.99 -1.08 116.25 116.76 2khn h VAL 86 Ca 0.58 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 2khn h VAL 86 Cb 0.99 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2khn h VAL 86 CO -0.37 0.35 -0.28 -0.33 0.02 0.00 0.00 177.57 176.96 2khn h GLU 87 N -0.35 0.08 0.00 1.57 3.07 -1.44 -1.93 114.58 115.57 2khn h GLU 87 Ca 0.01 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.72 2khn h GLU 87 Cb 0.61 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2khn h GLU 87 CO 0.02 0.36 -0.56 0.35 -1.40 0.00 0.00 179.01 177.78 2khn h PHE 88 N 0.07 0.00 0.00 4.33 3.57 0.52 -3.08 116.94 122.35 2khn h PHE 88 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2khn h PHE 88 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2khn h PHE 88 CO 0.00 0.56 0.00 0.43 -2.23 0.00 0.00 178.31 177.07 2khn n SER 89 N -3.67 0.00 -0.01 0.41 7.64 -0.42 -1.48 113.62 116.10 2khn n SER 89 Ca -0.01 0.33 0.04 0.00 1.01 0.00 0.00 58.87 60.25 2khn n SER 89 Cb 0.60 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.33 2khn n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2khn n ILE 90 N -1.40 0.06 0.07 0.44 3.06 -1.17 -4.70 119.36 115.72 2khn n ILE 90 Ca 0.04 -0.24 -0.14 0.00 -2.50 0.00 0.00 62.75 59.90 2khn n ILE 90 Cb 0.10 0.18 -0.06 0.00 0.54 0.00 0.00 39.64 40.40 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 0.87 0.31 0.00 1.51 0.00 -1.20 -3.25 119.26 117.51 2khn h ALA 91 Ca -0.02 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 2khn h ALA 91 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2khn h ALA 91 CO 0.00 0.81 -0.14 0.00 0.00 0.00 0.00 179.25 179.92 2khn h MET 92 N 0.24 0.00 -0.39 0.00 -0.00 -1.79 -2.61 114.93 110.39 2khn h MET 92 Ca -0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.47 2khn h MET 92 Cb 1.62 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.21 2khn h MET 92 CO 0.17 0.14 -0.33 -0.22 -0.00 0.00 0.00 176.91 176.67 2khn h LYS 93 N 0.00 0.87 -0.59 -0.10 3.64 -1.85 -2.59 116.57 115.95 2khn h LYS 93 Ca -0.00 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 58.88 2khn h LYS 93 Cb 0.73 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2khn h LYS 93 CO 0.02 1.06 0.04 1.25 -2.27 0.00 0.00 179.45 179.56 2khn h LEU 94 N 0.73 0.98 -0.35 5.20 5.85 -1.57 -2.27 115.31 123.88 2khn h LEU 94 Ca 0.07 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.54 2khn h LEU 94 Cb 0.89 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2khn h LEU 94 CO 0.08 1.02 0.16 0.40 -0.34 0.00 0.00 178.44 179.76 2khn h ILE 95 N 0.91 0.96 -0.89 4.05 2.04 -1.46 0.41 117.51 123.52 2khn h ILE 95 Ca 0.17 -0.11 0.10 0.00 1.00 0.00 0.00 64.86 66.02 2khn h ILE 95 Cb 0.49 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 2khn h ILE 95 CO 0.02 0.06 0.53 0.50 0.00 0.00 0.00 178.15 179.27 2khn h LYS 96 N 0.33 0.87 0.07 2.37 3.64 -1.12 -0.42 116.57 122.31 2khn h LYS 96 Ca 0.15 -0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 59.17 2khn h LYS 96 Cb 0.08 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2khn h LYS 96 CO -0.12 0.57 -1.61 1.25 -2.27 0.00 0.00 179.45 177.27 2khn h LEU 97 N 0.89 0.25 -0.96 5.20 5.85 -0.96 -3.33 115.31 122.25 2khn h LEU 97 Ca 0.42 -0.41 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 2khn h LEU 97 Cb 0.36 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2khn h LEU 97 CO -0.24 1.35 -0.44 0.11 -0.34 0.00 0.00 178.44 178.87 2khn h LYS 98 N 0.04 0.00 0.00 1.25 1.57 0.06 -1.52 116.57 117.98 2khn h LYS 98 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2khn h LYS 98 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.31 2khn h LYS 98 CO 0.12 0.44 0.00 1.28 -0.57 0.00 0.00 179.45 180.73 2khn n LEU 99 N -3.70 0.32 -0.19 2.94 4.77 -0.19 -0.51 117.00 120.45 2khn n LEU 99 Ca -0.01 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 2khn n LEU 99 Cb 0.52 -0.58 0.43 0.00 -2.33 0.00 0.00 43.42 41.46 2khn n LEU 99 CO 0.38 -0.51 0.70 1.67 -1.33 0.00 0.00 177.39 178.31 2khn n GLN 100 N -1.88 0.71 -0.40 3.23 -0.06 -0.57 -4.93 117.38 113.48 2khn n GLN 100 Ca 0.02 -0.38 0.00 0.00 -2.00 0.00 0.00 57.00 54.64 2khn n GLN 100 Cb 0.14 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.83 2khn n GLN 100 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2khn n GLY 101 N 1.34 0.51 3.52 1.69 0.00 0.34 -5.12 105.19 107.47 2khn n GLY 101 Ca 0.12 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.43 2.39 0.04 1.61 1.51 -1.15 -5.02 117.35 115.30 2khn s TYR 102 Ca 0.00 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 2khn s TYR 102 Cb 0.00 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.70 2khn s TYR 102 CO 0.00 0.67 -0.08 -0.65 -1.11 0.00 0.00 175.55 174.38 2khn s GLN 103 N -3.57 0.54 -0.14 -0.62 -1.52 -1.26 -4.63 119.66 108.46 2khn s GLN 103 Ca 0.31 -0.78 -0.18 0.00 -1.95 0.00 0.00 55.36 52.76 2khn s GLN 103 Cb -0.04 -0.27 0.05 0.00 -0.22 0.00 0.00 33.01 32.53 2khn s GLN 103 CO 0.16 0.04 0.48 -1.17 -0.25 0.00 0.00 175.29 174.56 2khn s LEU 104 N -1.65 0.17 0.00 2.90 2.96 -1.26 -5.13 118.68 116.67 2khn s LEU 104 Ca -0.09 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 2khn s LEU 104 Cb -0.09 1.70 0.00 0.00 0.50 0.00 0.00 46.19 48.30 2khn s LEU 104 CO 0.00 -0.26 0.00 -2.65 -1.32 0.00 0.00 176.35 172.12 2khn n PRO 105 N 2.37 0.52 0.00 0.98 -0.02 -1.26 -4.92 135.00 132.67 2khn n PRO 105 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2khn n PRO 105 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 2khn n PRO 105 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2khn n SER 106 N -1.80 0.46 -4.20 2.55 7.64 -1.26 -4.49 113.62 112.52 2khn n SER 106 Ca 0.00 -1.99 -0.41 0.00 1.01 0.00 0.00 58.87 57.48 2khn n SER 106 Cb 0.00 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 62.91 2khn n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2khn s ALA 107 N -1.54 3.79 0.44 -0.43 0.00 -1.26 -4.98 121.76 117.78 2khn s ALA 107 Ca 0.00 -3.26 -0.24 0.00 0.00 0.00 0.00 51.96 48.45 2khn s ALA 107 Cb 0.00 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 2khn s ALA 107 CO 0.00 -2.17 1.23 -0.51 0.00 0.00 0.00 175.76 174.31 2khn s LEU 108 N 0.08 4.11 0.68 0.00 1.43 -1.26 -5.01 118.68 118.71 2khn s LEU 108 Ca 0.17 2.48 -0.16 0.00 -1.03 0.00 0.00 54.13 55.58 2khn s LEU 108 Cb -0.16 -4.08 0.01 0.00 0.03 0.00 0.00 46.19 41.99 2khn s LEU 108 CO -0.06 -0.91 1.23 -2.84 0.23 0.00 0.00 176.35 174.00 2khn s PRO 109 N -2.47 2.42 0.62 1.29 0.02 -1.26 -4.85 135.00 130.77 2khn s PRO 109 Ca 0.61 1.84 0.39 0.00 0.02 0.00 0.00 61.00 63.86 2khn s PRO 109 Cb -0.33 -1.86 2.04 0.00 0.02 0.00 0.00 34.50 34.36 2khn s PRO 109 CO 0.42 -1.64 2.24 -1.35 -0.33 0.00 0.00 177.00 176.34 2khn h PRO 110 N 0.15 0.00 0.03 5.54 0.11 -1.94 -2.35 132.00 133.54 2khn h PRO 110 Ca -0.49 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.33 2khn h PRO 110 Cb 1.31 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 2khn h PRO 110 CO 0.52 0.01 -1.66 0.28 -0.21 0.00 0.00 178.00 176.94 2khn h VAL 111 N 0.00 0.93 -0.05 3.15 2.07 -1.90 -2.51 116.25 117.94 2khn h VAL 111 Ca -0.00 -2.74 -0.12 0.00 0.82 0.00 0.00 66.70 64.66 2khn h VAL 111 Cb 0.16 2.50 0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2khn h VAL 111 CO 0.00 0.61 -0.45 0.24 0.02 0.00 0.00 177.57 177.99 2khn h MET 112 N 0.01 0.39 0.00 1.57 2.86 -1.51 -3.18 114.93 115.07 2khn h MET 112 Ca -0.27 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 2khn h MET 112 Cb 1.99 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.74 2khn h MET 112 CO 0.09 1.01 0.00 0.36 1.06 0.00 0.00 176.91 179.44 2khn n LYS 113 N -4.31 0.15 -0.72 1.72 2.85 -0.93 -4.95 118.16 111.97 2khn n LYS 113 Ca -0.09 0.16 0.10 0.00 -1.05 0.00 0.00 58.31 57.42 2khn n LYS 113 Cb 0.58 -1.68 -0.02 0.00 -0.65 0.00 0.00 35.03 33.26 2khn n LYS 113 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2khn n GLN 114 N -1.94 -1.45 -3.63 -1.58 6.02 -0.95 -4.06 117.38 109.79 2khn n GLN 114 Ca 0.06 0.95 -0.10 0.00 -0.01 0.00 0.00 57.00 57.90 2khn n GLN 114 Cb 0.37 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 2khn n GLN 114 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2khn s GLN 115 N -1.24 1.31 0.63 -1.09 -2.07 -1.25 -4.63 119.66 111.32 2khn s GLN 115 Ca 0.00 -0.72 -0.14 0.00 -1.82 0.00 0.00 55.36 52.68 2khn s GLN 115 Cb 0.00 0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 32.43 2khn s GLN 115 CO 0.00 -0.56 1.05 -1.25 -1.32 0.00 0.00 175.29 173.22 2khn s PRO 116 N -3.83 3.21 0.02 9.60 0.04 -1.04 -4.23 135.00 138.78 2khn s PRO 116 Ca 0.06 1.10 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 2khn s PRO 116 Cb -0.01 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2khn s PRO 116 CO -0.07 -0.89 0.41 0.54 0.04 0.00 0.00 177.00 177.03 2khn s VAL 117 N -2.69 5.03 -0.28 -0.36 0.11 -1.26 -5.06 120.40 115.90 2khn s VAL 117 Ca 0.61 0.76 0.02 0.00 -2.93 0.00 0.00 61.98 60.45 2khn s VAL 117 Cb -0.15 -3.70 0.07 0.00 -1.53 0.00 0.00 36.38 31.07 2khn s VAL 117 CO 0.43 0.50 -0.04 0.00 -3.33 0.00 0.00 175.10 172.67 2khn s ALA 118 N -1.16 2.39 0.09 1.54 0.00 -1.26 -4.96 121.76 118.40 2khn s ALA 118 Ca 0.26 -1.83 0.04 0.00 0.00 0.00 0.00 51.96 50.43 2khn s ALA 118 Cb -0.16 -1.64 -0.23 0.00 0.00 0.00 0.00 23.12 21.09 2khn s ALA 118 CO 0.15 -1.36 1.18 0.97 0.00 0.00 0.00 175.76 176.70 2khn h ILE 119 N 6.68 1.57 -2.93 0.00 2.10 -2.07 -3.46 117.51 119.40 2khn h ILE 119 Ca -0.14 -3.25 -0.14 0.00 1.08 0.00 0.00 64.86 62.40 2khn h ILE 119 Cb 1.04 2.84 -0.25 0.00 -1.09 0.00 0.00 36.82 39.36 2khn h ILE 119 CO 0.46 0.92 -0.34 -0.55 -1.08 0.00 0.00 178.15 177.56 2khn s SER 120 N -6.79 -0.35 0.00 2.19 0.15 -1.26 -5.28 113.70 102.37 2khn s SER 120 Ca -0.01 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2khn s SER 120 Cb 0.09 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2khn s SER 120 CO 0.84 -0.12 0.42 -0.24 1.20 0.00 0.00 173.24 175.33