#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 2.19 2.90 3.17 0.00 -1.26 -4.88 105.19 107.31 2khn n GLY 2 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2khn n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2khn s HIS 3 N 0.00 2.50 -0.44 1.61 0.09 -1.26 -5.07 115.29 112.73 2khn s HIS 3 Ca 0.00 -2.03 0.02 0.00 -0.00 0.00 0.00 55.06 53.05 2khn s HIS 3 Cb 0.00 -1.93 0.12 0.00 -0.00 0.00 0.00 32.58 30.77 2khn s HIS 3 CO 0.00 -0.84 0.19 -1.58 -0.00 0.00 0.00 174.74 172.51 2khn s HIS 4 N 1.35 3.53 -0.15 1.40 5.04 -1.26 -5.08 115.29 120.10 2khn s HIS 4 Ca 0.03 -2.91 -0.20 0.00 -1.54 0.00 0.00 55.06 50.44 2khn s HIS 4 Cb -0.18 -2.99 -0.03 0.00 0.04 0.00 0.00 32.58 29.41 2khn s HIS 4 CO -0.12 -0.88 0.55 -3.38 -2.34 0.00 0.00 174.74 168.57 2khn s HIS 5 N 0.49 3.45 0.00 3.88 0.00 -1.26 -4.56 115.29 117.28 2khn s HIS 5 Ca 0.13 0.91 0.00 0.00 -3.00 0.00 0.00 55.06 53.10 2khn s HIS 5 Cb -0.22 -2.68 0.00 0.00 -4.00 0.00 0.00 32.58 25.69 2khn s HIS 5 CO -0.04 0.00 0.84 1.58 -1.00 0.00 0.00 174.74 176.12 2khn n HIS 6 N 4.32 0.00 -2.03 0.38 -0.00 -1.17 -5.11 115.22 111.61 2khn n HIS 6 Ca -0.04 -0.34 -0.32 0.00 -0.00 0.00 0.00 57.72 57.01 2khn n HIS 6 Cb 0.51 0.42 0.01 0.00 -0.00 0.00 0.00 29.99 30.93 2khn n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2khn s HIS 7 N 0.00 3.14 -0.36 1.57 -0.00 -1.00 -4.55 115.29 114.09 2khn s HIS 7 Ca 0.00 1.48 0.01 0.00 -0.00 0.00 0.00 55.06 56.55 2khn s HIS 7 Cb 0.00 -2.93 0.11 0.00 -0.00 0.00 0.00 32.58 29.76 2khn s HIS 7 CO 0.00 -0.96 0.14 -3.38 -0.00 0.00 0.00 174.74 170.54 2khn s HIS 8 N -2.62 2.16 -1.22 0.38 0.00 -1.26 -4.97 115.29 107.76 2khn s HIS 8 Ca 0.61 -2.19 -0.20 0.00 -3.00 0.00 0.00 55.06 50.29 2khn s HIS 8 Cb -0.14 -1.99 0.03 0.00 -4.00 0.00 0.00 32.58 26.47 2khn s HIS 8 CO 0.39 -0.86 1.75 -1.54 -1.00 0.00 0.00 174.74 173.49 2khn s SER 9 N 1.07 6.32 -0.03 7.38 1.04 -1.26 -4.89 113.70 123.34 2khn s SER 9 Ca 0.13 -2.07 0.03 0.00 0.48 0.00 0.00 55.95 54.52 2khn s SER 9 Cb -0.20 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.34 2khn s SER 9 CO -0.14 -1.70 -0.11 -2.28 0.98 0.00 0.00 173.24 169.99 2khn s HIS 10 N 6.07 1.10 0.13 5.02 5.65 -1.26 -5.11 115.29 126.89 2khn s HIS 10 Ca 0.57 -0.28 -0.34 0.00 0.25 0.00 0.00 55.06 55.26 2khn s HIS 10 Cb 0.02 -0.76 -0.14 0.00 -1.18 0.00 0.00 32.58 30.51 2khn s HIS 10 CO 0.06 -0.10 1.56 -1.33 -0.65 0.00 0.00 174.74 174.28 2khn n MET 11 N 3.20 1.98 -3.35 2.88 0.00 -1.26 -4.94 117.12 115.64 2khn n MET 11 Ca -0.18 0.71 -0.26 0.00 0.00 0.00 0.00 57.70 57.98 2khn n MET 11 Cb 0.54 -2.47 -0.08 0.00 0.00 0.00 0.00 33.22 31.21 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 3.49 2.96 -3.51 3.04 0.00 -1.26 -5.03 120.51 120.20 2khn n ALA 12 Ca 0.18 -3.72 -0.25 0.00 0.00 0.00 0.00 53.44 49.64 2khn n ALA 12 Cb 0.27 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.20 0.21 -0.38 0.00 -0.21 -1.26 -3.99 119.66 112.84 2khn s GLN 13 Ca 0.35 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.39 2khn s GLN 13 Cb 0.12 -1.09 0.11 0.00 1.00 0.00 0.00 33.01 33.15 2khn s GLN 13 CO -0.12 -0.97 0.15 0.12 -2.12 0.00 0.00 175.29 172.35 2khn s PHE 14 N 2.18 2.36 -0.06 0.91 5.36 -1.26 -5.09 117.98 122.38 2khn s PHE 14 Ca 0.08 -2.35 -0.33 0.00 -0.96 0.00 0.00 56.93 53.38 2khn s PHE 14 Cb -0.15 -2.12 -0.10 0.00 -0.34 0.00 0.00 43.02 40.30 2khn s PHE 14 CO -0.32 -0.85 1.94 -2.30 -1.46 0.00 0.00 175.22 172.23 2khn n PRO 15 N 4.15 2.38 -3.47 10.12 -0.02 -1.26 -4.85 135.00 142.05 2khn n PRO 15 Ca 0.03 0.86 -0.28 0.00 -2.02 0.00 0.00 63.50 62.09 2khn n PRO 15 Cb 0.39 -2.79 -0.11 0.00 -0.02 0.00 0.00 33.50 30.96 2khn n PRO 15 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2khn s THR 16 N 4.50 0.43 0.74 3.45 2.01 -1.26 -5.13 115.64 120.38 2khn s THR 16 Ca 0.92 -2.26 -0.06 0.00 0.31 0.00 0.00 61.69 60.61 2khn s THR 16 Cb -0.59 -1.31 0.10 0.00 0.01 0.00 0.00 72.50 70.71 2khn s THR 16 CO 0.48 -1.08 1.04 -2.16 -0.69 0.00 0.00 174.62 172.20 2khn s PRO 17 N 0.51 1.80 -0.33 4.92 0.04 -1.26 -4.83 135.00 135.84 2khn s PRO 17 Ca 0.24 -0.59 -0.03 0.00 0.04 0.00 0.00 61.00 60.66 2khn s PRO 17 Cb -0.12 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2khn s PRO 17 CO -0.08 -1.46 0.11 1.19 0.04 0.00 0.00 177.00 176.80 2khn n PHE 18 N -2.99 -3.88 0.00 0.56 3.72 -1.26 -5.02 117.46 108.59 2khn n PHE 18 Ca 0.11 1.69 0.00 0.00 -0.05 0.00 0.00 57.45 59.21 2khn n PHE 18 Cb 0.60 -4.00 0.00 0.00 -0.94 0.00 0.00 39.48 35.15 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 0.54 -0.75 0.00 1.37 0.00 -1.26 -5.09 105.19 100.00 2khn n GLY 19 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.26 -0.94 0.15 -0.02 0.00 -1.26 -5.00 105.19 99.38 2khn n GLY 20 Ca 0.00 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 44.97 2khn n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2khn n SER 21 N 0.00 2.43 -3.67 1.61 7.64 -1.26 -4.92 113.62 115.45 2khn n SER 21 Ca 0.00 -2.79 -0.14 0.00 1.01 0.00 0.00 58.87 56.95 2khn n SER 21 Cb 0.00 -0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 62.79 2khn n SER 21 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2khn s LEU 22 N -2.37 -0.16 -1.27 -3.43 2.96 -1.26 -4.91 118.68 108.23 2khn s LEU 22 Ca 0.25 1.02 -0.00 0.00 -0.22 0.00 0.00 54.13 55.18 2khn s LEU 22 Cb 0.21 1.98 0.00 0.00 0.50 0.00 0.00 46.19 48.88 2khn s LEU 22 CO 0.03 -0.27 0.03 -0.67 -1.32 0.00 0.00 176.35 174.16 2khn n ASP 23 N 2.43 -4.56 0.17 3.68 2.03 -1.26 -4.89 116.55 114.15 2khn n ASP 23 Ca -0.15 -0.03 0.03 0.00 0.52 0.00 0.00 54.79 55.17 2khn n ASP 23 Cb 0.56 -3.68 0.26 0.00 -0.72 0.00 0.00 41.12 37.54 2khn n ASP 23 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2khn h THR 24 N -0.07 1.05 0.00 5.18 2.02 -1.91 -2.74 112.91 116.44 2khn h THR 24 Ca -0.36 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.06 2khn h THR 24 Cb 1.26 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2khn h THR 24 CO 0.42 0.45 0.00 -0.50 0.37 0.00 0.00 175.52 176.26 2khn h TRP 25 N 0.00 0.00 -3.90 3.16 4.06 -2.01 -3.44 115.95 113.82 2khn h TRP 25 Ca -0.00 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.46 2khn h TRP 25 Cb 1.00 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.17 2khn h TRP 25 CO 0.00 0.00 0.42 0.00 -3.56 0.00 0.00 178.44 175.30 2khn s ALA 26 N -3.38 3.21 -0.64 1.49 0.00 -1.03 -4.29 121.76 117.11 2khn s ALA 26 Ca 0.05 0.74 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 2khn s ALA 26 Cb 0.09 -3.28 0.17 0.00 0.00 0.00 0.00 23.12 20.10 2khn s ALA 26 CO 0.53 -0.15 0.48 0.42 0.00 0.00 0.00 175.76 177.05 2khn s ILE 27 N -1.48 4.03 0.79 0.00 1.01 -1.26 -4.95 121.20 119.34 2khn s ILE 27 Ca 0.52 -2.80 -0.06 0.00 0.00 0.00 0.00 60.65 58.31 2khn s ILE 27 Cb -0.25 -3.60 0.14 0.00 0.01 0.00 0.00 42.46 38.76 2khn s ILE 27 CO 0.32 -0.89 1.10 -0.89 0.00 0.00 0.00 174.94 174.57 2khn s THR 28 N 0.07 2.13 0.34 2.92 2.01 -1.26 -4.79 115.64 117.06 2khn s THR 28 Ca 0.16 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.87 2khn s THR 28 Cb -0.19 -2.76 0.31 0.00 0.01 0.00 0.00 72.50 69.86 2khn s THR 28 CO -0.04 0.00 1.89 0.58 -0.69 0.00 0.00 174.62 176.36 2khn h VAL 29 N -0.88 0.91 -0.27 3.82 2.07 -1.98 0.35 116.25 120.28 2khn h VAL 29 Ca -0.40 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2khn h VAL 29 Cb 1.26 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2khn h VAL 29 CO 0.43 0.14 0.16 -0.33 0.02 0.00 0.00 177.57 177.99 2khn h GLU 30 N 0.78 0.37 -0.14 1.57 3.07 -1.98 0.20 114.58 118.45 2khn h GLU 30 Ca 0.42 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 59.14 2khn h GLU 30 Cb 0.53 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 2khn h GLU 30 CO -0.18 0.30 -0.35 0.93 -1.40 0.00 0.00 179.01 178.31 2khn h GLU 31 N 0.33 0.29 -0.17 2.33 4.39 -1.50 0.49 114.58 120.74 2khn h GLU 31 Ca 0.10 -0.12 -0.15 0.00 0.34 0.00 0.00 59.36 59.52 2khn h GLU 31 Cb 0.03 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2khn h GLU 31 CO -0.02 0.61 -0.48 0.07 -1.16 0.00 0.00 179.01 178.03 2khn h ARG 32 N 0.25 0.63 -0.53 2.33 0.11 -0.10 -2.26 114.38 114.81 2khn h ARG 32 Ca 0.03 -0.45 -0.11 0.00 0.10 0.00 0.00 59.98 59.55 2khn h ARG 32 Cb 0.74 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.87 2khn h ARG 32 CO 0.06 1.07 -0.10 0.00 0.10 0.00 0.00 179.97 181.10 2khn h ALA 33 N 0.56 0.82 -0.47 0.08 0.00 -0.42 -0.83 119.26 119.00 2khn h ALA 33 Ca -0.01 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.60 2khn h ALA 33 Cb 1.10 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2khn h ALA 33 CO 0.10 0.66 0.23 -0.22 0.00 0.00 0.00 179.25 180.03 2khn h LYS 34 N 0.88 0.45 0.00 0.00 3.11 0.03 0.95 116.57 121.99 2khn h LYS 34 Ca 0.14 -0.03 -0.16 0.00 -2.81 0.00 0.00 60.65 57.80 2khn h LYS 34 Cb 0.65 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 2khn h LYS 34 CO 0.04 0.30 -0.75 1.12 -2.81 0.00 0.00 179.45 177.36 2khn h HIS 35 N 0.46 0.00 -0.40 1.91 2.07 -1.34 -2.99 115.15 114.86 2khn h HIS 35 Ca 0.21 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.71 2khn h HIS 35 Cb 0.12 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.08 2khn h HIS 35 CO -0.11 0.75 0.17 0.22 -3.07 0.00 0.00 177.93 175.89 2khn h ASP 36 N 0.00 0.54 -0.62 3.10 1.82 -0.46 0.45 116.42 121.25 2khn h ASP 36 Ca -0.01 -0.16 0.05 0.00 -0.39 0.00 0.00 57.03 56.52 2khn h ASP 36 Cb 1.47 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 41.29 2khn h ASP 36 CO 0.10 0.55 0.35 -0.61 -1.61 0.00 0.00 179.24 178.02 2khn h GLN 37 N 0.50 0.65 0.00 0.28 4.15 -0.84 -1.32 115.11 118.52 2khn h GLN 37 Ca 0.13 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.40 2khn h GLN 37 Cb 0.17 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2khn h GLN 37 CO -0.01 0.43 -0.53 1.96 -1.93 0.00 0.00 178.83 178.75 2khn h GLN 38 N 0.67 0.00 -0.36 1.69 4.20 -1.32 -2.47 115.11 117.52 2khn h GLN 38 Ca 0.27 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 2khn h GLN 38 Cb 0.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2khn h GLN 38 CO -0.15 0.53 -0.01 0.35 -0.67 0.00 0.00 178.83 178.88 2khn h PHE 39 N 0.00 0.58 -0.50 2.96 3.04 0.63 -2.24 116.94 121.41 2khn h PHE 39 Ca -0.01 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.81 2khn h PHE 39 Cb 1.07 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 2khn h PHE 39 CO 0.00 0.58 0.03 1.25 -2.02 0.00 0.00 178.31 178.15 2khn h HIS 40 N 0.54 0.86 0.00 0.41 2.76 -0.79 -2.13 115.15 116.79 2khn h HIS 40 Ca 0.11 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2khn h HIS 40 Cb 0.36 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.08 2khn h HIS 40 CO 0.01 0.78 0.00 0.77 -1.30 0.00 0.00 177.93 178.19 2khn h SER 41 N 0.77 0.00 0.89 3.26 0.02 -1.27 -2.20 113.55 115.01 2khn h SER 41 Ca 0.15 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2khn h SER 41 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 2khn h SER 41 CO 0.01 0.00 -0.08 0.25 -1.14 0.00 0.00 176.83 175.87 2khn h LEU 42 N 0.00 0.00 -2.45 5.07 6.46 -0.82 -3.48 115.31 120.09 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 0.62 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 2khn h LEU 42 CO 0.00 0.08 -0.24 0.29 -0.62 0.00 0.00 178.44 177.95 2khn n LYS 43 N -3.24 -1.57 -2.08 1.25 4.01 -0.83 -4.98 118.16 110.72 2khn n LYS 43 Ca 0.00 1.60 -0.41 0.00 -0.51 0.00 0.00 58.31 59.00 2khn n LYS 43 Cb 0.33 -4.89 -0.02 0.00 -0.51 0.00 0.00 35.03 29.94 2khn n LYS 43 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2khn s PRO 44 N -2.58 4.33 0.10 1.97 0.04 -1.26 -4.95 135.00 132.65 2khn s PRO 44 Ca 0.12 2.25 -0.28 0.00 0.04 0.00 0.00 61.00 63.13 2khn s PRO 44 Cb -0.03 -3.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.32 2khn s PRO 44 CO 0.61 -0.24 1.64 0.82 0.04 0.00 0.00 177.00 179.87 2khn h ILE 45 N 3.12 0.45 -0.20 0.56 2.04 -1.85 -3.38 117.51 118.24 2khn h ILE 45 Ca -0.49 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.13 2khn h ILE 45 Cb 1.23 0.45 -0.20 0.00 -0.74 0.00 0.00 36.82 37.55 2khn h ILE 45 CO 0.67 0.00 -0.52 -0.24 0.00 0.00 0.00 178.15 178.07 2khn n SER 46 N -5.38 -1.28 0.00 1.72 2.88 -1.26 -4.92 113.62 105.37 2khn n SER 46 Ca -0.08 -2.54 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 2khn n SER 46 Cb 0.29 0.75 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 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 -0.47 0.75 3.24 0.46 0.00 -1.26 -2.37 105.19 105.54 2khn n GLY 47 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.32 0.68 0.39 1.61 -0.71 -1.26 -4.96 117.98 111.41 2khn s PHE 48 Ca 0.00 -1.04 0.03 0.00 -1.04 0.00 0.00 56.93 54.89 2khn s PHE 48 Cb 0.00 -0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 2khn s PHE 48 CO 0.00 -0.62 0.09 0.96 -1.34 0.00 0.00 175.22 174.31 2khn s ILE 49 N -4.02 0.85 0.29 -4.49 -4.36 -1.26 -2.36 121.20 105.84 2khn s ILE 49 Ca 0.22 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.65 2khn s ILE 49 Cb 0.06 -2.47 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 2khn s ILE 49 CO 0.02 0.00 0.14 0.35 0.24 0.00 0.00 174.94 175.68 2khn n THR 50 N -0.88 0.00 -0.18 8.37 -2.24 -1.26 -4.85 114.28 113.24 2khn n THR 50 Ca -0.06 -1.77 -0.00 0.00 -2.27 0.00 0.00 64.05 59.95 2khn n THR 50 Cb 0.66 0.71 0.24 0.00 -2.10 0.00 0.00 70.33 69.83 2khn n THR 50 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2khn h GLY 51 N 1.29 0.98 1.51 3.38 0.00 -1.69 0.17 103.07 108.72 2khn h GLY 51 Ca -0.22 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.54 2khn h GLY 51 CO 0.34 0.41 -0.50 -1.80 0.00 0.00 0.00 176.54 174.98 2khn h ASP 52 N 0.93 0.57 -0.53 0.19 3.58 -1.91 0.26 116.42 119.51 2khn h ASP 52 Ca 0.24 -0.29 -0.12 0.00 0.42 0.00 0.00 57.03 57.28 2khn h ASP 52 Cb 0.01 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2khn h ASP 52 CO -0.04 0.97 -0.13 1.56 -2.88 0.00 0.00 179.24 178.72 2khn h GLN 53 N 0.41 1.02 -0.27 0.28 7.50 -1.71 0.91 115.11 123.25 2khn h GLN 53 Ca 0.02 -0.39 -0.02 0.00 0.50 0.00 0.00 58.65 58.75 2khn h GLN 53 Cb 1.02 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.49 2khn h GLN 53 CO 0.09 1.08 0.07 0.00 -1.50 0.00 0.00 178.83 178.58 2khn h ALA 54 N 0.91 0.36 -0.46 3.87 0.00 -0.53 -0.84 119.26 122.57 2khn h ALA 54 Ca 0.13 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2khn h ALA 54 Cb 0.71 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2khn h ALA 54 CO 0.05 0.00 -0.10 -0.09 0.00 0.00 0.00 179.25 179.12 2khn h ARG 55 N 0.27 0.01 -0.64 0.00 9.65 -0.25 0.23 114.38 123.65 2khn h ARG 55 Ca 0.09 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.91 2khn h ARG 55 Cb 0.27 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 2khn h ARG 55 CO -0.00 0.01 0.17 -0.97 2.80 0.00 0.00 179.97 181.98 2khn h ASN 56 N 0.01 0.94 0.11 -3.80 -1.24 -0.67 -0.11 115.58 110.82 2khn h ASN 56 Ca 0.22 -0.18 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 2khn h ASN 56 Cb 0.34 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2khn h ASN 56 CO -0.46 0.90 -0.05 0.15 -1.29 0.00 0.00 177.43 176.68 2khn h PHE 57 N 0.96 -0.13 -0.95 0.67 3.57 -0.14 -1.54 116.94 119.37 2khn h PHE 57 Ca 0.21 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2khn h PHE 57 Cb 0.32 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 2khn h PHE 57 CO 0.02 0.15 0.61 0.74 -2.23 0.00 0.00 178.31 177.60 2khn h PHE 58 N -0.42 1.23 -0.08 0.41 -1.00 -0.48 -1.91 116.94 114.69 2khn h PHE 58 Ca -0.01 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 2khn h PHE 58 Cb 0.35 -0.41 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 2khn h PHE 58 CO 0.02 0.79 -0.25 0.35 -1.61 0.00 0.00 178.31 177.61 2khn h PHE 59 N 1.30 0.14 0.00 -0.55 3.57 -0.96 -2.37 116.94 118.07 2khn h PHE 59 Ca 0.35 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.82 2khn h PHE 59 Cb -0.11 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.60 2khn h PHE 59 CO 0.00 0.38 0.00 0.94 -2.23 0.00 0.00 178.31 177.40 2khn n GLN 60 N -4.19 0.96 -0.04 1.11 7.27 -0.59 -3.62 117.38 118.27 2khn n GLN 60 Ca -0.01 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.86 2khn n GLN 60 Cb 0.33 -1.23 -0.13 0.00 2.41 0.00 0.00 30.24 31.63 2khn n GLN 60 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2khn h SER 61 N 0.00 0.18 0.00 1.69 4.64 -1.37 -3.49 113.55 115.21 2khn h SER 61 Ca 0.00 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 2khn h SER 61 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2khn h SER 61 CO 0.00 1.45 0.00 0.61 -0.87 0.00 0.00 176.83 178.02 2khn n GLY 62 N 1.62 0.78 3.84 -0.77 0.00 -1.24 -5.10 105.19 104.32 2khn n GLY 62 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 4.01 0.69 0.99 1.43 -1.26 -5.05 118.68 119.49 2khn s LEU 63 Ca 0.00 1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 54.35 2khn s LEU 63 Cb 0.00 -4.23 0.02 0.00 0.03 0.00 0.00 46.19 42.01 2khn s LEU 63 CO 0.00 -0.27 1.19 -2.16 0.23 0.00 0.00 176.35 175.34 2khn s PRO 64 N -3.10 2.39 0.18 1.29 0.04 -1.26 -4.77 135.00 129.77 2khn s PRO 64 Ca 0.57 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 2khn s PRO 64 Cb -0.10 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.68 2khn s PRO 64 CO 0.17 -1.63 1.82 0.37 0.04 0.00 0.00 177.00 177.76 2khn h GLN 65 N -0.04 0.61 -0.94 4.56 4.15 -1.97 -0.29 115.11 121.18 2khn h GLN 65 Ca -0.48 -0.04 0.17 0.00 0.77 0.00 0.00 58.65 59.07 2khn h GLN 65 Cb 1.29 -0.14 -0.10 0.00 0.21 0.00 0.00 27.48 28.74 2khn h GLN 65 CO 0.51 0.40 0.54 -1.35 -1.93 0.00 0.00 178.83 177.01 2khn h PRO 66 N 0.63 0.69 -0.34 -2.39 0.11 -1.99 0.28 132.00 129.00 2khn h PRO 66 Ca 0.22 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.13 2khn h PRO 66 Cb 0.03 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 2khn h PRO 66 CO -0.10 0.46 -0.39 0.28 -0.21 0.00 0.00 178.00 178.04 2khn h VAL 67 N 0.71 1.28 -0.39 3.15 2.07 -1.66 -2.24 116.25 119.17 2khn h VAL 67 Ca 0.53 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 2khn h VAL 67 Cb 0.79 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2khn h VAL 67 CO -0.37 0.52 0.23 -0.07 0.02 0.00 0.00 177.57 177.89 2khn h LEU 68 N 0.65 0.48 -1.43 2.57 3.38 0.02 -1.82 115.31 119.16 2khn h LEU 68 Ca 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2khn h LEU 68 Cb 0.99 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2khn h LEU 68 CO 0.09 0.41 0.15 0.00 0.09 0.00 0.00 178.44 179.18 2khn h ALA 69 N 1.09 1.55 -0.28 1.53 0.00 -0.44 0.22 119.26 122.93 2khn h ALA 69 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2khn h ALA 69 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2khn h ALA 69 CO -0.02 0.35 0.09 0.37 0.00 0.00 0.00 179.25 180.04 2khn h GLN 70 N 0.53 0.43 -0.46 0.00 -0.00 -0.91 0.47 115.11 115.17 2khn h GLN 70 Ca 0.13 -0.09 -0.06 0.00 -0.00 0.00 0.00 58.65 58.63 2khn h GLN 70 Cb 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.51 2khn h GLN 70 CO -0.01 0.48 0.04 0.82 0.00 0.00 0.00 178.83 180.16 2khn h ILE 71 N 0.29 1.25 -0.43 2.39 2.04 -0.65 -2.41 117.51 119.99 2khn h ILE 71 Ca 0.09 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 2khn h ILE 71 Cb 0.23 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2khn h ILE 71 CO -0.00 0.34 0.10 -0.25 0.00 0.00 0.00 178.15 178.34 2khn h TRP 72 N 0.65 0.73 0.00 1.37 7.01 -0.43 0.24 115.95 125.51 2khn h TRP 72 Ca 0.14 -0.09 -0.05 0.00 2.11 0.00 0.00 58.89 61.00 2khn h TRP 72 Cb 0.44 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 2khn h TRP 72 CO 0.03 0.68 -0.23 0.00 -2.79 0.00 0.00 178.44 176.14 2khn h ALA 73 N 0.96 1.41 0.00 2.65 0.00 -0.85 0.17 119.26 123.60 2khn h ALA 73 Ca 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2khn h ALA 73 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2khn h ALA 73 CO 0.00 0.28 -0.18 -0.07 0.00 0.00 0.00 179.25 179.29 2khn h LEU 74 N 0.00 0.15 -0.13 0.00 3.38 -0.97 -3.38 115.31 114.35 2khn h LEU 74 Ca -0.00 -0.81 -0.12 0.00 0.09 0.00 0.00 57.88 57.04 2khn h LEU 74 Cb 0.46 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2khn h LEU 74 CO 0.03 0.94 -0.38 0.00 0.09 0.00 0.00 178.44 179.12 2khn h ALA 75 N 0.21 0.23 -0.58 1.53 0.00 -0.18 -3.35 119.26 117.11 2khn h ALA 75 Ca -0.02 -0.45 -0.60 0.00 0.00 0.00 0.00 54.91 53.84 2khn h ALA 75 Cb 0.97 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 2khn h ALA 75 CO 0.03 0.31 2.07 -3.47 0.00 0.00 0.00 179.25 178.20 2khn n ASP 76 N -4.32 4.16 -0.07 0.00 2.03 0.55 -4.58 116.55 114.32 2khn n ASP 76 Ca -0.07 -2.84 -0.12 0.00 0.52 0.00 0.00 54.79 52.28 2khn n ASP 76 Cb 0.52 -1.69 -0.05 0.00 -0.72 0.00 0.00 41.12 39.18 2khn n ASP 76 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2khn h MET 77 N 7.89 0.42 0.00 -0.67 2.86 -1.82 -1.73 114.93 121.87 2khn h MET 77 Ca 0.41 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2khn h MET 77 Cb 0.84 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2khn h MET 77 CO 1.50 0.69 0.00 0.27 1.06 0.00 0.00 176.91 180.43 2khn n ASN 78 N -4.58 0.41 -3.51 1.22 0.23 -1.26 -4.95 115.26 102.83 2khn n ASN 78 Ca -0.05 0.56 -0.18 0.00 -0.53 0.00 0.00 54.58 54.39 2khn n ASN 78 Cb 0.30 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.34 2khn n ASN 78 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2khn n ASN 79 N -1.91 -5.94 0.06 0.53 4.05 -0.65 -4.93 115.26 106.47 2khn n ASN 79 Ca 0.05 -0.56 0.08 0.00 0.45 0.00 0.00 54.58 54.59 2khn n ASN 79 Cb 0.32 -2.94 -0.05 0.00 1.23 0.00 0.00 39.78 38.33 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 -2.07 0.70 0.00 1.20 2.03 -1.26 -4.97 116.55 112.18 2khn n ASP 80 Ca -0.19 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2khn n ASP 80 Cb 0.63 0.62 0.00 0.00 -0.72 0.00 0.00 41.12 41.65 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 1.27 0.82 0.00 0.27 0.00 -1.26 -4.86 105.19 101.44 2khn n GLY 81 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2khn n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khn n ARG 82 N -2.00 0.73 -2.51 1.61 3.00 -1.26 -4.00 116.66 112.22 2khn n ARG 82 Ca 0.00 -0.10 -0.05 0.00 -0.01 0.00 0.00 57.85 57.69 2khn n ARG 82 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 32.46 31.16 2khn n ARG 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2khn n MET 83 N -1.84 -4.48 -1.41 5.56 0.00 -1.26 -3.44 117.12 110.25 2khn n MET 83 Ca -0.02 3.38 -0.29 0.00 -0.00 0.00 0.00 57.70 60.77 2khn n MET 83 Cb 0.30 -4.85 0.14 0.00 0.00 0.00 0.00 33.22 28.81 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 -0.62 3.51 0.53 6.12 2.15 -1.26 -4.67 116.67 122.43 2khn s ASP 84 Ca -0.25 1.16 0.28 0.00 0.43 0.00 0.00 52.55 54.16 2khn s ASP 84 Cb 0.02 -1.80 1.50 0.00 -0.30 0.00 0.00 42.92 42.33 2khn s ASP 84 CO 0.68 -2.57 2.09 1.56 -0.17 0.00 0.00 175.17 176.76 2khn h GLN 85 N -1.51 0.00 -0.21 4.34 7.50 -1.94 0.19 115.11 123.49 2khn h GLN 85 Ca -0.51 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 58.54 2khn h GLN 85 Cb 1.31 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.84 2khn h GLN 85 CO 0.59 0.10 -0.28 0.28 -1.50 0.00 0.00 178.83 178.03 2khn h VAL 86 N 0.00 1.33 -0.36 -0.54 2.07 -1.99 -1.38 116.25 115.37 2khn h VAL 86 Ca -0.00 -1.48 -0.13 0.00 0.82 0.00 0.00 66.70 65.91 2khn h VAL 86 Cb 0.29 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2khn h VAL 86 CO 0.01 0.46 -0.29 -0.33 0.02 0.00 0.00 177.57 177.44 2khn h GLU 87 N 0.23 0.77 0.00 1.57 4.39 -1.43 -2.61 114.58 117.51 2khn h GLU 87 Ca 0.02 -0.35 -0.09 0.00 0.34 0.00 0.00 59.36 59.28 2khn h GLU 87 Cb 0.85 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2khn h GLU 87 CO 0.07 0.97 -0.45 0.35 -1.16 0.00 0.00 179.01 178.79 2khn h PHE 88 N 0.66 0.00 -0.33 4.33 3.57 -0.72 -2.81 116.94 121.64 2khn h PHE 88 Ca 0.08 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2khn h PHE 88 Cb 0.82 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2khn h PHE 88 CO 0.04 0.45 0.22 1.03 -2.23 0.00 0.00 178.31 177.82 2khn h SER 89 N 0.00 0.30 0.22 0.41 0.87 -0.84 -1.07 113.55 113.44 2khn h SER 89 Ca -0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2khn h SER 89 Cb 0.86 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2khn h SER 89 CO 0.06 0.21 -1.07 0.00 -0.53 0.00 0.00 176.83 175.50 2khn n ILE 90 N -4.49 0.06 0.07 2.23 3.06 -1.15 -4.34 119.36 114.81 2khn n ILE 90 Ca 0.03 -0.15 -0.16 0.00 -2.50 0.00 0.00 62.75 59.97 2khn n ILE 90 Cb 0.14 0.50 -0.08 0.00 0.54 0.00 0.00 39.64 40.75 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 2.71 0.25 0.00 1.51 0.00 -0.94 -3.24 119.26 119.55 2khn h ALA 91 Ca 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 2khn h ALA 91 Cb 0.64 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2khn h ALA 91 CO 0.00 0.81 -0.25 1.98 0.00 0.00 0.00 179.25 181.79 2khn h MET 92 N 0.23 0.00 -0.13 0.00 4.05 -1.70 -2.04 114.93 115.34 2khn h MET 92 Ca -0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2khn h MET 92 Cb 1.70 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.49 2khn h MET 92 CO 0.18 0.25 0.08 0.87 0.23 0.00 0.00 176.91 178.52 2khn h LYS 93 N 0.00 0.16 -0.41 0.39 1.79 -1.80 -3.01 116.57 113.69 2khn h LYS 93 Ca -0.00 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 2khn h LYS 93 Cb 0.53 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2khn h LYS 93 CO 0.03 0.10 -0.33 -0.07 -1.08 0.00 0.00 179.45 178.10 2khn h LEU 94 N 0.16 0.99 -0.10 2.94 4.07 -1.50 -1.03 115.31 120.84 2khn h LEU 94 Ca 0.05 -0.43 0.03 0.00 0.08 0.00 0.00 57.88 57.61 2khn h LEU 94 Cb -0.01 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.42 2khn h LEU 94 CO -0.02 1.22 -0.09 0.40 -1.08 0.00 0.00 178.44 178.88 2khn h ILE 95 N 0.78 0.75 -0.25 1.22 1.08 -1.43 0.19 117.51 119.84 2khn h ILE 95 Ca 0.08 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.37 2khn h ILE 95 Cb 0.92 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2khn h ILE 95 CO 0.09 0.00 -0.56 0.50 -0.69 0.00 0.00 178.15 177.49 2khn h LYS 96 N -0.10 0.78 -0.50 2.37 3.11 -1.51 -2.92 116.57 117.79 2khn h LYS 96 Ca 0.07 -0.50 -0.09 0.00 -2.81 0.00 0.00 60.65 57.32 2khn h LYS 96 Cb 0.20 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 2khn h LYS 96 CO -0.16 1.13 -0.04 1.25 -2.81 0.00 0.00 179.45 178.82 2khn h LEU 97 N 0.59 0.90 -0.95 5.20 5.85 -0.78 -2.68 115.31 123.44 2khn h LEU 97 Ca 0.01 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 2khn h LEU 97 Cb 1.15 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2khn h LEU 97 CO 0.12 1.01 -0.43 0.11 -0.34 0.00 0.00 178.44 178.91 2khn h LYS 98 N 0.77 0.00 -0.44 1.25 1.57 -0.68 -2.26 116.57 116.78 2khn h LYS 98 Ca 0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2khn h LYS 98 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2khn h LYS 98 CO 0.03 0.43 0.25 -0.07 -0.57 0.00 0.00 179.45 179.52 2khn h LEU 99 N 0.00 0.53 -0.54 2.94 3.38 -1.28 -1.72 115.31 118.61 2khn h LEU 99 Ca -0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2khn h LEU 99 Cb 0.91 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2khn h LEU 99 CO 0.06 0.42 -0.46 -0.61 0.09 0.00 0.00 178.44 177.94 2khn h GLN 100 N 0.61 0.00 0.00 1.13 5.75 -1.22 -3.47 115.11 117.91 2khn h GLN 100 Ca 0.16 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2khn h GLN 100 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2khn h GLN 100 CO -0.03 0.46 0.00 0.41 -2.65 0.00 0.00 178.83 177.02 2khn n GLY 101 N 0.66 0.92 3.71 2.39 0.00 -0.65 -5.13 105.19 107.08 2khn n GLY 101 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.02 2.86 0.05 1.61 1.51 -1.13 -5.01 117.35 116.22 2khn s TYR 102 Ca 0.00 -0.17 0.07 0.00 -1.01 0.00 0.00 57.07 55.96 2khn s TYR 102 Cb 0.00 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 2khn s TYR 102 CO 0.00 0.57 -0.18 1.14 -1.11 0.00 0.00 175.55 175.97 2khn s GLN 103 N -3.61 2.06 0.03 -0.62 1.03 -1.26 -4.53 119.66 112.77 2khn s GLN 103 Ca 0.31 -0.99 0.04 0.00 0.04 0.00 0.00 55.36 54.76 2khn s GLN 103 Cb -0.07 -2.19 -0.02 0.00 0.03 0.00 0.00 33.01 30.76 2khn s GLN 103 CO 0.21 0.54 -0.11 -0.51 -2.54 0.00 0.00 175.29 172.88 2khn s LEU 104 N -1.49 2.15 0.00 2.60 2.01 -1.26 -5.12 118.68 117.57 2khn s LEU 104 Ca 0.15 -0.40 0.00 0.00 0.01 0.00 0.00 54.13 53.89 2khn s LEU 104 Cb -0.10 -0.47 0.00 0.00 0.01 0.00 0.00 46.19 45.62 2khn s LEU 104 CO 0.06 0.00 0.00 -0.81 1.01 0.00 0.00 176.35 176.61 2khn n PRO 105 N 2.05 1.15 -0.26 1.29 -0.04 -1.26 -4.98 135.00 132.95 2khn n PRO 105 Ca -0.18 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.36 2khn n PRO 105 Cb 0.55 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 34.23 2khn n PRO 105 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2khn n SER 106 N -1.32 2.63 -3.61 3.54 7.64 -1.26 -4.73 113.62 116.50 2khn n SER 106 Ca 0.00 -2.02 -0.21 0.00 1.01 0.00 0.00 58.87 57.65 2khn n SER 106 Cb 0.00 -0.33 -0.16 0.00 -1.01 0.00 0.00 64.21 62.71 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 -1.38 0.12 0.46 -0.43 0.00 -1.26 -4.90 121.76 114.37 2khn s ALA 107 Ca 0.32 0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.29 2khn s ALA 107 Cb 0.17 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 2khn s ALA 107 CO 0.22 -0.89 0.83 -0.51 0.00 0.00 0.00 175.76 175.41 2khn s LEU 108 N 2.21 3.68 0.74 0.00 1.43 -1.26 -5.04 118.68 120.44 2khn s LEU 108 Ca 0.04 1.17 -0.15 0.00 -1.03 0.00 0.00 54.13 54.15 2khn s LEU 108 Cb -0.14 -4.10 0.03 0.00 0.03 0.00 0.00 46.19 42.01 2khn s LEU 108 CO -0.07 -0.53 1.08 -0.81 0.23 0.00 0.00 176.35 176.25 2khn n PRO 109 N -1.75 0.50 0.25 1.29 -0.04 -1.26 -4.92 135.00 129.06 2khn n PRO 109 Ca 0.03 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2khn n PRO 109 Cb 0.54 -2.33 0.57 0.00 -0.04 0.00 0.00 33.50 32.24 2khn n PRO 109 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2khn h PRO 110 N -0.34 0.00 -0.57 0.54 0.13 -1.96 -3.22 132.00 126.58 2khn h PRO 110 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2khn h PRO 110 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 2khn h PRO 110 CO 0.47 0.11 0.25 0.28 -0.23 0.00 0.00 178.00 178.88 2khn h VAL 111 N 0.00 1.20 0.00 1.56 2.07 -1.91 0.39 116.25 119.56 2khn h VAL 111 Ca -0.00 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 2khn h VAL 111 Cb 0.63 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2khn h VAL 111 CO 0.01 0.24 -0.36 0.24 0.02 0.00 0.00 177.57 177.72 2khn h MET 112 N 0.80 0.00 0.00 1.57 2.86 -1.74 -3.16 114.93 115.27 2khn h MET 112 Ca 0.20 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2khn h MET 112 Cb 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2khn h MET 112 CO -0.02 0.36 -1.66 0.36 1.06 0.00 0.00 176.91 177.00 2khn n LYS 113 N -3.62 0.60 0.00 1.72 2.85 -0.99 -4.78 118.16 113.93 2khn n LYS 113 Ca -0.01 -0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 2khn n LYS 113 Cb 0.47 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.52 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 -2.04 0.00 -3.01 -1.58 6.02 0.13 -4.64 117.38 112.26 2khn n GLN 114 Ca -0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.55 2khn n GLN 114 Cb 0.43 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.63 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 4.50 -0.67 -1.09 0.74 -1.26 -4.89 119.66 116.98 2khn s GLN 115 Ca 0.00 1.06 -0.20 0.00 0.05 0.00 0.00 55.36 56.27 2khn s GLN 115 Cb 0.00 -3.32 -0.17 0.00 1.10 0.00 0.00 33.01 30.62 2khn s GLN 115 CO 0.00 0.41 1.88 -2.30 -0.55 0.00 0.00 175.29 174.73 2khn n PRO 116 N 2.31 1.35 -2.38 1.67 -0.02 -1.26 -4.88 135.00 131.78 2khn n PRO 116 Ca -0.04 -1.65 -0.41 0.00 -2.02 0.00 0.00 63.50 59.38 2khn n PRO 116 Cb 0.50 -2.78 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 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 5.03 3.76 -0.00 -1.45 -7.23 -1.26 -4.69 120.40 114.56 2khn s VAL 117 Ca 0.55 0.63 0.01 0.00 -1.81 0.00 0.00 61.98 61.35 2khn s VAL 117 Cb 0.14 -4.45 0.01 0.00 0.56 0.00 0.00 36.38 32.64 2khn s VAL 117 CO 0.12 -1.21 0.85 0.00 -0.31 0.00 0.00 175.10 174.56 2khn n ALA 118 N 9.72 1.71 0.00 1.32 0.00 -1.26 -5.03 120.51 126.97 2khn n ALA 118 Ca 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2khn n ALA 118 Cb 0.49 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2khn n ALA 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2khn n ILE 119 N -0.06 0.00 -2.27 0.00 2.08 -1.26 -4.83 119.36 113.02 2khn n ILE 119 Ca 0.01 0.00 -0.39 0.00 0.56 0.00 0.00 62.75 62.92 2khn n ILE 119 Cb 0.63 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.49 2khn n ILE 119 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2khn s SER 120 N 0.00 5.67 0.00 4.38 0.01 -1.26 -5.26 113.70 117.24 2khn s SER 120 Ca 0.00 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2khn s SER 120 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2khn s SER 120 CO 0.00 -2.14 0.00 -1.20 0.41 0.00 0.00 173.24 170.31