#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 4.10 3.26 3.03 0.00 -1.26 -4.63 105.19 109.70 2khn n GLY 2 Ca 0.00 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 2khn n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2khn s HIS 3 N 1.13 3.41 -0.77 1.61 5.65 -1.26 -5.03 115.29 120.04 2khn s HIS 3 Ca 0.66 -1.70 -0.26 0.00 0.25 0.00 0.00 55.06 54.01 2khn s HIS 3 Cb 0.23 -3.66 0.03 0.00 -1.18 0.00 0.00 32.58 28.00 2khn s HIS 3 CO -0.06 -1.00 1.28 -1.58 -0.65 0.00 0.00 174.74 172.74 2khn s HIS 4 N 1.19 2.33 -0.28 3.88 2.46 -1.26 -4.55 115.29 119.06 2khn s HIS 4 Ca 0.07 -0.17 -0.03 0.00 0.47 0.00 0.00 55.06 55.40 2khn s HIS 4 Cb -0.25 -4.62 0.11 0.00 -0.13 0.00 0.00 32.58 27.69 2khn s HIS 4 CO -0.01 -2.04 0.17 -1.58 -2.47 0.00 0.00 174.74 168.81 2khn s HIS 5 N 5.56 0.11 -0.43 3.88 5.65 -1.26 -5.11 115.29 123.69 2khn s HIS 5 Ca 0.36 -0.66 -0.29 0.00 0.25 0.00 0.00 55.06 54.72 2khn s HIS 5 Cb -0.07 -0.77 0.03 0.00 -1.18 0.00 0.00 32.58 30.58 2khn s HIS 5 CO 0.12 -0.83 1.09 -1.58 -0.65 0.00 0.00 174.74 172.89 2khn s HIS 6 N 2.17 2.93 -0.30 3.88 2.46 -1.26 -4.97 115.29 120.21 2khn s HIS 6 Ca 0.09 0.83 -0.11 0.00 0.47 0.00 0.00 55.06 56.34 2khn s HIS 6 Cb -0.15 -4.15 0.13 0.00 -0.13 0.00 0.00 32.58 28.28 2khn s HIS 6 CO -0.34 -1.09 0.69 -1.58 -2.47 0.00 0.00 174.74 169.95 2khn s HIS 7 N 4.12 -1.26 0.59 3.88 5.65 -1.26 -5.16 115.29 121.86 2khn s HIS 7 Ca 0.46 2.20 -0.19 0.00 0.25 0.00 0.00 55.06 57.77 2khn s HIS 7 Cb -0.09 0.75 -0.03 0.00 -1.18 0.00 0.00 32.58 32.03 2khn s HIS 7 CO 0.26 -0.62 1.25 -3.38 -0.65 0.00 0.00 174.74 171.59 2khn s HIS 8 N 2.77 2.34 0.17 3.88 -0.00 -1.26 -5.03 115.29 118.16 2khn s HIS 8 Ca -0.06 1.49 -0.24 0.00 -0.00 0.00 0.00 55.06 56.25 2khn s HIS 8 Cb -0.11 -3.57 0.06 0.00 -0.00 0.00 0.00 32.58 28.95 2khn s HIS 8 CO -0.19 -2.44 0.84 -1.54 -0.00 0.00 0.00 174.74 171.41 2khn s SER 9 N -1.43 -0.27 0.02 7.38 1.04 -1.26 -5.03 113.70 114.15 2khn s SER 9 Ca 0.77 -0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.89 2khn s SER 9 Cb -0.33 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2khn s SER 9 CO 0.37 -1.00 -0.13 -1.00 0.98 0.00 0.00 173.24 172.46 2khn s HIS 10 N -3.50 2.71 0.54 5.02 0.09 -1.26 -5.03 115.29 113.85 2khn s HIS 10 Ca 0.10 -0.16 -0.19 0.00 -0.00 0.00 0.00 55.06 54.80 2khn s HIS 10 Cb -0.03 -1.53 -0.06 0.00 -0.00 0.00 0.00 32.58 30.96 2khn s HIS 10 CO 0.00 0.30 1.11 0.00 -0.00 0.00 0.00 174.74 176.15 2khn s MET 11 N -1.42 3.42 0.00 1.40 0.00 -1.26 -3.70 119.30 117.73 2khn s MET 11 Ca 0.16 1.54 0.00 0.00 0.00 0.00 0.00 55.69 57.39 2khn s MET 11 Cb -0.11 -2.02 0.00 0.00 0.00 0.00 0.00 34.83 32.70 2khn s MET 11 CO 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 175.02 174.30 2khn n ALA 12 N -1.31 0.00 -2.79 3.16 0.00 -1.26 -4.92 120.51 113.39 2khn n ALA 12 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 2khn n ALA 12 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.44 2.91 0.87 0.00 -0.21 -1.26 -5.02 119.66 115.51 2khn s GLN 13 Ca 0.00 -0.72 -0.12 0.00 0.02 0.00 0.00 55.36 54.54 2khn s GLN 13 Cb 0.00 -2.47 0.11 0.00 1.00 0.00 0.00 33.01 31.66 2khn s GLN 13 CO 0.00 0.41 1.11 -0.06 -2.12 0.00 0.00 175.29 174.63 2khn s PHE 14 N -0.17 2.57 0.00 0.91 0.40 -1.26 -5.08 117.98 115.35 2khn s PHE 14 Ca -0.01 1.04 0.00 0.00 -0.60 0.00 0.00 56.93 57.37 2khn s PHE 14 Cb -0.13 -3.24 0.00 0.00 0.51 0.00 0.00 43.02 40.16 2khn s PHE 14 CO 0.03 -2.19 0.00 -0.35 0.70 0.00 0.00 175.22 173.41 2khn n PRO 15 N -3.69 0.43 -1.72 0.24 -0.04 -1.26 -4.94 135.00 124.02 2khn n PRO 15 Ca 0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 2khn n PRO 15 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 2khn n PRO 15 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2khn n THR 16 N -1.06 1.05 -1.76 0.52 5.66 -1.26 -4.81 114.28 112.63 2khn n THR 16 Ca 0.00 -0.26 -0.24 0.00 -3.05 0.00 0.00 64.05 60.50 2khn n THR 16 Cb 0.00 -1.81 -0.09 0.00 -1.55 0.00 0.00 70.33 66.88 2khn n THR 16 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2khn n PRO 17 N 2.04 0.90 -3.69 1.09 -0.02 -1.26 -4.83 135.00 129.22 2khn n PRO 17 Ca 0.09 -2.06 -0.19 0.00 -2.02 0.00 0.00 63.50 59.32 2khn n PRO 17 Cb 0.35 -3.74 -0.17 0.00 -0.02 0.00 0.00 33.50 29.92 2khn n PRO 17 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2khn s PHE 18 N 13.35 0.04 0.00 6.00 0.40 -1.26 -5.16 117.98 131.35 2khn s PHE 18 Ca 0.74 0.26 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 2khn s PHE 18 Cb -0.01 -0.41 0.00 0.00 0.51 0.00 0.00 43.02 43.11 2khn s PHE 18 CO 0.17 -0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.32 2khn n GLY 19 N 5.04 5.24 0.00 4.36 0.00 -1.26 -4.99 105.19 113.58 2khn n GLY 19 Ca -0.09 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2khn n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2khn n GLY 20 N 5.00 2.29 3.88 -0.02 0.00 -1.26 -5.11 105.19 109.97 2khn n GLY 20 Ca 0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 6.18 -0.07 1.61 0.01 -1.26 -5.11 113.70 115.06 2khn s SER 21 Ca 0.00 0.24 -0.02 0.00 1.31 0.00 0.00 55.95 57.48 2khn s SER 21 Cb 0.00 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 2khn s SER 21 CO 0.00 0.20 0.02 -0.76 0.41 0.00 0.00 173.24 173.11 2khn s LEU 22 N -2.29 3.66 -0.05 2.44 1.02 -1.26 -5.10 118.68 117.10 2khn s LEU 22 Ca 0.31 0.15 -0.03 0.00 0.02 0.00 0.00 54.13 54.58 2khn s LEU 22 Cb -0.13 -1.91 0.03 0.00 0.02 0.00 0.00 46.19 44.21 2khn s LEU 22 CO 0.24 0.36 0.12 -0.62 0.02 0.00 0.00 176.35 176.47 2khn s ASP 23 N -1.07 -0.08 -0.09 2.29 -1.08 -1.26 -5.06 116.67 110.31 2khn s ASP 23 Ca 0.15 0.25 -0.09 0.00 -0.52 0.00 0.00 52.55 52.34 2khn s ASP 23 Cb -0.11 0.16 -0.28 0.00 -1.46 0.00 0.00 42.92 41.22 2khn s ASP 23 CO 0.05 -0.13 0.50 0.74 0.52 0.00 0.00 175.17 176.85 2khn h THR 24 N 5.92 0.77 0.00 1.71 2.02 -2.03 -3.38 112.91 117.92 2khn h THR 24 Ca -0.40 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.36 2khn h THR 24 Cb 1.15 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 70.18 2khn h THR 24 CO 0.43 0.88 -0.78 -0.50 0.37 0.00 0.00 175.52 175.93 2khn h TRP 25 N 0.07 0.00 -2.34 3.16 -0.00 -1.97 -3.46 115.95 111.41 2khn h TRP 25 Ca -0.39 0.00 -0.56 0.00 -0.00 0.00 0.00 58.89 57.94 2khn h TRP 25 Cb 2.05 0.00 0.04 0.00 -0.00 0.00 0.00 29.16 31.26 2khn h TRP 25 CO 0.09 0.00 1.02 0.00 -0.00 0.00 0.00 178.44 179.55 2khn n ALA 26 N -1.98 1.72 -2.58 1.49 0.00 -1.26 -3.85 120.51 114.05 2khn n ALA 26 Ca 0.02 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 2khn n ALA 26 Cb 0.49 -2.50 -0.07 0.00 0.00 0.00 0.00 19.45 17.36 2khn n ALA 26 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2khn s ILE 27 N 2.41 4.89 0.83 0.00 1.01 -1.26 -5.03 121.20 124.05 2khn s ILE 27 Ca 0.83 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 61.20 2khn s ILE 27 Cb -0.58 -4.20 0.09 0.00 0.01 0.00 0.00 42.46 37.78 2khn s ILE 27 CO 0.40 -0.63 1.14 -0.89 0.00 0.00 0.00 174.94 174.96 2khn s THR 28 N 2.64 2.40 0.55 2.92 2.01 -1.26 -4.85 115.64 120.04 2khn s THR 28 Ca 0.18 0.13 0.23 0.00 0.31 0.00 0.00 61.69 62.54 2khn s THR 28 Cb -0.16 -2.99 0.32 0.00 0.01 0.00 0.00 72.50 69.67 2khn s THR 28 CO 0.16 -0.17 2.17 0.58 -0.69 0.00 0.00 174.62 176.67 2khn h VAL 29 N -1.16 0.75 0.28 3.82 2.07 -1.97 -1.26 116.25 118.78 2khn h VAL 29 Ca -0.48 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2khn h VAL 29 Cb 1.31 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2khn h VAL 29 CO 0.63 0.00 -0.14 -0.08 0.02 0.00 0.00 177.57 178.00 2khn h GLU 30 N 0.00 -0.37 -0.61 1.57 4.81 -1.98 0.49 114.58 118.48 2khn h GLU 30 Ca 0.03 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2khn h GLU 30 Cb 0.14 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2khn h GLU 30 CO -0.00 -0.13 0.40 0.93 -0.73 0.00 0.00 179.01 179.49 2khn h GLU 31 N -0.56 0.74 -0.50 1.92 3.07 -1.77 0.29 114.58 117.77 2khn h GLU 31 Ca -0.04 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 2khn h GLU 31 Cb 0.41 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 2khn h GLU 31 CO 0.06 0.49 0.23 -0.09 -1.40 0.00 0.00 179.01 178.31 2khn h ARG 32 N 0.76 0.73 -0.04 2.33 2.43 -0.95 -2.59 114.38 117.04 2khn h ARG 32 Ca 0.24 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 2khn h ARG 32 Cb 0.01 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2khn h ARG 32 CO -0.06 0.62 -0.60 0.00 -1.51 0.00 0.00 179.97 178.41 2khn h ALA 33 N 1.08 0.91 0.00 2.80 0.00 -0.06 -3.21 119.26 120.78 2khn h ALA 33 Ca 0.17 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2khn h ALA 33 Cb 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2khn h ALA 33 CO -0.02 0.74 -0.03 0.87 0.00 0.00 0.00 179.25 180.81 2khn h LYS 34 N 0.10 0.00 -0.78 0.00 1.79 -0.05 -2.17 116.57 115.47 2khn h LYS 34 Ca -0.01 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.57 2khn h LYS 34 Cb 1.09 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 2khn h LYS 34 CO 0.09 0.03 0.51 1.12 -1.08 0.00 0.00 179.45 180.12 2khn h HIS 35 N 0.00 0.71 -0.11 -1.35 2.07 -1.54 -2.37 115.15 112.56 2khn h HIS 35 Ca -0.00 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 2khn h HIS 35 Cb 0.08 -0.23 -0.00 0.00 2.57 0.00 0.00 27.41 29.82 2khn h HIS 35 CO 0.00 0.32 0.04 0.22 -3.07 0.00 0.00 177.93 175.44 2khn h ASP 36 N 0.66 0.16 0.03 3.10 3.58 -1.62 0.29 116.42 122.62 2khn h ASP 36 Ca 0.36 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2khn h ASP 36 Cb 0.53 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2khn h ASP 36 CO -0.14 0.31 -0.01 -0.61 -2.88 0.00 0.00 179.24 175.91 2khn h GLN 37 N 0.00 -0.04 -0.15 0.28 4.15 -1.60 0.22 115.11 117.97 2khn h GLN 37 Ca 0.04 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 2khn h GLN 37 Cb 0.21 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2khn h GLN 37 CO -0.00 0.10 -0.28 1.96 -1.93 0.00 0.00 178.83 178.67 2khn h GLN 38 N -0.16 0.29 -0.22 1.69 7.50 -1.38 -2.43 115.11 120.40 2khn h GLN 38 Ca -0.00 -0.11 -0.16 0.00 0.50 0.00 0.00 58.65 58.88 2khn h GLN 38 Cb 0.15 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.66 2khn h GLN 38 CO 0.01 0.56 -0.52 0.35 -1.50 0.00 0.00 178.83 177.72 2khn h PHE 39 N 0.26 0.77 -0.21 2.96 3.04 -0.21 -3.05 116.94 120.49 2khn h PHE 39 Ca 0.04 -0.26 -0.07 0.00 3.98 0.00 0.00 57.97 61.66 2khn h PHE 39 Cb 0.64 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 2khn h PHE 39 CO 0.01 1.01 -0.16 1.25 -2.02 0.00 0.00 178.31 178.40 2khn h HIS 40 N 0.48 0.38 0.00 0.41 2.76 -0.49 -1.87 115.15 116.83 2khn h HIS 40 Ca 0.02 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 2khn h HIS 40 Cb 1.07 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.92 2khn h HIS 40 CO 0.05 0.51 -0.08 0.77 -1.30 0.00 0.00 177.93 177.88 2khn h SER 41 N 0.33 0.00 1.02 3.26 0.02 -1.36 -2.30 113.55 114.53 2khn h SER 41 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2khn h SER 41 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2khn h SER 41 CO 0.03 0.08 0.00 0.25 -1.14 0.00 0.00 176.83 176.05 2khn h LEU 42 N 0.00 0.00 -2.46 5.07 6.46 -1.30 -3.48 115.31 119.61 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 0.66 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 2khn h LEU 42 CO 0.01 0.00 -0.07 0.29 -0.62 0.00 0.00 178.44 178.05 2khn n LYS 43 N -2.43 -1.26 -1.53 1.25 4.76 -0.86 -5.01 118.16 113.08 2khn n LYS 43 Ca 0.03 1.43 -0.32 0.00 -2.87 0.00 0.00 58.31 56.57 2khn n LYS 43 Cb 0.30 -5.08 0.07 0.00 -1.84 0.00 0.00 35.03 28.48 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 -2.89 2.52 -0.04 1.97 0.04 -1.26 -5.02 135.00 130.31 2khn s PRO 44 Ca 0.03 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.35 2khn s PRO 44 Cb -0.01 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2khn s PRO 44 CO 0.63 -1.46 0.30 0.82 0.04 0.00 0.00 177.00 177.33 2khn h ILE 45 N -0.47 0.00 0.00 0.56 5.03 -1.91 -3.39 117.51 117.33 2khn h ILE 45 Ca -0.45 -0.53 -0.00 0.00 -0.12 0.00 0.00 64.86 63.75 2khn h ILE 45 Cb 1.24 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 35.02 2khn h ILE 45 CO 0.52 0.00 -0.39 -1.54 -0.68 0.00 0.00 178.15 176.07 2khn n SER 46 N -3.99 1.84 0.00 1.72 3.41 -1.26 -4.87 113.62 110.46 2khn n SER 46 Ca -0.02 -3.63 0.00 0.00 -0.26 0.00 0.00 58.87 54.96 2khn n SER 46 Cb 0.08 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2khn n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2khn n GLY 47 N -1.15 0.69 3.46 5.00 0.00 -1.26 -5.06 105.19 106.87 2khn n GLY 47 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2khn n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2khn s PHE 48 N -2.45 2.14 0.00 1.61 0.08 -1.26 -4.97 117.98 113.12 2khn s PHE 48 Ca 0.00 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.51 2khn s PHE 48 Cb 0.00 -1.14 0.00 0.00 -0.57 0.00 0.00 43.02 41.31 2khn s PHE 48 CO 0.00 0.48 0.00 0.44 -0.10 0.00 0.00 175.22 176.04 2khn n ILE 49 N -0.63 0.00 -4.06 0.64 -5.35 -1.26 -2.76 119.36 105.93 2khn n ILE 49 Ca -0.06 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.30 2khn n ILE 49 Cb 0.62 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.48 2khn n ILE 49 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2khn s THR 50 N -1.43 0.00 0.17 7.28 -1.32 -1.24 -4.85 115.64 114.25 2khn s THR 50 Ca 0.00 -1.56 -0.14 0.00 -1.21 0.00 0.00 61.69 58.78 2khn s THR 50 Cb 0.00 -2.52 0.06 0.00 -1.51 0.00 0.00 72.50 68.52 2khn s THR 50 CO 0.00 0.00 1.82 1.23 -2.21 0.00 0.00 174.62 175.46 2khn h GLY 51 N 2.19 0.70 1.51 6.08 0.00 -1.18 0.28 103.07 112.65 2khn h GLY 51 Ca -0.28 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 2khn h GLY 51 CO 0.39 0.22 0.11 -1.80 0.00 0.00 0.00 176.54 175.46 2khn h ASP 52 N 0.64 0.58 0.50 0.19 3.58 -1.91 -2.05 116.42 117.94 2khn h ASP 52 Ca 0.19 -0.08 -0.21 0.00 0.42 0.00 0.00 57.03 57.34 2khn h ASP 52 Cb -0.03 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 2khn h ASP 52 CO -0.06 0.57 -0.93 -0.61 -2.88 0.00 0.00 179.24 175.33 2khn h GLN 53 N 0.61 0.28 -0.46 0.28 4.15 -1.77 -3.31 115.11 114.88 2khn h GLN 53 Ca 0.14 -0.31 0.06 0.00 0.77 0.00 0.00 58.65 59.31 2khn h GLN 53 Cb 0.22 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 2khn h GLN 53 CO -0.00 1.03 0.17 0.00 -1.93 0.00 0.00 178.83 178.09 2khn h ALA 54 N 0.86 0.56 -0.31 3.38 0.00 0.24 -2.32 119.26 121.68 2khn h ALA 54 Ca -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2khn h ALA 54 Cb 1.57 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2khn h ALA 54 CO 0.15 -0.22 0.16 0.07 0.00 0.00 0.00 179.25 179.41 2khn h ARG 55 N 0.34 0.41 -0.89 0.00 0.11 -1.56 -2.32 114.38 110.47 2khn h ARG 55 Ca 0.22 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.26 2khn h ARG 55 Cb 0.22 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.17 2khn h ARG 55 CO -0.22 0.31 0.56 -0.97 0.10 0.00 0.00 179.97 179.75 2khn h ASN 56 N 0.42 1.06 -0.05 0.08 -1.24 -1.55 0.25 115.58 114.55 2khn h ASN 56 Ca 0.11 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 2khn h ASN 56 Cb 0.02 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 38.80 2khn h ASN 56 CO -0.02 0.80 0.01 0.15 -1.29 0.00 0.00 177.43 177.09 2khn h PHE 57 N 1.23 0.09 -0.24 0.67 3.04 -1.44 -0.54 116.94 119.75 2khn h PHE 57 Ca 0.32 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.18 2khn h PHE 57 Cb -0.08 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 2khn h PHE 57 CO -0.00 0.28 -0.19 0.74 -2.02 0.00 0.00 178.31 177.11 2khn h PHE 58 N -0.12 0.46 -0.09 0.41 0.04 -1.39 -1.47 116.94 114.78 2khn h PHE 58 Ca 0.02 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2khn h PHE 58 Cb 0.23 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2khn h PHE 58 CO 0.00 0.59 -0.24 0.35 -0.60 0.00 0.00 178.31 178.42 2khn h PHE 59 N 0.38 0.16 0.00 -0.55 3.57 -0.30 -1.23 116.94 118.97 2khn h PHE 59 Ca 0.06 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2khn h PHE 59 Cb 0.56 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2khn h PHE 59 CO 0.02 0.38 0.00 0.94 -2.23 0.00 0.00 178.31 177.41 2khn n GLN 60 N -4.21 0.10 0.00 1.11 0.00 -0.23 -2.84 117.38 111.32 2khn n GLN 60 Ca -0.01 0.11 0.14 0.00 -0.00 0.00 0.00 57.00 57.23 2khn n GLN 60 Cb 0.33 -1.63 0.53 0.00 0.00 0.00 0.00 30.24 29.47 2khn n GLN 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2khn n SER 61 N -1.81 0.37 -0.44 1.69 7.64 -0.47 -4.92 113.62 115.69 2khn n SER 61 Ca 0.06 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2khn n SER 61 Cb 0.36 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 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 1.38 0.89 3.42 0.23 0.00 -1.13 -5.04 105.19 104.95 2khn n GLY 62 Ca 0.11 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.87 2.48 0.62 0.99 1.43 -1.24 -5.03 118.68 117.06 2khn s LEU 63 Ca 0.00 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 2khn s LEU 63 Cb 0.00 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 2khn s LEU 63 CO 0.00 0.26 1.14 -2.84 0.23 0.00 0.00 176.35 175.14 2khn s PRO 64 N -1.33 2.92 0.16 1.29 0.02 -1.26 -4.71 135.00 132.10 2khn s PRO 64 Ca 0.13 1.56 -0.16 0.00 0.02 0.00 0.00 61.00 62.55 2khn s PRO 64 Cb -0.10 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 32.55 2khn s PRO 64 CO 0.04 -1.19 1.71 1.96 -0.33 0.00 0.00 177.00 179.19 2khn h GLN 65 N 0.47 0.12 -0.38 5.54 7.50 -1.99 0.23 115.11 126.59 2khn h GLN 65 Ca -0.48 -0.01 0.11 0.00 0.50 0.00 0.00 58.65 58.77 2khn h GLN 65 Cb 1.26 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.75 2khn h GLN 65 CO 0.55 0.08 0.28 -1.35 -1.50 0.00 0.00 178.83 176.88 2khn h PRO 66 N 0.12 0.02 0.23 1.46 0.11 -2.00 -0.73 132.00 131.21 2khn h PRO 66 Ca 0.18 -0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.95 2khn h PRO 66 Cb 0.24 -0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.37 2khn h PRO 66 CO -0.28 0.01 -1.51 0.28 -0.21 0.00 0.00 178.00 176.29 2khn h VAL 67 N 0.02 1.24 -0.29 3.15 2.07 -1.50 -3.10 116.25 117.85 2khn h VAL 67 Ca 0.18 -2.72 0.05 0.00 0.82 0.00 0.00 66.70 65.04 2khn h VAL 67 Cb 0.70 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 33.41 2khn h VAL 67 CO -0.01 0.83 -0.02 -0.07 0.02 0.00 0.00 177.57 178.33 2khn h LEU 68 N 0.13 -0.15 -1.96 2.57 3.38 0.40 -0.60 115.31 119.08 2khn h LEU 68 Ca -0.26 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2khn h LEU 68 Cb 2.14 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 43.01 2khn h LEU 68 CO 0.25 -0.04 -0.07 0.00 0.09 0.00 0.00 178.44 178.68 2khn h ALA 69 N 1.26 1.77 -0.15 1.53 0.00 -1.27 -0.69 119.26 121.70 2khn h ALA 69 Ca 0.14 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2khn h ALA 69 Cb 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2khn h ALA 69 CO -0.24 0.08 -0.68 1.96 0.00 0.00 0.00 179.25 180.36 2khn h GLN 70 N 0.00 0.73 -0.20 0.00 1.08 -1.12 -1.71 115.11 113.89 2khn h GLN 70 Ca -0.00 -0.58 -0.03 0.00 -1.45 0.00 0.00 58.65 56.59 2khn h GLN 70 Cb 0.12 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 2khn h GLN 70 CO 0.01 1.20 0.02 0.82 -0.95 0.00 0.00 178.83 179.92 2khn h ILE 71 N 0.44 1.24 -0.50 2.54 2.04 -0.38 -2.31 117.51 120.58 2khn h ILE 71 Ca -0.04 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 2khn h ILE 71 Cb 1.32 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 2khn h ILE 71 CO 0.14 0.24 0.22 -0.25 0.00 0.00 0.00 178.15 178.51 2khn h TRP 72 N 0.11 0.74 0.00 1.37 7.01 -1.21 0.77 115.95 124.75 2khn h TRP 72 Ca 0.06 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2khn h TRP 72 Cb 0.35 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 2khn h TRP 72 CO 0.03 0.60 0.00 0.00 -2.79 0.00 0.00 178.44 176.28 2khn n ALA 73 N -2.32 1.59 -0.07 2.65 0.00 -0.65 -2.38 120.51 119.34 2khn n ALA 73 Ca 0.02 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 2khn n ALA 73 Cb 0.14 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.91 1.30 0.00 0.00 4.77 -0.54 -4.58 117.00 116.05 2khn n LEU 74 Ca 0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2khn n LEU 74 Cb 0.18 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2khn n LEU 74 CO 0.16 0.62 0.37 0.00 -1.33 0.00 0.00 177.39 177.20 2khn n ALA 75 N -2.84 -0.36 -2.75 -1.18 0.00 0.15 -3.96 120.51 109.58 2khn n ALA 75 Ca -0.31 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 2khn n ALA 75 Cb 1.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.50 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 -2.21 6.52 0.55 0.00 -4.77 -1.22 -4.64 116.67 110.91 2khn s ASP 76 Ca 0.00 -1.65 0.26 0.00 -3.30 0.00 0.00 52.55 47.86 2khn s ASP 76 Cb 0.00 -2.48 1.45 0.00 -1.09 0.00 0.00 42.92 40.80 2khn s ASP 76 CO 0.00 -1.31 2.01 0.24 0.70 0.00 0.00 175.17 176.81 2khn h MET 77 N 9.35 0.00 0.00 2.11 2.86 -1.81 0.55 114.93 127.99 2khn h MET 77 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2khn h MET 77 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2khn h MET 77 CO 1.26 0.00 0.00 -1.71 1.06 0.00 0.00 176.91 177.52 2khn n ASN 78 N -4.20 0.37 -3.42 1.22 5.15 -1.26 -4.93 115.26 108.19 2khn n ASN 78 Ca 0.07 0.58 -0.16 0.00 -0.60 0.00 0.00 54.58 54.47 2khn n ASN 78 Cb 0.54 -0.66 0.02 0.00 -0.53 0.00 0.00 39.78 39.14 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 -1.90 -6.32 0.00 1.20 4.05 0.19 -4.93 115.26 107.56 2khn n ASN 79 Ca 0.03 -0.61 0.00 0.00 0.45 0.00 0.00 54.58 54.46 2khn n ASN 79 Cb 0.24 -3.92 -0.11 0.00 1.23 0.00 0.00 39.78 37.23 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 -2.37 0.56 0.00 1.20 2.03 -1.26 -4.98 116.55 111.73 2khn n ASP 80 Ca -0.11 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2khn n ASP 80 Cb 0.58 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 41.61 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 0.93 0.09 0.27 0.00 -1.26 -4.94 105.19 101.71 2khn n GLY 81 Ca -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.15 0.00 -2.74 1.61 1.74 -1.26 -1.66 116.66 113.19 2khn n ARG 82 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 2khn n ARG 82 Cb 0.29 -0.59 -0.01 0.00 -1.02 0.00 0.00 32.46 31.13 2khn n ARG 82 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 2khn n MET 83 N -1.78 -3.43 -0.08 5.56 0.00 -1.26 -2.91 117.12 113.22 2khn n MET 83 Ca 0.00 2.75 0.00 0.00 -0.00 0.00 0.00 57.70 60.45 2khn n MET 83 Cb 0.12 -5.07 0.00 0.00 0.00 0.00 0.00 33.22 28.27 2khn n MET 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2khn n ASP 84 N 0.87 0.00 0.09 6.12 9.92 -1.26 -4.64 116.55 127.65 2khn n ASP 84 Ca -0.05 -0.62 -0.01 0.00 -0.53 0.00 0.00 54.79 53.58 2khn n ASP 84 Cb 0.10 0.00 0.27 0.00 -0.64 0.00 0.00 41.12 40.85 2khn n ASP 84 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2khn h GLN 85 N 0.00 0.26 0.11 -1.24 1.08 -1.96 0.17 115.11 113.52 2khn h GLN 85 Ca 0.00 -0.10 -0.27 0.00 -1.45 0.00 0.00 58.65 56.83 2khn h GLN 85 Cb 0.00 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2khn h GLN 85 CO 0.00 0.56 -1.19 -0.24 -0.95 0.00 0.00 178.83 177.00 2khn h VAL 86 N 0.22 1.41 -0.42 -0.54 3.04 -1.99 -1.58 116.25 116.40 2khn h VAL 86 Ca 0.03 -2.74 -0.11 0.00 -1.01 0.00 0.00 66.70 62.86 2khn h VAL 86 Cb 0.69 2.77 -0.01 0.00 -2.01 0.00 0.00 31.29 32.73 2khn h VAL 86 CO 0.05 0.81 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.93 2khn h GLU 87 N 0.16 0.86 -0.03 4.17 3.07 -1.74 -2.36 114.58 118.71 2khn h GLU 87 Ca -0.14 -0.36 -0.06 0.00 -0.50 0.00 0.00 59.36 58.30 2khn h GLU 87 Cb 1.88 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.75 2khn h GLU 87 CO 0.21 1.00 -0.25 0.35 -1.40 0.00 0.00 179.01 178.92 2khn h PHE 88 N 0.68 0.05 -0.46 4.33 3.57 -0.73 -2.94 116.94 121.44 2khn h PHE 88 Ca 0.10 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2khn h PHE 88 Cb 0.72 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2khn h PHE 88 CO 0.05 0.30 0.12 0.77 -2.23 0.00 0.00 178.31 177.32 2khn h SER 89 N 0.05 0.69 1.12 0.41 0.02 -0.79 -2.66 113.55 112.39 2khn h SER 89 Ca 0.01 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2khn h SER 89 Cb 0.47 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2khn h SER 89 CO 0.03 0.74 0.00 -0.29 -1.14 0.00 0.00 176.83 176.17 2khn h ILE 90 N 0.61 0.00 0.00 3.27 2.10 -1.29 -2.67 117.51 119.54 2khn h ILE 90 Ca 0.15 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 65.54 2khn h ILE 90 Cb 0.31 1.53 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 2khn h ILE 90 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 2khn n ALA 91 N -2.07 2.00 -0.32 0.18 0.00 -1.01 -3.40 120.51 115.90 2khn n ALA 91 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2khn n ALA 91 Cb 0.33 -1.43 0.13 0.00 0.00 0.00 0.00 19.45 18.47 2khn n ALA 91 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2khn h MET 92 N 0.00 1.01 0.00 0.00 1.85 -1.51 -0.62 114.93 115.66 2khn h MET 92 Ca 0.00 -0.06 -0.13 0.00 -0.61 0.00 0.00 59.70 58.90 2khn h MET 92 Cb 0.57 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 32.35 2khn h MET 92 CO 0.00 0.67 -0.62 0.87 -0.40 0.00 0.00 176.91 177.43 2khn h LYS 93 N 1.04 0.00 0.08 0.39 1.79 -1.79 -3.33 116.57 114.75 2khn h LYS 93 Ca 0.37 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.83 2khn h LYS 93 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2khn h LYS 93 CO -0.15 0.60 -0.04 1.25 -1.08 0.00 0.00 179.45 180.03 2khn h LEU 94 N 0.00 -0.09 -0.89 2.94 5.85 -1.35 -2.98 115.31 118.78 2khn h LEU 94 Ca -0.01 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.27 2khn h LEU 94 Cb 1.47 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.46 2khn h LEU 94 CO 0.08 0.52 0.55 0.40 -0.34 0.00 0.00 178.44 179.65 2khn h ILE 95 N -0.78 1.04 -0.20 4.05 1.08 -1.32 0.19 117.51 121.56 2khn h ILE 95 Ca -0.01 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 2khn h ILE 95 Cb 0.59 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 2khn h ILE 95 CO 0.02 0.18 0.10 0.50 -0.69 0.00 0.00 178.15 178.26 2khn h LYS 96 N 0.99 0.29 0.00 2.37 3.64 -1.67 -1.34 116.57 120.85 2khn h LYS 96 Ca 0.39 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2khn h LYS 96 Cb 0.19 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2khn h LYS 96 CO -0.18 0.30 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.08 2khn h LEU 97 N 0.21 0.00 -0.48 5.20 -0.00 -1.27 -2.02 115.31 116.95 2khn h LEU 97 Ca 0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.78 2khn h LEU 97 Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2khn h LEU 97 CO -0.01 0.15 -0.58 0.11 -0.00 0.00 0.00 178.44 178.10 2khn h LYS 98 N 0.00 0.56 0.00 1.13 1.79 -0.42 -1.90 116.57 117.72 2khn h LYS 98 Ca -0.00 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2khn h LYS 98 Cb 0.68 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2khn h LYS 98 CO 0.02 0.98 0.00 1.28 -1.08 0.00 0.00 179.45 180.65 2khn n LEU 99 N -3.94 0.24 0.03 2.94 4.77 -0.56 -2.57 117.00 117.91 2khn n LEU 99 Ca -0.04 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 2khn n LEU 99 Cb 0.63 -0.47 0.36 0.00 -2.33 0.00 0.00 43.42 41.60 2khn n LEU 99 CO 0.48 -0.13 0.62 0.00 -1.33 0.00 0.00 177.39 177.02 2khn n GLN 100 N -1.73 0.10 0.00 3.23 1.13 -0.80 -4.94 117.38 114.37 2khn n GLN 100 Ca 0.06 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 2khn n GLN 100 Cb 0.32 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 29.09 2khn n GLN 100 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2khn n GLY 101 N 1.44 0.60 3.84 1.08 0.00 -1.06 -5.08 105.19 106.01 2khn n GLY 101 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2khn n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2khn s TYR 102 N -2.00 3.35 0.33 1.61 2.02 -0.76 -5.01 117.35 116.89 2khn s TYR 102 Ca 0.00 1.41 0.07 0.00 -0.37 0.00 0.00 57.07 58.18 2khn s TYR 102 Cb 0.00 -2.69 -0.07 0.00 -0.40 0.00 0.00 41.96 38.80 2khn s TYR 102 CO 0.00 -0.02 -0.03 1.14 -1.57 0.00 0.00 175.55 175.07 2khn s GLN 103 N -3.13 1.73 0.04 -0.62 1.03 -1.26 -4.12 119.66 113.32 2khn s GLN 103 Ca 0.58 -1.92 -0.17 0.00 0.04 0.00 0.00 55.36 53.89 2khn s GLN 103 Cb -0.10 -1.33 0.03 0.00 0.03 0.00 0.00 33.01 31.64 2khn s GLN 103 CO 0.16 -0.01 0.37 -0.51 -2.54 0.00 0.00 175.29 172.77 2khn s LEU 104 N -3.55 0.57 0.00 2.60 1.43 -1.26 -5.11 118.68 113.36 2khn s LEU 104 Ca 0.33 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2khn s LEU 104 Cb 0.06 1.59 0.00 0.00 0.03 0.00 0.00 46.19 47.87 2khn s LEU 104 CO 0.15 -0.63 0.00 -2.65 0.23 0.00 0.00 176.35 173.45 2khn n PRO 105 N 0.61 0.52 -0.06 1.29 -0.02 -1.26 -4.92 135.00 131.15 2khn n PRO 105 Ca -0.19 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.32 2khn n PRO 105 Cb 0.59 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.16 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 -1.08 0.68 -4.01 2.55 7.64 -1.26 -4.69 113.62 113.45 2khn n SER 106 Ca 0.00 -1.97 -0.31 0.00 1.01 0.00 0.00 58.87 57.61 2khn n SER 106 Cb 0.00 -0.08 -0.16 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.84 1.98 0.29 -0.43 0.00 -1.26 -4.76 121.76 115.74 2khn s ALA 107 Ca 0.10 -1.11 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 2khn s ALA 107 Cb 0.05 -1.20 -0.09 0.00 0.00 0.00 0.00 23.12 21.88 2khn s ALA 107 CO 0.07 -0.65 0.81 -0.51 0.00 0.00 0.00 175.76 175.48 2khn s LEU 108 N 1.42 4.24 0.74 0.00 1.43 -1.26 -5.05 118.68 120.19 2khn s LEU 108 Ca 0.01 1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 2khn s LEU 108 Cb -0.15 -3.90 0.04 0.00 0.03 0.00 0.00 46.19 42.21 2khn s LEU 108 CO -0.09 -0.09 1.24 -2.16 0.23 0.00 0.00 176.35 175.48 2khn s PRO 109 N -2.34 2.03 0.00 1.29 0.04 -1.26 -4.87 135.00 129.89 2khn s PRO 109 Ca 0.49 1.87 0.06 0.00 0.04 0.00 0.00 61.00 63.46 2khn s PRO 109 Cb -0.15 -1.81 0.29 0.00 0.04 0.00 0.00 34.50 32.87 2khn s PRO 109 CO 0.20 -1.94 1.18 -2.30 0.04 0.00 0.00 177.00 174.18 2khn n PRO 110 N -2.72 0.02 0.12 0.56 -0.02 -1.26 -2.34 135.00 129.36 2khn n PRO 110 Ca 0.14 0.36 -0.19 0.00 -2.02 0.00 0.00 63.50 61.80 2khn n PRO 110 Cb 0.50 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.33 2khn n PRO 110 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2khn h VAL 111 N 0.00 1.44 0.04 -1.45 2.07 -1.89 -0.93 116.25 115.52 2khn h VAL 111 Ca 0.00 -2.96 -0.00 0.00 0.82 0.00 0.00 66.70 64.56 2khn h VAL 111 Cb 0.10 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2khn h VAL 111 CO 0.00 0.87 -0.02 0.24 0.02 0.00 0.00 177.57 178.68 2khn h MET 112 N 0.10 -0.05 0.00 1.57 2.86 -1.57 -3.26 114.93 114.58 2khn h MET 112 Ca -0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2khn h MET 112 Cb 2.03 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.70 2khn h MET 112 CO 0.23 0.60 0.00 0.36 1.06 0.00 0.00 176.91 179.15 2khn n LYS 113 N -4.78 0.25 0.00 1.72 -0.00 -1.23 -4.63 118.16 109.49 2khn n LYS 113 Ca -0.09 0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 2khn n LYS 113 Cb 0.33 -1.84 0.00 0.00 -0.00 0.00 0.00 35.03 33.52 2khn n LYS 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2khn n GLN 114 N -2.28 0.00 -4.26 -1.58 6.02 -0.35 -4.27 117.38 110.66 2khn n GLN 114 Ca 0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.70 2khn n GLN 114 Cb 0.37 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.47 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 3.11 -0.02 -1.09 0.74 -1.26 -4.88 119.66 116.25 2khn s GLN 115 Ca 0.00 -0.78 -0.30 0.00 0.05 0.00 0.00 55.36 54.33 2khn s GLN 115 Cb 0.00 -2.63 -0.06 0.00 1.10 0.00 0.00 33.01 31.42 2khn s GLN 115 CO 0.00 -0.13 1.50 -1.25 -0.55 0.00 0.00 175.29 174.86 2khn s PRO 116 N 1.14 4.23 -1.12 1.67 0.04 -1.24 -4.42 135.00 135.30 2khn s PRO 116 Ca 0.01 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 2khn s PRO 116 Cb -0.14 -3.72 0.10 0.00 0.04 0.00 0.00 34.50 30.78 2khn s PRO 116 CO -0.07 -0.69 1.46 0.14 0.04 0.00 0.00 177.00 177.87 2khn s VAL 117 N 3.03 4.42 0.00 -0.36 -7.23 -1.26 -4.81 120.40 114.19 2khn s VAL 117 Ca 0.67 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 2khn s VAL 117 Cb -0.32 -5.00 0.00 0.00 0.56 0.00 0.00 36.38 31.62 2khn s VAL 117 CO 0.27 -1.79 0.00 0.00 -0.31 0.00 0.00 175.10 173.27 2khn n ALA 118 N 7.47 0.00 -2.71 1.32 0.00 -1.26 -5.14 120.51 120.19 2khn n ALA 118 Ca 0.36 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.43 2khn n ALA 118 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 2khn n ALA 118 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2khn s ILE 119 N -0.78 5.26 0.34 0.00 2.07 -1.26 -5.08 121.20 121.75 2khn s ILE 119 Ca 0.00 0.64 -0.01 0.00 -1.41 0.00 0.00 60.65 59.87 2khn s ILE 119 Cb 0.00 -3.68 -0.04 0.00 0.13 0.00 0.00 42.46 38.87 2khn s ILE 119 CO 0.00 0.34 0.56 -0.44 -1.91 0.00 0.00 174.94 173.49 2khn s SER 120 N 0.68 6.33 0.00 4.50 0.01 -1.26 -5.29 113.70 118.67 2khn s SER 120 Ca 0.18 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.99 2khn s SER 120 Cb -0.14 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2khn s SER 120 CO 0.06 -0.29 0.00 -0.24 0.41 0.00 0.00 173.24 173.18