#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkc h LYS 3 N 0.00 0.87 -0.62 -0.78 1.57 -1.99 -2.18 116.57 113.43 1wkc h LYS 3 Ca 0.00 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1wkc h LYS 3 Cb 0.00 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.09 1wkc h LYS 3 CO 0.00 0.65 0.35 0.00 -0.57 0.00 0.00 179.45 179.88 1wkc h ALA 4 N 1.49 0.82 -0.49 3.86 0.00 -2.02 -1.10 119.26 121.82 1wkc h ALA 4 Ca 0.22 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1wkc h ALA 4 Cb 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1wkc h ALA 4 CO -0.03 0.04 0.05 0.93 0.00 0.00 0.00 179.25 180.24 1wkc h GLU 5 N 0.66 0.78 -0.21 0.00 5.08 -1.93 -2.79 114.58 116.17 1wkc h GLU 5 Ca 0.27 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1wkc h GLU 5 Cb 0.14 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wkc h GLU 5 CO -0.16 0.75 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.14 1wkc h LEU 6 N 0.74 0.51 -0.74 1.33 3.38 -0.78 -2.69 115.31 117.05 1wkc h LEU 6 Ca 0.15 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1wkc h LEU 6 Cb 0.37 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1wkc h LEU 6 CO 0.01 0.85 -0.16 0.03 0.09 0.00 0.00 178.44 179.26 1wkc h ARG 7 N 0.40 0.79 -0.71 1.13 3.08 -1.11 0.41 114.38 118.38 1wkc h ARG 7 Ca 0.04 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1wkc h ARG 7 Cb 0.86 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1wkc h ARG 7 CO 0.07 0.90 0.43 -0.09 -1.07 0.00 0.00 179.97 180.21 1wkc h ARG 8 N 0.71 0.96 -0.59 0.04 2.43 -1.33 -1.09 114.38 115.50 1wkc h ARG 8 Ca 0.11 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1wkc h ARG 8 Cb 0.66 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1wkc h ARG 8 CO 0.05 0.68 0.05 -0.09 -1.51 0.00 0.00 179.97 179.15 1wkc h ARG 9 N 0.97 1.00 -0.43 0.20 2.43 -1.13 -2.18 114.38 115.23 1wkc h ARG 9 Ca 0.25 -0.28 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1wkc h ARG 9 Cb -0.03 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1wkc h ARG 9 CO -0.05 0.95 -0.13 0.00 -1.51 0.00 0.00 179.97 179.23 1wkc h ALA 10 N 1.12 0.60 -0.55 2.80 0.00 -0.60 -2.37 119.26 120.24 1wkc h ALA 10 Ca 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1wkc h ALA 10 Cb 0.47 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1wkc h ALA 10 CO 0.02 0.51 0.36 0.00 0.00 0.00 0.00 179.25 180.14 1wkc h ARG 11 N 0.68 0.72 -0.95 0.00 3.08 -1.05 -0.22 114.38 116.64 1wkc h ARG 11 Ca 0.11 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.18 1wkc h ARG 11 Cb 0.68 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 1wkc h ARG 11 CO 0.05 0.48 0.60 0.00 -1.07 0.00 0.00 179.97 180.03 1wkc h ALA 12 N 1.21 1.31 -0.50 0.04 0.00 -1.27 -2.13 119.26 117.92 1wkc h ALA 12 Ca 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1wkc h ALA 12 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1wkc h ALA 12 CO -0.05 0.38 0.07 0.00 0.00 0.00 0.00 179.25 179.65 1wkc h ALA 13 N 1.43 0.67 -0.16 0.00 0.00 -0.91 -2.86 119.26 117.44 1wkc h ALA 13 Ca 0.41 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1wkc h ALA 13 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wkc h ALA 13 CO -0.17 0.42 -0.02 -1.49 0.00 0.00 0.00 179.25 177.99 1wkc h TRP 14 N 0.72 0.24 0.00 0.00 4.06 -0.67 -2.80 115.95 117.50 1wkc h TRP 14 Ca 0.15 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.09 1wkc h TRP 14 Cb 0.42 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.50 1wkc h TRP 14 CO 0.03 0.27 -0.07 0.07 -3.56 0.00 0.00 178.44 175.18 1wkc h ARG 15 N 0.23 0.00 -0.00 0.49 0.11 -1.16 -2.86 114.38 111.19 1wkc h ARG 15 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1wkc h ARG 15 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1wkc h ARG 15 CO 0.01 0.00 -0.12 2.89 0.10 0.00 0.00 179.97 182.85 1wkc n ARG 16 N -2.37 0.35 -4.17 0.08 1.85 -1.06 -4.92 116.66 106.42 1wkc n ARG 16 Ca 0.05 -0.09 -0.23 0.00 -1.00 0.00 0.00 57.85 56.58 1wkc n ARG 16 Cb 0.45 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.29 1wkc n ARG 16 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1wkc s LEU 17 N -2.72 3.31 -0.59 2.89 0.05 -1.08 -5.10 118.68 115.44 1wkc s LEU 17 Ca 0.22 -0.66 -0.20 0.00 0.05 0.00 0.00 54.13 53.54 1wkc s LEU 17 Cb 0.19 -1.81 0.09 0.00 -2.05 0.00 0.00 46.19 42.61 1wkc s LEU 17 CO 0.52 -0.16 0.75 -0.62 -0.55 0.00 0.00 176.35 176.29 1wkc s ASP 18 N -3.78 6.19 0.18 1.48 -1.08 -1.26 -4.95 116.67 113.45 1wkc s ASP 18 Ca 0.35 -1.21 -0.11 0.00 -0.52 0.00 0.00 52.55 51.05 1wkc s ASP 18 Cb -0.05 -2.33 0.08 0.00 -1.46 0.00 0.00 42.92 39.17 1wkc s ASP 18 CO 0.22 -1.14 1.71 0.25 0.52 0.00 0.00 175.17 176.73 1wkc h LEU 19 N 10.22 0.88 -0.46 -1.34 5.85 -1.98 -0.83 115.31 127.65 1wkc h LEU 19 Ca -0.29 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1wkc h LEU 19 Cb 1.08 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1wkc h LEU 19 CO 1.09 0.84 0.27 0.50 -0.34 0.00 0.00 178.44 180.80 1wkc h LYS 20 N 0.88 0.52 -0.22 1.25 3.64 -1.95 0.72 116.57 121.40 1wkc h LYS 20 Ca 0.20 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1wkc h LYS 20 Cb 0.26 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1wkc h LYS 20 CO -0.01 0.35 -0.25 0.00 -2.27 0.00 0.00 179.45 177.27 1wkc h ALA 21 N 1.21 0.32 -0.08 5.00 0.00 -1.93 -1.82 119.26 121.97 1wkc h ALA 21 Ca 0.19 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1wkc h ALA 21 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wkc h ALA 21 CO -0.09 0.30 -0.36 -0.07 0.00 0.00 0.00 179.25 179.03 1wkc h LEU 22 N 0.24 0.16 -0.47 0.00 -0.00 -1.03 -0.58 115.31 113.62 1wkc h LEU 22 Ca 0.03 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1wkc h LEU 22 Cb 0.81 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.40 1wkc h LEU 22 CO 0.06 0.51 0.28 0.28 -0.00 0.00 0.00 178.44 179.57 1wkc h SER 23 N 0.14 0.57 -0.40 -0.43 0.02 -0.56 0.32 113.55 113.22 1wkc h SER 23 Ca 0.02 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 1wkc h SER 23 Cb 0.70 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1wkc h SER 23 CO 0.05 0.47 -0.09 0.03 -1.14 0.00 0.00 176.83 176.15 1wkc h ARG 24 N 0.63 0.77 -0.41 3.45 3.08 -0.86 -1.25 114.38 119.78 1wkc h ARG 24 Ca 0.17 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 1wkc h ARG 24 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1wkc h ARG 24 CO -0.03 0.90 -0.04 0.00 -1.07 0.00 0.00 179.97 179.73 1wkc h ALA 25 N 0.85 0.56 -0.45 0.04 0.00 -0.54 -1.51 119.26 118.21 1wkc h ALA 25 Ca 0.10 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1wkc h ALA 25 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1wkc h ALA 25 CO 0.04 0.38 0.01 0.28 0.00 0.00 0.00 179.25 179.96 1wkc h VAL 26 N 0.58 1.26 -0.79 0.00 2.07 -0.91 -1.56 116.25 116.90 1wkc h VAL 26 Ca 0.11 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1wkc h VAL 26 Cb 0.54 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1wkc h VAL 26 CO 0.03 0.35 0.47 1.23 0.02 0.00 0.00 177.57 179.67 1wkc h GLY 27 N 0.63 1.15 1.00 2.17 0.00 -1.11 -1.84 103.07 105.07 1wkc h GLY 27 Ca 0.13 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1wkc h GLY 27 CO 0.02 0.47 0.12 0.00 0.00 0.00 0.00 176.54 177.14 1wkc h ALA 28 N 1.25 0.71 0.00 3.60 0.00 -1.17 -2.92 119.26 120.74 1wkc h ALA 28 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wkc h ALA 28 Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1wkc h ALA 28 CO -0.05 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1wkc h ALA 29 N 1.00 1.00 0.00 0.00 0.00 -0.97 -2.49 119.26 117.81 1wkc h ALA 29 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1wkc h ALA 29 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wkc h ALA 29 CO 0.00 0.00 -0.43 -0.07 0.00 0.00 0.00 179.25 178.75 1wkc h LEU 30 N 0.00 0.00 -0.54 0.00 3.38 -1.14 -3.38 115.31 113.63 1wkc h LEU 30 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1wkc h LEU 30 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1wkc h LEU 30 CO 0.00 0.43 0.27 0.25 0.09 0.00 0.00 178.44 179.49 1wkc h LEU 31 N 0.00 0.69 -1.10 1.67 5.85 -1.44 -1.85 115.31 119.12 1wkc h LEU 31 Ca -0.00 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1wkc h LEU 31 Cb 0.90 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1wkc h LEU 31 CO 0.06 0.61 0.61 -0.65 -0.34 0.00 0.00 178.44 178.72 1wkc h PRO 32 N 0.72 1.03 -0.32 5.25 0.11 -1.78 -0.73 132.00 136.28 1wkc h PRO 32 Ca 0.19 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 1wkc h PRO 32 Cb 0.09 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1wkc h PRO 32 CO -0.03 0.68 -0.02 2.35 -0.21 0.00 0.00 178.00 180.78 1wkc h TRP 33 N 1.06 0.64 -0.48 0.65 7.01 -1.69 -0.47 115.95 122.67 1wkc h TRP 33 Ca 0.41 -0.12 0.01 0.00 2.11 0.00 0.00 58.89 61.30 1wkc h TRP 33 Cb 0.22 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.09 1wkc h TRP 33 CO -0.00 0.71 0.30 -0.07 -2.79 0.00 0.00 178.44 176.60 1wkc h LEU 34 N 0.37 0.51 -0.45 0.65 3.38 -0.78 -0.55 115.31 118.44 1wkc h LEU 34 Ca 0.09 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1wkc h LEU 34 Cb 0.47 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1wkc h LEU 34 CO 0.02 0.37 0.14 0.03 0.09 0.00 0.00 178.44 179.09 1wkc h ARG 35 N 0.61 0.70 -0.51 1.13 3.08 -1.05 0.83 114.38 119.17 1wkc h ARG 35 Ca 0.18 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1wkc h ARG 35 Cb -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1wkc h ARG 35 CO -0.06 0.67 0.28 0.93 -1.07 0.00 0.00 179.97 180.72 1wkc h GLU 36 N 0.59 0.71 0.00 0.04 5.08 -0.82 -2.70 114.58 117.48 1wkc h GLU 36 Ca 0.15 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1wkc h GLU 36 Cb 0.26 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1wkc h GLU 36 CO -0.01 0.55 -0.35 0.00 -1.00 0.00 0.00 179.01 178.20 1wkc h ARG 37 N 0.68 0.00 -4.25 2.33 2.47 -1.04 -3.48 114.38 111.09 1wkc h ARG 37 Ca 0.18 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.56 1wkc h ARG 37 Cb 0.04 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 28.44 1wkc h ARG 37 CO -0.03 0.35 -0.53 0.41 0.56 0.00 0.00 179.97 180.73 1wkc n GLY 38 N 0.62 -0.31 3.74 0.04 0.00 0.28 -4.94 105.19 104.61 1wkc n GLY 38 Ca 0.01 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1wkc n GLY 38 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wkc n PHE 39 N -4.41 2.59 -0.00 1.61 3.72 -1.21 -4.92 117.46 114.83 1wkc n PHE 39 Ca -0.06 0.48 0.02 0.00 -0.05 0.00 0.00 57.45 57.84 1wkc n PHE 39 Cb 0.58 -2.46 -0.04 0.00 -0.94 0.00 0.00 39.48 36.63 1wkc n PHE 39 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1wkc n ARG 40 N 0.21 0.46 -3.66 -1.08 1.74 -1.26 -4.92 116.66 108.15 1wkc n ARG 40 Ca 0.04 -0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1wkc n ARG 40 Cb 0.39 -1.11 -0.15 0.00 -1.02 0.00 0.00 32.46 30.57 1wkc n ARG 40 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1wkc s HIS 41 N -2.31 1.10 -0.11 -1.55 3.76 -1.26 -1.56 115.29 113.37 1wkc s HIS 41 Ca -0.02 -1.33 0.02 0.00 -0.15 0.00 0.00 55.06 53.58 1wkc s HIS 41 Cb 0.03 -1.34 -0.01 0.00 1.11 0.00 0.00 32.58 32.37 1wkc s HIS 41 CO 0.20 -0.84 -0.20 0.42 -0.85 0.00 0.00 174.74 173.47 1wkc s ILE 42 N 1.83 2.45 -0.30 0.60 1.01 -0.11 -0.81 121.20 125.88 1wkc s ILE 42 Ca 0.09 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 59.67 1wkc s ILE 42 Cb -0.17 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1wkc s ILE 42 CO -0.29 0.55 0.56 -0.22 0.00 0.00 0.00 174.94 175.54 1wkc s LEU 43 N 0.33 4.16 0.00 2.97 2.96 -0.23 -1.19 118.68 127.67 1wkc s LEU 43 Ca -0.15 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1wkc s LEU 43 Cb -0.17 -2.71 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1wkc s LEU 43 CO 0.08 -0.42 0.00 0.18 -1.32 0.00 0.00 176.35 174.87 1wkc n LEU 44 N 5.74 0.00 -3.49 -0.68 4.77 -0.09 -1.14 117.00 122.11 1wkc n LEU 44 Ca -0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 1wkc n LEU 44 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1wkc n LEU 44 CO 0.44 0.00 0.36 -0.72 -1.33 0.00 0.00 177.39 176.14 1wkc s TYR 45 N 3.37 -0.51 -0.16 -1.77 -0.85 -1.26 -4.34 117.35 111.84 1wkc s TYR 45 Ca 0.00 0.45 -0.24 0.00 -0.52 0.00 0.00 57.07 56.76 1wkc s TYR 45 Cb 0.00 0.46 -0.02 0.00 0.38 0.00 0.00 41.96 42.78 1wkc s TYR 45 CO 0.00 -0.76 0.78 -1.58 -1.52 0.00 0.00 175.55 172.48 1wkc s HIS 46 N -3.07 3.44 0.01 -3.49 5.65 -1.26 -4.80 115.29 111.76 1wkc s HIS 46 Ca -0.02 1.20 -0.30 0.00 0.25 0.00 0.00 55.06 56.19 1wkc s HIS 46 Cb -0.00 -2.95 -0.06 0.00 -1.18 0.00 0.00 32.58 28.39 1wkc s HIS 46 CO -0.07 -0.18 1.38 -1.25 -0.65 0.00 0.00 174.74 173.97 1wkc s PRO 47 N 1.92 4.30 0.33 2.88 0.04 -1.26 -5.03 135.00 138.18 1wkc s PRO 47 Ca 0.37 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.40 1wkc s PRO 47 Cb -0.17 -3.53 0.04 0.00 0.04 0.00 0.00 34.50 30.88 1wkc s PRO 47 CO 0.13 -0.54 0.32 1.28 0.04 0.00 0.00 177.00 178.22 1wkc n LEU 48 N 5.17 0.00 -4.76 -3.56 4.77 -1.26 -5.06 117.00 112.30 1wkc n LEU 48 Ca 0.13 -1.64 -0.33 0.00 -0.03 0.00 0.00 56.01 54.13 1wkc n LEU 48 Cb 0.44 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1wkc n LEU 48 CO 0.58 -0.51 0.76 -2.84 -1.33 0.00 0.00 177.39 174.06 1wkc s PRO 49 N -3.41 2.65 -1.50 3.23 0.02 -1.26 -3.00 135.00 131.73 1wkc s PRO 49 Ca 0.24 1.51 -0.12 0.00 0.02 0.00 0.00 61.00 62.65 1wkc s PRO 49 Cb -0.02 -1.92 0.07 0.00 0.02 0.00 0.00 34.50 32.65 1wkc s PRO 49 CO 0.15 -1.39 0.97 0.72 -0.33 0.00 0.00 177.00 177.12 1wkc n HIS 50 N -2.42 -2.30 -3.88 6.54 8.25 -1.26 -4.99 115.22 115.16 1wkc n HIS 50 Ca 0.11 0.91 -0.11 0.00 -0.26 0.00 0.00 57.72 58.37 1wkc n HIS 50 Cb 0.51 -4.10 -0.12 0.00 1.12 0.00 0.00 29.99 27.40 1wkc n HIS 50 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1wkc s GLU 51 N -6.53 0.22 0.10 -0.41 2.02 -1.16 -4.55 118.70 108.39 1wkc s GLU 51 Ca 0.58 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.13 1wkc s GLU 51 Cb -0.29 0.09 -0.06 0.00 0.10 0.00 0.00 34.13 33.97 1wkc s GLU 51 CO 0.82 -0.04 1.21 -0.51 0.02 0.00 0.00 175.26 176.76 1wkc s LEU 52 N -0.57 4.39 -0.59 1.80 1.43 -1.26 -4.74 118.68 119.15 1wkc s LEU 52 Ca -0.06 2.09 -0.28 0.00 -1.03 0.00 0.00 54.13 54.85 1wkc s LEU 52 Cb -0.04 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.62 1wkc s LEU 52 CO 0.00 -0.45 1.18 0.21 0.23 0.00 0.00 176.35 177.53 1wkc s ASN 53 N 0.80 6.42 -0.03 2.29 2.47 -1.26 -4.81 114.94 120.83 1wkc s ASN 53 Ca 0.57 0.04 0.15 0.00 0.42 0.00 0.00 52.86 54.04 1wkc s ASN 53 Cb -0.31 -2.55 0.45 0.00 -1.45 0.00 0.00 41.25 37.40 1wkc s ASN 53 CO 0.31 -1.49 1.38 0.18 -3.72 0.00 0.00 177.10 173.76 1wkc n LEU 54 N 8.45 3.46 -0.09 3.21 4.77 -1.26 -4.52 117.00 131.01 1wkc n LEU 54 Ca 0.08 -2.13 0.20 0.00 -0.03 0.00 0.00 56.01 54.12 1wkc n LEU 54 Cb 0.49 -0.36 0.63 0.00 -2.33 0.00 0.00 43.42 41.86 1wkc n LEU 54 CO 0.71 0.80 1.21 -0.07 -1.33 0.00 0.00 177.39 178.71 1wkc h LEU 55 N 2.77 0.13 -0.46 2.23 4.07 -1.88 -0.95 115.31 121.22 1wkc h LEU 55 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1wkc h LEU 55 Cb 0.93 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1wkc h LEU 55 CO 0.04 0.06 0.00 -2.65 -1.08 0.00 0.00 178.44 174.82 1wkc n PRO 56 N -4.39 0.06 0.00 1.13 -0.02 -1.26 -4.44 135.00 126.07 1wkc n PRO 56 Ca 0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1wkc n PRO 56 Cb 0.65 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1wkc n PRO 56 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1wkc n LEU 57 N -1.78 0.00 0.00 2.45 4.77 -0.36 -3.01 117.00 119.06 1wkc n LEU 57 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1wkc n LEU 57 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1wkc n LEU 57 CO 0.07 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.29 1wkc n GLU 59 N 1.48 0.00 0.11 3.23 0.28 -1.26 -0.42 120.64 124.05 1wkc n GLU 59 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1wkc n GLU 59 Cb 0.00 0.00 0.04 0.00 1.43 0.00 0.00 31.44 32.91 1wkc n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wkc h ALA 60 N 0.00 0.65 -2.67 -1.84 0.00 -1.91 -3.39 119.26 110.11 1wkc h ALA 60 Ca 0.00 -0.68 -0.60 0.00 0.00 0.00 0.00 54.91 53.63 1wkc h ALA 60 Cb 0.00 -0.12 -0.39 0.00 0.00 0.00 0.00 17.79 17.28 1wkc h ALA 60 CO 0.00 0.94 -0.83 -0.47 0.00 0.00 0.00 179.25 178.89 1wkc s TYR 61 N -3.11 1.66 0.19 0.00 5.04 0.43 -5.11 117.35 116.46 1wkc s TYR 61 Ca 0.01 -2.41 -0.33 0.00 -2.44 0.00 0.00 57.07 51.90 1wkc s TYR 61 Cb 0.11 -1.45 -0.13 0.00 0.35 0.00 0.00 41.96 40.83 1wkc s TYR 61 CO 0.78 -0.77 1.55 -2.30 -1.34 0.00 0.00 175.55 173.47 1wkc n PRO 62 N 3.05 2.21 -3.74 4.97 -0.02 -1.26 -4.93 135.00 135.28 1wkc n PRO 62 Ca 0.20 0.79 -0.03 0.00 -2.02 0.00 0.00 63.50 62.45 1wkc n PRO 62 Cb 0.41 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.33 1wkc n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wkc s ALA 63 N 0.63 -1.74 -0.25 3.55 0.00 -1.26 -5.01 121.76 117.68 1wkc s ALA 63 Ca 0.75 0.19 -0.28 0.00 0.00 0.00 0.00 51.96 52.62 1wkc s ALA 63 Cb -0.64 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1wkc s ALA 63 CO 0.41 -1.05 1.00 1.03 0.00 0.00 0.00 175.76 177.15 1wkc s ARG 64 N -3.09 4.20 0.10 0.00 1.81 -0.60 -5.02 118.95 116.35 1wkc s ARG 64 Ca 0.13 1.21 0.05 0.00 -1.72 0.00 0.00 55.73 55.40 1wkc s ARG 64 Cb -0.00 -3.66 -0.04 0.00 -0.45 0.00 0.00 34.95 30.80 1wkc s ARG 64 CO 0.01 -0.65 -0.02 0.71 -0.68 0.00 0.00 175.30 174.67 1wkc s TYR 65 N 3.19 2.92 0.03 -0.53 1.51 -1.26 -0.93 117.35 122.28 1wkc s TYR 65 Ca 0.42 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 56.40 1wkc s TYR 65 Cb -0.15 -1.50 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1wkc s TYR 65 CO 0.08 0.47 -0.01 0.71 -1.11 0.00 0.00 175.55 175.69 1wkc s TYR 66 N -1.31 0.30 0.05 2.71 2.02 -0.33 -0.88 117.35 119.91 1wkc s TYR 66 Ca 0.25 -0.63 0.06 0.00 -0.37 0.00 0.00 57.07 56.38 1wkc s TYR 66 Cb -0.11 -0.22 -0.02 0.00 -0.40 0.00 0.00 41.96 41.20 1wkc s TYR 66 CO 0.17 -0.26 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.20 1wkc s LEU 67 N -1.88 2.18 0.38 -1.29 1.43 0.30 -0.91 118.68 118.89 1wkc s LEU 67 Ca -0.09 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 1wkc s LEU 67 Cb -0.05 -0.83 -0.08 0.00 0.03 0.00 0.00 46.19 45.26 1wkc s LEU 67 CO -0.03 0.10 0.81 -2.16 0.23 0.00 0.00 176.35 175.30 1wkc s PRO 68 N -1.24 3.97 -0.01 1.29 0.04 -1.26 -1.65 135.00 136.14 1wkc s PRO 68 Ca 0.05 0.72 0.05 0.00 0.04 0.00 0.00 61.00 61.86 1wkc s PRO 68 Cb -0.09 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1wkc s PRO 68 CO 0.02 0.02 -0.17 0.21 0.04 0.00 0.00 177.00 177.12 1wkc s LYS 69 N -3.38 1.40 0.06 4.56 2.20 -0.36 -4.92 119.74 119.29 1wkc s LYS 69 Ca 0.55 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 55.25 1wkc s LYS 69 Cb -0.10 -1.34 -0.05 0.00 -1.51 0.00 0.00 37.83 34.83 1wkc s LYS 69 CO 0.22 0.36 1.12 0.08 -0.36 0.00 0.00 175.35 176.78 1wkc s VAL 70 N -0.38 4.25 -0.28 4.02 1.01 -1.26 -1.20 120.40 126.57 1wkc s VAL 70 Ca 0.06 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1wkc s VAL 70 Cb -0.07 -4.06 0.15 0.00 0.00 0.00 0.00 36.38 32.40 1wkc s VAL 70 CO -0.01 0.15 0.37 0.00 0.00 0.00 0.00 175.10 175.62 1wkc s ALA 71 N 0.88 -1.01 0.00 5.51 0.00 -0.00 -4.95 121.76 122.19 1wkc s ALA 71 Ca 0.56 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1wkc s ALA 71 Cb -0.27 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1wkc s ALA 71 CO 0.29 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 174.86 1wkc n GLY 72 N 5.35 0.96 1.77 0.00 0.00 -1.26 -2.46 105.19 109.55 1wkc n GLY 72 Ca -0.01 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.50 1wkc n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wkc n LYS 73 N 12.41 4.66 -4.40 1.61 5.02 -1.26 -5.00 118.16 131.20 1wkc n LYS 73 Ca 0.00 -3.13 -0.22 0.00 -2.02 0.00 0.00 58.31 52.94 1wkc n LYS 73 Cb 0.00 -2.21 -0.11 0.00 -0.02 0.00 0.00 35.03 32.69 1wkc n LYS 73 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1wkc s GLY 74 N -0.93 1.61 -0.15 0.72 0.00 -1.03 -4.71 107.32 102.84 1wkc s GLY 74 Ca 0.53 -1.69 -0.08 0.00 0.00 0.00 0.00 44.72 43.48 1wkc s GLY 74 CO 0.15 -1.76 0.14 1.08 0.00 0.00 0.00 173.10 172.71 1wkc s LEU 75 N -3.13 4.33 0.27 0.66 1.43 -1.26 -0.82 118.68 120.16 1wkc s LEU 75 Ca 0.23 0.39 0.11 0.00 -1.03 0.00 0.00 54.13 53.83 1wkc s LEU 75 Cb -0.04 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 1wkc s LEU 75 CO 0.10 0.33 -0.13 0.42 0.23 0.00 0.00 176.35 177.30 1wkc s THR 76 N -0.53 2.84 -0.16 5.49 -4.23 -0.34 -4.92 115.64 113.79 1wkc s THR 76 Ca 0.13 -2.22 -0.02 0.00 -1.18 0.00 0.00 61.69 58.39 1wkc s THR 76 Cb -0.12 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1wkc s THR 76 CO 0.02 -0.39 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.93 1wkc s VAL 77 N -2.44 3.24 0.02 2.29 1.01 -1.25 -1.22 120.40 122.04 1wkc s VAL 77 Ca 0.31 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.78 1wkc s VAL 77 Cb -0.06 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1wkc s VAL 77 CO 0.17 0.49 -0.20 -1.00 0.00 0.00 0.00 175.10 174.56 1wkc s HIS 78 N 0.71 1.77 0.52 5.22 3.76 -0.66 -0.74 115.29 125.88 1wkc s HIS 78 Ca -0.04 -0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 54.30 1wkc s HIS 78 Cb -0.15 -1.09 -0.07 0.00 1.11 0.00 0.00 32.58 32.38 1wkc s HIS 78 CO 0.02 0.04 1.02 -2.30 -0.85 0.00 0.00 174.74 172.67 1wkc n PRO 79 N 2.15 1.18 -1.63 8.40 -0.02 -1.26 -0.54 135.00 143.28 1wkc n PRO 79 Ca -0.16 0.44 -0.50 0.00 -2.02 0.00 0.00 63.50 61.25 1wkc n PRO 79 Cb 0.53 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1wkc n PRO 79 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1wkc n PHE 80 N -1.16 1.84 -3.96 6.00 7.35 -0.06 -4.60 117.46 122.88 1wkc n PHE 80 Ca 0.11 0.48 0.01 0.00 -0.76 0.00 0.00 57.45 57.29 1wkc n PHE 80 Cb 0.44 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 37.85 1wkc n PHE 80 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1wkc n GLY 81 N 3.00 0.41 3.75 7.13 0.00 -1.26 -4.99 105.19 113.22 1wkc n GLY 81 Ca 0.19 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 1wkc n GLY 81 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wkc s PRO 82 N -2.00 2.96 0.49 1.61 0.02 -1.26 -4.90 135.00 131.91 1wkc s PRO 82 Ca 0.09 2.06 0.05 0.00 0.02 0.00 0.00 61.00 63.22 1wkc s PRO 82 Cb -0.00 -2.07 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 1wkc s PRO 82 CO -0.01 -1.28 0.23 -0.51 -0.33 0.00 0.00 177.00 175.11 1wkc s LEU 83 N -3.87 2.78 0.05 -5.54 1.43 -1.26 -1.76 118.68 110.50 1wkc s LEU 83 Ca 0.76 -1.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.29 1wkc s LEU 83 Cb -0.37 -1.20 -0.18 0.00 0.03 0.00 0.00 46.19 44.47 1wkc s LEU 83 CO 0.41 -0.84 1.48 0.00 0.23 0.00 0.00 176.35 177.64 1wkc h ALA 84 N 1.13 -0.82 -2.59 4.21 0.00 -2.02 -3.46 119.26 115.70 1wkc h ALA 84 Ca -0.41 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1wkc h ALA 84 Cb 1.29 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1wkc h ALA 84 CO 0.66 -0.91 0.00 -1.91 0.00 0.00 0.00 179.25 177.08 1wkc n GLU 92 N -5.41 0.00 -1.80 0.00 2.13 -1.26 -5.18 120.64 109.12 1wkc n GLU 92 Ca -0.13 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.33 1wkc n GLU 92 Cb 0.35 -0.48 0.06 0.00 0.27 0.00 0.00 31.44 31.64 1wkc n GLU 92 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1wkc s PRO 93 N -1.54 2.64 -0.06 5.31 0.04 -1.26 -4.96 135.00 135.16 1wkc s PRO 93 Ca 0.00 2.00 0.19 0.00 0.04 0.00 0.00 61.00 63.24 1wkc s PRO 93 Cb 0.00 -1.86 -0.29 0.00 0.04 0.00 0.00 34.50 32.39 1wkc s PRO 93 CO 0.00 -1.51 0.35 0.25 0.04 0.00 0.00 177.00 176.13 1wkc n THR 94 N -1.85 0.29 -1.84 1.26 -2.24 -0.72 -4.95 114.28 104.23 1wkc n THR 94 Ca 0.15 -0.53 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 1wkc n THR 94 Cb 0.48 -0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.65 1wkc n THR 94 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wkc s THR 95 N -3.16 2.18 0.56 4.28 -4.23 -1.26 -4.98 115.64 109.02 1wkc s THR 95 Ca -0.08 0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.40 1wkc s THR 95 Cb 0.11 -3.09 -0.08 0.00 1.34 0.00 0.00 72.50 70.79 1wkc s THR 95 CO 0.81 0.02 0.71 -2.65 -0.54 0.00 0.00 174.62 172.97 1wkc n PRO 96 N -0.27 0.71 -1.93 3.99 -0.02 -1.26 -4.84 135.00 131.38 1wkc n PRO 96 Ca 0.06 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.47 1wkc n PRO 96 Cb 0.43 -1.87 0.03 0.00 -0.02 0.00 0.00 33.50 32.07 1wkc n PRO 96 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1wkc s PRO 97 N -2.28 2.94 0.02 0.52 0.04 -1.26 -4.27 135.00 130.71 1wkc s PRO 97 Ca 0.70 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1wkc s PRO 97 Cb -0.45 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1wkc s PRO 97 CO 0.52 -1.17 -0.03 -1.21 0.04 0.00 0.00 177.00 175.15 1wkc s GLU 98 N -3.67 0.32 0.23 4.56 2.02 0.08 -5.00 118.70 117.24 1wkc s GLU 98 Ca 0.71 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 54.78 1wkc s GLU 98 Cb -0.24 0.10 -0.09 0.00 0.10 0.00 0.00 34.13 33.99 1wkc s GLU 98 CO 0.36 -0.05 1.31 0.34 0.02 0.00 0.00 175.26 177.24 1wkc s ASP 99 N -1.48 6.88 0.48 -0.19 2.15 -1.26 -3.94 116.67 119.30 1wkc s ASP 99 Ca -0.16 2.47 0.32 0.00 0.43 0.00 0.00 52.55 55.62 1wkc s ASP 99 Cb -0.10 -2.62 1.72 0.00 -0.30 0.00 0.00 42.92 41.62 1wkc s ASP 99 CO -0.01 -0.52 1.99 -0.65 -0.17 0.00 0.00 175.17 175.81 1wkc h PRO 100 N 4.91 0.00 0.00 4.34 0.11 -1.94 -2.66 132.00 136.76 1wkc h PRO 100 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wkc h PRO 100 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wkc h PRO 100 CO 0.75 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 176.41 1wkc n ARG 101 N -2.66 0.17 0.28 1.05 3.00 -1.26 -2.32 116.66 114.92 1wkc n ARG 101 Ca -0.02 0.45 0.17 0.00 -0.00 0.00 0.00 57.85 58.45 1wkc n ARG 101 Cb 0.08 -1.86 0.80 0.00 0.00 0.00 0.00 32.46 31.48 1wkc n ARG 101 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1wkc h VAL 102 N 0.00 0.22 -3.79 5.15 -1.51 -1.87 -3.45 116.25 111.00 1wkc h VAL 102 Ca 0.00 -0.46 -0.50 0.00 -1.23 0.00 0.00 66.70 64.51 1wkc h VAL 102 Cb 0.28 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1wkc h VAL 102 CO 0.00 0.06 0.41 -0.76 -1.23 0.00 0.00 177.57 176.05 1wkc s LEU 103 N -6.55 4.57 0.00 4.19 1.43 -0.98 -4.70 118.68 116.64 1wkc s LEU 103 Ca -0.01 2.09 0.09 0.00 -1.03 0.00 0.00 54.13 55.27 1wkc s LEU 103 Cb 0.11 -3.66 0.06 0.00 0.03 0.00 0.00 46.19 42.73 1wkc s LEU 103 CO 0.53 -0.01 0.75 -0.90 0.23 0.00 0.00 176.35 176.96 1wkc n ASP 104 N 1.25 1.65 -3.69 2.29 5.68 0.01 -4.66 116.55 119.09 1wkc n ASP 104 Ca -0.01 -1.33 -0.11 0.00 -0.50 0.00 0.00 54.79 52.85 1wkc n ASP 104 Cb 0.46 0.07 -0.10 0.00 -1.14 0.00 0.00 41.12 40.41 1wkc n ASP 104 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1wkc s LEU 105 N -0.87 -0.11 -0.22 -2.12 2.96 -1.14 -2.83 118.68 114.34 1wkc s LEU 105 Ca 0.10 0.95 -0.03 0.00 -0.22 0.00 0.00 54.13 54.93 1wkc s LEU 105 Cb 0.07 1.47 0.00 0.00 0.50 0.00 0.00 46.19 48.23 1wkc s LEU 105 CO 0.13 -0.19 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.21 1wkc s VAL 106 N 1.25 3.08 -0.29 1.68 1.01 -0.54 -1.07 120.40 125.52 1wkc s VAL 106 Ca -0.08 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.12 1wkc s VAL 106 Cb -0.07 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1wkc s VAL 106 CO -0.11 0.41 0.30 -0.69 0.00 0.00 0.00 175.10 175.01 1wkc s VAL 107 N 1.43 5.22 -0.23 2.92 1.01 -0.29 -1.33 120.40 129.13 1wkc s VAL 107 Ca 0.05 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 1wkc s VAL 107 Cb -0.14 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1wkc s VAL 107 CO -0.05 0.14 0.00 -0.69 0.00 0.00 0.00 175.10 174.50 1wkc s VAL 108 N 1.94 3.76 0.77 2.92 1.01 0.41 -4.66 120.40 126.56 1wkc s VAL 108 Ca 0.11 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1wkc s VAL 108 Cb -0.16 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.54 1wkc s VAL 108 CO 0.11 0.39 1.15 -2.16 0.00 0.00 0.00 175.10 174.58 1wkc s PRO 109 N 1.52 2.28 -0.10 2.72 0.04 -1.26 -1.96 135.00 138.23 1wkc s PRO 109 Ca 0.06 0.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.02 1wkc s PRO 109 Cb -0.15 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.54 1wkc s PRO 109 CO -0.00 -1.40 1.01 0.20 0.04 0.00 0.00 177.00 176.85 1wkc s GLY 110 N -4.50 -0.35 0.21 0.56 0.00 -1.26 -4.89 107.32 97.10 1wkc s GLY 110 Ca 0.61 1.52 -0.05 0.00 0.00 0.00 0.00 44.72 46.79 1wkc s GLY 110 CO 0.50 0.62 1.67 1.41 0.00 0.00 0.00 173.10 177.30 1wkc h LEU 111 N 2.17 0.88 -7.32 0.66 3.38 -1.45 -3.47 115.31 110.17 1wkc h LEU 111 Ca -0.18 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1wkc h LEU 111 Cb 1.20 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 1wkc h LEU 111 CO 0.29 0.99 0.20 0.00 0.09 0.00 0.00 178.44 180.01 1wkc s ALA 112 N -4.86 -1.45 0.07 1.53 0.00 -1.24 -4.91 121.76 110.90 1wkc s ALA 112 Ca -0.10 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.10 1wkc s ALA 112 Cb 0.14 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.10 1wkc s ALA 112 CO 0.84 -0.85 -0.06 -0.06 0.00 0.00 0.00 175.76 175.63 1wkc s PHE 113 N -3.80 0.72 0.43 0.00 0.08 -0.91 -1.24 117.98 113.24 1wkc s PHE 113 Ca 0.04 -0.77 0.08 0.00 0.12 0.00 0.00 56.93 56.41 1wkc s PHE 113 Cb -0.02 -0.44 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 1wkc s PHE 113 CO -0.07 -0.16 0.58 0.16 -0.10 0.00 0.00 175.22 175.63 1wkc s ASP 114 N -2.41 5.64 0.00 1.36 1.47 -0.40 -0.58 116.67 121.76 1wkc s ASP 114 Ca 0.02 -0.41 0.18 0.00 1.18 0.00 0.00 52.55 53.51 1wkc s ASP 114 Cb -0.01 -0.65 0.79 0.00 -0.34 0.00 0.00 42.92 42.71 1wkc s ASP 114 CO -0.03 -0.78 1.57 0.54 0.68 0.00 0.00 175.17 177.15 1wkc n ARG 115 N -1.87 0.05 0.00 2.11 1.74 -1.26 -1.29 116.66 116.14 1wkc n ARG 115 Ca 0.08 0.18 0.15 0.00 -0.77 0.00 0.00 57.85 57.49 1wkc n ARG 115 Cb 0.59 -1.50 0.75 0.00 -1.02 0.00 0.00 32.46 31.28 1wkc n ARG 115 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1wkc n GLU 116 N -1.46 1.14 -0.38 5.56 4.71 -1.26 -4.49 120.64 124.45 1wkc n GLU 116 Ca 0.05 -0.35 0.00 0.00 -0.01 0.00 0.00 57.16 56.85 1wkc n GLU 116 Cb 0.20 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1wkc n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wkc n GLY 117 N 1.11 0.70 3.79 0.62 0.00 -0.41 -4.71 105.19 106.29 1wkc n GLY 117 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1wkc n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wkc s TYR 118 N -2.74 3.28 0.14 1.61 2.02 -1.26 -1.12 117.35 119.27 1wkc s TYR 118 Ca 0.00 1.65 0.10 0.00 -0.37 0.00 0.00 57.07 58.44 1wkc s TYR 118 Cb 0.00 -3.09 -0.04 0.00 -0.40 0.00 0.00 41.96 38.43 1wkc s TYR 118 CO 0.00 -0.56 -0.23 -0.98 -1.57 0.00 0.00 175.55 172.21 1wkc s ARG 119 N -2.56 1.30 -0.51 -0.62 1.70 -1.26 -1.27 118.95 115.73 1wkc s ARG 119 Ca 0.58 -1.32 -0.18 0.00 -0.47 0.00 0.00 55.73 54.34 1wkc s ARG 119 Cb -0.21 -1.62 0.07 0.00 -0.57 0.00 0.00 34.95 32.62 1wkc s ARG 119 CO 0.26 0.37 0.60 -1.17 -1.08 0.00 0.00 175.30 174.27 1wkc s LEU 120 N -2.20 5.14 0.00 -1.89 2.96 -0.37 -5.00 118.68 117.32 1wkc s LEU 120 Ca 0.13 -1.05 0.00 0.00 -0.22 0.00 0.00 54.13 52.98 1wkc s LEU 120 Cb -0.09 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.22 1wkc s LEU 120 CO 0.06 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 174.82 1wkc n GLY 121 N 5.19 3.22 0.53 7.98 0.00 -1.26 -1.35 105.19 119.51 1wkc n GLY 121 Ca -0.08 -2.05 0.10 0.00 0.00 0.00 0.00 46.02 43.99 1wkc n GLY 121 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wkc n HIS 122 N -0.10 0.20 -0.99 1.61 8.25 -1.26 -4.84 115.22 118.09 1wkc n HIS 122 Ca 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1wkc n HIS 122 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1wkc n HIS 122 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wkc n GLY 123 N 1.11 0.48 0.06 -1.41 0.00 -1.26 -4.92 105.19 99.25 1wkc n GLY 123 Ca 0.16 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1wkc n GLY 123 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wkc n GLN 124 N -2.99 0.95 -0.98 1.61 1.13 -1.26 -5.00 117.38 110.84 1wkc n GLN 124 Ca 0.00 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 1wkc n GLN 124 Cb 0.00 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1wkc n GLN 124 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wkc n GLY 125 N 1.42 0.59 0.10 1.08 0.00 -1.26 -4.94 105.19 102.18 1wkc n GLY 125 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1wkc n GLY 125 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1wkc h PHE 126 N 0.00 -0.15 -0.38 1.61 0.04 -1.95 -1.50 116.94 114.61 1wkc h PHE 126 Ca 0.00 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 1wkc h PHE 126 Cb 0.08 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1wkc h PHE 126 CO 0.05 0.01 -0.22 1.88 -0.60 0.00 0.00 178.31 179.42 1wkc h TYR 127 N -0.28 0.85 -0.53 -0.55 0.05 -1.95 0.25 116.97 114.80 1wkc h TYR 127 Ca -0.02 -0.19 0.07 0.00 0.05 0.00 0.00 58.73 58.64 1wkc h TYR 127 Cb 0.23 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 37.71 1wkc h TYR 127 CO -0.03 0.90 0.22 -0.44 -1.05 0.00 0.00 178.16 177.76 1wkc h ASP 128 N 0.66 0.25 -0.20 3.88 3.32 -1.84 0.32 116.42 122.79 1wkc h ASP 128 Ca 0.09 0.06 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 1wkc h ASP 128 Cb 0.72 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1wkc h ASP 128 CO 0.06 0.17 -0.53 0.03 -1.72 0.00 0.00 179.24 177.24 1wkc h ARG 129 N 0.41 0.72 -0.39 3.56 3.08 -1.10 -3.31 114.38 117.36 1wkc h ARG 129 Ca 0.25 -0.50 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 1wkc h ARG 129 Cb 0.26 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1wkc h ARG 129 CO -0.24 1.12 -0.14 0.35 -1.07 0.00 0.00 179.97 180.00 1wkc h PHE 130 N 0.43 0.89 0.00 3.04 3.57 -0.70 -2.99 116.94 121.18 1wkc h PHE 130 Ca -0.01 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1wkc h PHE 130 Cb 1.15 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1wkc h PHE 130 CO 0.09 0.93 0.00 -0.07 -2.23 0.00 0.00 178.31 177.03 1wkc h LEU 131 N 0.58 0.00 -0.65 0.59 3.38 -1.04 -0.49 115.31 117.68 1wkc h LEU 131 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wkc h LEU 131 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1wkc h LEU 131 CO 0.05 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.69 1wkc h LYS 132 N 0.00 0.00 -0.01 1.13 1.57 -1.61 -3.27 116.57 114.38 1wkc h LYS 132 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wkc h LYS 132 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1wkc h LYS 132 CO 0.00 0.00 -0.48 -0.85 -0.57 0.00 0.00 179.45 177.55 1wkc n GLU 133 N -3.03 0.58 -3.98 3.15 0.28 -0.20 -4.91 120.64 112.53 1wkc n GLU 133 Ca 0.03 -0.40 -0.28 0.00 -0.16 0.00 0.00 57.16 56.34 1wkc n GLU 133 Cb 0.42 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.75 1wkc n GLU 133 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1wkc s VAL 134 N -2.70 5.05 -0.71 3.84 -7.23 -1.20 -4.64 120.40 112.80 1wkc s VAL 134 Ca 0.17 -0.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.71 1wkc s VAL 134 Cb 0.18 -3.52 0.18 0.00 0.56 0.00 0.00 36.38 33.78 1wkc s VAL 134 CO 0.63 0.02 0.55 0.54 -0.31 0.00 0.00 175.10 176.53 1wkc n ARG 135 N -0.07 1.99 -3.74 4.82 5.12 -1.26 -5.01 116.66 118.51 1wkc n ARG 135 Ca -0.07 -4.52 -0.11 0.00 -1.93 0.00 0.00 57.85 51.22 1wkc n ARG 135 Cb 0.53 -2.29 -0.07 0.00 -1.16 0.00 0.00 32.46 29.46 1wkc n ARG 135 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wkc s ALA 136 N -1.62 -0.71 0.55 7.54 0.00 -1.26 -4.87 121.76 121.40 1wkc s ALA 136 Ca 0.27 -0.01 -0.21 0.00 0.00 0.00 0.00 51.96 52.01 1wkc s ALA 136 Cb -0.02 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 1wkc s ALA 136 CO -0.15 -0.44 1.27 0.00 0.00 0.00 0.00 175.76 176.44 1wkc n ALA 137 N 0.46 1.23 -2.41 0.00 0.00 -1.13 -4.86 120.51 113.80 1wkc n ALA 137 Ca -0.18 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 1wkc n ALA 137 Cb 0.60 -2.29 -0.11 0.00 0.00 0.00 0.00 19.45 17.65 1wkc n ALA 137 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wkc s THR 138 N -1.33 1.54 -0.11 0.00 -4.23 -1.26 -1.46 115.64 108.79 1wkc s THR 138 Ca 0.72 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 59.22 1wkc s THR 138 Cb -0.43 -1.79 0.05 0.00 1.34 0.00 0.00 72.50 71.67 1wkc s THR 138 CO 0.49 -0.49 0.26 0.54 -0.54 0.00 0.00 174.62 174.87 1wkc s VAL 139 N -2.53 -0.04 -0.09 2.29 0.11 -0.44 -2.42 120.40 117.29 1wkc s VAL 139 Ca 0.15 0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 59.15 1wkc s VAL 139 Cb -0.03 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1wkc s VAL 139 CO 0.05 0.06 0.52 -0.83 -3.33 0.00 0.00 175.10 171.56 1wkc s GLY 140 N 1.22 2.46 -0.17 6.54 0.00 -0.27 -0.44 107.32 116.65 1wkc s GLY 140 Ca -0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.49 1wkc s GLY 140 CO -0.08 0.79 -0.06 -1.34 0.00 0.00 0.00 173.10 172.41 1wkc s VAL 141 N 0.45 3.52 -0.14 1.40 -7.23 -0.83 -0.66 120.40 116.92 1wkc s VAL 141 Ca 0.28 -0.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.68 1wkc s VAL 141 Cb -0.16 -2.55 0.08 0.00 0.56 0.00 0.00 36.38 34.32 1wkc s VAL 141 CO 0.12 0.48 0.77 0.54 -0.31 0.00 0.00 175.10 176.70 1wkc s VAL 142 N 0.72 0.00 0.70 1.32 0.11 -0.58 -4.18 120.40 118.50 1wkc s VAL 142 Ca -0.03 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.86 1wkc s VAL 142 Cb -0.15 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1wkc s VAL 142 CO 0.02 0.00 1.26 -2.84 -3.33 0.00 0.00 175.10 170.21 1wkc s PRO 143 N -0.73 2.24 0.40 1.54 0.02 -1.26 -4.01 135.00 133.20 1wkc s PRO 143 Ca -0.06 1.96 0.14 0.00 0.02 0.00 0.00 61.00 63.06 1wkc s PRO 143 Cb -0.02 -1.82 0.97 0.00 0.02 0.00 0.00 34.50 33.66 1wkc s PRO 143 CO 0.05 -1.81 1.88 1.96 -0.33 0.00 0.00 177.00 178.75 1wkc h GLN 144 N 0.05 0.50 0.00 5.54 4.20 -1.95 -0.52 115.11 122.93 1wkc h GLN 144 Ca -0.49 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.19 1wkc h GLN 144 Cb 1.32 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1wkc h GLN 144 CO 0.51 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 179.00 1wkc n ALA 145 N -2.48 1.47 -0.86 3.87 0.00 -1.26 -1.96 120.51 119.28 1wkc n ALA 145 Ca 0.17 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.78 1wkc n ALA 145 Cb 0.56 -1.33 0.26 0.00 0.00 0.00 0.00 19.45 18.94 1wkc n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wkc n LEU 146 N -2.10 3.89 -4.54 0.00 7.99 -0.21 -4.82 117.00 117.21 1wkc n LEU 146 Ca 0.01 -2.85 -0.43 0.00 -0.01 0.00 0.00 56.01 52.73 1wkc n LEU 146 Cb 0.16 -0.51 -0.06 0.00 -0.11 0.00 0.00 43.42 42.90 1wkc n LEU 146 CO 0.15 0.68 0.51 -0.76 -1.51 0.00 0.00 177.39 176.47 1wkc s LEU 147 N -2.54 4.29 0.31 2.23 1.43 -0.83 -2.15 118.68 121.42 1wkc s LEU 147 Ca 0.40 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 1wkc s LEU 147 Cb 0.31 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1wkc s LEU 147 CO 0.11 -0.84 0.37 -0.36 0.23 0.00 0.00 176.35 175.86 1wkc s PHE 148 N 3.12 3.12 0.92 0.29 0.40 0.25 -5.00 117.98 121.08 1wkc s PHE 148 Ca 0.28 -0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.31 1wkc s PHE 148 Cb -0.13 -1.79 0.15 0.00 0.51 0.00 0.00 43.02 41.76 1wkc s PHE 148 CO 0.20 0.19 1.11 -2.14 0.70 0.00 0.00 175.22 175.29 1wkc s PRO 149 N -4.05 0.98 -0.35 0.24 0.02 -1.26 -4.19 135.00 126.39 1wkc s PRO 149 Ca 0.40 1.25 -0.33 0.00 0.02 0.00 0.00 61.00 62.34 1wkc s PRO 149 Cb -0.08 -1.74 -0.14 0.00 0.02 0.00 0.00 34.50 32.55 1wkc s PRO 149 CO 0.29 -2.56 1.13 0.00 -0.33 0.00 0.00 177.00 175.53 1wkc n ALA 150 N -4.16 -1.04 -1.68 -1.55 0.00 -1.26 -4.79 120.51 106.04 1wkc n ALA 150 Ca 0.09 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.57 1wkc n ALA 150 Cb 0.53 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.63 1wkc n ALA 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wkc s LEU 151 N 2.08 3.36 0.28 0.00 1.43 -1.26 -4.96 118.68 119.61 1wkc s LEU 151 Ca 0.75 1.67 -0.30 0.00 -1.03 0.00 0.00 54.13 55.22 1wkc s LEU 151 Cb -1.07 -4.51 -0.12 0.00 0.03 0.00 0.00 46.19 40.53 1wkc s LEU 151 CO 0.58 -1.15 1.62 -2.84 0.23 0.00 0.00 176.35 174.79 1wkc s PRO 152 N -4.51 4.11 -0.17 1.29 0.02 -1.26 -4.95 135.00 129.52 1wkc s PRO 152 Ca 0.60 2.60 -0.06 0.00 0.02 0.00 0.00 61.00 64.16 1wkc s PRO 152 Cb -0.14 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 1wkc s PRO 152 CO 0.44 -0.66 0.03 0.50 -0.33 0.00 0.00 177.00 176.97 1wkc s ARG 153 N -0.28 3.87 0.15 5.54 6.06 -1.26 -5.06 118.95 127.97 1wkc s ARG 153 Ca 0.65 -0.41 0.11 0.00 -2.50 0.00 0.00 55.73 53.58 1wkc s ARG 153 Cb -0.48 -3.10 -0.04 0.00 0.06 0.00 0.00 34.95 31.38 1wkc s ARG 153 CO 0.46 0.27 -0.24 -0.51 -2.50 0.00 0.00 175.30 172.77 1wkc s ASP 154 N 0.35 3.20 0.57 -2.12 1.01 -1.26 -5.05 116.67 113.38 1wkc s ASP 154 Ca 0.00 -0.79 0.27 0.00 0.71 0.00 0.00 52.55 52.74 1wkc s ASP 154 Cb -0.13 -0.22 1.65 0.00 1.01 0.00 0.00 42.92 45.23 1wkc s ASP 154 CO 0.01 0.12 2.17 -0.65 0.21 0.00 0.00 175.17 177.03 1wkc h PRO 155 N 3.60 0.00 -0.01 8.23 0.11 -2.06 -2.01 132.00 139.86 1wkc h PRO 155 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wkc h PRO 155 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wkc h PRO 155 CO 0.43 0.00 -0.11 -2.67 -0.21 0.00 0.00 178.00 175.45 1wkc n TRP 156 N -3.99 0.00 -2.65 0.65 2.14 -1.26 -4.91 117.44 107.43 1wkc n TRP 156 Ca -0.01 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.16 1wkc n TRP 156 Cb 0.20 -0.10 -0.05 0.00 -0.81 0.00 0.00 31.31 30.55 1wkc n TRP 156 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1wkc s ASP 157 N -2.30 7.50 -0.13 -0.67 1.01 -0.76 -4.82 116.67 116.50 1wkc s ASP 157 Ca 0.32 2.05 0.01 0.00 0.71 0.00 0.00 52.55 55.64 1wkc s ASP 157 Cb 0.20 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.54 1wkc s ASP 157 CO 0.44 0.03 -0.14 -0.69 0.21 0.00 0.00 175.17 175.01 1wkc s VAL 158 N -1.04 1.48 0.43 -1.27 1.01 -1.26 -4.98 120.40 114.78 1wkc s VAL 158 Ca 0.43 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1wkc s VAL 158 Cb -0.28 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.65 1wkc s VAL 158 CO 0.35 0.44 0.82 -2.16 0.00 0.00 0.00 175.10 174.56 1wkc s PRO 159 N 1.29 3.82 0.75 2.72 0.04 -1.26 -4.74 135.00 137.62 1wkc s PRO 159 Ca -0.00 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 61.52 1wkc s PRO 159 Cb -0.14 -2.33 0.04 0.00 0.04 0.00 0.00 34.50 32.12 1wkc s PRO 159 CO -0.07 -0.10 1.09 0.14 0.04 0.00 0.00 177.00 178.10 1wkc s VAL 160 N -2.44 3.45 -1.14 -0.36 -7.23 -0.28 -4.96 120.40 107.44 1wkc s VAL 160 Ca 0.53 0.47 0.11 0.00 -1.81 0.00 0.00 61.98 61.28 1wkc s VAL 160 Cb -0.10 -3.28 0.23 0.00 0.56 0.00 0.00 36.38 33.79 1wkc s VAL 160 CO 0.31 -0.61 1.12 -0.90 -0.31 0.00 0.00 175.10 174.70 1wkc n ASP 161 N -3.25 2.59 -3.83 4.85 5.75 -1.25 -4.50 116.55 116.91 1wkc n ASP 161 Ca 0.07 -1.81 -0.10 0.00 -0.01 0.00 0.00 54.79 52.94 1wkc n ASP 161 Cb 0.56 -0.15 -0.08 0.00 -1.03 0.00 0.00 41.12 40.42 1wkc n ASP 161 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1wkc s HIS 162 N -0.99 0.06 0.01 2.11 3.76 -1.01 -2.54 115.29 116.70 1wkc s HIS 162 Ca 0.20 -0.35 0.06 0.00 -0.15 0.00 0.00 55.06 54.82 1wkc s HIS 162 Cb 0.11 -0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.77 1wkc s HIS 162 CO 0.16 -0.49 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.87 1wkc s LEU 163 N -2.38 2.10 -0.09 0.89 1.43 0.10 -1.11 118.68 119.63 1wkc s LEU 163 Ca -0.01 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1wkc s LEU 163 Cb 0.01 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.35 1wkc s LEU 163 CO -0.07 0.17 -0.14 0.00 0.23 0.00 0.00 176.35 176.54 1wkc s ALA 164 N -0.62 1.54 0.39 4.21 0.00 0.17 -0.62 121.76 126.82 1wkc s ALA 164 Ca 0.06 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1wkc s ALA 164 Cb -0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1wkc s ALA 164 CO 0.00 -0.00 0.08 0.25 0.00 0.00 0.00 175.76 176.09 1wkc n THR 165 N 4.06 0.00 0.22 0.00 -2.24 -0.62 -1.52 114.28 114.18 1wkc n THR 165 Ca -0.20 -2.07 0.10 0.00 -2.27 0.00 0.00 64.05 59.61 1wkc n THR 165 Cb 0.51 0.63 0.49 0.00 -2.10 0.00 0.00 70.33 69.87 1wkc n THR 165 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wkc n GLU 166 N -0.90 0.13 0.04 -0.78 0.00 -1.26 -1.89 120.64 115.97 1wkc n GLU 166 Ca -0.10 0.56 0.13 0.00 0.00 0.00 0.00 57.16 57.75 1wkc n GLU 166 Cb 0.54 -1.87 0.36 0.00 0.00 0.00 0.00 31.44 30.47 1wkc n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wkc n ALA 167 N -1.74 2.80 0.00 -1.84 0.00 -1.26 -4.83 120.51 113.64 1wkc n ALA 167 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1wkc n ALA 167 Cb 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1wkc n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wkc n GLY 168 N 1.42 0.36 3.87 0.00 0.00 -0.79 -5.07 105.19 104.97 1wkc n GLY 168 Ca 0.05 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 1wkc n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wkc s VAL 169 N -0.22 5.28 0.02 1.61 1.01 -1.26 -1.59 120.40 125.25 1wkc s VAL 169 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1wkc s VAL 169 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1wkc s VAL 169 CO 0.00 0.47 0.01 -1.83 0.00 0.00 0.00 175.10 173.75 1wkc s GLU 170 N -1.44 0.37 0.55 2.72 -1.05 0.21 -5.00 118.70 115.06 1wkc s GLU 170 Ca 0.24 -0.60 -0.18 0.00 -0.15 0.00 0.00 54.97 54.28 1wkc s GLU 170 Cb -0.14 0.14 -0.05 0.00 -0.44 0.00 0.00 34.13 33.64 1wkc s GLU 170 CO 0.13 -0.07 1.06 0.00 0.95 0.00 0.00 175.26 177.33 1wkc s ALA 171 N -1.59 2.77 -0.19 -0.84 0.00 -1.26 -0.72 121.76 119.92 1wkc s ALA 171 Ca -0.14 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1wkc s ALA 171 Cb -0.08 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1wkc s ALA 171 CO -0.01 -0.65 0.43 0.08 0.00 0.00 0.00 175.76 175.61 1wkc s VAL 172 N -2.19 5.18 0.17 0.00 1.01 -1.05 -4.74 120.40 118.79 1wkc s VAL 172 Ca 0.66 0.78 -0.33 0.00 0.00 0.00 0.00 61.98 63.09 1wkc s VAL 172 Cb -0.17 -3.76 -0.15 0.00 0.00 0.00 0.00 36.38 32.29 1wkc s VAL 172 CO 0.30 0.25 1.22 0.29 0.00 0.00 0.00 175.10 177.15 1wkc n LYS 173 N 4.41 1.29 -1.93 2.72 5.02 -1.26 -4.88 118.16 123.53 1wkc n LYS 173 Ca -0.08 0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 56.26 1wkc n LYS 173 Cb 0.51 -2.00 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 1wkc n LYS 173 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1wkc s ARG 174 N -0.27 4.22 0.00 1.97 3.52 -1.26 -5.00 118.95 122.13 1wkc s ARG 174 Ca 0.74 2.37 0.01 0.00 -0.13 0.00 0.00 55.73 58.72 1wkc s ARG 174 Cb -0.83 -3.14 0.07 0.00 -1.56 0.00 0.00 34.95 29.49 1wkc s ARG 174 CO 0.51 -0.58 0.57 -2.30 -0.81 0.00 0.00 175.30 172.69