#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki n LEU 2 N 0.00 -6.27 -4.50 4.03 4.32 -1.26 -4.93 117.00 108.40 1wki n LEU 2 Ca 0.00 2.26 -0.43 0.00 -0.02 0.00 0.00 56.01 57.82 1wki n LEU 2 Cb 0.00 -3.28 -0.07 0.00 -1.62 0.00 0.00 43.42 38.45 1wki n LEU 2 CO 0.00 -4.02 0.28 -0.04 -1.22 0.00 0.00 177.39 172.39 1wki s MET 3 N -0.72 3.20 1.14 3.23 -1.94 -1.26 -5.06 119.30 117.89 1wki s MET 3 Ca -0.27 -0.54 -0.16 0.00 -1.71 0.00 0.00 55.69 53.01 1wki s MET 3 Cb 0.02 -3.97 0.26 0.00 2.01 0.00 0.00 34.83 33.15 1wki s MET 3 CO 0.79 -0.97 1.08 -1.25 -0.01 0.00 0.00 175.02 174.66 1wki s PRO 4 N 2.56 -0.73 -0.36 2.03 0.04 -1.26 -5.05 135.00 132.22 1wki s PRO 4 Ca 0.18 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1wki s PRO 4 Cb -0.15 -1.62 0.14 0.00 0.04 0.00 0.00 34.50 32.90 1wki s PRO 4 CO 0.17 -3.45 0.22 0.50 0.04 0.00 0.00 177.00 174.47 1wki s ARG 5 N -5.10 0.65 -0.06 4.56 3.00 -1.26 -4.94 118.95 115.80 1wki s ARG 5 Ca 0.68 -1.44 0.25 0.00 -1.00 0.00 0.00 55.73 54.22 1wki s ARG 5 Cb -0.15 -1.42 0.44 0.00 0.00 0.00 0.00 34.95 33.82 1wki s ARG 5 CO 0.58 -1.21 1.16 2.89 0.00 0.00 0.00 175.30 178.71 1wki n ARG 6 N 3.93 0.41 -2.14 5.12 1.85 -1.26 -5.06 116.66 119.51 1wki n ARG 6 Ca 0.12 -2.34 -0.40 0.00 -1.00 0.00 0.00 57.85 54.23 1wki n ARG 6 Cb 0.37 -0.37 -0.03 0.00 -1.05 0.00 0.00 32.46 31.39 1wki n ARG 6 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1wki s MET 7 N -0.89 2.99 -0.07 2.89 1.75 -1.26 -4.76 119.30 119.96 1wki s MET 7 Ca 0.32 0.75 0.24 0.00 -1.25 0.00 0.00 55.69 55.74 1wki s MET 7 Cb 0.37 -4.26 0.44 0.00 2.84 0.00 0.00 34.83 34.22 1wki s MET 7 CO -0.14 -2.29 1.17 0.36 -0.65 0.00 0.00 175.02 173.47 1wki n LYS 8 N 8.86 0.50 -3.85 4.11 -0.00 -1.26 -5.09 118.16 121.43 1wki n LYS 8 Ca 0.18 -2.41 -0.09 0.00 -0.00 0.00 0.00 58.31 55.99 1wki n LYS 8 Cb 0.50 -0.46 -0.06 0.00 -0.00 0.00 0.00 35.03 35.01 1wki n LYS 8 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1wki s TYR 9 N -0.98 0.16 0.08 5.58 5.04 -1.26 -5.17 117.35 120.79 1wki s TYR 9 Ca 0.34 -0.54 0.03 0.00 -2.44 0.00 0.00 57.07 54.46 1wki s TYR 9 Cb 0.38 0.03 -0.04 0.00 0.35 0.00 0.00 41.96 42.68 1wki s TYR 9 CO -0.14 -0.67 0.06 1.03 -1.34 0.00 0.00 175.55 174.50 1wki s ARG 10 N -3.89 2.80 -0.50 4.97 3.00 -1.26 -5.02 118.95 119.05 1wki s ARG 10 Ca 0.09 -0.72 0.02 0.00 0.00 0.00 0.00 55.73 55.12 1wki s ARG 10 Cb 0.03 -2.69 0.56 0.00 0.00 0.00 0.00 34.95 32.86 1wki s ARG 10 CO -0.07 0.56 1.93 1.63 0.00 0.00 0.00 175.30 179.36 1wki n LYS 11 N 0.53 2.34 -3.22 3.54 5.02 -1.26 -4.92 118.16 120.20 1wki n LYS 11 Ca -0.09 -2.96 -0.42 0.00 -2.02 0.00 0.00 58.31 52.82 1wki n LYS 11 Cb 0.52 -2.16 -0.08 0.00 -0.02 0.00 0.00 35.03 33.29 1wki n LYS 11 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wki s GLN 12 N -3.32 3.49 -0.26 1.97 -0.21 -1.26 -5.04 119.66 115.02 1wki s GLN 12 Ca 0.57 -0.26 -0.12 0.00 0.02 0.00 0.00 55.36 55.57 1wki s GLN 12 Cb 0.47 -3.86 -0.05 0.00 1.00 0.00 0.00 33.01 30.57 1wki s GLN 12 CO 0.06 -0.75 0.23 -1.14 -2.12 0.00 0.00 175.29 171.57 1wki s GLN 13 N 2.47 4.01 -0.27 2.91 0.74 -1.26 -5.06 119.66 123.20 1wki s GLN 13 Ca 0.19 -0.21 -0.25 0.00 0.05 0.00 0.00 55.36 55.14 1wki s GLN 13 Cb -0.15 -3.62 -0.00 0.00 1.10 0.00 0.00 33.01 30.34 1wki s GLN 13 CO 0.15 -0.12 0.85 1.03 -0.55 0.00 0.00 175.29 176.65 1wki s ARG 14 N 1.58 4.11 0.00 1.67 0.52 -1.26 -4.41 118.95 121.16 1wki s ARG 14 Ca 0.09 0.88 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 1wki s ARG 14 Cb -0.15 -3.68 0.00 0.00 0.52 0.00 0.00 34.95 31.64 1wki s ARG 14 CO 0.09 -0.61 0.00 0.41 0.02 0.00 0.00 175.30 175.21 1wki n GLY 15 N 3.86 0.53 3.93 -3.53 0.00 -1.26 -5.15 105.19 103.57 1wki n GLY 15 Ca 0.06 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1wki n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wki s ARG 16 N 0.00 3.51 0.15 1.61 3.52 -1.26 -5.06 118.95 121.42 1wki s ARG 16 Ca 0.00 -0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.22 1wki s ARG 16 Cb 0.00 -2.53 -0.07 0.00 -1.56 0.00 0.00 34.95 30.79 1wki s ARG 16 CO 0.00 -0.02 0.97 -1.17 -0.81 0.00 0.00 175.30 174.27 1wki s LEU 17 N -4.52 4.54 -0.01 -0.88 1.98 -1.26 -4.96 118.68 113.58 1wki s LEU 17 Ca 0.43 1.87 0.15 0.00 -2.89 0.00 0.00 54.13 53.70 1wki s LEU 17 Cb -0.10 -3.60 -0.19 0.00 0.66 0.00 0.00 46.19 42.97 1wki s LEU 17 CO 0.40 -0.02 0.68 2.29 -1.89 0.00 0.00 176.35 177.81 1wki n LYS 18 N 2.38 0.63 0.00 1.98 2.85 -1.26 -5.00 118.16 119.74 1wki n LYS 18 Ca 0.01 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 1wki n LYS 18 Cb 0.48 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.09 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wki n GLY 19 N 1.49 2.05 3.56 2.58 0.00 -1.26 -4.97 105.19 108.64 1wki n GLY 19 Ca -0.14 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1wki n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wki n ALA 20 N 0.00 -1.92 -2.92 4.61 0.00 -1.26 -5.02 120.51 114.00 1wki n ALA 20 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 53.44 52.26 1wki n ALA 20 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 17.32 1wki n ALA 20 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wki s THR 21 N -2.52 5.34 -0.52 0.00 -4.23 -1.26 -5.07 115.64 107.39 1wki s THR 21 Ca 0.67 -0.45 -0.20 0.00 -1.18 0.00 0.00 61.69 60.54 1wki s THR 21 Cb -0.24 -3.62 0.06 0.00 1.34 0.00 0.00 72.50 70.04 1wki s THR 21 CO 0.62 0.11 0.66 -0.75 -0.54 0.00 0.00 174.62 174.72 1wki s LYS 22 N -2.60 3.14 -0.21 3.99 2.47 -1.26 -4.77 119.74 120.50 1wki s LYS 22 Ca 0.35 -0.85 0.05 0.00 -1.56 0.00 0.00 55.97 53.95 1wki s LYS 22 Cb -0.13 -4.10 0.16 0.00 -1.46 0.00 0.00 37.83 32.30 1wki s LYS 22 CO 0.28 -1.27 1.00 0.41 0.16 0.00 0.00 175.35 175.93 1wki n GLY 23 N 5.17 0.12 0.00 5.54 0.00 -1.26 -5.11 105.19 109.65 1wki n GLY 23 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1wki n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 24 N -0.60 0.67 3.72 -0.02 0.00 -1.26 -5.09 105.19 102.61 1wki n GLY 24 Ca -0.12 0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1wki n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wki s ASP 25 N 0.00 6.80 0.00 1.61 1.11 -1.21 -4.97 116.67 120.01 1wki s ASP 25 Ca 0.00 2.39 0.00 0.00 0.18 0.00 0.00 52.55 55.12 1wki s ASP 25 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1wki s ASP 25 CO 0.00 -0.66 0.00 0.00 1.18 0.00 0.00 175.17 175.69 1wki n TYR 26 N 3.68 0.00 0.00 4.23 4.19 -1.26 -3.97 117.16 124.03 1wki n TYR 26 Ca 0.11 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.32 1wki n TYR 26 Cb 0.42 -0.18 0.00 0.00 0.49 0.00 0.00 39.34 40.07 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1wki n VAL 27 N -1.30 0.00 -1.93 2.97 0.31 -1.26 -4.72 118.33 112.40 1wki n VAL 27 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1wki n VAL 27 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1wki n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wki n ALA 28 N -1.62 -1.04 -0.68 3.52 0.00 -1.26 -4.64 120.51 114.79 1wki n ALA 28 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1wki n ALA 28 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1wki n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wki n PHE 29 N -1.54 0.00 -4.03 0.00 3.72 -1.26 -4.68 117.46 109.67 1wki n PHE 29 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 1wki n PHE 29 Cb 0.12 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 1wki n PHE 29 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1wki s GLY 30 N 0.00 2.32 0.24 1.37 0.00 -1.26 -4.93 107.32 105.05 1wki s GLY 30 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 44.72 42.65 1wki s GLY 30 CO 0.00 -1.88 1.88 -0.55 0.00 0.00 0.00 173.10 172.55 1wki h ASP 31 N 1.32 0.93 -1.61 1.64 3.32 -0.58 -3.42 116.42 118.01 1wki h ASP 31 Ca -0.42 -0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.14 1wki h ASP 31 Cb 1.26 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1wki h ASP 31 CO 0.67 0.63 -0.39 -0.31 -1.72 0.00 0.00 179.24 178.12 1wki s TYR 32 N -6.09 2.78 -0.17 4.55 2.02 -0.98 0.55 117.35 120.01 1wki s TYR 32 Ca -0.13 -0.43 -0.09 0.00 -0.37 0.00 0.00 57.07 56.06 1wki s TYR 32 Cb 0.18 -2.08 0.06 0.00 -0.40 0.00 0.00 41.96 39.72 1wki s TYR 32 CO 0.80 -0.05 0.40 0.20 -1.57 0.00 0.00 175.55 175.32 1wki s GLY 33 N -4.11 -0.32 -0.59 0.71 0.00 0.19 -3.11 107.32 100.09 1wki s GLY 33 Ca 0.47 1.49 -0.21 0.00 0.00 0.00 0.00 44.72 46.47 1wki s GLY 33 CO 0.28 1.81 0.81 -2.27 0.00 0.00 0.00 173.10 173.73 1wki s LEU 34 N 1.65 4.79 0.12 0.66 1.98 0.22 -1.71 118.68 126.38 1wki s LEU 34 Ca -0.08 -1.03 -0.11 0.00 -2.89 0.00 0.00 54.13 50.02 1wki s LEU 34 Cb -0.09 -2.44 -0.06 0.00 0.66 0.00 0.00 46.19 44.25 1wki s LEU 34 CO -0.13 -1.20 0.46 0.54 -1.89 0.00 0.00 176.35 174.14 1wki s VAL 35 N 3.31 5.01 -0.40 1.68 0.11 -1.00 0.10 120.40 129.21 1wki s VAL 35 Ca 0.18 0.56 -0.16 0.00 -2.93 0.00 0.00 61.98 59.63 1wki s VAL 35 Cb -0.19 -3.67 0.01 0.00 -1.53 0.00 0.00 36.38 31.00 1wki s VAL 35 CO 0.10 0.23 0.37 0.00 -3.33 0.00 0.00 175.10 172.48 1wki s ALA 36 N -1.46 3.46 -2.03 1.54 0.00 0.24 -2.05 121.76 121.45 1wki s ALA 36 Ca 0.36 -1.55 0.18 0.00 0.00 0.00 0.00 51.96 50.95 1wki s ALA 36 Cb -0.14 -2.94 0.99 0.00 0.00 0.00 0.00 23.12 21.02 1wki s ALA 36 CO 0.19 -1.45 1.64 1.28 0.00 0.00 0.00 175.76 177.43 1wki n LEU 37 N 5.39 0.21 -3.75 0.00 4.77 0.31 0.93 117.00 124.86 1wki n LEU 37 Ca -0.09 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 1wki n LEU 37 Cb 0.48 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1wki n LEU 37 CO 0.43 0.04 0.01 -0.70 -1.33 0.00 0.00 177.39 175.84 1wki s GLU 38 N -1.97 0.39 0.30 3.23 2.56 -1.23 -4.55 118.70 117.43 1wki s GLU 38 Ca 0.26 0.48 -0.29 0.00 0.00 0.00 0.00 54.97 55.43 1wki s GLU 38 Cb 0.12 0.18 -0.10 0.00 2.00 0.00 0.00 34.13 36.34 1wki s GLU 38 CO 0.21 -0.05 1.33 -1.25 -0.56 0.00 0.00 175.26 174.93 1wki s PRO 39 N 0.22 4.35 0.17 4.30 0.04 -1.26 -4.56 135.00 138.27 1wki s PRO 39 Ca -0.00 2.21 -0.24 0.00 0.04 0.00 0.00 61.00 63.00 1wki s PRO 39 Cb -0.03 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.48 1wki s PRO 39 CO 0.00 -0.23 0.94 0.00 0.04 0.00 0.00 177.00 177.75 1wki s ALA 40 N -0.83 -1.60 -0.39 8.56 0.00 -1.16 -4.92 121.76 121.41 1wki s ALA 40 Ca 0.51 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 1wki s ALA 40 Cb -0.40 0.66 0.06 0.00 0.00 0.00 0.00 23.12 23.45 1wki s ALA 40 CO 0.50 -1.05 0.21 -1.58 0.00 0.00 0.00 175.76 173.84 1wki s TRP 41 N -3.32 3.32 -0.24 0.00 0.51 -1.26 -1.26 118.94 116.68 1wki s TRP 41 Ca 0.12 -1.48 -0.26 0.00 -2.12 0.00 0.00 56.10 52.37 1wki s TRP 41 Cb -0.02 -2.72 0.00 0.00 -0.81 0.00 0.00 33.47 29.92 1wki s TRP 41 CO 0.03 -0.80 0.90 0.42 -0.51 0.00 0.00 176.95 176.99 1wki s ILE 42 N 1.42 4.78 0.92 2.03 -1.09 -1.08 -4.72 121.20 123.46 1wki s ILE 42 Ca 0.02 1.71 -0.14 0.00 -2.23 0.00 0.00 60.65 60.00 1wki s ILE 42 Cb -0.22 -4.18 0.16 0.00 -1.58 0.00 0.00 42.46 36.64 1wki s ILE 42 CO 0.03 -0.11 1.24 0.42 -1.23 0.00 0.00 174.94 175.28 1wki s THR 43 N 2.96 1.97 0.18 2.92 -4.23 -1.26 -0.59 115.64 117.60 1wki s THR 43 Ca 0.38 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.77 1wki s THR 43 Cb -0.15 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 70.84 1wki s THR 43 CO 0.07 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.92 1wki h ALA 44 N -1.48 0.80 -0.75 3.99 0.00 -1.97 -2.85 119.26 117.00 1wki h ALA 44 Ca -0.46 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.36 1wki h ALA 44 Cb 1.28 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1wki h ALA 44 CO 0.50 0.36 0.47 1.96 0.00 0.00 0.00 179.25 182.54 1wki h GLN 45 N 0.85 0.87 -0.52 0.00 1.08 -1.93 -1.81 115.11 113.65 1wki h GLN 45 Ca 0.21 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.40 1wki h GLN 45 Cb 0.11 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 1wki h GLN 45 CO -0.03 0.58 0.35 1.96 -0.95 0.00 0.00 178.83 180.74 1wki h GLN 46 N 0.90 0.57 0.00 1.46 4.20 -1.88 2.56 115.11 122.92 1wki h GLN 46 Ca 0.31 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1wki h GLN 46 Cb 0.06 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1wki h GLN 46 CO -0.13 0.37 -0.00 0.82 -0.67 0.00 0.00 178.83 179.22 1wki h ILE 47 N 0.58 1.45 0.08 2.54 2.04 -1.29 -2.70 117.51 120.20 1wki h ILE 47 Ca 0.21 -1.35 -0.17 0.00 1.00 0.00 0.00 64.86 64.55 1wki h ILE 47 Cb 0.12 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1wki h ILE 47 CO -0.06 0.35 -0.84 -0.08 0.00 0.00 0.00 178.15 177.52 1wki h GLU 48 N -0.58 0.16 -0.47 2.37 4.81 -1.08 -3.02 114.58 116.77 1wki h GLU 48 Ca -0.00 -0.28 0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1wki h GLU 48 Cb 0.58 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 1wki h GLU 48 CO 0.00 1.13 0.13 0.00 -0.73 0.00 0.00 179.01 179.55 1wki h ALA 49 N -0.06 0.54 -0.57 2.92 0.00 0.43 -0.07 119.26 122.46 1wki h ALA 49 Ca -0.18 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1wki h ALA 49 Cb 1.47 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1wki h ALA 49 CO 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 179.25 179.01 1wki h ALA 50 N 1.33 0.77 -0.68 0.00 0.00 -1.51 -2.87 119.26 116.30 1wki h ALA 50 Ca 0.23 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1wki h ALA 50 Cb 0.26 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1wki h ALA 50 CO -0.26 0.61 0.44 -0.09 0.00 0.00 0.00 179.25 179.95 1wki h ARG 51 N 0.91 0.86 -0.83 0.00 2.43 -1.23 -0.58 114.38 115.93 1wki h ARG 51 Ca 0.16 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1wki h ARG 51 Cb 0.56 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1wki h ARG 51 CO 0.03 0.57 0.53 0.28 -1.51 0.00 0.00 179.97 179.87 1wki h VAL 52 N 0.88 1.12 -0.38 0.20 2.07 -0.88 0.43 116.25 119.69 1wki h VAL 52 Ca 0.26 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 1wki h VAL 52 Cb -0.06 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 1wki h VAL 52 CO -0.07 0.19 -0.31 0.00 0.02 0.00 0.00 177.57 177.39 1wki h ALA 53 N 1.35 0.72 -0.03 1.67 0.00 -1.21 -2.35 119.26 119.42 1wki h ALA 53 Ca 0.33 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wki h ALA 53 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wki h ALA 53 CO -0.12 0.66 -0.04 0.52 0.00 0.00 0.00 179.25 180.27 1wki h MET 54 N 0.71 0.07 -1.00 0.00 2.07 -0.51 -1.24 114.93 115.03 1wki h MET 54 Ca 0.08 -0.05 0.08 0.00 -2.07 0.00 0.00 59.70 57.74 1wki h MET 54 Cb 0.87 0.01 -0.07 0.00 -1.87 0.00 0.00 31.60 30.54 1wki h MET 54 CO 0.08 0.61 0.64 0.28 1.07 0.00 0.00 176.91 179.59 1wki h VAL 55 N -0.45 1.06 0.00 -2.22 2.07 -0.21 -1.04 116.25 115.46 1wki h VAL 55 Ca 0.00 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 66.98 1wki h VAL 55 Cb 0.61 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1wki h VAL 55 CO 0.01 0.21 -0.71 0.03 0.02 0.00 0.00 177.57 177.13 1wki h ARG 56 N 1.14 0.00 0.50 1.57 3.08 -1.44 -3.31 114.38 115.93 1wki h ARG 56 Ca 0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.47 1wki h ARG 56 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1wki h ARG 56 CO -0.19 0.71 -0.24 1.25 -1.07 0.00 0.00 179.97 180.42 1wki h HIS 57 N 0.00 -0.63 -0.74 3.04 2.76 0.06 -3.41 115.15 116.23 1wki h HIS 57 Ca -0.01 -0.01 -0.61 0.00 -2.20 0.00 0.00 60.37 57.53 1wki h HIS 57 Cb 1.30 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 30.43 1wki h HIS 57 CO 0.00 -0.36 1.52 1.19 -1.30 0.00 0.00 177.93 178.97 1wki n PHE 58 N -5.36 1.26 -0.16 5.26 3.72 -0.94 -4.78 117.46 116.46 1wki n PHE 58 Ca -0.12 0.36 0.05 0.00 -0.05 0.00 0.00 57.45 57.69 1wki n PHE 58 Cb 0.29 -2.47 0.35 0.00 -0.94 0.00 0.00 39.48 36.71 1wki n PHE 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wki h ARG 59 N 12.89 0.74 -0.84 -1.08 3.08 -1.90 -1.43 114.38 125.85 1wki h ARG 59 Ca -0.19 -0.04 -0.48 0.00 0.07 0.00 0.00 59.98 59.34 1wki h ARG 59 Cb 1.33 -0.17 -0.27 0.00 0.08 0.00 0.00 29.97 30.94 1wki h ARG 59 CO 1.14 0.49 0.45 0.54 -1.07 0.00 0.00 179.97 181.51 1wki n ARG 60 N -4.47 2.34 -0.83 0.04 1.74 -1.26 -5.06 116.66 109.16 1wki n ARG 60 Ca 0.09 -3.19 0.11 0.00 -0.77 0.00 0.00 57.85 54.09 1wki n ARG 60 Cb 0.18 -2.13 -0.03 0.00 -1.02 0.00 0.00 32.46 29.46 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wki n GLY 61 N -1.06 -1.73 0.00 -0.13 0.00 -0.54 -5.00 105.19 96.73 1wki n GLY 61 Ca 0.54 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1wki n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 62 N -2.96 3.49 3.52 -0.02 0.00 -1.26 -4.69 105.19 103.26 1wki n GLY 62 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 1wki n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wki s LYS 63 N -2.01 1.88 -0.08 1.61 -2.85 -1.26 -4.79 119.74 112.24 1wki s LYS 63 Ca 0.00 -1.21 0.03 0.00 -1.00 0.00 0.00 55.97 53.79 1wki s LYS 63 Cb 0.00 -2.13 0.01 0.00 -2.06 0.00 0.00 37.83 33.65 1wki s LYS 63 CO 0.00 0.47 -0.16 0.42 0.10 0.00 0.00 175.35 176.18 1wki s ILE 64 N -1.33 1.43 -0.43 3.79 1.01 -1.26 -3.12 121.20 121.29 1wki s ILE 64 Ca 0.20 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 1wki s ILE 64 Cb -0.10 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.12 1wki s ILE 64 CO 0.12 0.42 0.47 -0.36 0.00 0.00 0.00 174.94 175.59 1wki s PHE 65 N 0.61 3.15 -0.02 3.97 0.40 0.23 -4.92 117.98 121.40 1wki s PHE 65 Ca -0.15 -0.38 -0.21 0.00 -0.60 0.00 0.00 56.93 55.59 1wki s PHE 65 Cb -0.16 -3.01 -0.05 0.00 0.51 0.00 0.00 43.02 40.31 1wki s PHE 65 CO 0.05 -0.75 0.59 0.42 0.70 0.00 0.00 175.22 176.23 1wki s ILE 66 N 2.23 4.95 -0.12 0.64 -1.09 -1.26 -2.59 121.20 123.96 1wki s ILE 66 Ca 0.13 1.23 0.10 0.00 -2.23 0.00 0.00 60.65 59.89 1wki s ILE 66 Cb -0.17 -3.93 -0.15 0.00 -1.58 0.00 0.00 42.46 36.63 1wki s ILE 66 CO 0.14 0.39 0.04 -1.14 -1.23 0.00 0.00 174.94 173.14 1wki n ARG 67 N 2.91 2.05 -2.45 2.79 0.63 -1.26 -5.00 116.66 116.34 1wki n ARG 67 Ca -0.06 -0.01 -0.38 0.00 -0.92 0.00 0.00 57.85 56.48 1wki n ARG 67 Cb 0.51 -1.30 -0.03 0.00 0.45 0.00 0.00 32.46 32.08 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1wki s ILE 68 N -2.29 3.49 -0.07 5.15 -4.36 -1.26 -5.06 121.20 116.80 1wki s ILE 68 Ca -0.06 1.23 -0.07 0.00 -0.26 0.00 0.00 60.65 61.49 1wki s ILE 68 Cb 0.04 -3.68 0.02 0.00 1.25 0.00 0.00 42.46 40.08 1wki s ILE 68 CO 0.48 0.10 0.20 0.12 0.24 0.00 0.00 174.94 176.08 1wki s PHE 69 N -1.49 -0.22 -0.45 1.37 5.36 -1.26 -5.07 117.98 116.22 1wki s PHE 69 Ca 0.55 0.53 -0.28 0.00 -0.96 0.00 0.00 56.93 56.78 1wki s PHE 69 Cb -0.27 0.07 0.03 0.00 -0.34 0.00 0.00 43.02 42.51 1wki s PHE 69 CO 0.33 -0.11 1.05 -1.25 -1.46 0.00 0.00 175.22 173.79 1wki s PRO 70 N 0.09 3.72 0.00 10.12 0.04 -1.26 -4.19 135.00 143.52 1wki s PRO 70 Ca -0.00 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1wki s PRO 70 Cb -0.01 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1wki s PRO 70 CO 0.00 -1.25 0.00 -0.25 0.04 0.00 0.00 177.00 175.54 1wki n ASP 71 N 7.47 1.71 -4.74 6.66 8.00 -0.78 -4.71 116.55 130.16 1wki n ASP 71 Ca 0.10 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.19 1wki n ASP 71 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1wki s LYS 72 N -1.88 4.43 0.83 -1.24 2.47 -1.16 -4.84 119.74 118.35 1wki s LYS 72 Ca 0.00 2.00 -0.11 0.00 -1.56 0.00 0.00 55.97 56.30 1wki s LYS 72 Cb 0.00 -3.20 0.09 0.00 -1.46 0.00 0.00 37.83 33.26 1wki s LYS 72 CO 0.00 -0.18 1.11 -1.25 0.16 0.00 0.00 175.35 175.18 1wki s PRO 73 N -0.28 1.75 -0.43 4.03 0.04 -1.26 -1.60 135.00 137.25 1wki s PRO 73 Ca 0.55 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.85 1wki s PRO 73 Cb -0.35 -1.83 0.12 0.00 0.04 0.00 0.00 34.50 32.48 1wki s PRO 73 CO 0.39 -2.02 0.20 -0.47 0.04 0.00 0.00 177.00 175.14 1wki s TYR 74 N -2.83 2.50 -0.28 0.56 6.14 -0.75 -4.74 117.35 117.95 1wki s TYR 74 Ca 0.63 -2.62 0.03 0.00 0.64 0.00 0.00 57.07 55.75 1wki s TYR 74 Cb -0.19 -2.26 0.07 0.00 0.42 0.00 0.00 41.96 40.00 1wki s TYR 74 CO 0.57 -0.80 -0.06 0.95 0.64 0.00 0.00 175.55 176.85 1wki s THR 75 N 0.40 2.31 -0.27 4.34 -4.23 -1.26 0.10 115.64 117.03 1wki s THR 75 Ca 0.16 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1wki s THR 75 Cb -0.23 -2.44 0.09 0.00 1.34 0.00 0.00 72.50 71.27 1wki s THR 75 CO -0.04 -0.17 0.12 -0.54 -0.54 0.00 0.00 174.62 173.45 1wki s LYS 76 N 1.08 0.19 -0.41 3.99 -0.14 -1.26 -5.06 119.74 118.12 1wki s LYS 76 Ca -0.04 -0.48 0.03 0.00 -1.36 0.00 0.00 55.97 54.11 1wki s LYS 76 Cb -0.20 -1.28 0.12 0.00 -1.68 0.00 0.00 37.83 34.79 1wki s LYS 76 CO -0.05 -0.97 0.17 0.15 -0.76 0.00 0.00 175.35 173.89 1wki s LYS 77 N 2.09 1.45 0.21 1.68 3.01 -1.26 -4.99 119.74 121.93 1wki s LYS 77 Ca 0.08 -2.00 -0.09 0.00 -1.01 0.00 0.00 55.97 52.95 1wki s LYS 77 Cb -0.16 -2.81 0.27 0.00 -1.01 0.00 0.00 37.83 34.12 1wki s LYS 77 CO -0.33 -1.06 1.77 -1.35 0.51 0.00 0.00 175.35 174.89 1wki h PRO 78 N 7.13 0.50 -7.21 -1.68 0.11 -2.06 -3.43 132.00 125.36 1wki h PRO 78 Ca -0.06 -0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.51 1wki h PRO 78 Cb 0.96 -0.11 0.11 0.00 0.11 0.00 0.00 31.00 32.06 1wki h PRO 78 CO 0.55 0.33 0.37 -0.51 -0.21 0.00 0.00 178.00 178.53 1wki s LEU 79 N -10.34 3.36 -0.37 2.35 2.01 -1.26 -4.45 118.68 109.98 1wki s LEU 79 Ca -0.13 1.99 -0.09 0.00 0.01 0.00 0.00 54.13 55.92 1wki s LEU 79 Cb 0.17 -4.55 0.01 0.00 0.01 0.00 0.00 46.19 41.83 1wki s LEU 79 CO 0.75 -1.67 0.33 -0.62 1.01 0.00 0.00 176.35 176.15 1wki n GLU 80 N -2.51 -2.89 -3.07 1.70 4.71 -1.26 -4.96 120.64 112.37 1wki n GLU 80 Ca 0.10 2.43 -0.40 0.00 -0.01 0.00 0.00 57.16 59.28 1wki n GLU 80 Cb 0.52 -5.54 -0.05 0.00 -1.01 0.00 0.00 31.44 25.36 1wki n GLU 80 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1wki s VAL 81 N -2.16 5.05 -1.02 2.62 1.01 -1.26 -4.20 120.40 120.44 1wki s VAL 81 Ca 0.14 1.38 -0.05 0.00 0.00 0.00 0.00 61.98 63.44 1wki s VAL 81 Cb -0.04 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1wki s VAL 81 CO 0.77 0.23 0.88 -1.14 0.00 0.00 0.00 175.10 175.85 1wki n ARG 82 N 3.97 -2.56 -3.75 2.72 3.00 -1.26 -5.04 116.66 113.75 1wki n ARG 82 Ca -0.02 0.83 -0.13 0.00 -0.00 0.00 0.00 57.85 58.53 1wki n ARG 82 Cb 0.51 -5.65 -0.14 0.00 0.00 0.00 0.00 32.46 27.19 1wki n ARG 82 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1wki s MET 83 N -4.42 0.14 0.00 -0.14 -1.94 -1.26 -5.08 119.30 106.60 1wki s MET 83 Ca 0.39 0.42 0.00 0.00 -1.71 0.00 0.00 55.69 54.80 1wki s MET 83 Cb -0.05 -0.14 0.00 0.00 2.01 0.00 0.00 34.83 36.65 1wki s MET 83 CO 0.70 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.97 1wki n GLY 84 N 4.12 -1.18 1.28 -0.03 0.00 -1.26 -5.04 105.19 103.09 1wki n GLY 84 Ca -0.25 0.74 0.08 0.00 0.00 0.00 0.00 46.02 46.59 1wki n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wki n LYS 85 N 0.00 3.65 0.00 1.61 4.76 -1.26 -4.76 118.16 122.16 1wki n LYS 85 Ca 0.00 -2.87 0.00 0.00 -2.87 0.00 0.00 58.31 52.57 1wki n LYS 85 Cb 0.00 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wki n GLY 86 N 0.22 0.00 3.52 0.72 0.00 -1.26 -5.16 105.19 103.24 1wki n GLY 86 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1wki n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wki s LYS 87 N 0.00 0.50 0.02 1.61 2.20 -1.26 -5.17 119.74 117.64 1wki s LYS 87 Ca 0.00 1.21 0.03 0.00 -0.36 0.00 0.00 55.97 56.85 1wki s LYS 87 Cb 0.00 0.72 -0.02 0.00 -1.51 0.00 0.00 37.83 37.03 1wki s LYS 87 CO 0.00 -0.22 -0.10 0.20 -0.36 0.00 0.00 175.35 174.87 1wki s GLY 88 N 2.79 0.54 -0.10 5.54 0.00 -1.26 -4.85 107.32 109.98 1wki s GLY 88 Ca -0.02 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1wki s GLY 88 CO -0.19 -0.58 -0.18 0.21 0.00 0.00 0.00 173.10 172.36 1wki s ASN 89 N -0.85 2.53 -0.21 1.64 3.84 -1.26 -5.12 114.94 115.51 1wki s ASN 89 Ca -0.01 -0.45 -0.07 0.00 0.21 0.00 0.00 52.86 52.54 1wki s ASN 89 Cb -0.06 -1.15 -0.03 0.00 -0.55 0.00 0.00 41.25 39.45 1wki s ASN 89 CO 0.00 0.06 0.05 0.54 -2.79 0.00 0.00 177.10 174.96 1wki s VAL 90 N 0.73 4.36 -0.54 -5.21 0.11 -1.26 -4.68 120.40 113.91 1wki s VAL 90 Ca -0.12 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1wki s VAL 90 Cb -0.16 -2.99 0.22 0.00 -1.53 0.00 0.00 36.38 31.91 1wki s VAL 90 CO 0.02 0.41 2.33 -0.62 -3.33 0.00 0.00 175.10 173.91 1wki n GLU 91 N 4.23 2.38 -0.23 1.54 -0.58 0.11 -5.00 120.64 123.10 1wki n GLU 91 Ca -0.17 -2.56 0.03 0.00 -0.42 0.00 0.00 57.16 54.05 1wki n GLU 91 Cb 0.52 -2.07 -0.01 0.00 -0.57 0.00 0.00 31.44 29.31 1wki n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wki n GLY 92 N 0.18 -1.66 3.89 0.62 0.00 -1.26 -4.73 105.19 102.24 1wki n GLY 92 Ca 0.48 -1.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 1wki n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wki s TYR 93 N -1.62 3.15 0.24 1.61 1.51 -1.26 -1.81 117.35 119.17 1wki s TYR 93 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1wki s TYR 93 Cb 0.00 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1wki s TYR 93 CO 0.00 0.35 0.21 0.14 -1.11 0.00 0.00 175.55 175.14 1wki s VAL 94 N -2.14 0.00 -0.29 0.71 -7.23 -0.63 -3.47 120.40 107.35 1wki s VAL 94 Ca 0.37 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1wki s VAL 94 Cb -0.08 -2.49 0.09 0.00 0.56 0.00 0.00 36.38 34.46 1wki s VAL 94 CO 0.27 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 175.12 1wki s ALA 95 N -3.91 1.78 0.25 1.32 0.00 0.24 -1.87 121.76 119.56 1wki s ALA 95 Ca 0.38 -1.68 -0.31 0.00 0.00 0.00 0.00 51.96 50.34 1wki s ALA 95 Cb 0.05 -1.61 -0.12 0.00 0.00 0.00 0.00 23.12 21.44 1wki s ALA 95 CO 0.16 -1.55 1.64 0.28 0.00 0.00 0.00 175.76 176.28 1wki n VAL 96 N 4.74 0.54 -4.37 0.00 0.31 -1.26 -2.64 118.33 115.64 1wki n VAL 96 Ca -0.03 -0.13 -0.19 0.00 -0.01 0.00 0.00 64.34 63.97 1wki n VAL 96 Cb 0.43 -1.91 -0.10 0.00 -0.91 0.00 0.00 33.84 31.34 1wki n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wki s VAL 97 N 0.53 1.64 0.16 2.52 1.01 -0.39 -4.97 120.40 120.90 1wki s VAL 97 Ca 0.70 -2.16 0.05 0.00 0.00 0.00 0.00 61.98 60.56 1wki s VAL 97 Cb -0.52 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1wki s VAL 97 CO 0.41 -0.47 -0.11 -0.54 0.00 0.00 0.00 175.10 174.39 1wki s LYS 98 N -3.69 1.11 -0.20 2.72 3.01 -1.26 -3.01 119.74 118.43 1wki s LYS 98 Ca 0.25 -1.48 -0.34 0.00 -1.01 0.00 0.00 55.97 53.40 1wki s LYS 98 Cb 0.01 -0.72 -0.10 0.00 -1.01 0.00 0.00 37.83 36.01 1wki s LYS 98 CO 0.09 0.10 2.03 -2.30 0.51 0.00 0.00 175.35 175.77 1wki n PRO 99 N -0.23 1.78 0.00 -1.68 -0.02 -1.23 -2.10 135.00 131.52 1wki n PRO 99 Ca -0.10 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1wki n PRO 99 Cb 0.61 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1wki n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wki n GLY 100 N 5.28 1.76 3.38 -1.23 0.00 0.27 -4.93 105.19 109.72 1wki n GLY 100 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 1wki n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki s ARG 101 N -0.55 3.48 -0.57 1.61 3.00 -0.89 -3.30 118.95 121.72 1wki s ARG 101 Ca 0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 55.73 54.85 1wki s ARG 101 Cb 0.00 -2.93 0.02 0.00 0.00 0.00 0.00 34.95 32.04 1wki s ARG 101 CO 0.00 0.01 1.30 0.08 0.00 0.00 0.00 175.30 176.69 1wki s VAL 102 N 0.95 3.90 -0.59 3.52 1.01 -1.25 0.79 120.40 128.72 1wki s VAL 102 Ca -0.00 0.78 0.24 0.00 0.00 0.00 0.00 61.98 63.00 1wki s VAL 102 Cb -0.15 -4.59 0.11 0.00 0.00 0.00 0.00 36.38 31.75 1wki s VAL 102 CO 0.01 -1.27 1.39 0.24 0.00 0.00 0.00 175.10 175.47 1wki h MET 103 N 10.27 0.00 -3.38 2.72 2.86 0.32 -3.43 114.93 124.30 1wki h MET 103 Ca -0.26 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.29 1wki h MET 103 Cb 1.07 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.57 1wki h MET 103 CO 1.18 0.00 -0.24 -0.06 1.06 0.00 0.00 176.91 178.86 1wki s PHE 104 N -3.18 -0.09 -0.21 -0.22 0.40 -1.15 -4.13 117.98 109.40 1wki s PHE 104 Ca 0.06 -0.11 -0.08 0.00 -0.60 0.00 0.00 56.93 56.20 1wki s PHE 104 Cb 0.12 0.10 0.09 0.00 0.51 0.00 0.00 43.02 43.84 1wki s PHE 104 CO 0.70 -0.54 0.47 -1.21 0.70 0.00 0.00 175.22 175.34 1wki s GLU 105 N -2.90 0.39 0.28 0.44 8.01 -1.07 0.70 118.70 124.55 1wki s GLU 105 Ca -0.03 1.08 0.08 0.00 0.01 0.00 0.00 54.97 56.11 1wki s GLU 105 Cb 0.00 0.36 -0.04 0.00 -4.31 0.00 0.00 34.13 30.15 1wki s GLU 105 CO -0.06 -0.23 0.17 0.14 0.01 0.00 0.00 175.26 175.30 1wki s VAL 106 N 2.45 3.95 -0.21 2.63 -7.23 -1.18 0.77 120.40 121.57 1wki s VAL 106 Ca -0.04 -1.52 -0.19 0.00 -1.81 0.00 0.00 61.98 58.42 1wki s VAL 106 Cb -0.11 -3.22 0.05 0.00 0.56 0.00 0.00 36.38 33.67 1wki s VAL 106 CO -0.14 -0.30 0.55 0.00 -0.31 0.00 0.00 175.10 174.90 1wki s ALA 107 N -2.23 -1.37 0.00 1.32 0.00 -1.18 0.14 121.76 118.43 1wki s ALA 107 Ca 0.35 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1wki s ALA 107 Cb -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1wki s ALA 107 CO 0.24 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1wki n GLY 108 N 2.81 3.10 3.82 0.00 0.00 -1.26 -4.09 105.19 109.57 1wki n GLY 108 Ca -0.14 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1wki n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wki s VAL 109 N -0.88 3.06 0.69 1.61 -7.23 -1.26 -5.07 120.40 111.32 1wki s VAL 109 Ca 0.00 0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 60.40 1wki s VAL 109 Cb 0.00 -3.13 0.16 0.00 0.56 0.00 0.00 36.38 33.97 1wki s VAL 109 CO 0.00 -0.45 0.87 0.35 -0.31 0.00 0.00 175.10 175.56 1wki n THR 110 N -3.39 0.00 -0.02 5.32 -2.24 -1.26 -4.78 114.28 107.91 1wki n THR 110 Ca 0.07 -0.60 -0.17 0.00 -2.27 0.00 0.00 64.05 61.08 1wki n THR 110 Cb 0.57 -1.57 -0.07 0.00 -2.10 0.00 0.00 70.33 67.15 1wki n THR 110 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wki h GLU 111 N 0.00 0.79 -0.34 -0.78 4.81 -1.97 0.23 114.58 117.32 1wki h GLU 111 Ca -0.29 -0.65 -0.01 0.00 -0.13 0.00 0.00 59.36 58.28 1wki h GLU 111 Cb 0.81 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1wki h GLU 111 CO 0.20 1.26 0.17 1.49 -0.73 0.00 0.00 179.01 181.39 1wki h GLU 112 N 0.54 0.48 -0.04 1.92 4.57 -1.98 0.51 114.58 120.57 1wki h GLU 112 Ca -0.05 -0.07 -0.25 0.00 -1.18 0.00 0.00 59.36 57.81 1wki h GLU 112 Cb 1.42 -0.09 0.02 0.00 -0.16 0.00 0.00 28.75 29.94 1wki h GLU 112 CO 0.16 0.44 -0.94 1.96 -1.18 0.00 0.00 179.01 179.45 1wki h GLN 113 N 0.41 0.72 -0.10 1.92 4.20 -1.94 -2.43 115.11 117.88 1wki h GLN 113 Ca 0.12 -0.71 -0.02 0.00 0.06 0.00 0.00 58.65 58.09 1wki h GLN 113 Cb 0.11 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1wki h GLN 113 CO -0.02 1.30 -0.02 0.00 -0.67 0.00 0.00 178.83 179.42 1wki h ALA 114 N 0.44 0.14 -0.39 3.87 0.00 -0.86 0.25 119.26 122.71 1wki h ALA 114 Ca -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wki h ALA 114 Cb 1.59 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1wki h ALA 114 CO 0.19 -0.13 0.19 0.52 0.00 0.00 0.00 179.25 180.01 1wki h MET 115 N -0.13 0.55 -0.11 0.00 2.86 -0.08 0.18 114.93 118.21 1wki h MET 115 Ca 0.03 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1wki h MET 115 Cb 0.43 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1wki h MET 115 CO 0.01 0.48 0.04 1.49 1.06 0.00 0.00 176.91 179.99 1wki h GLU 116 N 0.49 0.17 -0.11 1.72 4.81 -1.44 -0.41 114.58 119.81 1wki h GLU 116 Ca 0.13 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1wki h GLU 116 Cb 0.11 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1wki h GLU 116 CO -0.02 0.29 0.07 0.00 -0.73 0.00 0.00 179.01 178.62 1wki h ALA 117 N 0.87 0.14 -0.15 2.92 0.00 -0.81 0.17 119.26 122.40 1wki h ALA 117 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wki h ALA 117 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1wki h ALA 117 CO -0.00 -0.36 0.10 -0.07 0.00 0.00 0.00 179.25 178.92 1wki h LEU 118 N 0.13 0.17 -0.06 0.00 4.07 -0.57 -2.09 115.31 116.95 1wki h LEU 118 Ca 0.04 -0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.83 1wki h LEU 118 Cb 0.01 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 41.72 1wki h LEU 118 CO -0.01 0.12 -0.62 0.03 -1.08 0.00 0.00 178.44 176.89 1wki h ARG 119 N 0.20 0.53 -0.86 1.13 3.08 -0.30 -3.15 114.38 115.01 1wki h ARG 119 Ca 0.06 -0.49 0.12 0.00 0.07 0.00 0.00 59.98 59.74 1wki h ARG 119 Cb -0.02 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 1wki h ARG 119 CO -0.01 1.12 0.56 0.82 -1.07 0.00 0.00 179.97 181.39 1wki h ILE 120 N 0.11 0.89 -0.51 2.04 2.04 -0.01 0.21 117.51 122.28 1wki h ILE 120 Ca -0.06 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1wki h ILE 120 Cb 1.29 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1wki h ILE 120 CO 0.13 0.13 0.12 0.00 0.00 0.00 0.00 178.15 178.53 1wki h ALA 121 N 1.59 0.67 0.00 1.87 0.00 -1.47 -2.73 119.26 119.19 1wki h ALA 121 Ca 0.42 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1wki h ALA 121 Cb 0.59 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wki h ALA 121 CO -0.18 0.37 -0.14 0.78 0.00 0.00 0.00 179.25 180.07 1wki h GLY 122 N 0.70 0.00 0.73 0.00 0.00 -1.13 -3.24 103.07 100.14 1wki h GLY 122 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.54 1wki h GLY 122 CO 0.00 0.00 0.44 0.84 0.00 0.00 0.00 176.54 177.83 1wki h HIS 123 N 0.00 0.82 -0.01 5.60 6.17 -0.32 -0.37 115.15 127.05 1wki h HIS 123 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1wki h HIS 123 Cb 0.91 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 30.58 1wki h HIS 123 CO 0.00 0.42 -0.02 0.36 0.71 0.00 0.00 177.93 179.40 1wki n LYS 124 N -4.70 1.35 -2.85 5.26 0.00 -1.22 -4.89 118.16 111.11 1wki n LYS 124 Ca 0.10 -0.61 -0.31 0.00 -0.00 0.00 0.00 58.31 57.48 1wki n LYS 124 Cb 0.16 -1.49 -0.04 0.00 -0.00 0.00 0.00 35.03 33.65 1wki n LYS 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1wki s LEU 125 N -2.07 3.87 -0.12 -5.58 1.43 -0.15 -4.97 118.68 111.09 1wki s LEU 125 Ca 0.39 1.30 0.05 0.00 -1.03 0.00 0.00 54.13 54.85 1wki s LEU 125 Cb 0.21 -4.17 0.35 0.00 0.03 0.00 0.00 46.19 42.61 1wki s LEU 125 CO 0.37 -0.37 1.11 -0.81 0.23 0.00 0.00 176.35 176.88 1wki n PRO 126 N -1.02 2.52 -3.93 1.29 -0.04 -1.26 -4.88 135.00 127.68 1wki n PRO 126 Ca 0.04 -1.38 -0.09 0.00 -0.04 0.00 0.00 63.50 62.02 1wki n PRO 126 Cb 0.54 -1.78 -0.07 0.00 -0.04 0.00 0.00 33.50 32.14 1wki n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1wki s ILE 127 N -1.72 0.10 0.02 0.52 -5.25 -1.26 -4.95 121.20 108.66 1wki s ILE 127 Ca 0.24 -1.33 -0.30 0.00 -0.99 0.00 0.00 60.65 58.27 1wki s ILE 127 Cb 0.19 -1.62 -0.04 0.00 2.95 0.00 0.00 42.46 43.94 1wki s ILE 127 CO 0.07 -0.48 1.01 -0.75 -1.79 0.00 0.00 174.94 173.00 1wki s LYS 128 N -3.92 4.56 0.03 0.37 2.36 -1.26 -4.92 119.74 116.94 1wki s LYS 128 Ca 0.12 1.47 0.02 0.00 -2.55 0.00 0.00 55.97 55.04 1wki s LYS 128 Cb 0.04 -3.43 -0.02 0.00 -1.05 0.00 0.00 37.83 33.37 1wki s LYS 128 CO -0.05 -0.05 -0.08 0.95 1.55 0.00 0.00 175.35 177.67 1wki s THR 129 N 0.90 0.57 0.11 3.43 -4.23 -1.26 0.12 115.64 115.27 1wki s THR 129 Ca 0.52 -0.77 0.05 0.00 -1.18 0.00 0.00 61.69 60.31 1wki s THR 129 Cb -0.22 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 1wki s THR 129 CO 0.28 -0.16 -0.12 -1.59 -0.54 0.00 0.00 174.62 172.50 1wki s LYS 130 N -1.01 0.92 0.09 3.99 -2.85 -0.87 -4.96 119.74 115.05 1wki s LYS 130 Ca -0.04 -1.17 -0.25 0.00 -1.00 0.00 0.00 55.97 53.51 1wki s LYS 130 Cb -0.07 -0.73 -0.07 0.00 -2.06 0.00 0.00 37.83 34.90 1wki s LYS 130 CO 0.00 0.13 0.75 0.42 0.10 0.00 0.00 175.35 176.76 1wki s ILE 131 N -2.16 4.59 -0.15 3.79 -1.09 -1.26 -2.37 121.20 122.54 1wki s ILE 131 Ca 0.06 1.62 -0.08 0.00 -2.23 0.00 0.00 60.65 60.02 1wki s ILE 131 Cb -0.05 -4.10 0.06 0.00 -1.58 0.00 0.00 42.46 36.79 1wki s ILE 131 CO 0.02 0.44 0.36 0.68 -1.23 0.00 0.00 174.94 175.21 1wki s VAL 132 N -0.58 -0.08 0.94 2.92 -7.23 -0.70 -4.96 120.40 110.71 1wki s VAL 132 Ca 0.36 0.12 -0.12 0.00 -1.81 0.00 0.00 61.98 60.54 1wki s VAL 132 Cb -0.21 -0.54 0.15 0.00 0.56 0.00 0.00 36.38 36.33 1wki s VAL 132 CO 0.24 0.05 1.09 -0.60 -0.31 0.00 0.00 175.10 175.57 1wki s ARG 133 N 1.47 0.92 0.00 4.82 3.52 -1.25 0.57 118.95 129.00 1wki s ARG 133 Ca -0.09 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 1wki s ARG 133 Cb -0.09 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 1wki s ARG 133 CO -0.11 -2.48 0.29 0.54 -0.81 0.00 0.00 175.30 172.73 1wki n ARG 134 N -4.05 0.00 -0.72 5.12 1.74 0.19 -1.72 116.66 117.22 1wki n ARG 134 Ca 0.07 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.11 1wki n ARG 134 Cb 0.55 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.61 1wki n ARG 134 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wki n ASP 135 N -0.77 -0.51 -4.05 0.55 8.00 -1.26 -4.82 116.55 113.69 1wki n ASP 135 Ca 0.00 -1.30 -0.34 0.00 0.71 0.00 0.00 54.79 53.86 1wki n ASP 135 Cb 0.00 0.15 -0.12 0.00 -0.02 0.00 0.00 41.12 41.13 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wki s ALA 136 N 0.00 3.32 -0.28 2.24 0.00 -0.70 -5.04 121.76 121.29 1wki s ALA 136 Ca 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 51.96 48.97 1wki s ALA 136 Cb 0.00 -2.38 0.08 0.00 0.00 0.00 0.00 23.12 20.83 1wki s ALA 136 CO 0.00 -1.95 0.04 0.71 0.00 0.00 0.00 175.76 174.56 1wki s TYR 137 N 0.30 2.20 -0.78 0.00 1.51 -1.26 -3.95 117.35 115.37 1wki s TYR 137 Ca 0.14 -1.87 -0.23 0.00 -1.01 0.00 0.00 57.07 54.11 1wki s TYR 137 Cb -0.22 -1.82 0.07 0.00 -0.11 0.00 0.00 41.96 39.89 1wki s TYR 137 CO -0.03 -0.83 1.12 0.34 -1.11 0.00 0.00 175.55 175.03 1wki s ASP 138 N 1.45 6.31 0.98 2.29 -1.08 -1.26 -5.02 116.67 120.34 1wki s ASP 138 Ca 0.04 -1.17 -0.13 0.00 -0.52 0.00 0.00 52.55 50.77 1wki s ASP 138 Cb -0.18 -2.46 0.18 0.00 -1.46 0.00 0.00 42.92 39.00 1wki s ASP 138 CO -0.15 -1.45 1.12 -1.61 0.52 0.00 0.00 175.17 173.61 1wki s GLU 139 N 4.20 0.57 -0.53 4.34 0.41 -1.26 -5.02 118.70 121.42 1wki s GLU 139 Ca 0.30 0.35 -0.06 0.00 -0.41 0.00 0.00 54.97 55.15 1wki s GLU 139 Cb -0.11 -1.77 0.14 0.00 -1.78 0.00 0.00 34.13 30.61 1wki s GLU 139 CO 0.04 -2.59 0.37 0.00 -0.49 0.00 0.00 175.26 172.58 1wki s ALA 140 N -3.12 3.43 0.00 5.21 0.00 -1.26 -5.34 121.76 120.68 1wki s ALA 140 Ca 0.65 -2.81 0.00 0.00 0.00 0.00 0.00 51.96 49.80 1wki s ALA 140 Cb -0.16 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1wki s ALA 140 CO 0.56 -1.96 0.00 1.04 0.00 0.00 0.00 175.76 175.39