#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 1.67 -3.36 4.03 -0.00 -1.26 -4.88 117.00 113.20 1wki n LEU 2 Ca 0.00 -0.05 -0.23 0.00 -0.00 0.00 0.00 56.01 55.72 1wki n LEU 2 Cb 0.00 -0.19 -0.09 0.00 -0.00 0.00 0.00 43.42 43.13 1wki n LEU 2 CO 0.00 0.59 -0.25 -0.32 -0.00 0.00 0.00 177.39 177.42 1wki s MET 3 N -2.34 0.72 0.00 1.47 0.00 -1.26 -5.04 119.30 112.85 1wki s MET 3 Ca -0.16 -1.44 -0.03 0.00 0.00 0.00 0.00 55.69 54.06 1wki s MET 3 Cb 0.05 -1.10 -0.01 0.00 0.00 0.00 0.00 34.83 33.77 1wki s MET 3 CO 0.47 -1.27 0.71 -1.00 0.00 0.00 0.00 175.02 173.93 1wki h PRO 4 N 6.44 -0.09 -1.07 4.11 0.13 -2.11 -3.46 132.00 135.95 1wki h PRO 4 Ca 0.13 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.37 1wki h PRO 4 Cb 0.98 0.02 -0.21 0.00 0.13 0.00 0.00 31.00 31.92 1wki h PRO 4 CO 0.26 -0.06 -0.20 1.03 -0.23 0.00 0.00 178.00 178.80 1wki s ARG 5 N -2.57 0.53 -0.02 0.86 0.52 -1.26 -5.04 118.95 111.97 1wki s ARG 5 Ca -0.01 1.00 0.01 0.00 -0.52 0.00 0.00 55.73 56.21 1wki s ARG 5 Cb 0.00 0.57 0.01 0.00 0.52 0.00 0.00 34.95 36.05 1wki s ARG 5 CO 0.04 -0.51 -0.03 1.03 0.02 0.00 0.00 175.30 175.85 1wki s ARG 6 N 2.86 0.36 -0.21 3.54 3.00 -1.26 -5.14 118.95 122.11 1wki s ARG 6 Ca 0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 55.73 55.73 1wki s ARG 6 Cb -0.14 -0.42 -0.04 0.00 0.00 0.00 0.00 34.95 34.35 1wki s ARG 6 CO -0.20 -0.01 0.09 1.41 0.00 0.00 0.00 175.30 176.60 1wki s MET 7 N 0.38 3.97 -0.82 3.54 1.75 -1.26 -5.04 119.30 121.83 1wki s MET 7 Ca -0.04 -0.33 -0.25 0.00 -1.25 0.00 0.00 55.69 53.81 1wki s MET 7 Cb -0.07 -3.33 0.01 0.00 2.84 0.00 0.00 34.83 34.28 1wki s MET 7 CO -0.01 0.15 1.56 0.21 -0.65 0.00 0.00 175.02 176.29 1wki s LYS 8 N 0.74 3.07 -0.43 4.11 2.36 -1.26 -4.84 119.74 123.49 1wki s LYS 8 Ca 0.05 -0.31 0.06 0.00 -2.55 0.00 0.00 55.97 53.22 1wki s LYS 8 Cb -0.13 -4.70 0.18 0.00 -1.05 0.00 0.00 37.83 32.13 1wki s LYS 8 CO 0.02 -2.50 0.57 -0.47 1.55 0.00 0.00 175.35 174.52 1wki s TYR 9 N 6.98 -1.16 -0.31 4.03 6.14 -1.26 -5.12 117.35 126.65 1wki s TYR 9 Ca 0.51 -0.40 -0.05 0.00 0.64 0.00 0.00 57.07 57.77 1wki s TYR 9 Cb -0.07 0.06 0.03 0.00 0.42 0.00 0.00 41.96 42.40 1wki s TYR 9 CO 0.07 -1.13 0.06 0.50 0.64 0.00 0.00 175.55 175.69 1wki s ARG 10 N 1.37 2.75 0.24 4.97 3.52 -1.26 -4.98 118.95 125.56 1wki s ARG 10 Ca 0.21 -1.08 -0.07 0.00 -0.13 0.00 0.00 55.73 54.66 1wki s ARG 10 Cb -0.05 -3.33 0.23 0.00 -1.56 0.00 0.00 34.95 30.23 1wki s ARG 10 CO -0.06 -0.56 1.90 0.87 -0.81 0.00 0.00 175.30 176.63 1wki h LYS 11 N 8.16 1.26 -6.24 5.12 6.56 -2.03 -3.41 116.57 126.00 1wki h LYS 11 Ca -0.26 -0.10 -0.56 0.00 -1.06 0.00 0.00 60.65 58.67 1wki h LYS 11 Cb 1.09 -0.27 -0.02 0.00 -0.57 0.00 0.00 32.23 32.46 1wki h LYS 11 CO 0.59 0.86 1.06 -0.65 -2.06 0.00 0.00 179.45 179.25 1wki s GLN 12 N -6.02 4.09 0.22 3.15 1.11 -1.26 -4.98 119.66 115.97 1wki s GLN 12 Ca -0.13 1.94 -0.30 0.00 0.01 0.00 0.00 55.36 56.89 1wki s GLN 12 Cb 0.17 -3.95 -0.08 0.00 -1.01 0.00 0.00 33.01 28.14 1wki s GLN 12 CO 0.82 -0.93 1.03 -0.65 0.01 0.00 0.00 175.29 175.56 1wki s GLN 13 N 4.08 4.71 0.26 2.91 1.11 -1.26 -4.95 119.66 126.52 1wki s GLN 13 Ca 0.69 1.63 0.08 0.00 0.01 0.00 0.00 55.36 57.76 1wki s GLN 13 Cb -0.29 -3.27 0.30 0.00 -1.01 0.00 0.00 33.01 28.75 1wki s GLN 13 CO 0.26 0.29 1.58 0.07 0.01 0.00 0.00 175.29 177.50 1wki h ARG 14 N 4.47 0.10 0.00 2.91 -0.00 -1.94 -3.48 114.38 116.45 1wki h ARG 14 Ca -0.45 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 59.46 1wki h ARG 14 Cb 1.21 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 1wki h ARG 14 CO 0.69 0.69 0.00 0.41 -0.00 0.00 0.00 179.97 181.76 1wki n GLY 15 N 0.27 -1.50 3.76 0.08 0.00 -1.26 -5.17 105.19 101.38 1wki n GLY 15 Ca -0.02 0.68 -0.23 0.00 0.00 0.00 0.00 46.02 46.45 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 0.41 2.33 1.20 1.61 3.52 -1.26 -5.12 118.95 121.63 1wki s ARG 16 Ca 0.00 -1.68 -0.14 0.00 -0.13 0.00 0.00 55.73 53.77 1wki s ARG 16 Cb 0.00 -2.12 0.27 0.00 -1.56 0.00 0.00 34.95 31.54 1wki s ARG 16 CO 0.00 -0.04 0.78 1.28 -0.81 0.00 0.00 175.30 176.51 1wki n LEU 17 N -1.25 -2.02 -1.85 -0.88 7.99 -1.26 -4.90 117.00 112.82 1wki n LEU 17 Ca -0.01 -0.22 -0.04 0.00 -0.01 0.00 0.00 56.01 55.73 1wki n LEU 17 Cb 0.63 -1.17 0.28 0.00 -0.11 0.00 0.00 43.42 43.05 1wki n LEU 17 CO 0.44 -3.36 0.94 0.29 -1.51 0.00 0.00 177.39 174.19 1wki n LYS 18 N -4.43 3.58 0.00 3.23 5.02 -1.26 -4.93 118.16 119.36 1wki n LYS 18 Ca 0.02 -2.71 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 1wki n LYS 18 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wki n GLY 19 N 0.00 -0.74 3.55 0.72 0.00 -1.26 -4.77 105.19 102.70 1wki n GLY 19 Ca 0.35 -1.29 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 1wki n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wki s ALA 20 N -3.17 1.42 0.37 4.61 0.00 -1.26 -4.90 121.76 118.83 1wki s ALA 20 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1wki s ALA 20 Cb 0.00 -4.44 -0.00 0.00 0.00 0.00 0.00 23.12 18.67 1wki s ALA 20 CO 0.00 -4.90 0.03 0.25 0.00 0.00 0.00 175.76 171.15 1wki n THR 21 N 8.11 0.00 -1.91 0.00 -2.24 -1.26 -5.15 114.28 111.83 1wki n THR 21 Ca 0.38 -1.87 -0.31 0.00 -2.27 0.00 0.00 64.05 59.98 1wki n THR 21 Cb 0.50 0.46 0.01 0.00 -2.10 0.00 0.00 70.33 69.19 1wki n THR 21 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wki s LYS 22 N -3.37 3.62 0.14 -0.78 2.20 -1.26 -5.09 119.74 115.21 1wki s LYS 22 Ca 0.05 0.77 0.01 0.00 -0.36 0.00 0.00 55.97 56.44 1wki s LYS 22 Cb 0.00 -2.08 -0.00 0.00 -1.51 0.00 0.00 37.83 34.23 1wki s LYS 22 CO 0.03 -0.55 0.04 0.41 -0.36 0.00 0.00 175.35 174.92 1wki n GLY 23 N -2.64 3.85 0.00 5.54 0.00 -1.26 -5.17 105.19 105.50 1wki n GLY 23 Ca 0.06 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 1.57 1.67 1.59 -0.02 0.00 -1.26 -5.03 105.19 103.72 1wki n GLY 24 Ca -0.03 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 1wki n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wki n ASP 25 N -2.24 -3.05 0.00 1.61 9.92 0.27 -5.00 116.55 118.05 1wki n ASP 25 Ca 0.00 -0.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 1wki n ASP 25 Cb 0.00 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 1wki n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wki n TYR 26 N -4.38 0.00 0.00 1.24 4.19 -1.26 -4.92 117.16 112.03 1wki n TYR 26 Ca 0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.28 1wki n TYR 26 Cb 0.29 -0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.12 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 -2.08 0.00 -4.51 2.97 0.31 -1.26 -4.73 118.33 109.03 1wki n VAL 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1wki n VAL 27 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.00 -0.74 3.52 0.00 -1.26 -4.84 120.51 117.19 1wki n ALA 28 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1wki n ALA 28 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.29 -1.56 0.00 0.00 3.72 -1.26 -4.82 117.46 113.26 1wki n PHE 29 Ca 0.00 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1wki n PHE 29 Cb 0.00 -1.64 0.00 0.00 -0.94 0.00 0.00 39.48 36.90 1wki n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wki n GLY 30 N 1.90 -0.77 0.13 1.37 0.00 -1.26 -4.77 105.19 101.80 1wki n GLY 30 Ca 0.03 -1.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.13 1wki n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wki n ASP 31 N -0.85 1.98 -4.90 1.61 9.92 0.16 -4.88 116.55 119.59 1wki n ASP 31 Ca 0.00 -0.03 -0.20 0.00 -0.53 0.00 0.00 54.79 54.03 1wki n ASP 31 Cb 0.00 -0.50 -0.02 0.00 -0.64 0.00 0.00 41.12 39.95 1wki n ASP 31 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1wki s TYR 32 N -2.52 2.76 -0.21 1.24 2.02 0.36 -2.59 117.35 118.40 1wki s TYR 32 Ca -0.36 -0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 55.77 1wki s TYR 32 Cb 0.10 -2.17 0.07 0.00 -0.40 0.00 0.00 41.96 39.56 1wki s TYR 32 CO 0.58 -0.15 0.52 0.20 -1.57 0.00 0.00 175.55 175.13 1wki s GLY 33 N -4.16 -0.45 -0.28 0.71 0.00 0.24 -2.58 107.32 100.80 1wki s GLY 33 Ca 0.49 1.88 -0.19 0.00 0.00 0.00 0.00 44.72 46.90 1wki s GLY 33 CO 0.29 1.95 0.57 -2.27 0.00 0.00 0.00 173.10 173.64 1wki s LEU 34 N 1.46 4.12 0.00 0.66 1.98 0.23 -1.58 118.68 125.54 1wki s LEU 34 Ca -0.09 0.45 0.00 0.00 -2.89 0.00 0.00 54.13 51.60 1wki s LEU 34 Cb -0.07 -2.73 -0.04 0.00 0.66 0.00 0.00 46.19 44.01 1wki s LEU 34 CO -0.15 -0.38 0.07 0.54 -1.89 0.00 0.00 176.35 174.54 1wki s VAL 35 N 2.45 4.66 -0.40 1.68 0.11 -0.77 -0.70 120.40 127.43 1wki s VAL 35 Ca 0.23 -0.46 -0.16 0.00 -2.93 0.00 0.00 61.98 58.66 1wki s VAL 35 Cb -0.15 -3.13 0.01 0.00 -1.53 0.00 0.00 36.38 31.57 1wki s VAL 35 CO 0.10 0.33 0.39 0.00 -3.33 0.00 0.00 175.10 172.60 1wki s ALA 36 N -1.20 3.45 -2.03 1.54 0.00 0.17 -2.22 121.76 121.47 1wki s ALA 36 Ca 0.23 -1.46 0.10 0.00 0.00 0.00 0.00 51.96 50.83 1wki s ALA 36 Cb -0.12 -2.96 0.44 0.00 0.00 0.00 0.00 23.12 20.49 1wki s ALA 36 CO 0.14 -1.42 1.31 1.28 0.00 0.00 0.00 175.76 177.07 1wki n LEU 37 N 5.47 0.59 -3.62 0.00 4.77 0.27 0.13 117.00 124.61 1wki n LEU 37 Ca -0.08 -0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 55.46 1wki n LEU 37 Cb 0.48 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1wki n LEU 37 CO 0.44 0.14 0.26 -0.70 -1.33 0.00 0.00 177.39 176.20 1wki s GLU 38 N -1.88 0.91 0.24 3.23 2.12 -1.25 -4.59 118.70 117.48 1wki s GLU 38 Ca 0.16 0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 1wki s GLU 38 Cb 0.08 0.42 -0.09 0.00 0.26 0.00 0.00 34.13 34.80 1wki s GLU 38 CO 0.12 -0.28 1.29 -2.14 -0.54 0.00 0.00 175.26 173.70 1wki s PRO 39 N -1.43 4.41 0.15 4.30 0.02 -1.26 -4.40 135.00 136.80 1wki s PRO 39 Ca -0.11 2.06 -0.25 0.00 0.02 0.00 0.00 61.00 62.72 1wki s PRO 39 Cb -0.02 -3.17 0.06 0.00 0.02 0.00 0.00 34.50 31.40 1wki s PRO 39 CO 0.06 -0.19 0.91 0.00 -0.33 0.00 0.00 177.00 177.46 1wki s ALA 40 N -0.30 -1.61 -0.28 -1.55 0.00 -1.18 -4.85 121.76 111.98 1wki s ALA 40 Ca 0.54 0.16 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 1wki s ALA 40 Cb -0.37 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1wki s ALA 40 CO 0.42 -1.00 0.05 -1.58 0.00 0.00 0.00 175.76 173.64 1wki s TRP 41 N -3.36 3.13 -0.30 0.00 0.51 -1.26 -1.75 118.94 115.90 1wki s TRP 41 Ca 0.11 -1.08 -0.21 0.00 -2.12 0.00 0.00 56.10 52.80 1wki s TRP 41 Cb -0.02 -2.21 -0.01 0.00 -0.81 0.00 0.00 33.47 30.42 1wki s TRP 41 CO 0.01 -0.60 0.69 0.42 -0.51 0.00 0.00 176.95 176.96 1wki s ILE 42 N 1.47 4.89 0.81 2.03 -1.09 -1.16 -4.80 121.20 123.35 1wki s ILE 42 Ca 0.02 1.01 -0.12 0.00 -2.23 0.00 0.00 60.65 59.33 1wki s ILE 42 Cb -0.17 -4.05 0.08 0.00 -1.58 0.00 0.00 42.46 36.74 1wki s ILE 42 CO 0.01 -0.16 1.15 0.42 -1.23 0.00 0.00 174.94 175.13 1wki s THR 43 N 2.73 2.34 0.21 2.92 -4.23 -1.26 -1.15 115.64 117.20 1wki s THR 43 Ca 0.28 0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 60.81 1wki s THR 43 Cb -0.15 -3.06 0.15 0.00 1.34 0.00 0.00 72.50 70.79 1wki s THR 43 CO 0.12 -0.14 1.82 0.00 -0.54 0.00 0.00 174.62 175.87 1wki h ALA 44 N -1.05 0.94 -0.93 3.99 0.00 -1.98 -2.08 119.26 118.15 1wki h ALA 44 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1wki h ALA 44 Cb 1.31 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1wki h ALA 44 CO 0.65 0.12 0.58 1.96 0.00 0.00 0.00 179.25 182.55 1wki h GLN 45 N 0.76 1.24 -0.54 0.00 1.08 -1.93 -2.19 115.11 113.53 1wki h GLN 45 Ca 0.31 -0.10 0.04 0.00 -1.45 0.00 0.00 58.65 57.44 1wki h GLN 45 Cb 0.15 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1wki h GLN 45 CO -0.16 0.85 0.36 1.96 -0.95 0.00 0.00 178.83 180.89 1wki h GLN 46 N 1.27 0.59 0.02 1.46 4.20 -1.74 2.53 115.11 123.44 1wki h GLN 46 Ca 0.34 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 1wki h GLN 46 Cb -0.09 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.56 1wki h GLN 46 CO -0.07 0.39 -0.01 0.82 -0.67 0.00 0.00 178.83 179.29 1wki h ILE 47 N 0.60 1.36 0.08 2.54 2.04 -1.25 -2.55 117.51 120.33 1wki h ILE 47 Ca 0.22 -1.22 -0.17 0.00 1.00 0.00 0.00 64.86 64.68 1wki h ILE 47 Cb 0.12 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1wki h ILE 47 CO -0.06 0.31 -0.86 -0.08 0.00 0.00 0.00 178.15 177.46 1wki h GLU 48 N -0.56 0.17 -0.43 2.37 4.81 -1.15 -3.05 114.58 116.73 1wki h GLU 48 Ca -0.00 -0.29 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1wki h GLU 48 Cb 0.53 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 1wki h GLU 48 CO 0.00 1.14 0.14 0.00 -0.73 0.00 0.00 179.01 179.56 1wki h ALA 49 N -0.06 0.51 -0.45 2.92 0.00 0.42 0.06 119.26 122.67 1wki h ALA 49 Ca -0.19 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1wki h ALA 49 Cb 1.47 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1wki h ALA 49 CO 0.04 -0.25 0.07 0.00 0.00 0.00 0.00 179.25 179.11 1wki h ALA 50 N 1.29 0.59 -0.76 0.00 0.00 -1.48 -2.85 119.26 116.05 1wki h ALA 50 Ca 0.20 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wki h ALA 50 Cb 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1wki h ALA 50 CO -0.22 0.32 0.50 0.00 0.00 0.00 0.00 179.25 179.84 1wki h ARG 51 N 0.60 0.97 -0.95 0.00 3.08 -1.31 -1.28 114.38 115.48 1wki h ARG 51 Ca 0.14 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.18 1wki h ARG 51 Cb 0.38 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 1wki h ARG 51 CO 0.01 0.64 0.62 0.28 -1.07 0.00 0.00 179.97 180.45 1wki h VAL 52 N 0.99 1.13 -0.23 2.04 2.07 -0.84 0.27 116.25 121.68 1wki h VAL 52 Ca 0.29 -0.40 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 1wki h VAL 52 Cb -0.06 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.58 1wki h VAL 52 CO -0.08 0.21 -0.52 0.00 0.02 0.00 0.00 177.57 177.20 1wki h ALA 53 N 1.46 0.64 -0.15 1.67 0.00 -1.16 -2.84 119.26 118.88 1wki h ALA 53 Ca 0.39 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1wki h ALA 53 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wki h ALA 53 CO -0.13 0.68 -0.26 0.52 0.00 0.00 0.00 179.25 180.06 1wki h MET 54 N 0.52 0.44 -0.82 0.00 2.07 -0.47 -2.37 114.93 114.30 1wki h MET 54 Ca 0.02 -0.28 0.08 0.00 -2.07 0.00 0.00 59.70 57.45 1wki h MET 54 Cb 1.08 0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 30.79 1wki h MET 54 CO 0.11 0.87 0.53 0.28 1.07 0.00 0.00 176.91 179.77 1wki h VAL 55 N 0.06 1.01 0.00 -2.22 2.07 -0.52 -0.79 116.25 115.85 1wki h VAL 55 Ca 0.01 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 1wki h VAL 55 Cb 0.85 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1wki h VAL 55 CO 0.06 0.15 -0.71 0.03 0.02 0.00 0.00 177.57 177.12 1wki h ARG 56 N 0.85 0.00 -0.12 1.57 3.08 -1.47 -3.27 114.38 115.01 1wki h ARG 56 Ca 0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 1wki h ARG 56 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1wki h ARG 56 CO -0.14 0.71 0.04 1.25 -1.07 0.00 0.00 179.97 180.76 1wki h HIS 57 N 0.00 0.18 -0.99 3.04 2.76 -0.60 -3.41 115.15 116.13 1wki h HIS 57 Ca -0.01 -0.02 -0.53 0.00 -2.20 0.00 0.00 60.37 57.62 1wki h HIS 57 Cb 1.30 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 30.18 1wki h HIS 57 CO 0.00 0.30 1.61 1.19 -1.30 0.00 0.00 177.93 179.74 1wki n PHE 58 N -4.89 1.22 -0.01 5.26 3.72 -0.97 -4.78 117.46 117.01 1wki n PHE 58 Ca -0.05 0.24 0.07 0.00 -0.05 0.00 0.00 57.45 57.65 1wki n PHE 58 Cb 0.13 -2.53 0.47 0.00 -0.94 0.00 0.00 39.48 36.61 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 15.35 0.44 -0.64 -1.08 3.08 -1.89 -1.53 114.38 128.11 1wki h ARG 59 Ca -0.19 -0.03 -0.38 0.00 0.07 0.00 0.00 59.98 59.45 1wki h ARG 59 Cb 1.30 -0.10 -0.22 0.00 0.08 0.00 0.00 29.97 31.02 1wki h ARG 59 CO 1.19 0.29 0.11 0.54 -1.07 0.00 0.00 179.97 181.03 1wki n ARG 60 N -4.48 2.30 -1.34 0.04 5.12 -1.26 -5.07 116.66 111.97 1wki n ARG 60 Ca 0.05 -3.32 0.17 0.00 -1.93 0.00 0.00 57.85 52.82 1wki n ARG 60 Cb 0.18 -2.03 -0.08 0.00 -1.16 0.00 0.00 32.46 29.37 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wki n GLY 61 N -1.04 -3.09 0.00 -0.13 0.00 -0.58 -4.98 105.19 95.37 1wki n GLY 61 Ca 0.45 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.18 1.16 3.64 -0.02 0.00 -1.26 -4.61 105.19 99.92 1wki n GLY 62 Ca -0.07 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 3.12 -0.14 1.61 0.00 -1.26 -4.86 119.74 116.21 1wki s LYS 63 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 55.97 55.53 1wki s LYS 63 Cb 0.00 -2.81 -0.01 0.00 0.00 0.00 0.00 37.83 35.00 1wki s LYS 63 CO 0.00 0.60 -0.12 0.42 0.00 0.00 0.00 175.35 176.25 1wki s ILE 64 N -0.62 3.07 -0.35 3.79 1.01 -1.26 -3.13 121.20 123.72 1wki s ILE 64 Ca 0.10 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 1wki s ILE 64 Cb -0.12 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1wki s ILE 64 CO 0.02 0.52 0.31 -0.36 0.00 0.00 0.00 174.94 175.43 1wki s PHE 65 N 0.47 3.22 -0.21 3.97 0.40 -0.09 -4.98 117.98 120.76 1wki s PHE 65 Ca -0.09 -0.14 -0.09 0.00 -0.60 0.00 0.00 56.93 56.00 1wki s PHE 65 Cb -0.16 -2.59 -0.05 0.00 0.51 0.00 0.00 43.02 40.74 1wki s PHE 65 CO 0.04 -0.42 0.12 0.42 0.70 0.00 0.00 175.22 176.09 1wki s ILE 66 N 1.88 5.19 -0.19 0.64 -1.09 -1.26 -2.79 121.20 123.59 1wki s ILE 66 Ca 0.09 0.12 0.16 0.00 -2.23 0.00 0.00 60.65 58.78 1wki s ILE 66 Cb -0.17 -3.38 0.47 0.00 -1.58 0.00 0.00 42.46 37.79 1wki s ILE 66 CO 0.11 0.41 1.36 -1.14 -1.23 0.00 0.00 174.94 174.45 1wki n ARG 67 N 3.83 2.32 -5.11 2.79 3.00 -1.23 -4.98 116.66 117.29 1wki n ARG 67 Ca -0.16 -2.85 -0.30 0.00 -0.00 0.00 0.00 57.85 54.54 1wki n ARG 67 Cb 0.52 -1.75 -0.17 0.00 0.00 0.00 0.00 32.46 31.06 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wki s ILE 68 N -2.92 1.87 -0.02 5.15 -4.36 -1.26 -5.03 121.20 114.63 1wki s ILE 68 Ca 0.40 -0.93 0.01 0.00 -0.26 0.00 0.00 60.65 59.87 1wki s ILE 68 Cb 0.34 -1.60 0.01 0.00 1.25 0.00 0.00 42.46 42.45 1wki s ILE 68 CO 0.06 0.52 -0.03 -0.36 0.24 0.00 0.00 174.94 175.36 1wki s PHE 69 N 0.15 0.42 -0.40 1.37 0.08 -1.26 -5.04 117.98 113.30 1wki s PHE 69 Ca -0.11 -0.07 -0.27 0.00 0.12 0.00 0.00 56.93 56.60 1wki s PHE 69 Cb -0.15 -0.35 -0.05 0.00 -0.57 0.00 0.00 43.02 41.90 1wki s PHE 69 CO 0.06 -0.06 2.19 -2.14 -0.10 0.00 0.00 175.22 175.16 1wki s PRO 70 N 0.33 2.65 -0.07 0.24 0.02 -1.26 -4.52 135.00 132.39 1wki s PRO 70 Ca -0.03 1.48 -0.01 0.00 0.02 0.00 0.00 61.00 62.45 1wki s PRO 70 Cb -0.07 -4.44 -0.04 0.00 0.02 0.00 0.00 34.50 29.98 1wki s PRO 70 CO -0.00 -2.65 -0.08 -0.40 -0.33 0.00 0.00 177.00 173.54 1wki n ASP 71 N 13.42 2.17 -4.75 2.53 5.68 -0.89 -4.70 116.55 130.01 1wki n ASP 71 Ca 0.30 0.02 -0.40 0.00 -0.50 0.00 0.00 54.79 54.21 1wki n ASP 71 Cb 0.50 -0.15 -0.05 0.00 -1.14 0.00 0.00 41.12 40.28 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1wki s LYS 72 N -2.13 4.78 0.61 0.11 -0.14 -0.86 -4.86 119.74 117.23 1wki s LYS 72 Ca -0.10 1.59 -0.16 0.00 -1.36 0.00 0.00 55.97 55.95 1wki s LYS 72 Cb 0.03 -3.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.89 1wki s LYS 72 CO 0.14 0.39 1.07 -1.25 -0.76 0.00 0.00 175.35 174.95 1wki s PRO 73 N -1.16 3.21 -0.73 -1.68 0.04 -1.26 -0.70 135.00 132.71 1wki s PRO 73 Ca 0.43 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.66 1wki s PRO 73 Cb -0.28 -2.01 0.19 0.00 0.04 0.00 0.00 34.50 32.44 1wki s PRO 73 CO 0.35 -0.91 0.60 -0.47 0.04 0.00 0.00 177.00 176.61 1wki s TYR 74 N -2.40 3.58 -0.16 0.56 6.14 -0.96 -4.74 117.35 119.37 1wki s TYR 74 Ca 0.65 -2.52 0.02 0.00 0.64 0.00 0.00 57.07 55.85 1wki s TYR 74 Cb -0.17 -3.42 0.01 0.00 0.42 0.00 0.00 41.96 38.80 1wki s TYR 74 CO 0.37 -0.88 -0.20 0.95 0.64 0.00 0.00 175.55 176.43 1wki s THR 75 N -0.16 2.14 -0.45 4.34 -4.23 -1.26 -2.78 115.64 113.24 1wki s THR 75 Ca 0.19 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 1wki s THR 75 Cb -0.15 -1.88 0.59 0.00 1.34 0.00 0.00 72.50 72.40 1wki s THR 75 CO -0.06 0.54 1.88 0.29 -0.54 0.00 0.00 174.62 176.73 1wki n LYS 76 N 4.33 2.22 -4.64 3.99 4.76 -1.26 -4.92 118.16 122.64 1wki n LYS 76 Ca -0.20 -2.83 -0.26 0.00 -2.87 0.00 0.00 58.31 52.14 1wki n LYS 76 Cb 0.51 -2.11 -0.14 0.00 -1.84 0.00 0.00 35.03 31.45 1wki n LYS 76 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wki s LYS 77 N -3.14 1.44 0.72 1.97 3.01 -1.26 -5.14 119.74 117.35 1wki s LYS 77 Ca 0.54 -1.03 -0.12 0.00 -1.01 0.00 0.00 55.97 54.35 1wki s LYS 77 Cb 0.45 -1.61 0.03 0.00 -1.01 0.00 0.00 37.83 35.69 1wki s LYS 77 CO 0.09 0.41 1.09 -1.25 0.51 0.00 0.00 175.35 176.19 1wki s PRO 78 N -1.33 2.56 -0.35 -1.68 0.04 -1.26 -4.90 135.00 128.07 1wki s PRO 78 Ca 0.09 1.20 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 1wki s PRO 78 Cb -0.09 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1wki s PRO 78 CO 0.02 -1.42 2.31 -1.17 0.04 0.00 0.00 177.00 176.79 1wki s LEU 79 N -5.50 3.42 -0.07 -3.56 0.20 -1.26 -4.56 118.68 107.35 1wki s LEU 79 Ca 0.62 1.48 0.03 0.00 0.69 0.00 0.00 54.13 56.96 1wki s LEU 79 Cb -0.18 -3.02 0.09 0.00 -0.43 0.00 0.00 46.19 42.65 1wki s LEU 79 CO 0.51 -2.42 0.66 -1.84 -0.29 0.00 0.00 176.35 172.97 1wki n GLU 80 N 8.89 0.29 -2.75 1.98 0.28 -1.26 -5.15 120.64 122.92 1wki n GLU 80 Ca 0.33 -0.38 -0.38 0.00 -0.16 0.00 0.00 57.16 56.57 1wki n GLU 80 Cb 0.50 0.28 -0.06 0.00 1.43 0.00 0.00 31.44 33.59 1wki n GLU 80 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1wki s VAL 81 N 0.03 4.11 0.05 3.84 1.01 -1.26 -5.06 120.40 123.11 1wki s VAL 81 Ca 0.02 1.90 0.04 0.00 0.00 0.00 0.00 61.98 63.94 1wki s VAL 81 Cb 0.09 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1wki s VAL 81 CO -0.03 0.29 -0.03 -0.60 0.00 0.00 0.00 175.10 174.73 1wki s ARG 82 N -1.69 2.53 -0.47 2.72 3.52 -1.26 -5.06 118.95 119.25 1wki s ARG 82 Ca 0.47 -0.79 -0.27 0.00 -0.13 0.00 0.00 55.73 55.00 1wki s ARG 82 Cb -0.22 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 1wki s ARG 82 CO 0.28 0.57 1.83 -1.64 -0.81 0.00 0.00 175.30 175.53 1wki s MET 83 N -1.94 2.98 0.00 5.12 -1.94 -1.26 -3.73 119.30 118.53 1wki s MET 83 Ca 0.22 1.04 0.00 0.00 -1.71 0.00 0.00 55.69 55.24 1wki s MET 83 Cb -0.11 -4.29 0.00 0.00 2.01 0.00 0.00 34.83 32.44 1wki s MET 83 CO 0.14 -2.30 0.00 0.41 -0.01 0.00 0.00 175.02 173.26 1wki n GLY 84 N 5.55 0.13 0.14 -0.03 0.00 -1.26 -5.00 105.19 104.71 1wki n GLY 84 Ca 0.22 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1wki n GLY 84 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wki h LYS 85 N 0.00 0.00 0.00 1.61 3.11 -2.02 -3.48 116.57 115.80 1wki h LYS 85 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1wki h LYS 85 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1wki h LYS 85 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.05 1wki n GLY 86 N 1.21 2.43 2.80 5.01 0.00 -1.26 -4.92 105.19 110.45 1wki n GLY 86 Ca 0.03 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1wki n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wki s LYS 87 N 0.00 0.12 -0.23 1.61 1.02 -1.26 -5.14 119.74 115.86 1wki s LYS 87 Ca 0.00 0.13 -0.11 0.00 0.02 0.00 0.00 55.97 56.00 1wki s LYS 87 Cb 0.00 -0.34 0.08 0.00 -0.52 0.00 0.00 37.83 37.05 1wki s LYS 87 CO 0.00 -0.14 0.55 0.20 -0.92 0.00 0.00 175.35 175.03 1wki s GLY 88 N 0.99 -0.50 -0.11 -3.33 0.00 -1.26 -5.15 107.32 97.96 1wki s GLY 88 Ca -0.09 1.97 0.03 0.00 0.00 0.00 0.00 44.72 46.62 1wki s GLY 88 CO -0.02 2.27 -0.18 0.21 0.00 0.00 0.00 173.10 175.37 1wki s ASN 89 N 1.92 2.65 0.15 1.64 3.84 -1.26 -5.13 114.94 118.75 1wki s ASN 89 Ca -0.08 -0.48 -0.02 0.00 0.21 0.00 0.00 52.86 52.49 1wki s ASN 89 Cb -0.08 -1.21 -0.05 0.00 -0.55 0.00 0.00 41.25 39.36 1wki s ASN 89 CO -0.16 0.07 0.35 0.54 -2.79 0.00 0.00 177.10 175.11 1wki s VAL 90 N 0.74 5.22 -0.71 -5.21 0.11 -1.26 -5.00 120.40 114.29 1wki s VAL 90 Ca -0.11 -0.20 -0.05 0.00 -2.93 0.00 0.00 61.98 58.69 1wki s VAL 90 Cb -0.16 -3.67 0.02 0.00 -1.53 0.00 0.00 36.38 31.05 1wki s VAL 90 CO 0.02 -0.03 2.79 -0.62 -3.33 0.00 0.00 175.10 173.93 1wki n GLU 91 N -0.19 3.04 -0.86 1.54 -0.58 -1.12 -4.98 120.64 117.49 1wki n GLU 91 Ca -0.04 -2.47 0.12 0.00 -0.42 0.00 0.00 57.16 54.35 1wki n GLU 91 Cb 0.52 -2.30 -0.03 0.00 -0.57 0.00 0.00 31.44 29.07 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 1.49 -1.40 3.78 0.62 0.00 -1.26 -4.51 105.19 103.90 1wki n GLY 92 Ca 0.54 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.38 3.12 0.24 1.61 1.51 -1.26 -2.28 117.35 118.91 1wki s TYR 93 Ca 0.00 -0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1wki s TYR 93 Cb 0.00 -1.52 -0.05 0.00 -0.11 0.00 0.00 41.96 40.29 1wki s TYR 93 CO 0.00 0.52 0.12 0.14 -1.11 0.00 0.00 175.55 175.21 1wki s VAL 94 N -1.67 0.32 -0.33 0.71 -7.23 0.12 -3.70 120.40 108.62 1wki s VAL 94 Ca 0.30 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1wki s VAL 94 Cb -0.10 -2.57 0.09 0.00 0.56 0.00 0.00 36.38 34.35 1wki s VAL 94 CO 0.22 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 175.04 1wki s ALA 95 N -3.90 2.84 0.21 1.32 0.00 -0.30 -2.04 121.76 119.90 1wki s ALA 95 Ca 0.38 -2.35 -0.32 0.00 0.00 0.00 0.00 51.96 49.66 1wki s ALA 95 Cb 0.07 -1.92 -0.13 0.00 0.00 0.00 0.00 23.12 21.15 1wki s ALA 95 CO 0.14 -1.58 1.62 0.28 0.00 0.00 0.00 175.76 176.21 1wki n VAL 96 N 4.32 0.27 -4.34 0.00 0.31 -1.26 -2.96 118.33 114.66 1wki n VAL 96 Ca -0.01 -0.07 -0.19 0.00 -0.01 0.00 0.00 64.34 64.07 1wki n VAL 96 Cb 0.42 -1.77 -0.10 0.00 -0.91 0.00 0.00 33.84 31.48 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 0.76 1.72 0.16 2.52 1.01 -0.72 -5.00 120.40 120.85 1wki s VAL 97 Ca 0.74 -2.17 0.05 0.00 0.00 0.00 0.00 61.98 60.59 1wki s VAL 97 Cb -0.58 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1wki s VAL 97 CO 0.39 -0.57 -0.11 -0.54 0.00 0.00 0.00 175.10 174.27 1wki s LYS 98 N -3.55 1.11 -0.11 2.72 1.02 -1.26 -3.11 119.74 116.56 1wki s LYS 98 Ca 0.21 -1.48 -0.35 0.00 0.02 0.00 0.00 55.97 54.37 1wki s LYS 98 Cb -0.01 -0.71 -0.12 0.00 -0.52 0.00 0.00 37.83 36.47 1wki s LYS 98 CO 0.07 0.09 1.87 -2.30 -0.92 0.00 0.00 175.35 174.15 1wki n PRO 99 N -0.24 2.06 -0.54 -1.68 -0.02 -1.23 -2.18 135.00 131.17 1wki n PRO 99 Ca -0.10 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1wki n PRO 99 Cb 0.61 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 4.38 1.44 3.44 -1.23 0.00 0.34 -4.71 105.19 108.85 1wki n GLY 100 Ca 0.23 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1wki n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wki s ARG 101 N -1.65 3.58 -0.67 1.61 6.06 -0.93 0.93 118.95 127.88 1wki s ARG 101 Ca 0.00 -0.56 -0.26 0.00 -2.50 0.00 0.00 55.73 52.41 1wki s ARG 101 Cb 0.00 -2.92 0.04 0.00 0.06 0.00 0.00 34.95 32.12 1wki s ARG 101 CO 0.00 0.12 1.16 0.08 -2.50 0.00 0.00 175.30 174.16 1wki s VAL 102 N 0.67 3.97 -0.08 7.11 1.01 -1.26 -0.66 120.40 131.16 1wki s VAL 102 Ca -0.02 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.33 1wki s VAL 102 Cb -0.15 -4.80 -0.24 0.00 0.00 0.00 0.00 36.38 31.20 1wki s VAL 102 CO 0.02 -1.61 0.54 0.23 0.00 0.00 0.00 175.10 174.28 1wki n MET 103 N 8.66 0.68 -4.30 2.72 0.00 0.13 -4.78 117.12 120.23 1wki n MET 103 Ca 0.02 0.28 -0.16 0.00 0.00 0.00 0.00 57.70 57.84 1wki n MET 103 Cb 0.48 -1.76 -0.10 0.00 0.00 0.00 0.00 33.22 31.84 1wki n MET 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1wki s PHE 104 N -2.58 1.49 -0.30 2.03 0.40 -1.16 -3.49 117.98 114.36 1wki s PHE 104 Ca -0.12 -0.73 -0.10 0.00 -0.60 0.00 0.00 56.93 55.39 1wki s PHE 104 Cb 0.07 -0.76 0.17 0.00 0.51 0.00 0.00 43.02 43.01 1wki s PHE 104 CO 0.80 0.15 0.82 -1.83 0.70 0.00 0.00 175.22 175.87 1wki s GLU 105 N -3.74 0.41 0.29 0.44 1.03 -1.12 0.76 118.70 116.77 1wki s GLU 105 Ca 0.21 0.87 0.07 0.00 0.03 0.00 0.00 54.97 56.15 1wki s GLU 105 Cb 0.02 0.51 -0.02 0.00 -0.80 0.00 0.00 34.13 33.84 1wki s GLU 105 CO 0.04 -0.29 0.34 0.14 -1.33 0.00 0.00 175.26 174.17 1wki s VAL 106 N 2.77 4.31 -0.16 1.83 -7.23 -1.06 -0.91 120.40 119.94 1wki s VAL 106 Ca 0.04 -1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 58.85 1wki s VAL 106 Cb -0.11 -3.46 0.05 0.00 0.56 0.00 0.00 36.38 33.42 1wki s VAL 106 CO -0.17 -0.25 0.48 0.00 -0.31 0.00 0.00 175.10 174.86 1wki s ALA 107 N -2.15 -1.20 0.00 1.32 0.00 -1.18 0.37 121.76 118.92 1wki s ALA 107 Ca 0.39 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1wki s ALA 107 Cb -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1wki s ALA 107 CO 0.28 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1wki n GLY 108 N 2.60 3.07 3.84 0.00 0.00 -1.26 -4.05 105.19 109.39 1wki n GLY 108 Ca -0.14 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.31 4.01 1.18 1.61 -7.23 -1.26 -5.06 120.40 112.34 1wki s VAL 109 Ca 0.00 0.65 -0.19 0.00 -1.81 0.00 0.00 61.98 60.63 1wki s VAL 109 Cb 0.00 -3.51 0.28 0.00 0.56 0.00 0.00 36.38 33.71 1wki s VAL 109 CO 0.00 -0.85 1.13 0.42 -0.31 0.00 0.00 175.10 175.48 1wki s THR 110 N -3.15 1.64 0.18 5.32 -4.23 -1.26 -4.73 115.64 109.40 1wki s THR 110 Ca 0.58 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1wki s THR 110 Cb -0.13 -2.53 -0.09 0.00 1.34 0.00 0.00 72.50 71.10 1wki s THR 110 CO 0.54 0.00 1.46 -0.08 -0.54 0.00 0.00 174.62 176.00 1wki h GLU 111 N -2.50 0.47 -0.30 3.99 4.81 -1.97 0.56 114.58 119.64 1wki h GLU 111 Ca -0.45 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 58.37 1wki h GLU 111 Cb 1.29 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1wki h GLU 111 CO 0.35 0.97 -0.05 1.49 -0.73 0.00 0.00 179.01 181.04 1wki h GLU 112 N 0.34 0.57 -0.04 1.92 4.81 -1.98 0.35 114.58 120.55 1wki h GLU 112 Ca -0.02 -0.21 -0.24 0.00 -0.13 0.00 0.00 59.36 58.76 1wki h GLU 112 Cb 1.23 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.58 1wki h GLU 112 CO 0.12 0.75 -0.94 1.96 -0.73 0.00 0.00 179.01 180.17 1wki h GLN 113 N 0.35 0.65 -0.07 1.92 4.20 -1.93 -2.07 115.11 118.15 1wki h GLN 113 Ca 0.08 -0.64 -0.03 0.00 0.06 0.00 0.00 58.65 58.12 1wki h GLN 113 Cb 0.52 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1wki h GLN 113 CO 0.03 1.24 -0.07 0.00 -0.67 0.00 0.00 178.83 179.36 1wki h ALA 114 N 0.55 0.11 0.13 3.87 0.00 -0.87 0.36 119.26 123.41 1wki h ALA 114 Ca -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wki h ALA 114 Cb 1.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1wki h ALA 114 CO 0.18 -0.08 -0.06 0.52 0.00 0.00 0.00 179.25 179.81 1wki h MET 115 N -0.25 -0.16 -0.13 0.00 2.86 -0.39 0.10 114.93 116.96 1wki h MET 115 Ca 0.01 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1wki h MET 115 Cb 0.58 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1wki h MET 115 CO 0.02 0.03 0.07 1.49 1.06 0.00 0.00 176.91 179.58 1wki h GLU 116 N -0.34 0.18 -0.23 1.72 4.81 -1.45 -0.88 114.58 118.39 1wki h GLU 116 Ca -0.02 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1wki h GLU 116 Cb 0.27 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1wki h GLU 116 CO 0.03 0.19 0.07 0.00 -0.73 0.00 0.00 179.01 178.57 1wki h ALA 117 N 0.98 0.25 -0.12 2.92 0.00 -0.88 0.63 119.26 123.04 1wki h ALA 117 Ca 0.05 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wki h ALA 117 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wki h ALA 117 CO -0.01 -0.35 0.08 -0.07 0.00 0.00 0.00 179.25 178.90 1wki h LEU 118 N 0.17 0.11 -0.15 0.00 4.07 -0.63 -1.78 115.31 117.10 1wki h LEU 118 Ca 0.10 -0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.88 1wki h LEU 118 Cb 0.08 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.80 1wki h LEU 118 CO -0.11 0.08 -0.60 0.03 -1.08 0.00 0.00 178.44 176.76 1wki h ARG 119 N 0.13 0.67 -0.84 1.13 3.08 0.11 -3.12 114.38 115.54 1wki h ARG 119 Ca 0.05 -0.52 0.11 0.00 0.07 0.00 0.00 59.98 59.68 1wki h ARG 119 Cb 0.03 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 1wki h ARG 119 CO -0.01 1.14 0.55 0.82 -1.07 0.00 0.00 179.97 181.40 1wki h ILE 120 N 0.35 0.93 -0.29 2.04 2.04 -0.05 0.27 117.51 122.80 1wki h ILE 120 Ca -0.03 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1wki h ILE 120 Cb 1.23 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1wki h ILE 120 CO 0.13 0.14 0.10 0.00 0.00 0.00 0.00 178.15 178.52 1wki h ALA 121 N 1.59 0.38 0.00 1.87 0.00 -1.44 -2.77 119.26 118.88 1wki h ALA 121 Ca 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1wki h ALA 121 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wki h ALA 121 CO -0.16 -0.01 -0.16 0.78 0.00 0.00 0.00 179.25 179.70 1wki h GLY 122 N 0.31 0.00 1.15 0.00 0.00 -1.24 -3.17 103.07 100.13 1wki h GLY 122 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.48 1wki h GLY 122 CO -0.01 0.00 0.43 0.84 0.00 0.00 0.00 176.54 177.81 1wki h HIS 123 N 0.00 0.69 -0.35 5.60 6.17 -0.22 0.04 115.15 127.09 1wki h HIS 123 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1wki h HIS 123 Cb 0.87 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.57 1wki h HIS 123 CO 0.00 0.38 0.00 0.36 0.71 0.00 0.00 177.93 179.38 1wki n LYS 124 N -4.47 2.25 -2.31 5.26 0.00 -1.20 -4.95 118.16 112.74 1wki n LYS 124 Ca 0.09 -1.89 -0.28 0.00 -0.00 0.00 0.00 58.31 56.23 1wki n LYS 124 Cb 0.20 -1.47 0.02 0.00 -0.00 0.00 0.00 35.03 33.78 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 -1.44 3.33 -0.01 -5.58 1.43 -0.00 -4.97 118.68 111.45 1wki s LEU 125 Ca 0.37 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.52 1wki s LEU 125 Cb 0.21 -3.91 0.18 0.00 0.03 0.00 0.00 46.19 42.70 1wki s LEU 125 CO 0.29 -0.88 1.13 -0.81 0.23 0.00 0.00 176.35 176.31 1wki n PRO 126 N -2.55 1.52 -3.95 1.29 -0.05 -1.26 -4.88 135.00 125.12 1wki n PRO 126 Ca 0.04 -0.75 -0.10 0.00 -0.05 0.00 0.00 63.50 62.65 1wki n PRO 126 Cb 0.56 -1.20 -0.06 0.00 -0.05 0.00 0.00 33.50 32.75 1wki n PRO 126 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 175.50 176.41 1wki s ILE 127 N -1.71 0.03 0.45 0.52 -5.25 -1.26 -4.92 121.20 109.06 1wki s ILE 127 Ca 0.14 -1.33 -0.22 0.00 -0.99 0.00 0.00 60.65 58.25 1wki s ILE 127 Cb 0.07 -1.96 -0.09 0.00 2.95 0.00 0.00 42.46 43.44 1wki s ILE 127 CO 0.09 -0.15 1.03 -0.54 -1.79 0.00 0.00 174.94 173.58 1wki s LYS 128 N -3.98 3.99 -0.06 0.37 1.02 -1.26 -4.88 119.74 114.94 1wki s LYS 128 Ca 0.19 1.39 -0.15 0.00 0.02 0.00 0.00 55.97 57.42 1wki s LYS 128 Cb 0.02 -2.27 0.03 0.00 -0.52 0.00 0.00 37.83 35.08 1wki s LYS 128 CO 0.03 -0.27 0.34 0.95 -0.92 0.00 0.00 175.35 175.48 1wki s THR 129 N -1.88 0.04 0.21 2.17 -4.23 -1.26 -0.56 115.64 110.12 1wki s THR 129 Ca 0.63 -0.29 0.04 0.00 -1.18 0.00 0.00 61.69 60.89 1wki s THR 129 Cb -0.18 -0.59 -0.05 0.00 1.34 0.00 0.00 72.50 73.03 1wki s THR 129 CO 0.22 -0.16 -0.05 -1.59 -0.54 0.00 0.00 174.62 172.50 1wki s LYS 130 N -0.79 1.27 0.09 3.99 0.00 -0.94 -4.95 119.74 118.41 1wki s LYS 130 Ca -0.09 -1.61 -0.12 0.00 0.00 0.00 0.00 55.97 54.15 1wki s LYS 130 Cb -0.04 -0.71 -0.06 0.00 0.00 0.00 0.00 37.83 37.02 1wki s LYS 130 CO 0.03 -0.01 0.46 0.42 0.00 0.00 0.00 175.35 176.26 1wki s ILE 131 N -3.32 4.99 -0.05 3.79 -1.09 -1.26 -1.84 121.20 122.42 1wki s ILE 131 Ca 0.24 0.67 -0.17 0.00 -2.23 0.00 0.00 60.65 59.15 1wki s ILE 131 Cb 0.04 -3.70 0.03 0.00 -1.58 0.00 0.00 42.46 37.26 1wki s ILE 131 CO 0.06 0.32 0.39 0.68 -1.23 0.00 0.00 174.94 175.16 1wki s VAL 132 N -1.37 0.04 -0.23 2.92 -7.23 -0.62 -4.98 120.40 108.93 1wki s VAL 132 Ca 0.33 -0.31 -0.05 0.00 -1.81 0.00 0.00 61.98 60.14 1wki s VAL 132 Cb -0.15 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 1wki s VAL 132 CO 0.18 -0.17 0.00 -0.60 -0.31 0.00 0.00 175.10 174.20 1wki s ARG 133 N -1.03 3.52 0.00 4.82 3.52 -1.25 0.81 118.95 129.35 1wki s ARG 133 Ca -0.11 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 54.94 1wki s ARG 133 Cb -0.04 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1wki s ARG 133 CO 0.05 -0.15 0.00 0.54 -0.81 0.00 0.00 175.30 174.93 1wki n ARG 134 N 4.72 0.00 -1.63 5.12 5.12 -1.07 0.13 116.66 129.06 1wki n ARG 134 Ca -0.17 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.40 1wki n ARG 134 Cb 0.51 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.87 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1wki n ASP 135 N 3.30 7.23 -4.07 0.55 -0.08 -1.26 -4.44 116.55 117.78 1wki n ASP 135 Ca 0.00 -3.80 -0.35 0.00 -1.51 0.00 0.00 54.79 49.14 1wki n ASP 135 Cb 0.00 -0.91 -0.11 0.00 2.34 0.00 0.00 41.12 42.43 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wki s ALA 136 N -3.86 3.35 -0.46 -1.67 0.00 0.36 -5.02 121.76 114.46 1wki s ALA 136 Ca 0.59 -2.99 0.02 0.00 0.00 0.00 0.00 51.96 49.58 1wki s ALA 136 Cb 0.47 -2.44 0.13 0.00 0.00 0.00 0.00 23.12 21.29 1wki s ALA 136 CO -0.13 -1.97 0.24 0.71 0.00 0.00 0.00 175.76 174.62 1wki s TYR 137 N 0.32 2.23 0.46 0.00 1.51 -1.26 -3.81 117.35 116.80 1wki s TYR 137 Ca 0.14 -2.58 -0.09 0.00 -1.01 0.00 0.00 57.07 53.53 1wki s TYR 137 Cb -0.22 -2.08 -0.05 0.00 -0.11 0.00 0.00 41.96 39.50 1wki s TYR 137 CO -0.03 -0.77 0.81 0.34 -1.11 0.00 0.00 175.55 174.78 1wki s ASP 138 N 0.22 6.39 -0.71 2.29 -1.08 -1.26 -5.00 116.67 117.51 1wki s ASP 138 Ca 0.18 1.09 -0.27 0.00 -0.52 0.00 0.00 52.55 53.02 1wki s ASP 138 Cb -0.25 -2.31 0.03 0.00 -1.46 0.00 0.00 42.92 38.93 1wki s ASP 138 CO 0.00 -0.52 1.25 -1.61 0.52 0.00 0.00 175.17 174.81 1wki s GLU 139 N -4.35 3.24 -0.70 4.34 2.02 -1.26 -4.96 118.70 117.03 1wki s GLU 139 Ca 0.50 -0.19 -0.27 0.00 0.02 0.00 0.00 54.97 55.03 1wki s GLU 139 Cb -0.10 -4.16 0.01 0.00 0.10 0.00 0.00 34.13 29.98 1wki s GLU 139 CO 0.39 -2.06 1.48 0.00 0.02 0.00 0.00 175.26 175.09 1wki s ALA 140 N 5.53 2.55 0.00 5.21 0.00 -1.26 -5.31 121.76 128.49 1wki s ALA 140 Ca 0.36 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1wki s ALA 140 Cb -0.08 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 18.76 1wki s ALA 140 CO 0.16 -3.50 0.00 1.04 0.00 0.00 0.00 175.76 173.46