#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki s LEU 2 N 0.00 -1.03 -0.29 4.03 2.34 -1.26 -5.13 118.68 117.34 1wki s LEU 2 Ca 0.00 0.25 -0.08 0.00 0.06 0.00 0.00 54.13 54.37 1wki s LEU 2 Cb 0.00 1.54 -0.00 0.00 -0.56 0.00 0.00 46.19 47.17 1wki s LEU 2 CO 0.00 -0.30 0.09 -0.04 -1.06 0.00 0.00 176.35 175.04 1wki s MET 3 N 2.67 3.29 0.34 1.48 -1.94 -1.26 -4.97 119.30 118.92 1wki s MET 3 Ca 0.14 -0.73 0.15 0.00 -1.71 0.00 0.00 55.69 53.54 1wki s MET 3 Cb -0.14 -3.40 0.60 0.00 2.01 0.00 0.00 34.83 33.91 1wki s MET 3 CO -0.22 -0.37 1.72 -1.00 -0.01 0.00 0.00 175.02 175.13 1wki h PRO 4 N 8.26 0.00 0.00 2.03 0.13 -2.09 -3.45 132.00 136.89 1wki h PRO 4 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1wki h PRO 4 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1wki h PRO 4 CO 0.60 0.45 0.00 -2.13 -0.23 0.00 0.00 178.00 176.69 1wki n ARG 5 N -3.72 -0.25 -2.38 0.86 0.63 -1.26 -4.86 116.66 105.68 1wki n ARG 5 Ca -0.01 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1wki n ARG 5 Cb 0.52 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.39 1wki n ARG 5 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1wki n ARG 6 N -0.89 -3.70 -2.63 -0.14 0.63 -1.26 -4.90 116.66 103.77 1wki n ARG 6 Ca 0.00 2.88 -0.43 0.00 -0.92 0.00 0.00 57.85 59.38 1wki n ARG 6 Cb 0.00 -4.29 -0.02 0.00 0.45 0.00 0.00 32.46 28.60 1wki n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wki s MET 7 N -0.76 4.01 -0.07 -0.14 0.23 -1.26 -4.85 119.30 116.47 1wki s MET 7 Ca -0.23 1.00 0.03 0.00 -1.03 0.00 0.00 55.69 55.45 1wki s MET 7 Cb 0.02 -3.76 -0.06 0.00 -1.53 0.00 0.00 34.83 29.49 1wki s MET 7 CO 0.64 -0.98 -0.03 0.36 -2.03 0.00 0.00 175.02 172.99 1wki n LYS 8 N 7.02 1.41 -2.39 3.16 2.85 -1.26 -5.05 118.16 123.90 1wki n LYS 8 Ca 0.12 0.02 -0.25 0.00 -1.05 0.00 0.00 58.31 57.15 1wki n LYS 8 Cb 0.47 -1.16 0.15 0.00 -0.65 0.00 0.00 35.03 33.84 1wki n LYS 8 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1wki n TYR 9 N -2.51 -3.26 -4.41 5.58 0.18 -1.26 -5.09 117.16 106.38 1wki n TYR 9 Ca -0.12 -1.61 -0.34 0.00 1.88 0.00 0.00 57.90 57.71 1wki n TYR 9 Cb 0.67 -0.84 -0.11 0.00 -0.38 0.00 0.00 39.34 38.68 1wki n TYR 9 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1wki s ARG 10 N -5.41 3.48 -0.21 -3.48 0.52 -1.26 -5.09 118.95 107.49 1wki s ARG 10 Ca 0.70 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.43 1wki s ARG 10 Cb -0.03 -2.87 0.04 0.00 0.52 0.00 0.00 34.95 32.61 1wki s ARG 10 CO 0.48 0.36 -0.12 -1.59 0.02 0.00 0.00 175.30 174.45 1wki s LYS 11 N 0.03 2.25 0.06 3.54 -2.85 -1.26 -5.11 119.74 116.40 1wki s LYS 11 Ca 0.01 -0.98 -0.21 0.00 -1.00 0.00 0.00 55.97 53.78 1wki s LYS 11 Cb -0.13 -2.58 -0.06 0.00 -2.06 0.00 0.00 37.83 33.00 1wki s LYS 11 CO 0.03 -0.43 0.62 -1.14 0.10 0.00 0.00 175.35 174.53 1wki s GLN 12 N 1.30 4.31 0.05 1.78 0.74 -1.26 -5.06 119.66 121.52 1wki s GLN 12 Ca -0.02 0.82 -0.21 0.00 0.05 0.00 0.00 55.36 55.99 1wki s GLN 12 Cb -0.17 -3.29 -0.06 0.00 1.10 0.00 0.00 33.01 30.60 1wki s GLN 12 CO -0.08 0.51 0.63 -0.65 -0.55 0.00 0.00 175.29 175.15 1wki s GLN 13 N -0.72 4.34 -0.29 1.67 1.11 -1.26 -5.04 119.66 119.47 1wki s GLN 13 Ca 0.31 0.83 -0.00 0.00 0.01 0.00 0.00 55.36 56.52 1wki s GLN 13 Cb -0.20 -3.31 0.19 0.00 -1.01 0.00 0.00 33.01 28.69 1wki s GLN 13 CO 0.20 0.46 0.73 0.50 0.01 0.00 0.00 175.29 177.18 1wki s ARG 14 N -0.55 0.44 0.00 2.91 3.52 -1.26 -5.07 118.95 118.94 1wki s ARG 14 Ca 0.32 0.51 0.00 0.00 -0.13 0.00 0.00 55.73 56.43 1wki s ARG 14 Cb -0.19 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 1wki s ARG 14 CO 0.20 -0.75 0.00 0.41 -0.81 0.00 0.00 175.30 174.34 1wki n GLY 15 N 5.35 -1.89 3.66 8.12 0.00 -1.26 -5.18 105.19 114.00 1wki n GLY 15 Ca 0.04 0.87 -0.24 0.00 0.00 0.00 0.00 46.02 46.69 1wki n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki s ARG 16 N 0.00 2.19 0.05 1.61 1.81 -1.26 -5.14 118.95 118.21 1wki s ARG 16 Ca 0.00 -1.64 -0.01 0.00 -1.72 0.00 0.00 55.73 52.36 1wki s ARG 16 Cb 0.00 -2.03 0.01 0.00 -0.45 0.00 0.00 34.95 32.48 1wki s ARG 16 CO 0.00 0.17 0.04 1.28 -0.68 0.00 0.00 175.30 176.11 1wki n LEU 17 N -0.99 0.00 0.02 2.53 7.99 -1.26 -4.97 117.00 120.32 1wki n LEU 17 Ca -0.04 -0.04 -0.03 0.00 -0.01 0.00 0.00 56.01 55.88 1wki n LEU 17 Cb 0.61 -0.04 -0.10 0.00 -0.11 0.00 0.00 43.42 43.79 1wki n LEU 17 CO 0.42 -1.23 -0.30 0.11 -1.51 0.00 0.00 177.39 174.88 1wki h LYS 18 N 0.00 0.00 -5.29 3.23 1.79 -2.02 -3.44 116.57 110.84 1wki h LYS 18 Ca -0.02 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1wki h LYS 18 Cb 0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1wki h LYS 18 CO 0.01 0.41 0.14 0.41 -1.08 0.00 0.00 179.45 179.35 1wki n GLY 19 N 1.44 -0.20 3.78 3.86 0.00 -1.26 -4.89 105.19 107.91 1wki n GLY 19 Ca -0.11 0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 14.07 3.62 -0.00 4.61 0.00 -1.26 -5.14 121.76 137.65 1wki s ALA 20 Ca 0.94 -1.72 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1wki s ALA 20 Cb -0.17 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1wki s ALA 20 CO 0.12 0.05 -0.11 0.95 0.00 0.00 0.00 175.76 176.78 1wki s THR 21 N -2.35 0.84 0.52 0.00 -4.23 -1.26 -4.98 115.64 104.17 1wki s THR 21 Ca 0.38 -0.50 -0.17 0.00 -1.18 0.00 0.00 61.69 60.22 1wki s THR 21 Cb -0.04 -0.71 -0.08 0.00 1.34 0.00 0.00 72.50 73.01 1wki s THR 21 CO 0.24 0.20 1.00 -1.59 -0.54 0.00 0.00 174.62 173.93 1wki s LYS 22 N -0.34 3.86 0.08 3.99 0.00 -1.26 -4.87 119.74 121.20 1wki s LYS 22 Ca 0.03 1.04 -0.03 0.00 0.00 0.00 0.00 55.97 57.02 1wki s LYS 22 Cb -0.04 -2.12 0.01 0.00 0.00 0.00 0.00 37.83 35.68 1wki s LYS 22 CO -0.00 -0.35 0.16 0.41 0.00 0.00 0.00 175.35 175.57 1wki n GLY 23 N -1.29 1.89 2.69 0.59 0.00 -1.26 -4.50 105.19 103.30 1wki n GLY 23 Ca 0.07 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.11 -0.57 2.02 -0.02 0.00 -1.23 -4.99 105.19 100.29 1wki n GLY 24 Ca -0.02 0.44 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 0.26 -0.51 -3.67 1.61 9.92 -1.22 -4.92 116.55 118.02 1wki n ASP 25 Ca -0.04 -2.34 -0.22 0.00 -0.53 0.00 0.00 54.79 51.66 1wki n ASP 25 Cb 0.73 1.14 -0.18 0.00 -0.64 0.00 0.00 41.12 42.18 1wki n ASP 25 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1wki s TYR 26 N -2.99 0.17 0.00 1.24 6.14 -1.26 -4.97 117.35 115.69 1wki s TYR 26 Ca 0.24 0.07 0.00 0.00 0.64 0.00 0.00 57.07 58.02 1wki s TYR 26 Cb 0.01 -0.57 0.00 0.00 0.42 0.00 0.00 41.96 41.82 1wki s TYR 26 CO 0.17 -0.28 0.33 0.28 0.64 0.00 0.00 175.55 176.69 1wki n VAL 27 N 5.27 0.00 -1.73 3.14 0.31 -1.26 -4.92 118.33 119.15 1wki n VAL 27 Ca -0.04 0.54 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 1wki n VAL 27 Cb 0.50 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 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 -1.65 -2.15 -2.65 3.52 0.00 -1.26 -4.93 120.51 111.39 1wki n ALA 28 Ca 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 53.44 53.82 1wki n ALA 28 Cb 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 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 0.82 -4.32 0.00 0.00 3.72 -1.26 -4.93 117.46 111.49 1wki n PHE 29 Ca 0.00 2.34 0.00 0.00 -0.05 0.00 0.00 57.45 59.74 1wki n PHE 29 Cb 0.00 -3.93 0.00 0.00 -0.94 0.00 0.00 39.48 34.61 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 1.42 2.21 0.13 1.37 0.00 -1.26 -4.61 105.19 104.46 1wki n GLY 30 Ca -0.30 -2.06 -0.20 0.00 0.00 0.00 0.00 46.02 43.46 1wki n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wki h ASP 31 N 0.00 0.45 -1.41 1.61 3.32 -0.95 -3.43 116.42 116.00 1wki h ASP 31 Ca 0.00 -0.83 -0.55 0.00 0.02 0.00 0.00 57.03 55.67 1wki h ASP 31 Cb 0.00 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 1wki h ASP 31 CO 0.00 1.73 -0.44 -0.31 -1.72 0.00 0.00 179.24 178.50 1wki s TYR 32 N -2.57 2.50 -0.24 4.55 2.02 -0.08 0.88 117.35 124.40 1wki s TYR 32 Ca -0.17 -0.60 -0.17 0.00 -0.37 0.00 0.00 57.07 55.76 1wki s TYR 32 Cb 0.06 -2.01 0.07 0.00 -0.40 0.00 0.00 41.96 39.68 1wki s TYR 32 CO 0.81 0.01 0.62 0.20 -1.57 0.00 0.00 175.55 175.62 1wki s GLY 33 N -4.02 -0.52 -0.32 0.71 0.00 0.32 -2.55 107.32 100.94 1wki s GLY 33 Ca 0.42 2.03 -0.20 0.00 0.00 0.00 0.00 44.72 46.97 1wki s GLY 33 CO 0.24 1.97 0.60 -2.27 0.00 0.00 0.00 173.10 173.63 1wki s LEU 34 N 1.14 4.20 -0.00 0.66 1.98 0.29 -1.58 118.68 125.36 1wki s LEU 34 Ca -0.06 0.28 -0.00 0.00 -2.89 0.00 0.00 54.13 51.45 1wki s LEU 34 Cb -0.05 -2.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.01 1wki s LEU 34 CO -0.11 -0.49 0.08 0.54 -1.89 0.00 0.00 176.35 174.48 1wki s VAL 35 N 2.57 4.75 -0.36 1.68 0.11 -0.91 0.22 120.40 128.46 1wki s VAL 35 Ca 0.23 -0.41 -0.16 0.00 -2.93 0.00 0.00 61.98 58.72 1wki s VAL 35 Cb -0.15 -3.17 -0.01 0.00 -1.53 0.00 0.00 36.38 31.52 1wki s VAL 35 CO 0.13 0.35 0.38 0.00 -3.33 0.00 0.00 175.10 172.62 1wki s ALA 36 N -1.20 3.48 -1.92 1.54 0.00 0.01 -2.19 121.76 121.48 1wki s ALA 36 Ca 0.23 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 51.01 1wki s ALA 36 Cb -0.12 -2.87 0.20 0.00 0.00 0.00 0.00 23.12 20.33 1wki s ALA 36 CO 0.14 -1.16 1.14 1.28 0.00 0.00 0.00 175.76 177.16 1wki n LEU 37 N 5.43 1.26 -3.68 0.00 4.77 0.12 0.13 117.00 125.03 1wki n LEU 37 Ca -0.09 -0.63 -0.15 0.00 -0.03 0.00 0.00 56.01 55.12 1wki n LEU 37 Cb 0.49 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1wki n LEU 37 CO 0.41 0.30 0.17 -1.61 -1.33 0.00 0.00 177.39 175.33 1wki s GLU 38 N -1.69 0.74 0.04 3.23 2.02 -1.25 -4.58 118.70 117.21 1wki s GLU 38 Ca 0.15 0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.98 1wki s GLU 38 Cb 0.08 0.34 -0.06 0.00 0.10 0.00 0.00 34.13 34.59 1wki s GLU 38 CO 0.10 -0.19 1.35 -1.25 0.02 0.00 0.00 175.26 175.29 1wki s PRO 39 N -0.88 4.32 0.30 0.39 0.04 -1.26 -4.35 135.00 133.56 1wki s PRO 39 Ca -0.09 1.94 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 1wki s PRO 39 Cb -0.03 -3.45 0.02 0.00 0.04 0.00 0.00 34.50 31.08 1wki s PRO 39 CO 0.05 -0.48 0.68 0.00 0.04 0.00 0.00 177.00 177.29 1wki s ALA 40 N 1.81 -0.87 -0.29 8.56 0.00 -1.13 -4.96 121.76 124.89 1wki s ALA 40 Ca 0.63 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 1wki s ALA 40 Cb -0.32 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.70 1wki s ALA 40 CO 0.28 -0.99 0.02 -1.58 0.00 0.00 0.00 175.76 173.49 1wki s TRP 41 N -3.59 3.17 -0.21 0.00 0.51 -1.26 -1.22 118.94 116.33 1wki s TRP 41 Ca 0.15 -1.43 -0.23 0.00 -2.12 0.00 0.00 56.10 52.47 1wki s TRP 41 Cb -0.05 -2.17 -0.02 0.00 -0.81 0.00 0.00 33.47 30.43 1wki s TRP 41 CO 0.09 -0.70 0.72 0.42 -0.51 0.00 0.00 176.95 176.97 1wki s ILE 42 N 1.37 4.94 0.98 2.03 -1.09 -0.96 -4.73 121.20 123.75 1wki s ILE 42 Ca -0.01 1.36 -0.16 0.00 -2.23 0.00 0.00 60.65 59.61 1wki s ILE 42 Cb -0.18 -4.02 0.20 0.00 -1.58 0.00 0.00 42.46 36.88 1wki s ILE 42 CO -0.00 0.03 1.29 0.42 -1.23 0.00 0.00 174.94 175.45 1wki s THR 43 N 2.29 1.95 0.11 2.92 -4.23 -1.26 0.16 115.64 117.58 1wki s THR 43 Ca 0.32 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.66 1wki s THR 43 Cb -0.16 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 1wki s THR 43 CO 0.10 0.00 1.57 0.00 -0.54 0.00 0.00 174.62 175.75 1wki h ALA 44 N -1.73 0.43 -0.83 3.99 0.00 -1.97 -3.05 119.26 116.11 1wki h ALA 44 Ca -0.45 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1wki h ALA 44 Cb 1.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1wki h ALA 44 CO 0.39 0.15 0.50 1.96 0.00 0.00 0.00 179.25 182.25 1wki h GLN 45 N 0.37 1.12 -0.50 0.00 1.08 -1.94 -2.24 115.11 113.00 1wki h GLN 45 Ca 0.10 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1wki h GLN 45 Cb 0.38 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1wki h GLN 45 CO 0.01 0.79 0.34 1.96 -0.95 0.00 0.00 178.83 180.97 1wki h GLN 46 N 1.13 0.54 0.04 1.46 4.20 -1.91 2.54 115.11 123.12 1wki h GLN 46 Ca 0.30 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1wki h GLN 46 Cb -0.05 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1wki h GLN 46 CO -0.06 0.36 -0.02 0.82 -0.67 0.00 0.00 178.83 179.27 1wki h ILE 47 N 0.56 1.33 0.09 2.54 2.04 -1.32 -2.82 117.51 119.94 1wki h ILE 47 Ca 0.20 -1.27 -0.18 0.00 1.00 0.00 0.00 64.86 64.61 1wki h ILE 47 Cb 0.12 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1wki h ILE 47 CO -0.05 0.32 -0.89 -0.08 0.00 0.00 0.00 178.15 177.44 1wki h GLU 48 N -0.61 0.18 -0.52 2.37 4.57 -1.14 -3.12 114.58 116.32 1wki h GLU 48 Ca -0.00 -0.31 0.09 0.00 -1.18 0.00 0.00 59.36 57.95 1wki h GLU 48 Cb 0.56 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.19 1wki h GLU 48 CO 0.01 1.15 0.13 0.00 -1.18 0.00 0.00 179.01 179.11 1wki h ALA 49 N -0.04 0.60 -0.60 2.92 0.00 0.42 -0.34 119.26 122.22 1wki h ALA 49 Ca -0.19 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1wki h ALA 49 Cb 1.51 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1wki h ALA 49 CO 0.05 -0.28 0.08 0.00 0.00 0.00 0.00 179.25 179.10 1wki h ALA 50 N 1.39 1.01 -0.79 0.00 0.00 -1.54 -2.78 119.26 116.55 1wki h ALA 50 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wki h ALA 50 Cb 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1wki h ALA 50 CO -0.32 0.63 0.47 0.00 0.00 0.00 0.00 179.25 180.02 1wki h ARG 51 N 0.93 1.08 -0.46 0.00 3.08 -1.17 -1.56 114.38 116.27 1wki h ARG 51 Ca 0.19 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1wki h ARG 51 Cb 0.42 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1wki h ARG 51 CO 0.01 0.77 0.29 0.28 -1.07 0.00 0.00 179.97 180.25 1wki h VAL 52 N 1.08 1.09 -0.61 2.04 2.07 -0.85 0.21 116.25 121.28 1wki h VAL 52 Ca 0.28 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 1wki h VAL 52 Cb -0.02 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1wki h VAL 52 CO -0.05 0.11 0.19 0.00 0.02 0.00 0.00 177.57 177.84 1wki h ALA 53 N 1.18 1.19 -0.05 1.67 0.00 -1.23 -1.99 119.26 120.03 1wki h ALA 53 Ca 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1wki h ALA 53 Cb -0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1wki h ALA 53 CO -0.06 0.57 -0.09 0.52 0.00 0.00 0.00 179.25 180.19 1wki h MET 54 N 0.89 0.15 -0.76 0.00 2.07 -0.76 -2.16 114.93 114.36 1wki h MET 54 Ca 0.20 -0.09 0.08 0.00 -2.07 0.00 0.00 59.70 57.82 1wki h MET 54 Cb 0.25 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 29.95 1wki h MET 54 CO -0.01 0.66 0.50 0.28 1.07 0.00 0.00 176.91 179.41 1wki h VAL 55 N -0.35 0.98 0.00 -2.22 2.07 -0.50 -0.75 116.25 115.49 1wki h VAL 55 Ca 0.00 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 1wki h VAL 55 Cb 0.65 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1wki h VAL 55 CO 0.02 0.13 -0.75 0.03 0.02 0.00 0.00 177.57 177.02 1wki h ARG 56 N 0.73 0.00 0.19 1.57 3.08 -1.35 -3.30 114.38 115.31 1wki h ARG 56 Ca 0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 1wki h ARG 56 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1wki h ARG 56 CO -0.12 0.75 -0.09 1.25 -1.07 0.00 0.00 179.97 180.69 1wki h HIS 57 N 0.00 -0.24 -2.09 3.04 2.76 -0.46 -3.42 115.15 114.73 1wki h HIS 57 Ca -0.01 -0.01 -0.58 0.00 -2.20 0.00 0.00 60.37 57.57 1wki h HIS 57 Cb 1.34 0.08 0.01 0.00 1.55 0.00 0.00 27.41 30.39 1wki h HIS 57 CO 0.00 -0.02 1.23 1.19 -1.30 0.00 0.00 177.93 179.02 1wki n PHE 58 N -5.13 2.31 -0.14 5.26 3.72 -0.98 -4.86 117.46 117.63 1wki n PHE 58 Ca -0.09 -0.16 -0.12 0.00 -0.05 0.00 0.00 57.45 57.03 1wki n PHE 58 Cb 0.18 -2.72 -0.00 0.00 -0.94 0.00 0.00 39.48 36.00 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 10.79 0.96 -1.03 -1.08 3.08 -1.88 -3.02 114.38 122.20 1wki h ARG 59 Ca -0.47 -0.45 -0.51 0.00 0.07 0.00 0.00 59.98 58.62 1wki h ARG 59 Cb 1.26 -0.01 -0.27 0.00 0.08 0.00 0.00 29.97 31.02 1wki h ARG 59 CO 0.95 1.12 0.66 0.54 -1.07 0.00 0.00 179.97 182.17 1wki n ARG 60 N -4.09 2.25 -1.47 0.04 5.12 -1.26 -5.03 116.66 112.22 1wki n ARG 60 Ca -0.01 -2.80 0.12 0.00 -1.93 0.00 0.00 57.85 53.23 1wki n ARG 60 Cb 0.50 -2.10 -0.07 0.00 -1.16 0.00 0.00 32.46 29.63 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 -0.90 -3.60 3.54 -0.13 0.00 -1.14 -5.02 105.19 97.94 1wki n GLY 61 Ca 0.55 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1wki n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wki s GLY 62 N -6.71 -0.41 -0.14 -0.02 0.00 -1.26 -4.71 107.32 94.07 1wki s GLY 62 Ca 0.00 1.57 -0.02 0.00 0.00 0.00 0.00 44.72 46.27 1wki s GLY 62 CO 0.00 0.85 -0.07 -1.59 0.00 0.00 0.00 173.10 172.29 1wki s LYS 63 N -1.60 3.47 -0.15 2.90 -2.85 -1.26 -4.83 119.74 115.42 1wki s LYS 63 Ca -0.03 -0.57 -0.02 0.00 -1.00 0.00 0.00 55.97 54.35 1wki s LYS 63 Cb -0.00 -2.79 -0.02 0.00 -2.06 0.00 0.00 37.83 32.96 1wki s LYS 63 CO 0.02 0.30 -0.10 0.42 0.10 0.00 0.00 175.35 176.09 1wki s ILE 64 N 0.19 3.27 -0.43 3.79 1.01 -1.26 -3.14 121.20 124.63 1wki s ILE 64 Ca -0.04 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 1wki s ILE 64 Cb -0.14 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 39.95 1wki s ILE 64 CO 0.03 0.50 0.40 -0.36 0.00 0.00 0.00 174.94 175.52 1wki s PHE 65 N 0.55 3.19 -0.13 3.97 0.40 0.25 -4.91 117.98 121.30 1wki s PHE 65 Ca -0.06 -0.49 -0.17 0.00 -0.60 0.00 0.00 56.93 55.61 1wki s PHE 65 Cb -0.15 -2.86 -0.04 0.00 0.51 0.00 0.00 43.02 40.48 1wki s PHE 65 CO 0.03 -0.69 0.41 0.42 0.70 0.00 0.00 175.22 176.09 1wki s ILE 66 N 1.99 5.22 -0.15 0.64 -1.09 -1.26 -2.45 121.20 124.10 1wki s ILE 66 Ca 0.09 0.81 0.14 0.00 -2.23 0.00 0.00 60.65 59.46 1wki s ILE 66 Cb -0.18 -3.75 -0.19 0.00 -1.58 0.00 0.00 42.46 36.75 1wki s ILE 66 CO 0.12 0.36 0.07 0.54 -1.23 0.00 0.00 174.94 174.80 1wki n ARG 67 N 3.54 1.43 -2.34 2.79 5.12 -1.12 -4.98 116.66 121.10 1wki n ARG 67 Ca -0.09 -0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.41 1wki n ARG 67 Cb 0.52 -1.40 -0.03 0.00 -1.16 0.00 0.00 32.46 30.38 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1wki s ILE 68 N -2.41 3.29 -0.05 0.55 -4.36 -1.26 -5.04 121.20 111.92 1wki s ILE 68 Ca -0.08 1.22 -0.03 0.00 -0.26 0.00 0.00 60.65 61.50 1wki s ILE 68 Cb 0.05 -3.78 0.03 0.00 1.25 0.00 0.00 42.46 40.01 1wki s ILE 68 CO 0.64 0.26 0.13 -0.36 0.24 0.00 0.00 174.94 175.84 1wki s PHE 69 N -0.75 -0.14 0.17 1.37 0.40 -1.26 -5.05 117.98 112.72 1wki s PHE 69 Ca 0.49 0.39 -0.32 0.00 -0.60 0.00 0.00 56.93 56.90 1wki s PHE 69 Cb -0.34 -0.02 -0.11 0.00 0.51 0.00 0.00 43.02 43.05 1wki s PHE 69 CO 0.42 -0.11 1.66 -2.14 0.70 0.00 0.00 175.22 175.75 1wki s PRO 70 N 0.62 4.17 0.00 0.24 0.02 -1.26 -4.43 135.00 134.36 1wki s PRO 70 Ca -0.05 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1wki s PRO 70 Cb -0.06 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1wki s PRO 70 CO -0.03 -0.69 0.00 -3.47 -0.33 0.00 0.00 177.00 172.48 1wki n ASP 71 N 4.20 0.00 -4.61 2.53 -0.08 0.19 -4.81 116.55 113.97 1wki n ASP 71 Ca 0.15 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.00 1wki n ASP 71 Cb 0.37 0.07 -0.02 0.00 2.34 0.00 0.00 41.12 43.88 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1wki s LYS 72 N -1.67 3.71 -0.02 -0.67 3.01 -1.08 -4.82 119.74 118.20 1wki s LYS 72 Ca 0.00 0.90 -0.30 0.00 -1.01 0.00 0.00 55.97 55.56 1wki s LYS 72 Cb 0.00 -3.95 -0.05 0.00 -1.01 0.00 0.00 37.83 32.83 1wki s LYS 72 CO 0.00 -1.39 1.37 -1.25 0.51 0.00 0.00 175.35 174.59 1wki s PRO 73 N 4.58 4.29 -0.03 -1.68 0.04 -1.26 -1.95 135.00 138.99 1wki s PRO 73 Ca 0.56 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.47 1wki s PRO 73 Cb -0.12 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 1wki s PRO 73 CO 0.30 -0.58 0.12 1.52 0.04 0.00 0.00 177.00 178.40 1wki s TYR 74 N 2.53 3.42 -0.06 0.56 -0.85 -1.05 -4.99 117.35 116.91 1wki s TYR 74 Ca 0.62 0.31 0.06 0.00 -0.52 0.00 0.00 57.07 57.53 1wki s TYR 74 Cb -0.30 -1.80 -0.01 0.00 0.38 0.00 0.00 41.96 40.23 1wki s TYR 74 CO 0.25 0.61 -0.23 0.95 -1.52 0.00 0.00 175.55 175.61 1wki s THR 75 N -1.19 2.26 -0.14 -3.49 -4.23 -1.26 -2.46 115.64 105.13 1wki s THR 75 Ca 0.22 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1wki s THR 75 Cb -0.12 -1.83 0.06 0.00 1.34 0.00 0.00 72.50 71.95 1wki s THR 75 CO 0.13 0.57 0.14 -0.54 -0.54 0.00 0.00 174.62 174.38 1wki s LYS 76 N -0.24 0.07 -0.54 3.99 1.02 -1.26 -5.00 119.74 117.78 1wki s LYS 76 Ca -0.01 0.21 -0.03 0.00 0.02 0.00 0.00 55.97 56.16 1wki s LYS 76 Cb -0.13 -1.13 0.14 0.00 -0.52 0.00 0.00 37.83 36.19 1wki s LYS 76 CO 0.03 -0.54 0.35 0.15 -0.92 0.00 0.00 175.35 174.41 1wki s LYS 77 N 2.23 2.34 0.24 1.68 3.01 -1.26 -4.94 119.74 123.04 1wki s LYS 77 Ca 0.04 -2.24 -0.06 0.00 -1.01 0.00 0.00 55.97 52.70 1wki s LYS 77 Cb -0.15 -3.67 0.35 0.00 -1.01 0.00 0.00 37.83 33.35 1wki s LYS 77 CO -0.08 -1.14 1.81 -1.35 0.51 0.00 0.00 175.35 175.10 1wki h PRO 78 N 7.45 0.75 -6.22 -1.68 0.11 -2.04 -3.43 132.00 126.94 1wki h PRO 78 Ca -0.06 -0.05 -0.47 0.00 0.11 0.00 0.00 66.00 65.53 1wki h PRO 78 Cb 0.99 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1wki h PRO 78 CO 0.71 0.50 -0.44 -0.48 -0.21 0.00 0.00 178.00 178.08 1wki s LEU 79 N -10.27 4.06 0.64 2.35 0.05 -1.26 -5.10 118.68 109.15 1wki s LEU 79 Ca -0.12 -0.12 -0.16 0.00 0.05 0.00 0.00 54.13 53.78 1wki s LEU 79 Cb 0.18 -2.65 -0.01 0.00 -2.05 0.00 0.00 46.19 41.67 1wki s LEU 79 CO 0.78 -0.16 1.12 -1.61 -0.55 0.00 0.00 176.35 175.92 1wki s GLU 80 N -3.99 2.86 0.27 1.48 2.02 -1.26 -5.04 118.70 115.05 1wki s GLU 80 Ca 0.37 1.45 -0.04 0.00 0.02 0.00 0.00 54.97 56.77 1wki s GLU 80 Cb -0.08 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 1wki s GLU 80 CO 0.28 -1.21 0.51 0.08 0.02 0.00 0.00 175.26 174.94 1wki s VAL 81 N -2.22 5.07 0.00 2.63 1.01 -1.26 -5.01 120.40 120.63 1wki s VAL 81 Ca 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1wki s VAL 81 Cb -0.22 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1wki s VAL 81 CO 0.39 -0.30 0.00 0.54 0.00 0.00 0.00 175.10 175.73 1wki n ARG 82 N -0.91 0.00 -3.84 2.72 1.74 -1.26 -5.03 116.66 110.08 1wki n ARG 82 Ca -0.03 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 1wki n ARG 82 Cb 0.54 -0.38 -0.15 0.00 -1.02 0.00 0.00 32.46 31.45 1wki n ARG 82 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1wki s MET 83 N -1.80 1.09 0.00 5.56 -1.94 -1.26 -5.02 119.30 115.93 1wki s MET 83 Ca 0.00 -1.16 0.00 0.00 -1.71 0.00 0.00 55.69 52.82 1wki s MET 83 Cb 0.00 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.44 1wki s MET 83 CO 0.00 -0.85 0.00 0.41 -0.01 0.00 0.00 175.02 174.57 1wki n GLY 84 N 4.70 -0.80 0.01 -0.03 0.00 -1.26 -5.04 105.19 102.76 1wki n GLY 84 Ca -0.04 0.82 0.10 0.00 0.00 0.00 0.00 46.02 46.90 1wki n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wki n LYS 85 N 0.00 0.61 -2.77 1.61 3.00 -1.26 -4.72 118.16 114.62 1wki n LYS 85 Ca 0.00 -0.15 -0.10 0.00 -0.00 0.00 0.00 58.31 58.07 1wki n LYS 85 Cb 0.00 -1.46 0.08 0.00 0.00 0.00 0.00 35.03 33.65 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 86 N 1.39 1.18 2.33 3.14 0.00 -1.26 -5.00 105.19 106.97 1wki n GLY 86 Ca -0.02 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 1wki n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wki n LYS 87 N 0.09 0.95 -1.79 1.61 5.02 -1.26 -5.09 118.16 117.69 1wki n LYS 87 Ca 0.06 -2.98 -0.43 0.00 -2.02 0.00 0.00 58.31 52.94 1wki n LYS 87 Cb 0.74 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.22 1wki n LYS 87 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1wki s GLY 88 N -2.02 0.59 -0.71 0.72 0.00 -1.26 -4.93 107.32 99.72 1wki s GLY 88 Ca 0.35 0.49 -0.18 0.00 0.00 0.00 0.00 44.72 45.39 1wki s GLY 88 CO -0.08 3.57 0.80 0.21 0.00 0.00 0.00 173.10 177.60 1wki s ASN 89 N 7.47 6.41 0.29 1.64 2.47 -1.26 -5.03 114.94 126.92 1wki s ASN 89 Ca 0.91 -1.86 -0.29 0.00 0.42 0.00 0.00 52.86 52.03 1wki s ASN 89 Cb -0.27 -2.30 -0.10 0.00 -1.45 0.00 0.00 41.25 37.13 1wki s ASN 89 CO 0.34 -0.97 1.41 0.54 -3.72 0.00 0.00 177.10 174.70 1wki s VAL 90 N 2.06 2.59 -0.39 -5.21 0.11 -1.26 -4.74 120.40 113.56 1wki s VAL 90 Ca 0.17 0.53 0.05 0.00 -2.93 0.00 0.00 61.98 59.79 1wki s VAL 90 Cb -0.17 -3.34 0.61 0.00 -1.53 0.00 0.00 36.38 31.95 1wki s VAL 90 CO -0.01 0.10 1.79 -0.62 -3.33 0.00 0.00 175.10 173.03 1wki n GLU 91 N 1.67 2.39 0.00 1.54 -0.58 -1.03 -5.00 120.64 119.63 1wki n GLU 91 Ca 0.04 -2.68 0.00 0.00 -0.42 0.00 0.00 57.16 54.11 1wki n GLU 91 Cb 0.40 -2.06 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 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 -0.78 2.33 3.65 0.62 0.00 -1.26 -4.99 105.19 104.76 1wki n GLY 92 Ca 0.50 -2.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.82 2.74 0.29 1.61 1.51 -1.26 -2.54 117.35 117.89 1wki s TYR 93 Ca 0.00 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.89 1wki s TYR 93 Cb 0.00 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 1wki s TYR 93 CO 0.00 0.58 0.16 0.14 -1.11 0.00 0.00 175.55 175.32 1wki s VAL 94 N -2.12 0.31 -0.30 0.71 -7.23 -0.82 -3.60 120.40 107.36 1wki s VAL 94 Ca 0.30 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1wki s VAL 94 Cb -0.07 -2.52 0.09 0.00 0.56 0.00 0.00 36.38 34.43 1wki s VAL 94 CO 0.19 0.00 0.04 0.00 -0.31 0.00 0.00 175.10 175.03 1wki s ALA 95 N -3.66 2.18 0.18 1.32 0.00 0.12 -0.64 121.76 121.28 1wki s ALA 95 Ca 0.36 -1.95 -0.32 0.00 0.00 0.00 0.00 51.96 50.06 1wki s ALA 95 Cb 0.05 -1.72 -0.11 0.00 0.00 0.00 0.00 23.12 21.34 1wki s ALA 95 CO 0.17 -1.56 1.73 0.08 0.00 0.00 0.00 175.76 176.18 1wki s VAL 96 N 1.28 2.25 0.22 0.00 1.01 -1.26 -2.26 120.40 121.63 1wki s VAL 96 Ca 0.07 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1wki s VAL 96 Cb -0.18 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1wki s VAL 96 CO -0.14 0.00 -0.13 -0.69 0.00 0.00 0.00 175.10 174.15 1wki s VAL 97 N 1.60 1.70 0.16 2.92 1.01 -0.36 -4.99 120.40 122.44 1wki s VAL 97 Ca 0.76 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 60.59 1wki s VAL 97 Cb -0.48 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1wki s VAL 97 CO 0.33 -0.54 -0.11 -0.54 0.00 0.00 0.00 175.10 174.24 1wki s LYS 98 N -3.67 1.11 -0.22 2.72 1.02 -1.26 -2.84 119.74 116.60 1wki s LYS 98 Ca 0.24 -1.48 -0.34 0.00 0.02 0.00 0.00 55.97 54.41 1wki s LYS 98 Cb 0.00 -0.71 -0.11 0.00 -0.52 0.00 0.00 37.83 36.49 1wki s LYS 98 CO 0.08 0.09 2.02 -2.30 -0.92 0.00 0.00 175.35 174.32 1wki n PRO 99 N -0.23 1.67 -0.09 -1.68 -0.02 -1.22 -2.17 135.00 131.25 1wki n PRO 99 Ca -0.10 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1wki n PRO 99 Cb 0.61 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 5.31 1.55 3.25 -1.23 0.00 0.35 -4.57 105.19 109.85 1wki n GLY 100 Ca 0.30 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.75 3.23 -0.57 1.61 3.00 -0.92 -3.39 118.95 121.15 1wki s ARG 101 Ca 0.00 -0.72 -0.28 0.00 -1.00 0.00 0.00 55.73 53.73 1wki s ARG 101 Cb 0.00 -2.75 0.02 0.00 0.00 0.00 0.00 34.95 32.22 1wki s ARG 101 CO 0.00 -0.10 1.35 0.08 0.00 0.00 0.00 175.30 176.63 1wki s VAL 102 N 1.13 3.85 -0.11 7.11 1.01 -1.26 -0.81 120.40 131.31 1wki s VAL 102 Ca 0.01 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1wki s VAL 102 Cb -0.14 -4.52 -0.25 0.00 0.00 0.00 0.00 36.38 31.47 1wki s VAL 102 CO -0.04 -1.22 0.39 0.23 0.00 0.00 0.00 175.10 174.46 1wki n MET 103 N 8.60 0.71 -4.37 2.72 0.00 0.13 -4.72 117.12 120.20 1wki n MET 103 Ca 0.11 0.25 -0.21 0.00 0.00 0.00 0.00 57.70 57.85 1wki n MET 103 Cb 0.49 -1.71 -0.10 0.00 0.00 0.00 0.00 33.22 31.90 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 -2.56 1.89 -0.22 2.03 0.40 -1.14 -2.80 117.98 115.59 1wki s PHE 104 Ca -0.18 -0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 55.55 1wki s PHE 104 Cb 0.07 -0.88 0.07 0.00 0.51 0.00 0.00 43.02 42.79 1wki s PHE 104 CO 0.77 0.44 0.52 -1.21 0.70 0.00 0.00 175.22 176.44 1wki s GLU 105 N -3.33 0.51 0.22 0.44 8.01 -1.02 0.10 118.70 123.63 1wki s GLU 105 Ca 0.22 0.98 0.11 0.00 0.01 0.00 0.00 54.97 56.30 1wki s GLU 105 Cb -0.03 0.08 -0.05 0.00 -4.31 0.00 0.00 34.13 29.82 1wki s GLU 105 CO 0.09 -0.16 -0.22 0.14 0.01 0.00 0.00 175.26 175.12 1wki s VAL 106 N 1.59 2.32 -0.13 2.63 -7.23 -1.06 0.85 120.40 119.38 1wki s VAL 106 Ca -0.09 -2.15 -0.15 0.00 -1.81 0.00 0.00 61.98 57.78 1wki s VAL 106 Cb -0.07 -2.15 0.04 0.00 0.56 0.00 0.00 36.38 34.75 1wki s VAL 106 CO -0.16 -0.24 0.41 0.00 -0.31 0.00 0.00 175.10 174.81 1wki s ALA 107 N -2.02 -1.03 0.00 1.32 0.00 -1.19 -0.20 121.76 118.65 1wki s ALA 107 Ca 0.23 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1wki s ALA 107 Cb -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1wki s ALA 107 CO 0.11 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1wki n GLY 108 N 2.55 3.17 3.88 0.00 0.00 -1.26 -4.10 105.19 109.43 1wki n GLY 108 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.46 4.82 0.91 1.61 -7.23 -1.26 -5.05 120.40 111.74 1wki s VAL 109 Ca 0.00 0.52 -0.11 0.00 -1.81 0.00 0.00 61.98 60.57 1wki s VAL 109 Cb 0.00 -3.75 0.14 0.00 0.56 0.00 0.00 36.38 33.33 1wki s VAL 109 CO 0.00 -0.56 1.09 0.42 -0.31 0.00 0.00 175.10 175.75 1wki s THR 110 N -2.41 2.59 0.27 5.32 -4.23 -1.26 -4.64 115.64 111.28 1wki s THR 110 Ca 0.50 0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 61.16 1wki s THR 110 Cb -0.10 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.45 1wki s THR 110 CO 0.33 -0.25 1.95 -0.08 -0.54 0.00 0.00 174.62 176.03 1wki h GLU 111 N -1.67 1.20 -0.31 3.99 4.81 -1.97 0.82 114.58 121.46 1wki h GLU 111 Ca -0.49 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.61 1wki h GLU 111 Cb 1.28 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1wki h GLU 111 CO 0.51 0.80 -0.02 1.49 -0.73 0.00 0.00 179.01 181.06 1wki h GLU 112 N 1.24 0.56 -0.04 1.92 4.81 -1.98 0.33 114.58 121.42 1wki h GLU 112 Ca 0.33 -0.19 -0.22 0.00 -0.13 0.00 0.00 59.36 59.15 1wki h GLU 112 Cb -0.14 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.20 1wki h GLU 112 CO -0.07 0.71 -0.89 1.96 -0.73 0.00 0.00 179.01 179.99 1wki h GLN 113 N 0.34 0.52 -0.05 1.92 1.08 -1.83 -2.23 115.11 114.86 1wki h GLN 113 Ca 0.09 -0.50 -0.03 0.00 -1.45 0.00 0.00 58.65 56.75 1wki h GLN 113 Cb 0.47 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1wki h GLN 113 CO 0.02 1.14 -0.10 0.00 -0.95 0.00 0.00 178.83 178.94 1wki h ALA 114 N 0.70 0.08 -0.23 3.87 0.00 0.69 -0.53 119.26 123.83 1wki h ALA 114 Ca -0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1wki h ALA 114 Cb 1.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1wki h ALA 114 CO 0.16 -0.06 0.11 0.52 0.00 0.00 0.00 179.25 179.98 1wki h MET 115 N -0.36 0.34 -0.12 0.00 2.86 -0.43 0.11 114.93 117.34 1wki h MET 115 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1wki h MET 115 Cb 0.68 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 1wki h MET 115 CO 0.02 0.36 0.04 1.49 1.06 0.00 0.00 176.91 179.88 1wki h GLU 116 N 0.24 0.18 -0.24 1.72 4.81 -1.47 -1.08 114.58 118.74 1wki h GLU 116 Ca 0.08 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1wki h GLU 116 Cb 0.13 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1wki h GLU 116 CO -0.01 0.30 0.04 0.00 -0.73 0.00 0.00 179.01 178.61 1wki h ALA 117 N 0.86 0.24 -0.23 2.92 0.00 -1.00 0.42 119.26 122.48 1wki h ALA 117 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wki h ALA 117 Cb 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wki h ALA 117 CO -0.00 -0.39 0.11 -0.07 0.00 0.00 0.00 179.25 178.90 1wki h LEU 118 N 0.12 0.28 -0.08 0.00 4.07 -0.89 -2.15 115.31 116.67 1wki h LEU 118 Ca 0.11 -0.02 -0.22 0.00 0.08 0.00 0.00 57.88 57.84 1wki h LEU 118 Cb 0.12 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 41.80 1wki h LEU 118 CO -0.15 0.24 -0.80 0.03 -1.08 0.00 0.00 178.44 176.68 1wki h ARG 119 N 0.32 0.68 -0.75 1.13 3.08 0.08 -3.16 114.38 115.75 1wki h ARG 119 Ca 0.08 -0.63 0.16 0.00 0.07 0.00 0.00 59.98 59.67 1wki h ARG 119 Cb 0.04 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1wki h ARG 119 CO -0.01 1.23 0.51 0.82 -1.07 0.00 0.00 179.97 181.45 1wki h ILE 120 N 0.35 0.76 -0.08 2.04 2.04 0.45 -0.04 117.51 123.03 1wki h ILE 120 Ca -0.08 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1wki h ILE 120 Cb 1.45 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1wki h ILE 120 CO 0.16 0.06 -0.04 0.00 0.00 0.00 0.00 178.15 178.33 1wki h ALA 121 N 1.65 0.11 0.00 1.87 0.00 -1.47 -2.97 119.26 118.45 1wki h ALA 121 Ca 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wki h ALA 121 Cb 0.97 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1wki h ALA 121 CO -0.10 -0.13 -0.07 0.78 0.00 0.00 0.00 179.25 179.73 1wki h GLY 122 N -0.20 0.00 0.88 0.00 0.00 -1.18 -2.85 103.07 99.72 1wki h GLY 122 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1wki h GLY 122 CO 0.01 0.00 0.31 0.45 0.00 0.00 0.00 176.54 177.31 1wki h HIS 123 N 0.00 0.58 -0.01 5.60 -0.00 -0.89 -0.95 115.15 119.48 1wki h HIS 123 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1wki h HIS 123 Cb 0.36 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1wki h HIS 123 CO 0.00 0.34 -0.01 0.36 -0.00 0.00 0.00 177.93 178.61 1wki n LYS 124 N -4.79 1.26 -2.74 2.45 2.85 -1.09 -4.87 118.16 111.23 1wki n LYS 124 Ca 0.04 -0.44 -0.31 0.00 -1.05 0.00 0.00 58.31 56.55 1wki n LYS 124 Cb 0.07 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 32.93 1wki n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wki s LEU 125 N -2.04 3.78 -0.10 -5.58 1.43 -0.36 -4.97 118.68 110.84 1wki s LEU 125 Ca 0.42 1.26 0.04 0.00 -1.03 0.00 0.00 54.13 54.82 1wki s LEU 125 Cb 0.21 -4.16 0.29 0.00 0.03 0.00 0.00 46.19 42.57 1wki s LEU 125 CO 0.36 -0.44 1.02 -0.81 0.23 0.00 0.00 176.35 176.71 1wki n PRO 126 N -1.33 2.25 -3.88 1.29 -0.04 -1.26 -4.87 135.00 127.15 1wki n PRO 126 Ca 0.04 -1.13 -0.09 0.00 -0.04 0.00 0.00 63.50 62.27 1wki n PRO 126 Cb 0.54 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.56 0.02 0.30 0.52 -5.25 -1.26 -4.94 121.20 109.03 1wki s ILE 127 Ca 0.20 -1.14 -0.27 0.00 -0.99 0.00 0.00 60.65 58.45 1wki s ILE 127 Cb 0.15 -1.87 -0.10 0.00 2.95 0.00 0.00 42.46 43.59 1wki s ILE 127 CO 0.05 -0.11 0.96 -0.75 -1.79 0.00 0.00 174.94 173.31 1wki s LYS 128 N -3.95 4.64 -0.02 0.37 2.36 -1.26 -4.88 119.74 116.99 1wki s LYS 128 Ca 0.15 1.41 -0.09 0.00 -2.55 0.00 0.00 55.97 54.90 1wki s LYS 128 Cb -0.00 -2.94 0.01 0.00 -1.05 0.00 0.00 37.83 33.85 1wki s LYS 128 CO 0.02 0.31 0.19 0.95 1.55 0.00 0.00 175.35 178.38 1wki s THR 129 N -1.47 0.05 0.13 3.43 -4.23 -1.26 0.11 115.64 112.40 1wki s THR 129 Ca 0.48 -0.45 0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1wki s THR 129 Cb -0.22 -0.43 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 1wki s THR 129 CO 0.27 -0.25 -0.11 -1.59 -0.54 0.00 0.00 174.62 172.41 1wki s LYS 130 N -0.95 1.00 0.24 3.99 0.00 -0.93 -4.95 119.74 118.13 1wki s LYS 130 Ca -0.10 -1.35 -0.20 0.00 0.00 0.00 0.00 55.97 54.32 1wki s LYS 130 Cb -0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 37.83 37.06 1wki s LYS 130 CO 0.02 0.09 0.75 0.42 0.00 0.00 0.00 175.35 176.63 1wki s ILE 131 N -2.95 4.53 -0.06 3.79 -1.09 -1.26 -2.14 121.20 122.02 1wki s ILE 131 Ca 0.13 1.34 -0.14 0.00 -2.23 0.00 0.00 60.65 59.75 1wki s ILE 131 Cb 0.00 -3.87 0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1wki s ILE 131 CO 0.01 0.19 0.33 0.68 -1.23 0.00 0.00 174.94 174.91 1wki s VAL 132 N -1.55 0.04 0.59 2.92 -7.23 -0.61 -4.97 120.40 109.59 1wki s VAL 132 Ca 0.44 -0.30 -0.05 0.00 -1.81 0.00 0.00 61.98 60.26 1wki s VAL 132 Cb -0.17 -0.57 0.02 0.00 0.56 0.00 0.00 36.38 36.22 1wki s VAL 132 CO 0.21 -0.16 0.89 -0.60 -0.31 0.00 0.00 175.10 175.13 1wki s ARG 133 N -0.77 2.80 -0.81 4.82 3.52 -1.24 0.12 118.95 127.39 1wki s ARG 133 Ca -0.09 -0.13 -0.11 0.00 -0.13 0.00 0.00 55.73 55.27 1wki s ARG 133 Cb -0.04 -2.29 -0.25 0.00 -1.56 0.00 0.00 34.95 30.81 1wki s ARG 133 CO 0.03 -0.75 2.01 0.54 -0.81 0.00 0.00 175.30 176.32 1wki n ARG 134 N -2.58 0.09 -3.08 5.12 1.74 0.25 0.11 116.66 118.31 1wki n ARG 134 Ca 0.05 -0.21 -0.13 0.00 -0.77 0.00 0.00 57.85 56.80 1wki n ARG 134 Cb 0.58 -1.55 0.04 0.00 -1.02 0.00 0.00 32.46 30.51 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wki n ASP 135 N 8.05 -4.31 -4.07 0.55 2.03 -1.26 -4.98 116.55 112.55 1wki n ASP 135 Ca 0.53 -0.29 -0.35 0.00 0.52 0.00 0.00 54.79 55.20 1wki n ASP 135 Cb 0.26 -2.94 -0.12 0.00 -0.72 0.00 0.00 41.12 37.60 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wki s ALA 136 N -3.17 3.31 -0.20 -1.67 0.00 0.29 -5.06 121.76 115.25 1wki s ALA 136 Ca 0.31 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.36 1wki s ALA 136 Cb -0.14 -2.41 0.05 0.00 0.00 0.00 0.00 23.12 20.62 1wki s ALA 136 CO 0.39 -1.93 -0.07 0.71 0.00 0.00 0.00 175.76 174.86 1wki s TYR 137 N 0.45 2.20 -0.09 0.00 1.51 -1.26 -3.59 117.35 116.57 1wki s TYR 137 Ca 0.13 -1.51 -0.30 0.00 -1.01 0.00 0.00 57.07 54.38 1wki s TYR 137 Cb -0.22 -1.52 -0.08 0.00 -0.11 0.00 0.00 41.96 40.03 1wki s TYR 137 CO -0.04 -0.72 2.07 -3.47 -1.11 0.00 0.00 175.55 172.28 1wki n ASP 138 N 4.73 3.66 -4.72 2.29 -0.08 -1.26 -4.93 116.55 116.25 1wki n ASP 138 Ca -0.13 0.64 -0.42 0.00 -1.51 0.00 0.00 54.79 53.37 1wki n ASP 138 Cb 0.46 -1.51 -0.03 0.00 2.34 0.00 0.00 41.12 42.38 1wki n ASP 138 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1wki s GLU 139 N 5.19 4.51 -0.65 -0.67 0.41 -1.26 -4.52 118.70 121.71 1wki s GLU 139 Ca 0.95 1.69 -0.16 0.00 -0.41 0.00 0.00 54.97 57.03 1wki s GLU 139 Cb -0.45 -3.34 0.14 0.00 -1.78 0.00 0.00 34.13 28.70 1wki s GLU 139 CO 0.41 -0.11 0.65 0.00 -0.49 0.00 0.00 175.26 175.73 1wki s ALA 140 N 0.61 3.68 0.00 5.21 0.00 -1.26 -5.02 121.76 124.98 1wki s ALA 140 Ca 0.54 -2.66 0.00 0.00 0.00 0.00 0.00 51.96 49.84 1wki s ALA 140 Cb -0.28 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1wki s ALA 140 CO 0.31 -2.22 0.00 0.94 0.00 0.00 0.00 175.76 174.78