#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 -0.11 -0.87 -0.89 1.43 -1.26 -5.09 118.68 111.89 1wki s LEU 2 Ca 0.00 0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.28 1wki s LEU 2 Cb 0.00 0.35 0.22 0.00 0.03 0.00 0.00 46.19 46.79 1wki s LEU 2 CO 0.00 -0.27 0.76 -0.04 0.23 0.00 0.00 176.35 177.03 1wki s MET 3 N 2.32 3.26 0.19 1.70 -1.94 -1.26 -5.07 119.30 118.50 1wki s MET 3 Ca 0.04 -3.17 -0.30 0.00 -1.71 0.00 0.00 55.69 50.55 1wki s MET 3 Cb -0.13 -3.98 -0.08 0.00 2.01 0.00 0.00 34.83 32.65 1wki s MET 3 CO -0.08 -1.25 1.05 -1.25 -0.01 0.00 0.00 175.02 173.48 1wki s PRO 4 N -1.15 4.66 -0.37 2.03 0.04 -1.26 -4.97 135.00 133.98 1wki s PRO 4 Ca 0.26 1.64 0.06 0.00 0.04 0.00 0.00 61.00 63.00 1wki s PRO 4 Cb -0.09 -3.28 0.44 0.00 0.04 0.00 0.00 34.50 31.61 1wki s PRO 4 CO -0.11 0.19 1.19 2.89 0.04 0.00 0.00 177.00 181.20 1wki n ARG 5 N 2.13 3.51 -1.22 4.56 -4.01 -1.26 -5.07 116.66 115.30 1wki n ARG 5 Ca 0.01 -4.28 -0.34 0.00 -1.04 0.00 0.00 57.85 52.20 1wki n ARG 5 Cb 0.47 -2.27 0.12 0.00 -3.04 0.00 0.00 32.46 27.74 1wki n ARG 5 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1wki n ARG 6 N -0.62 0.36 -3.44 2.89 1.74 -1.26 -5.03 116.66 111.30 1wki n ARG 6 Ca 0.43 0.19 -0.19 0.00 -0.77 0.00 0.00 57.85 57.51 1wki n ARG 6 Cb 0.82 -2.44 -0.01 0.00 -1.02 0.00 0.00 32.46 29.81 1wki n ARG 6 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1wki s MET 7 N -3.95 2.81 -0.47 5.56 1.75 -1.26 -5.07 119.30 118.67 1wki s MET 7 Ca 0.75 -1.26 -0.23 0.00 -1.25 0.00 0.00 55.69 53.70 1wki s MET 7 Cb -0.31 -2.62 0.03 0.00 2.84 0.00 0.00 34.83 34.77 1wki s MET 7 CO 0.49 -0.08 0.80 0.21 -0.65 0.00 0.00 175.02 175.79 1wki s LYS 8 N -4.17 3.37 0.40 4.11 2.47 -1.26 -5.02 119.74 119.64 1wki s LYS 8 Ca 0.48 -0.18 0.00 0.00 -1.56 0.00 0.00 55.97 54.71 1wki s LYS 8 Cb -0.07 -3.97 -0.00 0.00 -1.46 0.00 0.00 37.83 32.33 1wki s LYS 8 CO 0.30 -1.18 0.02 0.66 0.16 0.00 0.00 175.35 175.30 1wki n TYR 9 N 6.80 0.85 -4.14 4.03 4.01 -1.26 -5.16 117.16 122.29 1wki n TYR 9 Ca 0.02 -2.05 -0.25 0.00 -0.16 0.00 0.00 57.90 55.46 1wki n TYR 9 Cb 0.48 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 39.21 1wki n TYR 9 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1wki s ARG 10 N -3.46 2.74 -0.38 -0.72 3.52 -1.26 -5.10 118.95 114.29 1wki s ARG 10 Ca 0.02 -1.02 0.01 0.00 -0.13 0.00 0.00 55.73 54.60 1wki s ARG 10 Cb 0.00 -2.51 0.14 0.00 -1.56 0.00 0.00 34.95 31.01 1wki s ARG 10 CO 0.02 0.44 0.21 0.21 -0.81 0.00 0.00 175.30 175.37 1wki s LYS 11 N -3.32 0.80 0.62 5.12 2.20 -1.26 -5.13 119.74 118.78 1wki s LYS 11 Ca 0.31 -1.52 -0.15 0.00 -0.36 0.00 0.00 55.97 54.25 1wki s LYS 11 Cb -0.09 -1.68 -0.02 0.00 -1.51 0.00 0.00 37.83 34.53 1wki s LYS 11 CO 0.22 -1.18 1.06 -1.14 -0.36 0.00 0.00 175.35 173.96 1wki s GLN 12 N 0.88 3.16 -0.08 4.03 0.74 -1.26 -5.02 119.66 122.11 1wki s GLN 12 Ca 0.17 1.18 -0.20 0.00 0.05 0.00 0.00 55.36 56.56 1wki s GLN 12 Cb -0.23 -2.01 -0.04 0.00 1.10 0.00 0.00 33.01 31.82 1wki s GLN 12 CO -0.01 -0.93 0.55 -0.65 -0.55 0.00 0.00 175.29 173.69 1wki s GLN 13 N -4.27 4.34 -0.32 1.67 1.11 -1.26 -5.05 119.66 115.88 1wki s GLN 13 Ca 0.63 0.60 0.01 0.00 0.01 0.00 0.00 55.36 56.61 1wki s GLN 13 Cb -0.16 -3.41 0.10 0.00 -1.01 0.00 0.00 33.01 28.53 1wki s GLN 13 CO 0.41 0.20 0.08 1.03 0.01 0.00 0.00 175.29 177.02 1wki s ARG 14 N 0.44 0.98 -0.04 2.91 0.52 -1.26 -4.88 118.95 117.61 1wki s ARG 14 Ca 0.29 -1.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.16 1wki s ARG 14 Cb -0.16 -2.41 0.05 0.00 0.52 0.00 0.00 34.95 32.95 1wki s ARG 14 CO 0.13 -0.97 0.50 0.41 0.02 0.00 0.00 175.30 175.39 1wki n GLY 15 N 4.63 -0.28 3.61 -3.53 0.00 -1.26 -5.15 105.19 103.20 1wki n GLY 15 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 0.02 2.21 -0.27 1.61 3.52 -1.26 -5.13 118.95 119.65 1wki s ARG 16 Ca 0.01 -1.10 -0.18 0.00 -0.13 0.00 0.00 55.73 54.34 1wki s ARG 16 Cb 0.05 -2.30 0.07 0.00 -1.56 0.00 0.00 34.95 31.22 1wki s ARG 16 CO -0.02 0.48 0.67 -1.17 -0.81 0.00 0.00 175.30 174.45 1wki s LEU 17 N -2.57 -0.79 0.23 -0.88 1.98 -1.26 -5.04 118.68 110.35 1wki s LEU 17 Ca 0.24 1.43 0.12 0.00 -2.89 0.00 0.00 54.13 53.03 1wki s LEU 17 Cb -0.10 2.30 0.05 0.00 0.66 0.00 0.00 46.19 49.10 1wki s LEU 17 CO 0.16 -0.24 1.43 0.11 -1.89 0.00 0.00 176.35 175.92 1wki h LYS 18 N 6.49 0.00 0.00 1.98 1.79 -2.10 -3.45 116.57 121.29 1wki h LYS 18 Ca -0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1wki h LYS 18 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1wki h LYS 18 CO 0.15 0.70 0.00 0.41 -1.08 0.00 0.00 179.45 179.62 1wki n GLY 19 N 1.08 -1.34 3.87 3.86 0.00 -1.26 -5.17 105.19 106.23 1wki n GLY 19 Ca 0.01 0.85 -0.32 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 3.51 -0.29 4.61 0.00 -1.26 -5.07 121.76 123.26 1wki s ALA 20 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1wki s ALA 20 Cb 0.00 -2.52 0.15 0.00 0.00 0.00 0.00 23.12 20.75 1wki s ALA 20 CO 0.00 0.47 0.35 0.95 0.00 0.00 0.00 175.76 177.52 1wki s THR 21 N -1.83 -0.51 0.33 0.00 -4.23 -1.26 -5.14 115.64 103.00 1wki s THR 21 Ca 0.48 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.61 1wki s THR 21 Cb -0.11 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.77 1wki s THR 21 CO 0.20 -0.39 0.20 0.29 -0.54 0.00 0.00 174.62 174.38 1wki n LYS 22 N 5.31 1.05 -2.34 3.99 4.76 -1.26 -5.06 118.16 124.62 1wki n LYS 22 Ca -0.01 -2.10 -0.42 0.00 -2.87 0.00 0.00 58.31 52.91 1wki n LYS 22 Cb 0.48 0.29 -0.02 0.00 -1.84 0.00 0.00 35.03 33.94 1wki n LYS 22 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1wki s GLY 23 N -3.06 0.96 0.00 0.72 0.00 -1.26 -4.80 107.32 99.87 1wki s GLY 23 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1wki s GLY 23 CO 0.10 2.83 0.00 0.61 0.00 0.00 0.00 173.10 176.64 1wki n GLY 24 N 5.20 2.56 2.39 0.20 0.00 -1.26 -5.05 105.19 109.22 1wki n GLY 24 Ca 0.15 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 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 0.00 -3.63 0.00 1.61 9.92 0.14 -5.04 116.55 119.55 1wki n ASP 25 Ca 0.00 -0.65 0.00 0.00 -0.53 0.00 0.00 54.79 53.61 1wki n ASP 25 Cb 0.00 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 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 -5.11 0.00 0.00 1.24 9.36 -1.26 -4.96 117.16 116.43 1wki n TYR 26 Ca 0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.32 1wki n TYR 26 Cb 0.45 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.16 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1wki n VAL 27 N 0.00 0.00 -1.31 2.97 0.31 -1.26 -4.52 118.33 114.52 1wki n VAL 27 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 1wki n VAL 27 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 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 -1.14 -3.49 -0.70 3.52 0.00 -1.26 -4.66 120.51 112.77 1wki n ALA 28 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1wki n ALA 28 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -4.01 0.00 -3.35 0.00 3.72 -1.26 -4.73 117.46 107.83 1wki n PHE 29 Ca -0.05 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.17 1wki n PHE 29 Cb 0.64 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.17 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 1.75 0.30 1.37 0.00 -1.26 -4.90 107.32 104.56 1wki s GLY 30 Ca 0.00 -1.56 0.04 0.00 0.00 0.00 0.00 44.72 43.20 1wki s GLY 30 CO 0.00 -1.44 1.74 -0.55 0.00 0.00 0.00 173.10 172.85 1wki h ASP 31 N 0.84 0.40 -1.39 1.64 5.19 -0.98 -3.44 116.42 118.68 1wki h ASP 31 Ca -0.44 -0.14 -0.49 0.00 -0.62 0.00 0.00 57.03 55.35 1wki h ASP 31 Cb 1.26 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 1wki h ASP 31 CO 0.51 0.67 -0.33 -0.31 -3.12 0.00 0.00 179.24 176.66 1wki s TYR 32 N -4.44 2.57 -0.25 4.55 2.02 -0.37 0.14 117.35 121.56 1wki s TYR 32 Ca -0.06 -0.51 -0.15 0.00 -0.37 0.00 0.00 57.07 55.98 1wki s TYR 32 Cb 0.14 -2.20 0.07 0.00 -0.40 0.00 0.00 41.96 39.58 1wki s TYR 32 CO 0.78 -0.27 0.62 0.20 -1.57 0.00 0.00 175.55 175.31 1wki s GLY 33 N -4.21 -0.55 -0.46 0.71 0.00 0.23 -2.97 107.32 100.07 1wki s GLY 33 Ca 0.49 2.16 -0.21 0.00 0.00 0.00 0.00 44.72 47.16 1wki s GLY 33 CO 0.29 2.17 0.68 -2.27 0.00 0.00 0.00 173.10 173.97 1wki s LEU 34 N 1.48 4.51 -0.03 0.66 1.98 0.27 -1.23 118.68 126.32 1wki s LEU 34 Ca -0.09 -0.40 -0.05 0.00 -2.89 0.00 0.00 54.13 50.69 1wki s LEU 34 Cb -0.06 -2.72 -0.04 0.00 0.66 0.00 0.00 46.19 44.03 1wki s LEU 34 CO -0.17 -0.85 0.20 0.54 -1.89 0.00 0.00 176.35 174.18 1wki s VAL 35 N 2.95 5.40 -0.46 1.68 0.11 -0.92 -1.19 120.40 127.97 1wki s VAL 35 Ca 0.23 0.05 -0.18 0.00 -2.93 0.00 0.00 61.98 59.14 1wki s VAL 35 Cb -0.14 -3.52 0.04 0.00 -1.53 0.00 0.00 36.38 31.23 1wki s VAL 35 CO 0.18 0.41 0.53 0.00 -3.33 0.00 0.00 175.10 172.89 1wki s ALA 36 N -1.25 3.42 -1.74 1.54 0.00 0.52 -2.04 121.76 122.21 1wki s ALA 36 Ca 0.25 -1.64 0.23 0.00 0.00 0.00 0.00 51.96 50.80 1wki s ALA 36 Cb -0.13 -3.20 1.30 0.00 0.00 0.00 0.00 23.12 21.09 1wki s ALA 36 CO 0.14 -1.79 1.77 1.28 0.00 0.00 0.00 175.76 177.16 1wki n LEU 37 N 5.84 0.00 -3.94 0.00 4.77 0.21 0.10 117.00 123.98 1wki n LEU 37 Ca -0.07 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1wki n LEU 37 Cb 0.46 -0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1wki n LEU 37 CO 0.50 -0.03 -0.26 -0.70 -1.33 0.00 0.00 177.39 175.56 1wki s GLU 38 N -2.26 0.47 0.19 3.23 2.12 -1.22 -4.48 118.70 116.75 1wki s GLU 38 Ca 0.29 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 1wki s GLU 38 Cb 0.16 0.18 -0.08 0.00 0.26 0.00 0.00 34.13 34.65 1wki s GLU 38 CO 0.31 -0.10 1.10 -1.25 -0.54 0.00 0.00 175.26 174.77 1wki s PRO 39 N -2.01 4.60 0.19 4.30 0.04 -1.26 -4.23 135.00 136.63 1wki s PRO 39 Ca -0.10 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.43 1wki s PRO 39 Cb -0.05 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.28 1wki s PRO 39 CO -0.02 0.09 0.93 0.00 0.04 0.00 0.00 177.00 178.04 1wki s ALA 40 N -0.36 -1.52 -0.35 8.56 0.00 -1.07 -4.92 121.76 122.10 1wki s ALA 40 Ca 0.49 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 1wki s ALA 40 Cb -0.30 0.69 0.05 0.00 0.00 0.00 0.00 23.12 23.57 1wki s ALA 40 CO 0.36 -1.04 0.12 -1.58 0.00 0.00 0.00 175.76 173.61 1wki s TRP 41 N -3.12 3.30 -0.17 0.00 0.51 -1.26 -0.94 118.94 117.25 1wki s TRP 41 Ca 0.14 -1.62 -0.26 0.00 -2.12 0.00 0.00 56.10 52.24 1wki s TRP 41 Cb -0.02 -2.44 -0.01 0.00 -0.81 0.00 0.00 33.47 30.18 1wki s TRP 41 CO 0.04 -0.78 0.86 0.42 -0.51 0.00 0.00 176.95 176.97 1wki s ILE 42 N 1.35 4.86 0.87 2.03 -1.09 -0.97 -4.71 121.20 123.54 1wki s ILE 42 Ca -0.01 1.68 -0.13 0.00 -2.23 0.00 0.00 60.65 59.96 1wki s ILE 42 Cb -0.20 -4.16 0.12 0.00 -1.58 0.00 0.00 42.46 36.64 1wki s ILE 42 CO 0.01 0.00 1.20 0.42 -1.23 0.00 0.00 174.94 175.35 1wki s THR 43 N 2.26 1.99 0.15 2.92 -4.23 -1.26 0.53 115.64 118.00 1wki s THR 43 Ca 0.39 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.75 1wki s THR 43 Cb -0.16 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.76 1wki s THR 43 CO 0.12 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.95 1wki h ALA 44 N -1.30 0.60 -0.93 3.99 0.00 -1.97 -2.75 119.26 116.90 1wki h ALA 44 Ca -0.46 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.37 1wki h ALA 44 Cb 1.31 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1wki h ALA 44 CO 0.59 0.14 0.61 1.96 0.00 0.00 0.00 179.25 182.55 1wki h GLN 45 N 0.61 1.19 -0.52 0.00 1.08 -1.93 -1.97 115.11 113.57 1wki h GLN 45 Ca 0.16 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1wki h GLN 45 Cb 0.08 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 1wki h GLN 45 CO -0.02 0.79 0.35 1.96 -0.95 0.00 0.00 178.83 180.95 1wki h GLN 46 N 1.22 0.57 -0.03 1.46 4.20 -1.86 2.50 115.11 123.17 1wki h GLN 46 Ca 0.35 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 1wki h GLN 46 Cb -0.08 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1wki h GLN 46 CO -0.09 0.38 -0.08 0.82 -0.67 0.00 0.00 178.83 179.19 1wki h ILE 47 N 0.59 1.46 0.06 2.54 2.04 -1.31 -2.66 117.51 120.23 1wki h ILE 47 Ca 0.21 -1.49 -0.14 0.00 1.00 0.00 0.00 64.86 64.44 1wki h ILE 47 Cb 0.10 2.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1wki h ILE 47 CO -0.05 0.40 -0.72 -0.08 0.00 0.00 0.00 178.15 177.70 1wki h GLU 48 N -0.46 0.12 -0.52 2.37 4.81 -1.12 -3.05 114.58 116.74 1wki h GLU 48 Ca -0.00 -0.21 0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1wki h GLU 48 Cb 0.69 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 1wki h GLU 48 CO 0.02 1.10 0.17 0.00 -0.73 0.00 0.00 179.01 179.56 1wki h ALA 49 N -0.08 0.62 -0.54 2.92 0.00 0.41 -0.33 119.26 122.27 1wki h ALA 49 Ca -0.16 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1wki h ALA 49 Cb 1.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1wki h ALA 49 CO 0.01 -0.24 0.11 0.00 0.00 0.00 0.00 179.25 179.14 1wki h ALA 50 N 1.36 0.71 -0.81 0.00 0.00 -1.51 -2.82 119.26 116.19 1wki h ALA 50 Ca 0.25 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wki h ALA 50 Cb 0.30 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1wki h ALA 50 CO -0.28 0.43 0.52 0.00 0.00 0.00 0.00 179.25 179.93 1wki h ARG 51 N 0.77 1.01 -0.93 0.00 3.08 -1.25 -0.38 114.38 116.68 1wki h ARG 51 Ca 0.17 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.18 1wki h ARG 51 Cb 0.37 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 1wki h ARG 51 CO 0.01 0.67 0.61 0.28 -1.07 0.00 0.00 179.97 180.46 1wki h VAL 52 N 1.04 1.18 -0.20 2.04 2.07 -0.88 0.36 116.25 121.86 1wki h VAL 52 Ca 0.31 -0.41 -0.17 0.00 0.82 0.00 0.00 66.70 67.25 1wki h VAL 52 Cb -0.04 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.60 1wki h VAL 52 CO -0.10 0.22 -0.58 0.00 0.02 0.00 0.00 177.57 177.13 1wki h ALA 53 N 1.37 0.60 -0.04 1.67 0.00 -1.15 -2.69 119.26 119.02 1wki h ALA 53 Ca 0.37 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1wki h ALA 53 Cb -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wki h ALA 53 CO -0.11 0.69 -0.07 0.52 0.00 0.00 0.00 179.25 180.28 1wki h MET 54 N 0.49 0.12 -0.84 0.00 2.07 -0.52 -1.98 114.93 114.28 1wki h MET 54 Ca 0.00 -0.08 0.08 0.00 -2.07 0.00 0.00 59.70 57.63 1wki h MET 54 Cb 1.15 0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 30.83 1wki h MET 54 CO 0.11 0.64 0.55 0.28 1.07 0.00 0.00 176.91 179.57 1wki h VAL 55 N -0.38 1.01 0.00 -2.22 2.07 -0.36 -0.85 116.25 115.52 1wki h VAL 55 Ca 0.00 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 1wki h VAL 55 Cb 0.63 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1wki h VAL 55 CO 0.02 0.16 -0.71 0.03 0.02 0.00 0.00 177.57 177.09 1wki h ARG 56 N 0.88 0.00 0.02 1.57 3.08 -1.48 -3.28 114.38 115.18 1wki h ARG 56 Ca 0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.42 1wki h ARG 56 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1wki h ARG 56 CO -0.14 0.71 -0.01 1.25 -1.07 0.00 0.00 179.97 180.70 1wki h HIS 57 N 0.00 -0.03 -1.09 3.04 2.76 -0.37 -3.42 115.15 116.04 1wki h HIS 57 Ca -0.01 -0.00 -0.63 0.00 -2.20 0.00 0.00 60.37 57.53 1wki h HIS 57 Cb 1.30 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.25 1wki h HIS 57 CO 0.00 0.20 1.47 1.19 -1.30 0.00 0.00 177.93 179.49 1wki n PHE 58 N -5.00 1.51 0.08 5.26 3.72 -0.92 -4.81 117.46 117.31 1wki n PHE 58 Ca -0.08 0.25 -0.10 0.00 -0.05 0.00 0.00 57.45 57.48 1wki n PHE 58 Cb 0.14 -2.54 -0.04 0.00 -0.94 0.00 0.00 39.48 36.09 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 13.28 0.19 -1.03 -1.08 3.08 -1.89 -3.22 114.38 123.72 1wki h ARG 59 Ca -0.25 -0.23 -0.52 0.00 0.07 0.00 0.00 59.98 59.05 1wki h ARG 59 Cb 1.31 0.07 -0.28 0.00 0.08 0.00 0.00 29.97 31.16 1wki h ARG 59 CO 1.06 1.00 0.66 0.54 -1.07 0.00 0.00 179.97 182.17 1wki n ARG 60 N -3.60 2.26 -1.06 0.04 5.12 -1.26 -5.03 116.66 113.12 1wki n ARG 60 Ca -0.04 -2.82 0.13 0.00 -1.93 0.00 0.00 57.85 53.19 1wki n ARG 60 Cb 0.86 -2.11 -0.06 0.00 -1.16 0.00 0.00 32.46 29.99 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 -0.92 -2.78 0.00 -0.13 0.00 -1.22 -4.90 105.19 95.24 1wki n GLY 61 Ca 0.56 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.79 0.71 3.06 -0.02 0.00 -1.26 -4.43 105.19 99.46 1wki n GLY 62 Ca -0.05 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 0.42 0.02 1.61 -2.85 -1.25 -4.99 119.74 110.69 1wki s LYS 63 Ca 0.00 -0.46 0.08 0.00 -1.00 0.00 0.00 55.97 54.59 1wki s LYS 63 Cb 0.00 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 1wki s LYS 63 CO 0.00 -0.09 -0.24 0.42 0.10 0.00 0.00 175.35 175.54 1wki s ILE 64 N -1.38 2.33 -0.30 3.79 1.01 -1.26 -3.14 121.20 122.25 1wki s ILE 64 Ca -0.15 -1.23 -0.02 0.00 0.00 0.00 0.00 60.65 59.25 1wki s ILE 64 Cb -0.08 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.54 1wki s ILE 64 CO 0.01 0.42 0.00 -0.36 0.00 0.00 0.00 174.94 175.02 1wki s PHE 65 N -0.78 3.28 -0.07 3.97 0.08 0.10 -4.97 117.98 119.60 1wki s PHE 65 Ca 0.12 -1.93 -0.12 0.00 0.12 0.00 0.00 56.93 55.12 1wki s PHE 65 Cb -0.10 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.14 1wki s PHE 65 CO 0.02 -0.82 0.30 0.42 -0.10 0.00 0.00 175.22 175.05 1wki s ILE 66 N 1.24 5.23 -0.07 0.64 -1.09 -1.26 -2.84 121.20 123.05 1wki s ILE 66 Ca -0.05 0.59 0.06 0.00 -2.23 0.00 0.00 60.65 59.02 1wki s ILE 66 Cb -0.20 -3.60 -0.08 0.00 -1.58 0.00 0.00 42.46 37.00 1wki s ILE 66 CO -0.01 0.56 0.02 0.54 -1.23 0.00 0.00 174.94 174.82 1wki n ARG 67 N 2.17 2.83 -1.94 2.79 5.12 -1.20 -5.03 116.66 121.41 1wki n ARG 67 Ca -0.16 -0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.37 1wki n ARG 67 Cb 0.53 -1.17 0.01 0.00 -1.16 0.00 0.00 32.46 30.67 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 -2.16 2.39 -0.09 0.55 -4.36 -1.26 -5.04 121.20 111.24 1wki s ILE 68 Ca -0.04 0.33 -0.04 0.00 -0.26 0.00 0.00 60.65 60.65 1wki s ILE 68 Cb 0.02 -3.19 0.05 0.00 1.25 0.00 0.00 42.46 40.59 1wki s ILE 68 CO 0.27 0.03 0.19 0.12 0.24 0.00 0.00 174.94 175.79 1wki s PHE 69 N -1.28 -0.24 0.13 1.37 5.36 -1.26 -5.08 117.98 116.97 1wki s PHE 69 Ca 0.62 0.66 -0.31 0.00 -0.96 0.00 0.00 56.93 56.93 1wki s PHE 69 Cb -0.39 -0.10 -0.09 0.00 -0.34 0.00 0.00 43.02 42.09 1wki s PHE 69 CO 0.49 -0.24 1.57 -2.14 -1.46 0.00 0.00 175.22 173.44 1wki s PRO 70 N 1.71 4.22 0.00 10.12 0.02 -1.26 -4.51 135.00 145.30 1wki s PRO 70 Ca -0.04 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1wki s PRO 70 Cb -0.12 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1wki s PRO 70 CO -0.07 -0.62 0.88 -0.40 -0.33 0.00 0.00 177.00 176.46 1wki n ASP 71 N 4.47 -0.76 -3.66 2.53 5.75 -0.21 -4.77 116.55 119.91 1wki n ASP 71 Ca 0.14 -1.76 -0.23 0.00 -0.01 0.00 0.00 54.79 52.93 1wki n ASP 71 Cb 0.40 0.23 -0.17 0.00 -1.03 0.00 0.00 41.12 40.54 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1wki s LYS 72 N 0.00 0.10 -0.20 0.11 2.36 -1.07 -4.90 119.74 116.15 1wki s LYS 72 Ca 0.00 0.09 -0.29 0.00 -2.55 0.00 0.00 55.97 53.22 1wki s LYS 72 Cb 0.00 -1.26 -0.02 0.00 -1.05 0.00 0.00 37.83 35.50 1wki s LYS 72 CO 0.00 -0.50 1.42 -1.25 1.55 0.00 0.00 175.35 176.57 1wki s PRO 73 N 2.11 4.03 -0.08 4.03 0.04 -1.26 -1.03 135.00 142.85 1wki s PRO 73 Ca 0.03 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 1wki s PRO 73 Cb -0.14 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 1wki s PRO 73 CO -0.06 -0.98 0.10 1.52 0.04 0.00 0.00 177.00 177.62 1wki s TYR 74 N 4.23 3.44 -0.18 0.56 -0.85 -1.25 -5.00 117.35 118.30 1wki s TYR 74 Ca 0.62 0.37 0.00 0.00 -0.52 0.00 0.00 57.07 57.55 1wki s TYR 74 Cb -0.23 -1.86 0.02 0.00 0.38 0.00 0.00 41.96 40.27 1wki s TYR 74 CO 0.23 0.63 -0.18 0.95 -1.52 0.00 0.00 175.55 175.66 1wki s THR 75 N -1.06 2.20 -0.51 -3.49 -4.23 -1.26 -3.54 115.64 103.74 1wki s THR 75 Ca 0.17 -0.89 -0.19 0.00 -1.18 0.00 0.00 61.69 59.61 1wki s THR 75 Cb -0.12 -1.93 0.07 0.00 1.34 0.00 0.00 72.50 71.85 1wki s THR 75 CO 0.07 0.53 0.61 -0.54 -0.54 0.00 0.00 174.62 174.74 1wki s LYS 76 N 1.31 3.09 -0.20 3.99 1.02 -1.26 -5.03 119.74 122.67 1wki s LYS 76 Ca 0.05 -1.02 0.01 0.00 0.02 0.00 0.00 55.97 55.03 1wki s LYS 76 Cb -0.13 -4.13 0.04 0.00 -0.52 0.00 0.00 37.83 33.09 1wki s LYS 76 CO -0.12 -1.24 -0.10 0.15 -0.92 0.00 0.00 175.35 173.11 1wki s LYS 77 N 2.50 2.03 0.30 1.68 3.01 -1.26 -5.00 119.74 123.00 1wki s LYS 77 Ca 0.13 -0.83 0.08 0.00 -1.01 0.00 0.00 55.97 54.34 1wki s LYS 77 Cb -0.21 -2.40 0.46 0.00 -1.01 0.00 0.00 37.83 34.68 1wki s LYS 77 CO 0.10 -0.42 1.69 -1.00 0.51 0.00 0.00 175.35 176.24 1wki h PRO 78 N 7.98 0.17 -6.17 -1.68 0.13 -2.08 -3.45 132.00 126.90 1wki h PRO 78 Ca -0.28 -0.09 -0.54 0.00 -0.87 0.00 0.00 66.00 64.22 1wki h PRO 78 Cb 1.10 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.15 1wki h PRO 78 CO 0.48 0.59 -0.59 -0.51 -0.23 0.00 0.00 178.00 177.74 1wki s LEU 79 N -8.12 3.35 -0.06 1.56 1.43 -1.26 -5.08 118.68 110.50 1wki s LEU 79 Ca -0.04 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.17 1wki s LEU 79 Cb 0.13 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1wki s LEU 79 CO 0.77 -0.09 1.37 -1.61 0.23 0.00 0.00 176.35 177.02 1wki s GLU 80 N -3.76 4.27 0.30 1.70 2.02 -1.26 -4.98 118.70 116.98 1wki s GLU 80 Ca 0.34 1.88 -0.29 0.00 0.02 0.00 0.00 54.97 56.92 1wki s GLU 80 Cb -0.06 -3.68 -0.10 0.00 0.10 0.00 0.00 34.13 30.40 1wki s GLU 80 CO 0.22 -0.63 1.27 0.14 0.02 0.00 0.00 175.26 176.28 1wki s VAL 81 N 2.87 2.92 -1.41 2.63 -7.23 -1.26 -4.92 120.40 114.01 1wki s VAL 81 Ca 0.62 0.90 -0.08 0.00 -1.81 0.00 0.00 61.98 61.60 1wki s VAL 81 Cb -0.28 -3.57 0.07 0.00 0.56 0.00 0.00 36.38 33.15 1wki s VAL 81 CO 0.23 0.20 2.40 0.54 -0.31 0.00 0.00 175.10 178.17 1wki n ARG 82 N 1.16 3.95 -2.42 4.82 1.74 -1.26 -4.79 116.66 119.86 1wki n ARG 82 Ca 0.01 -3.06 -0.01 0.00 -0.77 0.00 0.00 57.85 54.02 1wki n ARG 82 Cb 0.42 -2.82 -0.01 0.00 -1.02 0.00 0.00 32.46 29.04 1wki n ARG 82 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1wki n MET 83 N 3.18 -5.13 0.00 5.56 1.56 -1.26 -5.08 117.12 115.94 1wki n MET 83 Ca 0.60 3.75 0.00 0.00 -0.27 0.00 0.00 57.70 61.78 1wki n MET 83 Cb 0.28 -4.87 0.00 0.00 2.15 0.00 0.00 33.22 30.78 1wki n MET 83 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1wki n GLY 84 N 1.82 1.62 1.64 -5.12 0.00 -1.26 -5.01 105.19 98.88 1wki n GLY 84 Ca -0.11 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.10 4.10 -3.63 1.61 4.76 -1.26 -4.90 118.16 118.73 1wki n LYS 85 Ca 0.00 -2.71 -0.11 0.00 -2.87 0.00 0.00 58.31 52.62 1wki n LYS 85 Cb 0.00 -2.06 -0.07 0.00 -1.84 0.00 0.00 35.03 31.06 1wki n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1wki s GLY 86 N -0.74 -0.34 -0.11 0.72 0.00 -1.26 -5.05 107.32 100.54 1wki s GLY 86 Ca 0.47 2.36 0.24 0.00 0.00 0.00 0.00 44.72 47.80 1wki s GLY 86 CO 0.17 1.80 1.15 1.17 0.00 0.00 0.00 173.10 177.39 1wki n LYS 87 N 2.47 0.69 0.00 2.90 4.81 -1.26 -5.09 118.16 122.69 1wki n LYS 87 Ca -0.13 -2.57 0.00 0.00 -0.87 0.00 0.00 58.31 54.74 1wki n LYS 87 Cb 0.55 -0.62 0.00 0.00 0.02 0.00 0.00 35.03 34.99 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wki n GLY 88 N 0.04 1.42 3.50 3.14 0.00 -1.26 -5.03 105.19 107.00 1wki n GLY 88 Ca 0.06 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 1wki n GLY 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wki s ASN 89 N -4.00 3.85 0.17 1.61 3.84 -1.26 -5.12 114.94 114.03 1wki s ASN 89 Ca 0.00 -0.75 -0.28 0.00 0.21 0.00 0.00 52.86 52.03 1wki s ASN 89 Cb 0.00 -0.48 -0.08 0.00 -0.55 0.00 0.00 41.25 40.14 1wki s ASN 89 CO 0.00 0.10 0.89 0.54 -2.79 0.00 0.00 177.10 175.84 1wki s VAL 90 N -1.82 4.31 -1.37 -5.21 0.11 -1.26 -4.97 120.40 110.20 1wki s VAL 90 Ca 0.24 1.95 -0.14 0.00 -2.93 0.00 0.00 61.98 61.10 1wki s VAL 90 Cb -0.08 -4.26 0.08 0.00 -1.53 0.00 0.00 36.38 30.59 1wki s VAL 90 CO 0.13 0.45 1.97 -0.62 -3.33 0.00 0.00 175.10 173.70 1wki n GLU 91 N 1.96 3.11 0.00 1.54 1.02 -1.23 -4.95 120.64 122.09 1wki n GLU 91 Ca -0.02 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.09 1wki n GLU 91 Cb 0.48 -3.28 0.00 0.00 -0.02 0.00 0.00 31.44 28.63 1wki n GLU 91 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wki n GLY 92 N 4.28 0.41 3.44 0.62 0.00 -1.26 -4.20 105.19 108.48 1wki n GLY 92 Ca 0.48 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 2.01 0.29 1.61 2.02 -1.26 -3.75 117.35 118.27 1wki s TYR 93 Ca 0.00 -0.64 0.03 0.00 -0.37 0.00 0.00 57.07 56.10 1wki s TYR 93 Cb 0.00 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 1wki s TYR 93 CO 0.00 0.36 0.18 0.14 -1.57 0.00 0.00 175.55 174.66 1wki s VAL 94 N -2.92 0.18 -0.31 0.71 -7.23 -0.20 -3.74 120.40 106.89 1wki s VAL 94 Ca 0.29 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 1wki s VAL 94 Cb 0.03 -2.51 0.09 0.00 0.56 0.00 0.00 36.38 34.55 1wki s VAL 94 CO 0.12 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 174.94 1wki s ALA 95 N -3.70 2.55 0.16 1.32 0.00 0.19 -1.05 121.76 121.23 1wki s ALA 95 Ca 0.38 -2.18 -0.33 0.00 0.00 0.00 0.00 51.96 49.83 1wki s ALA 95 Cb 0.05 -1.81 -0.13 0.00 0.00 0.00 0.00 23.12 21.24 1wki s ALA 95 CO 0.19 -1.57 1.70 0.28 0.00 0.00 0.00 175.76 176.36 1wki n VAL 96 N 4.41 0.09 -4.33 0.00 0.31 -1.26 -2.29 118.33 115.27 1wki n VAL 96 Ca -0.01 -0.02 -0.19 0.00 -0.01 0.00 0.00 64.34 64.11 1wki n VAL 96 Cb 0.42 -1.83 -0.10 0.00 -0.91 0.00 0.00 33.84 31.42 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 1.48 1.70 0.13 2.52 1.01 -0.12 -4.98 120.40 122.13 1wki s VAL 97 Ca 0.79 -2.06 0.05 0.00 0.00 0.00 0.00 61.98 60.75 1wki s VAL 97 Cb -0.58 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1wki s VAL 97 CO 0.36 -0.50 -0.12 -0.54 0.00 0.00 0.00 175.10 174.30 1wki s LYS 98 N -3.29 1.00 -0.23 2.72 1.02 -1.26 -2.60 119.74 117.10 1wki s LYS 98 Ca 0.19 -1.28 -0.38 0.00 0.02 0.00 0.00 55.97 54.51 1wki s LYS 98 Cb -0.03 -0.76 -0.14 0.00 -0.52 0.00 0.00 37.83 36.39 1wki s LYS 98 CO 0.06 0.13 1.82 -0.35 -0.92 0.00 0.00 175.35 176.09 1wki n PRO 99 N 0.33 1.45 -0.45 -1.68 -0.04 -1.22 -2.06 135.00 131.34 1wki n PRO 99 Ca -0.14 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1wki n PRO 99 Cb 0.58 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 1wki n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wki n GLY 100 N 4.42 1.49 3.25 0.55 0.00 0.28 -4.88 105.19 110.31 1wki n GLY 100 Ca 0.26 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.48 2.98 -0.83 1.61 6.06 -0.87 0.27 118.95 126.69 1wki s ARG 101 Ca 0.00 -0.89 -0.24 0.00 -2.50 0.00 0.00 55.73 52.10 1wki s ARG 101 Cb 0.00 -3.08 0.06 0.00 0.06 0.00 0.00 34.95 31.99 1wki s ARG 101 CO 0.00 -0.38 1.23 0.08 -2.50 0.00 0.00 175.30 173.73 1wki s VAL 102 N 1.39 4.06 -0.13 7.11 1.01 -1.26 -0.35 120.40 132.23 1wki s VAL 102 Ca 0.02 -0.39 0.16 0.00 0.00 0.00 0.00 61.98 61.77 1wki s VAL 102 Cb -0.16 -4.88 -0.07 0.00 0.00 0.00 0.00 36.38 31.26 1wki s VAL 102 CO -0.03 -1.74 1.04 0.00 0.00 0.00 0.00 175.10 174.37 1wki h MET 103 N 9.68 0.00 -6.29 2.72 -0.00 -1.53 -3.46 114.93 116.05 1wki h MET 103 Ca -0.08 0.00 -0.58 0.00 -0.00 0.00 0.00 59.70 59.04 1wki h MET 103 Cb 1.04 0.00 -0.22 0.00 -0.00 0.00 0.00 31.60 32.42 1wki h MET 103 CO 1.27 0.35 -0.83 -0.06 -0.00 0.00 0.00 176.91 177.64 1wki s PHE 104 N -2.95 1.88 -0.18 -0.10 0.40 -1.18 -3.21 117.98 112.63 1wki s PHE 104 Ca -0.01 -0.41 -0.09 0.00 -0.60 0.00 0.00 56.93 55.82 1wki s PHE 104 Cb 0.08 -1.02 0.07 0.00 0.51 0.00 0.00 43.02 42.66 1wki s PHE 104 CO 0.79 0.23 0.42 -1.21 0.70 0.00 0.00 175.22 176.15 1wki s GLU 105 N -1.95 0.39 0.24 0.44 8.01 -1.13 0.93 118.70 125.63 1wki s GLU 105 Ca 0.08 0.88 0.11 0.00 0.01 0.00 0.00 54.97 56.05 1wki s GLU 105 Cb -0.10 0.08 -0.05 0.00 -4.31 0.00 0.00 34.13 29.76 1wki s GLU 105 CO 0.05 -0.18 -0.19 0.14 0.01 0.00 0.00 175.26 175.08 1wki s VAL 106 N 1.76 2.57 -0.12 2.63 -7.23 -1.16 0.02 120.40 118.88 1wki s VAL 106 Ca -0.07 -2.18 -0.15 0.00 -1.81 0.00 0.00 61.98 57.77 1wki s VAL 106 Cb -0.09 -2.31 0.04 0.00 0.56 0.00 0.00 36.38 34.58 1wki s VAL 106 CO -0.13 -0.27 0.41 0.00 -0.31 0.00 0.00 175.10 174.79 1wki s ALA 107 N -2.13 -1.01 0.00 1.32 0.00 -1.19 -0.35 121.76 118.39 1wki s ALA 107 Ca 0.26 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1wki s ALA 107 Cb -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1wki s ALA 107 CO 0.14 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1wki n GLY 108 N 2.39 2.99 3.85 0.00 0.00 -1.26 -3.93 105.19 109.23 1wki n GLY 108 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.60 4.63 0.94 1.61 -7.23 -1.26 -4.96 120.40 111.53 1wki s VAL 109 Ca 0.00 1.01 -0.11 0.00 -1.81 0.00 0.00 61.98 61.06 1wki s VAL 109 Cb 0.00 -3.67 0.15 0.00 0.56 0.00 0.00 36.38 33.43 1wki s VAL 109 CO 0.00 -0.41 1.09 0.42 -0.31 0.00 0.00 175.10 175.89 1wki s THR 110 N -2.27 2.49 0.27 5.32 -4.23 -1.26 -4.61 115.64 111.36 1wki s THR 110 Ca 0.56 0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 1wki s THR 110 Cb -0.10 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.51 1wki s THR 110 CO 0.23 -0.21 1.91 -0.08 -0.54 0.00 0.00 174.62 175.94 1wki h GLU 111 N -1.76 1.16 -0.30 3.99 4.81 -1.97 0.81 114.58 121.33 1wki h GLU 111 Ca -0.50 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.62 1wki h GLU 111 Cb 1.29 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1wki h GLU 111 CO 0.52 0.77 0.03 0.93 -0.73 0.00 0.00 179.01 180.52 1wki h GLU 112 N 1.20 0.50 -0.04 1.92 5.08 -1.98 0.41 114.58 121.67 1wki h GLU 112 Ca 0.39 -0.15 -0.24 0.00 -1.00 0.00 0.00 59.36 58.37 1wki h GLU 112 Cb 0.04 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1wki h GLU 112 CO -0.13 0.63 -0.92 1.96 -1.00 0.00 0.00 179.01 179.55 1wki h GLN 113 N 0.31 0.60 -0.05 2.33 1.08 -1.81 -2.24 115.11 115.33 1wki h GLN 113 Ca 0.09 -0.59 -0.03 0.00 -1.45 0.00 0.00 58.65 56.67 1wki h GLN 113 Cb 0.39 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1wki h GLN 113 CO 0.01 1.20 -0.10 0.00 -0.95 0.00 0.00 178.83 178.99 1wki h ALA 114 N 0.60 0.08 -0.05 3.87 0.00 0.67 -0.22 119.26 124.21 1wki h ALA 114 Ca -0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1wki h ALA 114 Cb 1.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1wki h ALA 114 CO 0.17 -0.06 0.03 0.52 0.00 0.00 0.00 179.25 179.91 1wki h MET 115 N -0.35 0.08 -0.12 0.00 2.86 -0.28 0.13 114.93 117.25 1wki h MET 115 Ca 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1wki h MET 115 Cb 0.68 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1wki h MET 115 CO 0.02 0.16 0.05 1.49 1.06 0.00 0.00 176.91 179.70 1wki h GLU 116 N -0.03 0.17 -0.22 1.72 4.81 -1.48 -1.03 114.58 118.53 1wki h GLU 116 Ca 0.02 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1wki h GLU 116 Cb 0.11 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1wki h GLU 116 CO -0.00 0.25 0.05 0.00 -0.73 0.00 0.00 179.01 178.57 1wki h ALA 117 N 0.92 0.23 -0.06 2.92 0.00 -0.94 0.14 119.26 122.47 1wki h ALA 117 Ca 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wki h ALA 117 Cb 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1wki h ALA 117 CO -0.00 -0.38 0.02 -0.07 0.00 0.00 0.00 179.25 178.81 1wki h LEU 118 N 0.14 0.07 -0.11 0.00 4.07 -0.63 -1.86 115.31 116.98 1wki h LEU 118 Ca 0.10 -0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.82 1wki h LEU 118 Cb 0.09 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 41.83 1wki h LEU 118 CO -0.13 0.08 -0.89 -0.09 -1.08 0.00 0.00 178.44 176.32 1wki h ARG 119 N 0.08 0.73 -1.00 1.13 2.43 0.08 -3.18 114.38 114.66 1wki h ARG 119 Ca 0.02 -0.67 0.11 0.00 -0.81 0.00 0.00 59.98 58.63 1wki h ARG 119 Cb 0.03 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.67 1wki h ARG 119 CO -0.00 1.27 0.63 0.82 -1.51 0.00 0.00 179.97 181.18 1wki h ILE 120 N 0.46 0.95 -0.42 1.20 2.04 0.07 0.14 117.51 121.95 1wki h ILE 120 Ca -0.08 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1wki h ILE 120 Cb 1.53 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1wki h ILE 120 CO 0.18 0.19 0.18 0.00 0.00 0.00 0.00 178.15 178.70 1wki h ALA 121 N 1.53 0.54 0.00 1.87 0.00 -1.51 -2.50 119.26 119.19 1wki h ALA 121 Ca 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1wki h ALA 121 Cb 0.43 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wki h ALA 121 CO -0.24 0.13 -0.12 0.78 0.00 0.00 0.00 179.25 179.80 1wki h GLY 122 N 0.54 0.00 0.83 0.00 0.00 -1.25 -3.11 103.07 100.08 1wki h GLY 122 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1wki h GLY 122 CO -0.01 0.00 0.62 0.45 0.00 0.00 0.00 176.54 177.60 1wki h HIS 123 N 0.00 1.16 -0.04 5.60 -0.00 -0.30 -0.40 115.15 121.17 1wki h HIS 123 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1wki h HIS 123 Cb 0.70 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1wki h HIS 123 CO 0.00 0.64 0.00 0.36 -0.00 0.00 0.00 177.93 178.93 1wki n LYS 124 N -4.50 1.61 -2.77 2.45 2.85 -1.18 -4.90 118.16 111.72 1wki n LYS 124 Ca 0.13 -0.89 -0.31 0.00 -1.05 0.00 0.00 58.31 56.19 1wki n LYS 124 Cb 0.12 -1.46 -0.04 0.00 -0.65 0.00 0.00 35.03 33.00 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 -1.92 3.81 -0.11 -5.58 1.43 -0.16 -4.97 118.68 111.17 1wki s LEU 125 Ca 0.38 1.28 0.04 0.00 -1.03 0.00 0.00 54.13 54.79 1wki s LEU 125 Cb 0.20 -4.16 0.29 0.00 0.03 0.00 0.00 46.19 42.55 1wki s LEU 125 CO 0.32 -0.42 1.09 -0.81 0.23 0.00 0.00 176.35 176.76 1wki n PRO 126 N -1.24 2.16 -3.90 1.29 -0.04 -1.26 -4.88 135.00 127.13 1wki n PRO 126 Ca 0.04 -1.17 -0.09 0.00 -0.04 0.00 0.00 63.50 62.24 1wki n PRO 126 Cb 0.54 -1.68 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.53 0.02 0.03 0.52 -5.25 -1.26 -4.94 121.20 108.80 1wki s ILE 127 Ca 0.21 -1.19 -0.27 0.00 -0.99 0.00 0.00 60.65 58.41 1wki s ILE 127 Cb 0.16 -1.91 -0.05 0.00 2.95 0.00 0.00 42.46 43.62 1wki s ILE 127 CO 0.05 -0.11 0.86 -0.75 -1.79 0.00 0.00 174.94 173.21 1wki s LYS 128 N -3.96 4.56 0.07 0.37 2.36 -1.26 -4.91 119.74 116.97 1wki s LYS 128 Ca 0.16 1.23 0.02 0.00 -2.55 0.00 0.00 55.97 54.84 1wki s LYS 128 Cb 0.00 -3.41 -0.03 0.00 -1.05 0.00 0.00 37.83 33.34 1wki s LYS 128 CO 0.03 0.14 -0.08 0.95 1.55 0.00 0.00 175.35 177.94 1wki s THR 129 N 0.38 0.66 0.06 3.43 -4.23 -1.26 0.64 115.64 115.32 1wki s THR 129 Ca 0.44 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1wki s THR 129 Cb -0.21 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 1wki s THR 129 CO 0.25 -0.58 -0.04 -1.59 -0.54 0.00 0.00 174.62 172.12 1wki s LYS 130 N -2.57 0.65 0.07 3.99 -2.85 -0.87 -4.95 119.74 113.21 1wki s LYS 130 Ca 0.00 -1.17 -0.25 0.00 -1.00 0.00 0.00 55.97 53.56 1wki s LYS 130 Cb -0.03 0.04 -0.06 0.00 -2.06 0.00 0.00 37.83 35.71 1wki s LYS 130 CO -0.02 -0.06 0.75 0.42 0.10 0.00 0.00 175.35 176.54 1wki s ILE 131 N -3.42 4.65 -0.02 3.79 -1.09 -1.26 -2.16 121.20 121.68 1wki s ILE 131 Ca 0.05 1.61 -0.01 0.00 -2.23 0.00 0.00 60.65 60.07 1wki s ILE 131 Cb 0.04 -4.10 0.02 0.00 -1.58 0.00 0.00 42.46 36.84 1wki s ILE 131 CO -0.07 0.41 0.05 0.68 -1.23 0.00 0.00 174.94 174.79 1wki s VAL 132 N -0.37 -0.03 0.76 2.92 -7.23 -0.36 -4.96 120.40 111.12 1wki s VAL 132 Ca 0.37 0.11 -0.12 0.00 -1.81 0.00 0.00 61.98 60.54 1wki s VAL 132 Cb -0.21 -0.10 0.05 0.00 0.56 0.00 0.00 36.38 36.68 1wki s VAL 132 CO 0.23 0.05 1.11 -0.60 -0.31 0.00 0.00 175.10 175.58 1wki s ARG 133 N 0.60 2.39 -0.92 4.82 3.52 -1.24 0.77 118.95 128.90 1wki s ARG 133 Ca -0.05 0.47 -0.16 0.00 -0.13 0.00 0.00 55.73 55.86 1wki s ARG 133 Cb -0.07 -1.97 -0.26 0.00 -1.56 0.00 0.00 34.95 31.09 1wki s ARG 133 CO -0.02 -1.36 2.26 0.54 -0.81 0.00 0.00 175.30 175.90 1wki n ARG 134 N -3.23 0.22 -2.76 5.12 1.74 0.36 0.83 116.66 118.94 1wki n ARG 134 Ca 0.07 -0.33 -0.08 0.00 -0.77 0.00 0.00 57.85 56.74 1wki n ARG 134 Cb 0.57 -2.05 0.02 0.00 -1.02 0.00 0.00 32.46 29.99 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 10.67 -3.39 -4.07 0.55 2.03 -1.26 -5.01 116.55 116.07 1wki n ASP 135 Ca 0.60 -0.16 -0.35 0.00 0.52 0.00 0.00 54.79 55.40 1wki n ASP 135 Cb 0.25 -2.06 -0.11 0.00 -0.72 0.00 0.00 41.12 38.48 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 -2.99 3.34 -0.26 -1.67 0.00 0.24 -5.05 121.76 115.37 1wki s ALA 136 Ca 0.17 -2.97 0.01 0.00 0.00 0.00 0.00 51.96 49.17 1wki s ALA 136 Cb -0.07 -2.43 0.07 0.00 0.00 0.00 0.00 23.12 20.69 1wki s ALA 136 CO 0.21 -1.95 0.00 0.71 0.00 0.00 0.00 175.76 174.73 1wki s TYR 137 N 0.37 2.37 -0.24 0.00 1.51 -1.26 -3.66 117.35 116.44 1wki s TYR 137 Ca 0.14 -1.89 -0.14 0.00 -1.01 0.00 0.00 57.07 54.17 1wki s TYR 137 Cb -0.22 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1wki s TYR 137 CO -0.04 -0.81 0.34 -0.51 -1.11 0.00 0.00 175.55 173.42 1wki s ASP 138 N 1.40 6.28 -0.04 2.29 1.01 -1.26 -5.04 116.67 121.30 1wki s ASP 138 Ca 0.00 0.32 -0.30 0.00 0.71 0.00 0.00 52.55 53.28 1wki s ASP 138 Cb -0.18 -2.20 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1wki s ASP 138 CO -0.11 -0.10 1.51 -1.61 0.21 0.00 0.00 175.17 175.07 1wki s GLU 139 N 1.66 4.22 -0.69 8.23 2.02 -1.26 -4.97 118.70 127.92 1wki s GLU 139 Ca 0.15 2.05 -0.14 0.00 0.02 0.00 0.00 54.97 57.05 1wki s GLU 139 Cb -0.15 -3.77 0.18 0.00 0.10 0.00 0.00 34.13 30.48 1wki s GLU 139 CO 0.08 -0.72 0.63 0.00 0.02 0.00 0.00 175.26 175.27 1wki s ALA 140 N 3.25 3.86 0.00 5.21 0.00 -1.26 -5.37 121.76 127.46 1wki s ALA 140 Ca 0.68 -2.96 0.00 0.00 0.00 0.00 0.00 51.96 49.67 1wki s ALA 140 Cb -0.32 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1wki s ALA 140 CO 0.27 -2.15 0.00 0.94 0.00 0.00 0.00 175.76 174.82