#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 2.65 0.14 4.03 2.01 -1.26 -5.07 118.68 121.18 1wki s LEU 2 Ca 0.00 0.89 -0.08 0.00 0.01 0.00 0.00 54.13 54.95 1wki s LEU 2 Cb 0.00 -3.49 -0.06 0.00 0.01 0.00 0.00 46.19 42.65 1wki s LEU 2 CO 0.00 -1.71 0.43 -0.04 1.01 0.00 0.00 176.35 176.05 1wki s MET 3 N -5.49 3.73 -0.27 1.70 -1.94 -1.26 -5.03 119.30 110.73 1wki s MET 3 Ca 0.61 0.11 -0.29 0.00 -1.71 0.00 0.00 55.69 54.41 1wki s MET 3 Cb -0.11 -2.86 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 1wki s MET 3 CO 0.50 0.46 1.61 -1.25 -0.01 0.00 0.00 175.02 176.33 1wki s PRO 4 N -2.41 3.69 -0.10 2.03 0.04 -1.26 -4.39 135.00 132.60 1wki s PRO 4 Ca 0.40 1.51 -0.07 0.00 0.04 0.00 0.00 61.00 62.87 1wki s PRO 4 Cb -0.13 -4.06 0.03 0.00 0.04 0.00 0.00 34.50 30.39 1wki s PRO 4 CO 0.21 -1.42 0.14 0.54 0.04 0.00 0.00 177.00 176.51 1wki n ARG 5 N 7.84 -4.76 0.05 4.56 1.74 -1.26 -4.93 116.66 119.90 1wki n ARG 5 Ca 0.19 3.53 -0.11 0.00 -0.77 0.00 0.00 57.85 60.69 1wki n ARG 5 Cb 0.46 -4.83 -0.13 0.00 -1.02 0.00 0.00 32.46 26.94 1wki n ARG 5 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wki h ARG 6 N 4.06 0.11 -5.61 5.56 3.08 -2.03 -3.45 114.38 116.09 1wki h ARG 6 Ca -0.33 -0.18 -0.58 0.00 0.07 0.00 0.00 59.98 58.96 1wki h ARG 6 Cb 0.74 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.77 1wki h ARG 6 CO 0.01 0.97 -0.25 1.41 -1.07 0.00 0.00 179.97 181.04 1wki s MET 7 N -2.66 4.28 0.57 0.04 1.75 -1.26 -4.92 119.30 117.10 1wki s MET 7 Ca -0.03 0.25 0.00 0.00 -1.25 0.00 0.00 55.69 54.65 1wki s MET 7 Cb 0.08 -3.42 0.00 0.00 2.84 0.00 0.00 34.83 34.33 1wki s MET 7 CO 0.84 0.22 0.00 1.17 -0.65 0.00 0.00 175.02 176.60 1wki n LYS 8 N 3.55 -3.67 -3.19 4.11 4.81 -1.26 -4.97 118.16 117.54 1wki n LYS 8 Ca -0.10 2.89 -0.18 0.00 -0.87 0.00 0.00 58.31 60.05 1wki n LYS 8 Cb 0.52 -3.76 0.01 0.00 0.02 0.00 0.00 35.03 31.81 1wki n LYS 8 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1wki s TYR 9 N -5.00 2.97 -0.13 5.64 5.04 -1.26 -4.95 117.35 119.65 1wki s TYR 9 Ca 0.00 -0.27 -0.29 0.00 -2.44 0.00 0.00 57.07 54.08 1wki s TYR 9 Cb 0.00 -2.22 -0.01 0.00 0.35 0.00 0.00 41.96 40.08 1wki s TYR 9 CO 0.00 -0.26 0.98 1.03 -1.34 0.00 0.00 175.55 175.96 1wki s ARG 10 N -4.30 4.38 -0.02 4.97 0.52 -1.26 -4.61 118.95 118.62 1wki s ARG 10 Ca 0.50 1.32 -0.03 0.00 -0.52 0.00 0.00 55.73 57.01 1wki s ARG 10 Cb -0.10 -3.56 0.01 0.00 0.52 0.00 0.00 34.95 31.82 1wki s ARG 10 CO 0.33 -0.36 0.05 1.63 0.02 0.00 0.00 175.30 176.97 1wki n LYS 11 N 5.22 -5.12 -3.19 3.54 5.02 -1.26 -4.92 118.16 117.45 1wki n LYS 11 Ca 0.08 3.74 -0.40 0.00 -2.02 0.00 0.00 58.31 59.71 1wki n LYS 11 Cb 0.48 -4.83 -0.07 0.00 -0.02 0.00 0.00 35.03 30.59 1wki n LYS 11 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wki s GLN 12 N -0.63 4.11 -0.02 1.97 -0.21 -1.26 -5.05 119.66 118.56 1wki s GLN 12 Ca -0.06 0.43 -0.19 0.00 0.02 0.00 0.00 55.36 55.56 1wki s GLN 12 Cb 0.00 -3.63 -0.05 0.00 1.00 0.00 0.00 33.01 30.33 1wki s GLN 12 CO 0.17 -0.34 0.54 -0.65 -2.12 0.00 0.00 175.29 172.88 1wki s GLN 13 N 2.26 4.25 -0.22 2.91 -0.21 -1.26 -5.06 119.66 122.33 1wki s GLN 13 Ca 0.24 0.62 -0.13 0.00 0.02 0.00 0.00 55.36 56.11 1wki s GLN 13 Cb -0.16 -3.34 -0.05 0.00 1.00 0.00 0.00 33.01 30.47 1wki s GLN 13 CO 0.09 0.39 0.26 1.03 -2.12 0.00 0.00 175.29 174.94 1wki s ARG 14 N -0.22 4.13 0.00 2.91 1.81 -1.26 -5.01 118.95 121.31 1wki s ARG 14 Ca 0.29 -0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.23 1wki s ARG 14 Cb -0.17 -3.53 0.00 0.00 -0.45 0.00 0.00 34.95 30.80 1wki s ARG 14 CO 0.15 0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.22 1wki n GLY 15 N 4.07 3.83 1.47 -3.53 0.00 -1.26 -5.17 105.19 104.59 1wki n GLY 15 Ca -0.12 -1.21 0.13 0.00 0.00 0.00 0.00 46.02 44.82 1wki n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wki n ARG 16 N -1.53 -3.54 -3.01 1.61 1.74 -1.26 -4.77 116.66 105.90 1wki n ARG 16 Ca 0.00 2.85 -0.41 0.00 -0.77 0.00 0.00 57.85 59.53 1wki n ARG 16 Cb 0.00 -3.91 -0.05 0.00 -1.02 0.00 0.00 32.46 27.48 1wki n ARG 16 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1wki s LEU 17 N -6.73 4.14 -0.13 0.55 1.98 -1.26 -4.92 118.68 112.31 1wki s LEU 17 Ca 0.00 0.96 0.15 0.00 -2.89 0.00 0.00 54.13 52.35 1wki s LEU 17 Cb 0.00 -3.04 -0.21 0.00 0.66 0.00 0.00 46.19 43.60 1wki s LEU 17 CO 0.00 -0.36 0.13 2.29 -1.89 0.00 0.00 176.35 176.52 1wki n LYS 18 N 5.32 1.19 -0.32 1.98 2.85 -1.26 -5.06 118.16 122.85 1wki n LYS 18 Ca 0.02 -0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1wki n LYS 18 Cb 0.49 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wki n GLY 19 N 1.90 0.54 3.74 2.58 0.00 -1.26 -5.03 105.19 107.66 1wki n GLY 19 Ca -0.21 -0.60 -0.42 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 -1.70 3.79 -0.18 4.61 0.00 -1.26 -4.92 121.76 122.10 1wki s ALA 20 Ca 0.00 1.59 0.15 0.00 0.00 0.00 0.00 51.96 53.70 1wki s ALA 20 Cb 0.00 -3.66 0.44 0.00 0.00 0.00 0.00 23.12 19.90 1wki s ALA 20 CO 0.00 -0.98 1.19 0.25 0.00 0.00 0.00 175.76 176.22 1wki n THR 21 N 2.51 1.65 -4.15 0.00 -2.24 -1.26 -5.06 114.28 105.73 1wki n THR 21 Ca 0.10 -2.89 -0.33 0.00 -2.27 0.00 0.00 64.05 58.65 1wki n THR 21 Cb 0.37 0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 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 -2.63 3.04 0.24 -0.78 2.20 -1.26 -5.11 119.74 115.44 1wki s LYS 22 Ca 0.39 -0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1wki s LYS 22 Cb 0.38 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 1wki s LYS 22 CO -0.07 0.66 0.32 0.41 -0.36 0.00 0.00 175.35 176.31 1wki n GLY 23 N 1.38 2.55 0.00 5.54 0.00 -1.26 -5.16 105.19 108.24 1wki n GLY 23 Ca -0.14 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.40 1.08 2.82 -0.02 0.00 -1.26 -5.13 105.19 102.28 1wki n GLY 24 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1wki n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wki s ASP 25 N 0.91 0.70 -0.01 1.61 1.11 -1.23 -5.02 116.67 114.74 1wki s ASP 25 Ca 0.00 -0.05 -0.00 0.00 0.18 0.00 0.00 52.55 52.68 1wki s ASP 25 Cb 0.00 -0.28 -0.00 0.00 1.07 0.00 0.00 42.92 43.70 1wki s ASP 25 CO 0.00 -0.11 -0.01 0.00 1.18 0.00 0.00 175.17 176.23 1wki n TYR 26 N 4.30 0.00 0.00 4.23 0.18 -1.26 -4.52 117.16 120.08 1wki n TYR 26 Ca -0.23 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.55 1wki n TYR 26 Cb 0.50 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1wki n VAL 27 N -2.92 0.00 0.00 -3.48 0.31 -1.26 -4.62 118.33 106.36 1wki n VAL 27 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1wki n VAL 27 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 -2.01 0.00 -2.50 3.52 0.00 -1.26 -4.70 120.51 113.55 1wki n ALA 28 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1wki n ALA 28 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1wki n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1wki s PHE 29 N 0.00 2.15 0.40 0.00 0.08 -1.26 -5.08 117.98 114.27 1wki s PHE 29 Ca 0.00 -0.78 0.00 0.00 0.12 0.00 0.00 56.93 56.27 1wki s PHE 29 Cb 0.00 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.05 1wki s PHE 29 CO 0.00 0.24 0.00 0.41 -0.10 0.00 0.00 175.22 175.77 1wki n GLY 30 N -0.75 -3.40 0.23 4.36 0.00 -1.26 -4.60 105.19 99.77 1wki n GLY 30 Ca -0.04 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.37 0.35 -2.00 1.61 3.32 -1.19 -3.40 116.42 114.74 1wki h ASP 31 Ca -0.06 -0.10 -0.60 0.00 0.02 0.00 0.00 57.03 56.28 1wki h ASP 31 Cb 0.76 -0.09 -0.12 0.00 0.22 0.00 0.00 39.33 40.09 1wki h ASP 31 CO 0.02 0.58 -0.67 -0.31 -1.72 0.00 0.00 179.24 177.14 1wki s TYR 32 N -4.55 2.45 -0.16 4.55 2.02 -0.91 0.12 117.35 120.87 1wki s TYR 32 Ca -0.06 -0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 56.13 1wki s TYR 32 Cb 0.14 -1.33 0.06 0.00 -0.40 0.00 0.00 41.96 40.43 1wki s TYR 32 CO 0.76 0.58 0.37 0.20 -1.57 0.00 0.00 175.55 175.90 1wki s GLY 33 N -3.63 -0.29 -0.56 0.71 0.00 0.35 -2.65 107.32 101.26 1wki s GLY 33 Ca 0.33 1.42 -0.21 0.00 0.00 0.00 0.00 44.72 46.25 1wki s GLY 33 CO 0.17 1.60 0.77 -2.27 0.00 0.00 0.00 173.10 173.38 1wki s LEU 34 N 1.38 4.72 0.10 0.66 1.98 0.29 -1.87 118.68 125.95 1wki s LEU 34 Ca -0.09 -0.87 -0.10 0.00 -2.89 0.00 0.00 54.13 50.18 1wki s LEU 34 Cb -0.09 -2.52 -0.06 0.00 0.66 0.00 0.00 46.19 44.19 1wki s LEU 34 CO -0.12 -1.10 0.42 0.54 -1.89 0.00 0.00 176.35 174.20 1wki s VAL 35 N 3.20 5.07 -0.43 1.68 0.11 -1.03 -0.04 120.40 128.95 1wki s VAL 35 Ca 0.19 0.45 -0.17 0.00 -2.93 0.00 0.00 61.98 59.52 1wki s VAL 35 Cb -0.18 -3.65 0.03 0.00 -1.53 0.00 0.00 36.38 31.05 1wki s VAL 35 CO 0.13 0.25 0.46 0.00 -3.33 0.00 0.00 175.10 172.60 1wki s ALA 36 N -1.45 3.43 -1.77 1.54 0.00 0.76 -2.19 121.76 122.09 1wki s ALA 36 Ca 0.35 -1.58 0.24 0.00 0.00 0.00 0.00 51.96 50.97 1wki s ALA 36 Cb -0.14 -3.10 1.36 0.00 0.00 0.00 0.00 23.12 21.25 1wki s ALA 36 CO 0.19 -1.65 1.81 1.28 0.00 0.00 0.00 175.76 177.39 1wki n LEU 37 N 5.65 0.00 -3.85 0.00 4.77 0.25 0.12 117.00 123.94 1wki n LEU 37 Ca -0.07 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 1wki n LEU 37 Cb 0.47 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 1wki n LEU 37 CO 0.47 -0.03 -0.11 -1.61 -1.33 0.00 0.00 177.39 174.79 1wki s GLU 38 N -2.23 0.67 0.22 3.23 2.02 -1.23 -4.42 118.70 116.95 1wki s GLU 38 Ca 0.31 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 54.39 1wki s GLU 38 Cb 0.17 0.28 -0.08 0.00 0.10 0.00 0.00 34.13 34.59 1wki s GLU 38 CO 0.32 -0.19 1.10 -1.25 0.02 0.00 0.00 175.26 175.25 1wki s PRO 39 N -2.47 4.62 0.25 0.39 0.04 -1.26 -4.33 135.00 132.24 1wki s PRO 39 Ca -0.06 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 62.51 1wki s PRO 39 Cb -0.02 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.31 1wki s PRO 39 CO -0.03 0.14 0.79 0.00 0.04 0.00 0.00 177.00 177.93 1wki s ALA 40 N -0.60 -1.34 -0.41 8.56 0.00 -1.18 -4.84 121.76 121.95 1wki s ALA 40 Ca 0.47 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 1wki s ALA 40 Cb -0.30 0.79 0.09 0.00 0.00 0.00 0.00 23.12 23.70 1wki s ALA 40 CO 0.37 -1.04 0.22 -1.58 0.00 0.00 0.00 175.76 173.73 1wki s TRP 41 N -3.73 3.44 -0.28 0.00 0.51 -1.26 -1.69 118.94 115.93 1wki s TRP 41 Ca 0.11 -1.97 -0.26 0.00 -2.12 0.00 0.00 56.10 51.87 1wki s TRP 41 Cb -0.05 -3.03 0.00 0.00 -0.81 0.00 0.00 33.47 29.58 1wki s TRP 41 CO 0.06 -0.91 0.91 0.42 -0.51 0.00 0.00 176.95 176.92 1wki s ILE 42 N 1.28 4.72 0.98 2.03 -1.09 -1.07 -4.71 121.20 123.35 1wki s ILE 42 Ca 0.04 1.56 -0.16 0.00 -2.23 0.00 0.00 60.65 59.86 1wki s ILE 42 Cb -0.23 -4.23 0.20 0.00 -1.58 0.00 0.00 42.46 36.62 1wki s ILE 42 CO -0.01 -0.25 1.29 0.42 -1.23 0.00 0.00 174.94 175.16 1wki s THR 43 N 3.14 1.95 0.15 2.92 -4.23 -1.26 -0.16 115.64 118.15 1wki s THR 43 Ca 0.38 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.75 1wki s THR 43 Cb -0.14 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.80 1wki s THR 43 CO 0.11 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 175.89 1wki h ALA 44 N -1.73 0.64 -0.67 3.99 0.00 -1.95 -2.95 119.26 116.59 1wki h ALA 44 Ca -0.45 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1wki h ALA 44 Cb 1.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1wki h ALA 44 CO 0.39 0.25 0.43 1.96 0.00 0.00 0.00 179.25 182.28 1wki h GLN 45 N 0.65 0.89 -0.53 0.00 1.08 -1.93 -1.98 115.11 113.28 1wki h GLN 45 Ca 0.16 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.34 1wki h GLN 45 Cb 0.20 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1wki h GLN 45 CO -0.01 0.60 0.35 1.96 -0.95 0.00 0.00 178.83 180.78 1wki h GLN 46 N 0.90 0.58 -0.00 1.46 4.20 -1.89 2.66 115.11 123.01 1wki h GLN 46 Ca 0.24 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 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 -0.05 0.38 -0.00 0.82 -0.67 0.00 0.00 178.83 179.31 1wki h ILE 47 N 0.59 1.48 0.07 2.54 2.04 -1.27 -2.80 117.51 120.17 1wki h ILE 47 Ca 0.22 -1.42 -0.17 0.00 1.00 0.00 0.00 64.86 64.49 1wki h ILE 47 Cb 0.12 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1wki h ILE 47 CO -0.06 0.37 -0.84 -0.08 0.00 0.00 0.00 178.15 177.54 1wki h GLU 48 N -0.60 0.16 -0.53 2.37 4.57 -1.05 -3.01 114.58 116.49 1wki h GLU 48 Ca -0.00 -0.27 0.09 0.00 -1.18 0.00 0.00 59.36 58.00 1wki h GLU 48 Cb 0.61 0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.22 1wki h GLU 48 CO 0.00 1.13 0.13 0.00 -1.18 0.00 0.00 179.01 179.09 1wki h ALA 49 N -0.07 0.61 -0.51 2.92 0.00 0.45 0.47 119.26 123.14 1wki h ALA 49 Ca -0.18 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1wki h ALA 49 Cb 1.45 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1wki h ALA 49 CO 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 179.25 178.94 1wki h ALA 50 N 1.40 0.69 -0.81 0.00 0.00 -1.53 -2.95 119.26 116.06 1wki h ALA 50 Ca 0.27 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wki h ALA 50 Cb 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1wki h ALA 50 CO -0.33 0.56 0.53 -0.09 0.00 0.00 0.00 179.25 179.92 1wki h ARG 51 N 0.80 1.03 -1.00 0.00 2.43 -1.18 -0.69 114.38 115.77 1wki h ARG 51 Ca 0.14 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1wki h ARG 51 Cb 0.60 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 1wki h ARG 51 CO 0.04 0.68 0.65 0.28 -1.51 0.00 0.00 179.97 180.11 1wki h VAL 52 N 1.06 1.16 -0.24 0.20 2.07 -0.80 0.42 116.25 120.11 1wki h VAL 52 Ca 0.31 -0.43 -0.17 0.00 0.82 0.00 0.00 66.70 67.23 1wki h VAL 52 Cb -0.07 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.50 1wki h VAL 52 CO -0.09 0.23 -0.53 0.00 0.02 0.00 0.00 177.57 177.20 1wki h ALA 53 N 1.43 0.60 0.01 1.67 0.00 -1.21 -2.48 119.26 119.28 1wki h ALA 53 Ca 0.40 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wki h ALA 53 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1wki h ALA 53 CO -0.13 0.68 -0.01 0.52 0.00 0.00 0.00 179.25 180.32 1wki h MET 54 N 0.55 -0.01 -0.96 0.00 2.07 -0.43 -1.43 114.93 114.73 1wki h MET 54 Ca 0.02 0.00 0.08 0.00 -2.07 0.00 0.00 59.70 57.72 1wki h MET 54 Cb 1.11 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 30.77 1wki h MET 54 CO 0.11 0.53 0.62 0.28 1.07 0.00 0.00 176.91 179.52 1wki h VAL 55 N -0.57 1.04 0.00 -2.22 2.07 -0.25 -1.03 116.25 115.30 1wki h VAL 55 Ca -0.00 -0.36 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 1wki h VAL 55 Cb 0.55 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1wki h VAL 55 CO 0.00 0.19 -0.71 0.03 0.02 0.00 0.00 177.57 177.10 1wki h ARG 56 N 1.06 0.00 -0.03 1.57 3.08 -1.47 -3.27 114.38 115.33 1wki h ARG 56 Ca 0.42 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.48 1wki h ARG 56 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1wki h ARG 56 CO -0.18 0.71 -0.02 1.25 -1.07 0.00 0.00 179.97 180.67 1wki h HIS 57 N 0.00 -0.05 -1.57 3.04 2.76 -0.05 -3.40 115.15 115.89 1wki h HIS 57 Ca -0.01 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 57.61 1wki h HIS 57 Cb 1.30 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.28 1wki h HIS 57 CO 0.00 -0.03 1.55 1.19 -1.30 0.00 0.00 177.93 179.34 1wki n PHE 58 N -5.12 1.62 0.09 5.26 3.72 -1.05 -4.81 117.46 117.17 1wki n PHE 58 Ca -0.06 0.06 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 1wki n PHE 58 Cb 0.06 -2.64 0.26 0.00 -0.94 0.00 0.00 39.48 36.22 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 16.11 0.25 -1.03 -1.08 3.08 -1.89 -2.77 114.38 127.06 1wki h ARG 59 Ca -0.30 -0.10 -0.52 0.00 0.07 0.00 0.00 59.98 59.13 1wki h ARG 59 Cb 1.27 -0.01 -0.28 0.00 0.08 0.00 0.00 29.97 31.03 1wki h ARG 59 CO 1.07 0.57 0.66 0.54 -1.07 0.00 0.00 179.97 181.74 1wki n ARG 60 N -4.08 2.26 -1.00 0.04 1.74 -1.26 -5.03 116.66 109.32 1wki n ARG 60 Ca -0.01 -2.82 0.12 0.00 -0.77 0.00 0.00 57.85 54.37 1wki n ARG 60 Cb 0.43 -2.10 -0.07 0.00 -1.02 0.00 0.00 32.46 29.70 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wki n GLY 61 N -0.91 -3.12 0.00 -0.13 0.00 -1.04 -4.97 105.19 95.01 1wki n GLY 61 Ca 0.55 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.64 1.21 3.17 -0.02 0.00 -1.26 -4.61 105.19 100.04 1wki n GLY 62 Ca -0.06 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 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 0.83 0.05 1.61 -2.85 -1.26 -4.89 119.74 111.23 1wki s LYS 63 Ca 0.00 -1.07 0.07 0.00 -1.00 0.00 0.00 55.97 53.97 1wki s LYS 63 Cb 0.00 -0.65 -0.02 0.00 -2.06 0.00 0.00 37.83 35.09 1wki s LYS 63 CO 0.00 0.12 -0.19 0.42 0.10 0.00 0.00 175.35 175.80 1wki s ILE 64 N -1.94 1.52 -0.25 3.79 1.01 -1.26 -3.12 121.20 120.94 1wki s ILE 64 Ca 0.02 -1.17 -0.04 0.00 0.00 0.00 0.00 60.65 59.46 1wki s ILE 64 Cb -0.06 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1wki s ILE 64 CO 0.01 0.13 -0.01 -0.36 0.00 0.00 0.00 174.94 174.71 1wki s PHE 65 N -0.84 3.03 -0.17 3.97 0.08 0.05 -4.98 117.98 119.13 1wki s PHE 65 Ca 0.06 -1.07 -0.08 0.00 0.12 0.00 0.00 56.93 55.96 1wki s PHE 65 Cb -0.09 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 1wki s PHE 65 CO 0.02 -0.59 0.11 0.42 -0.10 0.00 0.00 175.22 175.07 1wki s ILE 66 N 1.45 5.19 -0.09 0.64 -1.09 -1.26 -2.74 121.20 123.31 1wki s ILE 66 Ca 0.04 0.11 0.10 0.00 -2.23 0.00 0.00 60.65 58.66 1wki s ILE 66 Cb -0.16 -3.33 -0.14 0.00 -1.58 0.00 0.00 42.46 37.26 1wki s ILE 66 CO -0.02 0.50 0.07 0.54 -1.23 0.00 0.00 174.94 174.80 1wki n ARG 67 N 3.08 1.97 -2.44 2.79 5.12 -1.25 -5.00 116.66 120.94 1wki n ARG 67 Ca -0.17 -0.02 -0.40 0.00 -1.93 0.00 0.00 57.85 55.32 1wki n ARG 67 Cb 0.53 -1.28 -0.04 0.00 -1.16 0.00 0.00 32.46 30.51 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 -2.34 3.42 0.00 0.55 -4.36 -1.26 -5.05 121.20 112.16 1wki s ILE 68 Ca -0.05 1.42 -0.00 0.00 -0.26 0.00 0.00 60.65 61.76 1wki s ILE 68 Cb 0.04 -3.90 -0.00 0.00 1.25 0.00 0.00 42.46 39.84 1wki s ILE 68 CO 0.45 0.34 -0.00 0.12 0.24 0.00 0.00 174.94 176.08 1wki s PHE 69 N -1.12 0.04 -0.53 1.37 5.36 -1.26 -5.06 117.98 116.78 1wki s PHE 69 Ca 0.45 -0.09 -0.28 0.00 -0.96 0.00 0.00 56.93 56.06 1wki s PHE 69 Cb -0.33 -0.03 -0.00 0.00 -0.34 0.00 0.00 43.02 42.32 1wki s PHE 69 CO 0.42 -0.03 1.62 -1.25 -1.46 0.00 0.00 175.22 174.52 1wki s PRO 70 N -0.25 3.10 -0.06 10.12 0.04 -1.26 -4.19 135.00 142.51 1wki s PRO 70 Ca -0.03 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1wki s PRO 70 Cb -0.02 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 1wki s PRO 70 CO -0.00 -2.16 -0.06 -0.25 0.04 0.00 0.00 177.00 174.57 1wki n ASP 71 N 10.66 3.45 -4.71 6.66 8.00 -0.45 -4.69 116.55 135.46 1wki n ASP 71 Ca 0.17 -0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 1wki n ASP 71 Cb 0.50 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1wki s LYS 72 N -2.12 4.53 0.49 -1.24 2.47 -0.76 -4.85 119.74 118.26 1wki s LYS 72 Ca -0.08 1.52 -0.22 0.00 -1.56 0.00 0.00 55.97 55.63 1wki s LYS 72 Cb 0.02 -3.42 -0.07 0.00 -1.46 0.00 0.00 37.83 32.90 1wki s LYS 72 CO 0.14 -0.09 1.15 -1.25 0.16 0.00 0.00 175.35 175.47 1wki s PRO 73 N 0.95 3.61 -0.27 4.03 0.04 -1.26 -0.19 135.00 141.92 1wki s PRO 73 Ca 0.53 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 1wki s PRO 73 Cb -0.23 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 32.07 1wki s PRO 73 CO 0.29 -0.66 -0.03 -0.47 0.04 0.00 0.00 177.00 176.17 1wki s TYR 74 N -1.62 3.13 -0.10 0.56 6.14 -0.27 -4.79 117.35 120.40 1wki s TYR 74 Ca 0.67 -1.59 0.04 0.00 0.64 0.00 0.00 57.07 56.82 1wki s TYR 74 Cb -0.27 -2.09 -0.01 0.00 0.42 0.00 0.00 41.96 40.02 1wki s TYR 74 CO 0.32 -0.74 -0.22 0.95 0.64 0.00 0.00 175.55 176.50 1wki s THR 75 N 1.32 2.26 -1.15 4.34 -4.23 -1.26 0.37 115.64 117.30 1wki s THR 75 Ca -0.01 -0.96 -0.07 0.00 -1.18 0.00 0.00 61.69 59.47 1wki s THR 75 Cb -0.18 -1.87 0.26 0.00 1.34 0.00 0.00 72.50 72.05 1wki s THR 75 CO -0.03 0.56 1.53 0.29 -0.54 0.00 0.00 174.62 176.43 1wki n LYS 76 N 3.39 4.06 -3.77 3.99 5.02 -1.26 -4.93 118.16 124.66 1wki n LYS 76 Ca -0.19 -4.23 -0.36 0.00 -2.02 0.00 0.00 58.31 51.52 1wki n LYS 76 Cb 0.53 -2.66 -0.11 0.00 -0.02 0.00 0.00 35.03 32.77 1wki n LYS 76 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wki s LYS 77 N -1.49 2.26 0.18 1.97 -0.14 -1.26 -4.96 119.74 116.30 1wki s LYS 77 Ca 0.34 -2.25 -0.03 0.00 -1.36 0.00 0.00 55.97 52.67 1wki s LYS 77 Cb 0.04 -3.62 0.04 0.00 -1.68 0.00 0.00 37.83 32.61 1wki s LYS 77 CO 0.05 -1.12 0.15 -0.35 -0.76 0.00 0.00 175.35 173.32 1wki n PRO 78 N 3.89 -1.46 -3.69 -1.68 -0.04 -1.26 -5.02 135.00 125.75 1wki n PRO 78 Ca 0.04 -0.24 -0.36 0.00 -0.04 0.00 0.00 63.50 62.90 1wki n PRO 78 Cb 0.39 -0.23 -0.07 0.00 -0.04 0.00 0.00 33.50 33.54 1wki n PRO 78 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wki s LEU 79 N 0.00 4.29 -0.15 1.53 1.43 -1.26 -4.79 118.68 119.73 1wki s LEU 79 Ca 0.10 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 1wki s LEU 79 Cb -0.01 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 44.03 1wki s LEU 79 CO 0.08 0.22 0.21 -0.62 0.23 0.00 0.00 176.35 176.47 1wki n GLU 80 N 3.01 -4.77 -3.67 1.70 1.02 -1.26 -4.97 120.64 111.70 1wki n GLU 80 Ca -0.15 3.56 -0.37 0.00 -0.02 0.00 0.00 57.16 60.17 1wki n GLU 80 Cb 0.53 -5.04 -0.12 0.00 -0.02 0.00 0.00 31.44 26.79 1wki n GLU 80 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wki s VAL 81 N -0.65 4.79 0.44 2.62 1.01 -1.26 -5.09 120.40 122.26 1wki s VAL 81 Ca -0.24 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1wki s VAL 81 Cb 0.02 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1wki s VAL 81 CO 0.66 0.28 0.62 -0.13 0.00 0.00 0.00 175.10 176.53 1wki s ARG 82 N 1.68 2.84 -1.46 2.72 0.52 -1.26 -4.47 118.95 119.53 1wki s ARG 82 Ca 0.07 -0.97 -0.05 0.00 -0.52 0.00 0.00 55.73 54.25 1wki s ARG 82 Cb -0.16 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 32.65 1wki s ARG 82 CO 0.07 -0.32 0.71 -0.12 0.02 0.00 0.00 175.30 175.66 1wki n MET 83 N -1.97 -5.38 0.00 3.54 1.56 -1.26 -4.71 117.12 108.90 1wki n MET 83 Ca 0.05 0.86 0.00 0.00 -0.27 0.00 0.00 57.70 58.35 1wki n MET 83 Cb 0.59 -5.69 0.00 0.00 2.15 0.00 0.00 33.22 30.27 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 -1.60 -1.49 0.01 -5.12 0.00 -1.26 -4.66 105.19 91.06 1wki n GLY 84 Ca -0.08 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 43.97 1wki n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wki n LYS 85 N 0.00 0.54 0.00 1.61 4.76 -1.26 -4.78 118.16 119.03 1wki n LYS 85 Ca 0.00 -0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1wki n LYS 85 Cb 0.00 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wki n GLY 86 N 1.31 0.85 0.01 0.72 0.00 -1.26 -4.65 105.19 102.18 1wki n GLY 86 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1wki n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wki n LYS 87 N 0.00 0.00 -0.32 1.61 0.00 -1.26 -5.13 118.16 113.05 1wki n LYS 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1wki n LYS 87 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 88 N -0.73 -0.37 3.11 3.14 0.00 -1.26 -5.13 105.19 103.95 1wki n GLY 88 Ca 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 1.03 -0.18 1.61 3.84 -1.26 -5.15 114.94 114.83 1wki s ASN 89 Ca 0.00 -0.75 -0.07 0.00 0.21 0.00 0.00 52.86 52.26 1wki s ASN 89 Cb 0.00 0.05 -0.04 0.00 -0.55 0.00 0.00 41.25 40.72 1wki s ASN 89 CO 0.00 -0.31 0.04 0.54 -2.79 0.00 0.00 177.10 174.58 1wki s VAL 90 N -2.32 4.58 -0.95 -5.21 0.11 -1.26 -4.18 120.40 111.18 1wki s VAL 90 Ca -0.00 -0.11 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1wki s VAL 90 Cb -0.04 -3.05 0.16 0.00 -1.53 0.00 0.00 36.38 31.93 1wki s VAL 90 CO -0.02 0.47 2.37 -0.62 -3.33 0.00 0.00 175.10 173.97 1wki n GLU 91 N 3.53 3.85 -0.81 1.54 -0.58 0.16 -5.00 120.64 123.34 1wki n GLU 91 Ca -0.17 -3.33 0.11 0.00 -0.42 0.00 0.00 57.16 53.35 1wki n GLU 91 Cb 0.52 -2.41 -0.03 0.00 -0.57 0.00 0.00 31.44 28.96 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 0.88 -1.55 3.82 0.62 0.00 -1.26 -4.60 105.19 103.10 1wki n GLY 92 Ca 0.55 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.27 2.91 0.24 1.61 1.51 -1.26 -1.11 117.35 119.97 1wki s TYR 93 Ca 0.00 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1wki s TYR 93 Cb 0.00 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 1wki s TYR 93 CO 0.00 0.28 0.13 0.14 -1.11 0.00 0.00 175.55 174.99 1wki s VAL 94 N -2.29 0.26 -0.26 0.71 -7.23 0.74 -3.22 120.40 109.10 1wki s VAL 94 Ca 0.39 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1wki s VAL 94 Cb -0.06 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.40 1wki s VAL 94 CO 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 175.00 1wki s ALA 95 N -3.90 2.19 0.20 1.32 0.00 0.78 -1.34 121.76 121.01 1wki s ALA 95 Ca 0.38 -1.63 -0.31 0.00 0.00 0.00 0.00 51.96 50.40 1wki s ALA 95 Cb 0.07 -1.55 -0.11 0.00 0.00 0.00 0.00 23.12 21.53 1wki s ALA 95 CO 0.14 -1.29 1.60 0.08 0.00 0.00 0.00 175.76 176.28 1wki s VAL 96 N 1.28 2.42 0.23 0.00 1.01 -1.26 -2.60 120.40 121.48 1wki s VAL 96 Ca -0.03 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.33 1wki s VAL 96 Cb -0.19 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1wki s VAL 96 CO -0.07 0.03 -0.10 -0.69 0.00 0.00 0.00 175.10 174.26 1wki s VAL 97 N 0.91 1.65 0.16 2.92 1.01 -0.68 -4.98 120.40 121.39 1wki s VAL 97 Ca 0.69 -2.17 0.05 0.00 0.00 0.00 0.00 61.98 60.56 1wki s VAL 97 Cb -0.45 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1wki s VAL 97 CO 0.34 -0.47 -0.11 -0.54 0.00 0.00 0.00 175.10 174.32 1wki s LYS 98 N -3.69 1.14 -0.20 2.72 3.01 -1.26 -3.12 119.74 118.34 1wki s LYS 98 Ca 0.25 -1.49 -0.33 0.00 -1.01 0.00 0.00 55.97 53.39 1wki s LYS 98 Cb 0.01 -0.76 -0.10 0.00 -1.01 0.00 0.00 37.83 35.97 1wki s LYS 98 CO 0.09 0.10 2.05 -2.30 0.51 0.00 0.00 175.35 175.80 1wki n PRO 99 N -0.25 1.80 0.00 -1.68 -0.02 -1.23 -2.10 135.00 131.52 1wki n PRO 99 Ca -0.10 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1wki n PRO 99 Cb 0.61 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 5.35 1.96 3.42 -1.23 0.00 0.32 -4.92 105.19 110.09 1wki n GLY 100 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.87 3.53 -0.57 1.61 6.06 -0.89 -3.49 118.95 124.32 1wki s ARG 101 Ca 0.00 -0.59 -0.28 0.00 -2.50 0.00 0.00 55.73 52.36 1wki s ARG 101 Cb 0.00 -2.85 0.02 0.00 0.06 0.00 0.00 34.95 32.17 1wki s ARG 101 CO 0.00 0.14 1.33 0.08 -2.50 0.00 0.00 175.30 174.35 1wki s VAL 102 N 0.60 3.86 -0.12 7.11 1.01 -1.26 -0.17 120.40 131.43 1wki s VAL 102 Ca -0.04 0.75 0.17 0.00 0.00 0.00 0.00 61.98 62.86 1wki s VAL 102 Cb -0.15 -4.55 -0.14 0.00 0.00 0.00 0.00 36.38 31.54 1wki s VAL 102 CO 0.03 -1.24 0.80 0.23 0.00 0.00 0.00 175.10 174.91 1wki n MET 103 N 8.60 0.62 -4.03 2.72 2.81 0.94 -4.68 117.12 124.10 1wki n MET 103 Ca 0.11 0.21 -0.09 0.00 -1.81 0.00 0.00 57.70 56.12 1wki n MET 103 Cb 0.49 -1.80 -0.09 0.00 -0.71 0.00 0.00 33.22 31.12 1wki n MET 103 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1wki s PHE 104 N -2.92 0.51 -0.30 2.03 0.40 -1.11 -3.84 117.98 112.74 1wki s PHE 104 Ca -0.03 -0.94 -0.10 0.00 -0.60 0.00 0.00 56.93 55.25 1wki s PHE 104 Cb 0.09 -0.27 0.16 0.00 0.51 0.00 0.00 43.02 43.51 1wki s PHE 104 CO 0.81 -0.53 0.83 -1.83 0.70 0.00 0.00 175.22 175.21 1wki s GLU 105 N -3.95 0.41 0.41 0.44 1.03 -1.11 0.11 118.70 116.04 1wki s GLU 105 Ca 0.13 0.91 0.06 0.00 0.03 0.00 0.00 54.97 56.10 1wki s GLU 105 Cb 0.06 0.54 0.01 0.00 -0.80 0.00 0.00 34.13 33.93 1wki s GLU 105 CO -0.05 -0.25 0.58 0.14 -1.33 0.00 0.00 175.26 174.35 1wki s VAL 106 N 2.73 3.39 -0.27 1.83 -7.23 -1.08 -0.77 120.40 119.00 1wki s VAL 106 Ca 0.02 -0.91 -0.24 0.00 -1.81 0.00 0.00 61.98 59.04 1wki s VAL 106 Cb -0.10 -3.18 0.08 0.00 0.56 0.00 0.00 36.38 33.74 1wki s VAL 106 CO -0.18 -0.08 0.76 0.00 -0.31 0.00 0.00 175.10 175.29 1wki s ALA 107 N -2.37 -1.82 0.00 1.32 0.00 -1.18 -0.60 121.76 117.11 1wki s ALA 107 Ca 0.51 2.06 0.00 0.00 0.00 0.00 0.00 51.96 54.54 1wki s ALA 107 Cb -0.10 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1wki s ALA 107 CO 0.34 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1wki n GLY 108 N 2.84 3.10 3.29 0.00 0.00 -1.26 -4.06 105.19 109.10 1wki n GLY 108 Ca -0.15 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 1wki n GLY 108 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wki n VAL 109 N 0.00 0.00 -2.43 1.61 0.24 -1.26 -5.05 118.33 111.44 1wki n VAL 109 Ca 0.00 -0.62 -0.21 0.00 -2.04 0.00 0.00 64.34 61.47 1wki n VAL 109 Cb 0.00 -1.36 0.11 0.00 -1.47 0.00 0.00 33.84 31.13 1wki n VAL 109 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wki n THR 110 N -4.22 0.00 -0.03 3.34 -2.24 -1.26 -4.88 114.28 104.99 1wki n THR 110 Ca 0.14 -1.26 -0.16 0.00 -2.27 0.00 0.00 64.05 60.51 1wki n THR 110 Cb 0.53 -1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 67.60 1wki n THR 110 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wki h GLU 111 N 0.00 0.44 -0.57 -0.78 4.81 -1.98 0.46 114.58 116.97 1wki h GLU 111 Ca -0.30 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.57 1wki h GLU 111 Cb 1.04 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1wki h GLU 111 CO 0.30 1.00 0.36 0.93 -0.73 0.00 0.00 179.01 180.86 1wki h GLU 112 N 0.00 0.76 -0.04 1.92 5.08 -1.98 0.73 114.58 121.06 1wki h GLU 112 Ca -0.03 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.02 1wki h GLU 112 Cb 1.08 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 30.18 1wki h GLU 112 CO 0.09 0.54 -0.96 1.96 -1.00 0.00 0.00 179.01 179.64 1wki h GLN 113 N 0.77 0.70 -0.07 2.33 1.08 -1.96 -2.33 115.11 115.63 1wki h GLN 113 Ca 0.21 -0.70 -0.03 0.00 -1.45 0.00 0.00 58.65 56.68 1wki h GLN 113 Cb -0.04 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1wki h GLN 113 CO -0.04 1.29 -0.06 0.00 -0.95 0.00 0.00 178.83 179.07 1wki h ALA 114 N 0.48 0.11 -0.19 3.87 0.00 -0.70 0.29 119.26 123.12 1wki h ALA 114 Ca -0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wki h ALA 114 Cb 1.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1wki h ALA 114 CO 0.19 -0.10 0.10 0.52 0.00 0.00 0.00 179.25 179.95 1wki h MET 115 N -0.24 0.27 -0.11 0.00 2.86 0.39 0.18 114.93 118.27 1wki h MET 115 Ca 0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1wki h MET 115 Cb 0.55 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1wki h MET 115 CO 0.02 0.28 0.04 1.49 1.06 0.00 0.00 176.91 179.80 1wki h GLU 116 N 0.18 0.17 -0.14 1.72 4.81 -1.47 -1.00 114.58 118.86 1wki h GLU 116 Ca 0.07 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1wki h GLU 116 Cb 0.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1wki h GLU 116 CO -0.01 0.29 0.06 0.00 -0.73 0.00 0.00 179.01 178.62 1wki h ALA 117 N 0.88 0.17 -0.36 2.92 0.00 -0.83 0.22 119.26 122.26 1wki h ALA 117 Ca 0.04 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1wki h ALA 117 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1wki h ALA 117 CO -0.00 -0.38 0.24 -0.07 0.00 0.00 0.00 179.25 179.04 1wki h LEU 118 N 0.14 0.32 -0.11 0.00 4.07 -0.55 -1.63 115.31 117.55 1wki h LEU 118 Ca 0.06 -0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.78 1wki h LEU 118 Cb 0.02 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 41.70 1wki h LEU 118 CO -0.05 0.22 -0.89 0.03 -1.08 0.00 0.00 178.44 176.67 1wki h ARG 119 N 0.37 0.72 -0.68 1.13 3.08 -0.27 -3.12 114.38 115.62 1wki h ARG 119 Ca 0.15 -0.67 0.17 0.00 0.07 0.00 0.00 59.98 59.70 1wki h ARG 119 Cb 0.13 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1wki h ARG 119 CO -0.03 1.26 0.48 0.82 -1.07 0.00 0.00 179.97 181.43 1wki h ILE 120 N 0.46 0.71 0.16 2.04 2.04 0.39 0.10 117.51 123.42 1wki h ILE 120 Ca -0.08 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1wki h ILE 120 Cb 1.53 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1wki h ILE 120 CO 0.18 0.03 -0.08 0.00 0.00 0.00 0.00 178.15 178.27 1wki h ALA 121 N 1.67 -0.22 0.00 1.87 0.00 -1.45 -3.20 119.26 117.93 1wki h ALA 121 Ca 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wki h ALA 121 Cb 1.10 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wki h ALA 121 CO -0.05 -0.34 0.00 0.78 0.00 0.00 0.00 179.25 179.65 1wki h GLY 122 N -0.80 0.00 0.71 0.00 0.00 -1.32 -2.95 103.07 98.71 1wki h GLY 122 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.35 1wki h GLY 122 CO 0.04 0.00 0.20 0.84 0.00 0.00 0.00 176.54 177.62 1wki h HIS 123 N 0.00 0.37 -0.34 5.60 6.17 -0.82 -1.27 115.15 124.87 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 0.24 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.07 1wki h HIS 123 CO 0.00 0.17 0.00 0.36 0.71 0.00 0.00 177.93 179.17 1wki n LYS 124 N -4.94 1.92 -2.46 5.26 0.00 -1.12 -4.92 118.16 111.90 1wki n LYS 124 Ca 0.03 -1.41 -0.30 0.00 -0.00 0.00 0.00 58.31 56.63 1wki n LYS 124 Cb 0.13 -1.35 -0.01 0.00 -0.00 0.00 0.00 35.03 33.80 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 -1.20 3.58 -0.06 -5.58 1.43 -0.48 -4.97 118.68 111.40 1wki s LEU 125 Ca 0.30 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.65 1wki s LEU 125 Cb 0.16 -4.16 0.25 0.00 0.03 0.00 0.00 46.19 42.47 1wki s LEU 125 CO 0.22 -0.61 0.96 -0.81 0.23 0.00 0.00 176.35 176.34 1wki n PRO 126 N -2.03 2.09 -3.88 1.29 -0.05 -1.26 -4.88 135.00 126.29 1wki n PRO 126 Ca 0.03 -0.97 -0.09 0.00 -0.05 0.00 0.00 63.50 62.42 1wki n PRO 126 Cb 0.54 -1.62 -0.05 0.00 -0.05 0.00 0.00 33.50 32.32 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 -1.59 0.02 0.10 0.52 -5.25 -1.26 -4.87 121.20 108.87 1wki s ILE 127 Ca 0.17 -1.13 -0.29 0.00 -0.99 0.00 0.00 60.65 58.41 1wki s ILE 127 Cb 0.12 -1.88 -0.06 0.00 2.95 0.00 0.00 42.46 43.60 1wki s ILE 127 CO 0.06 -0.10 0.92 -0.75 -1.79 0.00 0.00 174.94 173.28 1wki s LYS 128 N -3.94 4.66 0.04 0.37 2.47 -1.26 -4.90 119.74 117.17 1wki s LYS 128 Ca 0.15 1.38 0.03 0.00 -1.56 0.00 0.00 55.97 55.97 1wki s LYS 128 Cb -0.00 -3.37 -0.02 0.00 -1.46 0.00 0.00 37.83 32.97 1wki s LYS 128 CO 0.03 0.23 -0.09 0.95 0.16 0.00 0.00 175.35 176.63 1wki s THR 129 N -0.02 0.63 0.10 3.43 -4.23 -1.26 0.87 115.64 115.17 1wki s THR 129 Ca 0.45 -0.94 0.05 0.00 -1.18 0.00 0.00 61.69 60.07 1wki s THR 129 Cb -0.23 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 1wki s THR 129 CO 0.29 -0.23 -0.12 -1.59 -0.54 0.00 0.00 174.62 172.42 1wki s LYS 130 N -1.28 0.92 0.08 3.99 -2.85 -0.93 -4.96 119.74 114.71 1wki s LYS 130 Ca -0.06 -1.16 -0.25 0.00 -1.00 0.00 0.00 55.97 53.50 1wki s LYS 130 Cb -0.08 -0.73 -0.06 0.00 -2.06 0.00 0.00 37.83 34.90 1wki s LYS 130 CO 0.01 0.13 0.75 0.42 0.10 0.00 0.00 175.35 176.76 1wki s ILE 131 N -2.15 4.62 -0.10 3.79 -1.09 -1.26 -2.48 121.20 122.54 1wki s ILE 131 Ca 0.06 1.62 -0.09 0.00 -2.23 0.00 0.00 60.65 60.00 1wki s ILE 131 Cb -0.05 -4.10 0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1wki s ILE 131 CO 0.02 0.43 0.26 0.68 -1.23 0.00 0.00 174.94 175.10 1wki s VAL 132 N -0.46 -0.00 0.79 2.92 -7.23 -0.78 -4.97 120.40 110.66 1wki s VAL 132 Ca 0.37 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.42 1wki s VAL 132 Cb -0.21 -0.37 0.06 0.00 0.56 0.00 0.00 36.38 36.42 1wki s VAL 132 CO 0.24 0.00 1.10 -0.60 -0.31 0.00 0.00 175.10 175.53 1wki s ARG 133 N 0.15 2.15 -0.92 4.82 3.52 -1.25 0.13 118.95 127.55 1wki s ARG 133 Ca -0.00 0.54 -0.15 0.00 -0.13 0.00 0.00 55.73 55.99 1wki s ARG 133 Cb -0.02 -1.93 -0.27 0.00 -1.56 0.00 0.00 34.95 31.17 1wki s ARG 133 CO 0.00 -1.55 2.23 -2.13 -0.81 0.00 0.00 175.30 173.05 1wki n ARG 134 N -3.37 0.20 -3.07 5.12 0.00 0.32 0.38 116.66 116.23 1wki n ARG 134 Ca 0.07 -0.31 -0.13 0.00 -0.00 0.00 0.00 57.85 57.48 1wki n ARG 134 Cb 0.57 -1.96 0.05 0.00 0.00 0.00 0.00 32.46 31.12 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1wki n ASP 135 N 10.22 -3.46 -4.07 6.15 2.03 -1.26 -5.00 116.55 121.16 1wki n ASP 135 Ca 0.60 -0.38 -0.35 0.00 0.52 0.00 0.00 54.79 55.19 1wki n ASP 135 Cb 0.25 -3.47 -0.12 0.00 -0.72 0.00 0.00 41.12 37.06 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 -3.22 3.32 -0.24 -1.67 0.00 0.16 -5.05 121.76 115.06 1wki s ALA 136 Ca 0.19 -2.95 0.00 0.00 0.00 0.00 0.00 51.96 49.21 1wki s ALA 136 Cb -0.09 -2.42 0.07 0.00 0.00 0.00 0.00 23.12 20.68 1wki s ALA 136 CO 0.47 -1.95 -0.02 0.71 0.00 0.00 0.00 175.76 174.97 1wki s TYR 137 N 0.40 2.26 -0.25 0.00 1.51 -1.26 -3.92 117.35 116.08 1wki s TYR 137 Ca 0.13 -1.72 -0.02 0.00 -1.01 0.00 0.00 57.07 54.45 1wki s TYR 137 Cb -0.22 -1.61 0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1wki s TYR 137 CO -0.04 -0.77 -0.05 0.16 -1.11 0.00 0.00 175.55 173.74 1wki s ASP 138 N 1.44 4.39 -0.49 2.29 1.47 -1.26 -5.06 116.67 119.45 1wki s ASP 138 Ca -0.03 -0.88 -0.27 0.00 1.18 0.00 0.00 52.55 52.54 1wki s ASP 138 Cb -0.19 -1.68 -0.03 0.00 -0.34 0.00 0.00 42.92 40.69 1wki s ASP 138 CO -0.08 -0.14 1.91 -1.61 0.68 0.00 0.00 175.17 175.93 1wki s GLU 139 N 1.33 2.83 -0.48 2.11 2.02 -1.26 -4.93 118.70 120.31 1wki s GLU 139 Ca -0.00 1.02 -0.00 0.00 0.02 0.00 0.00 54.97 56.01 1wki s GLU 139 Cb -0.17 -4.34 0.13 0.00 0.10 0.00 0.00 34.13 29.85 1wki s GLU 139 CO -0.04 -2.47 0.26 0.00 0.02 0.00 0.00 175.26 173.02 1wki s ALA 140 N 8.66 3.26 -2.73 5.21 0.00 -1.26 -5.37 121.76 129.53 1wki s ALA 140 Ca 0.76 -2.90 0.26 0.00 0.00 0.00 0.00 51.96 50.08 1wki s ALA 140 Cb -0.17 -2.36 0.65 0.00 0.00 0.00 0.00 23.12 21.25 1wki s ALA 140 CO 0.26 -1.91 1.52 0.94 0.00 0.00 0.00 175.76 176.57