#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 -0.29 -0.11 -0.89 2.34 -1.26 -5.14 118.68 113.34 1wki s LEU 2 Ca 0.00 0.63 -0.23 0.00 0.06 0.00 0.00 54.13 54.59 1wki s LEU 2 Cb 0.00 0.77 -0.03 0.00 -0.56 0.00 0.00 46.19 46.37 1wki s LEU 2 CO 0.00 -0.23 0.72 -0.04 -1.06 0.00 0.00 176.35 175.73 1wki s MET 3 N 2.35 4.37 0.18 1.48 -1.94 -1.26 -5.01 119.30 119.47 1wki s MET 3 Ca 0.00 0.86 -0.33 0.00 -1.71 0.00 0.00 55.69 54.51 1wki s MET 3 Cb -0.12 -3.50 -0.14 0.00 2.01 0.00 0.00 34.83 33.08 1wki s MET 3 CO -0.09 -0.07 1.45 -2.30 -0.01 0.00 0.00 175.02 174.00 1wki n PRO 4 N 4.31 1.91 -2.71 2.03 -0.02 -1.26 -4.90 135.00 134.36 1wki n PRO 4 Ca -0.00 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1wki n PRO 4 Cb 0.50 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1wki n PRO 4 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1wki s ARG 5 N 0.23 3.18 1.03 -0.52 3.00 -1.26 -4.90 118.95 119.71 1wki s ARG 5 Ca 0.75 -0.62 0.00 0.00 -1.00 0.00 0.00 55.73 54.86 1wki s ARG 5 Cb -0.71 -4.28 0.00 0.00 0.00 0.00 0.00 34.95 29.96 1wki s ARG 5 CO 0.45 -1.98 0.00 0.54 0.00 0.00 0.00 175.30 174.31 1wki n ARG 6 N 8.45 -1.59 -1.85 5.12 1.74 -1.26 -4.62 116.66 122.66 1wki n ARG 6 Ca 0.02 1.05 -0.42 0.00 -0.77 0.00 0.00 57.85 57.72 1wki n ARG 6 Cb 0.47 -1.94 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 1wki n ARG 6 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1wki s MET 7 N -1.23 4.17 -0.30 5.56 -1.94 -1.26 -4.91 119.30 119.39 1wki s MET 7 Ca 0.00 2.41 -0.29 0.00 -1.71 0.00 0.00 55.69 56.11 1wki s MET 7 Cb 0.00 -3.83 -0.02 0.00 2.01 0.00 0.00 34.83 32.99 1wki s MET 7 CO 0.00 -0.83 1.77 0.21 -0.01 0.00 0.00 175.02 176.15 1wki s LYS 8 N 3.43 3.44 0.36 2.03 2.36 -1.26 -4.98 119.74 125.12 1wki s LYS 8 Ca 0.79 1.49 0.08 0.00 -2.55 0.00 0.00 55.97 55.78 1wki s LYS 8 Cb -0.40 -4.17 -0.04 0.00 -1.05 0.00 0.00 37.83 32.17 1wki s LYS 8 CO 0.35 -1.73 0.15 0.71 1.55 0.00 0.00 175.35 176.38 1wki s TYR 9 N 6.51 2.67 -0.28 4.03 1.51 -1.26 -5.11 117.35 125.41 1wki s TYR 9 Ca 0.78 -0.45 -0.13 0.00 -1.01 0.00 0.00 57.07 56.27 1wki s TYR 9 Cb -0.23 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1wki s TYR 9 CO 0.33 0.28 0.27 0.50 -1.11 0.00 0.00 175.55 175.83 1wki s ARG 10 N -3.87 3.92 0.05 -0.62 3.52 -1.26 -4.91 118.95 115.78 1wki s ARG 10 Ca 0.39 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 1wki s ARG 10 Cb -0.01 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1wki s ARG 10 CO 0.23 -0.26 0.00 1.63 -0.81 0.00 0.00 175.30 176.09 1wki n LYS 11 N 5.19 0.00 -1.71 5.12 4.76 -1.26 -5.06 118.16 125.20 1wki n LYS 11 Ca -0.11 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.98 1wki n LYS 11 Cb 0.51 -0.48 0.06 0.00 -1.84 0.00 0.00 35.03 33.28 1wki n LYS 11 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1wki s GLN 12 N -2.00 2.55 0.08 1.97 0.74 -1.26 -5.03 119.66 116.71 1wki s GLN 12 Ca 0.00 1.78 0.04 0.00 0.05 0.00 0.00 55.36 57.22 1wki s GLN 12 Cb 0.00 -1.88 -0.04 0.00 1.10 0.00 0.00 33.01 32.19 1wki s GLN 12 CO 0.00 -1.52 0.04 -1.14 -0.55 0.00 0.00 175.29 172.11 1wki s GLN 13 N -3.67 2.71 -0.67 1.67 0.74 -1.26 -5.06 119.66 114.13 1wki s GLN 13 Ca 0.75 -0.76 -0.27 0.00 0.05 0.00 0.00 55.36 55.14 1wki s GLN 13 Cb -0.29 -2.63 0.01 0.00 1.10 0.00 0.00 33.01 31.19 1wki s GLN 13 CO 0.40 0.56 1.47 0.50 -0.55 0.00 0.00 175.29 177.66 1wki s ARG 14 N -2.30 3.06 0.48 1.67 3.52 -1.26 -4.99 118.95 119.12 1wki s ARG 14 Ca 0.27 0.14 -0.16 0.00 -0.13 0.00 0.00 55.73 55.85 1wki s ARG 14 Cb -0.12 -4.23 -0.08 0.00 -1.56 0.00 0.00 34.95 28.96 1wki s ARG 14 CO 0.20 -2.27 0.94 0.20 -0.81 0.00 0.00 175.30 173.56 1wki s GLY 15 N 5.09 2.10 0.15 8.12 0.00 -1.26 -5.08 107.32 116.43 1wki s GLY 15 Ca 0.48 0.15 -0.03 0.00 0.00 0.00 0.00 44.72 45.32 1wki s GLY 15 CO 0.19 0.42 0.12 -1.60 0.00 0.00 0.00 173.10 172.23 1wki s ARG 16 N -3.90 1.03 -0.17 2.90 3.00 -1.26 -5.17 118.95 115.39 1wki s ARG 16 Ca 0.58 -1.41 -0.12 0.00 -1.00 0.00 0.00 55.73 53.78 1wki s ARG 16 Cb -0.10 0.28 0.05 0.00 0.00 0.00 0.00 34.95 35.18 1wki s ARG 16 CO 0.29 -0.32 0.42 -1.17 0.00 0.00 0.00 175.30 174.52 1wki s LEU 17 N -3.05 0.05 -0.26 -0.88 1.98 -1.26 -5.03 118.68 110.23 1wki s LEU 17 Ca 0.25 0.90 0.09 0.00 -2.89 0.00 0.00 54.13 52.48 1wki s LEU 17 Cb 0.06 1.42 0.64 0.00 0.66 0.00 0.00 46.19 48.97 1wki s LEU 17 CO 0.03 -0.18 1.61 0.29 -1.89 0.00 0.00 176.35 176.22 1wki n LYS 18 N 3.74 3.46 -2.83 1.98 5.02 -1.26 -4.95 118.16 123.32 1wki n LYS 18 Ca -0.19 -2.56 -0.21 0.00 -2.02 0.00 0.00 58.31 53.32 1wki n LYS 18 Cb 0.56 -2.08 0.08 0.00 -0.02 0.00 0.00 35.03 33.57 1wki n LYS 18 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1wki s GLY 19 N -0.73 1.75 0.58 0.72 0.00 -1.26 -5.06 107.32 103.31 1wki s GLY 19 Ca 0.46 -1.96 -0.21 0.00 0.00 0.00 0.00 44.72 43.01 1wki s GLY 19 CO 0.12 -1.45 1.34 0.00 0.00 0.00 0.00 173.10 173.11 1wki n ALA 20 N -2.52 1.47 -0.43 3.20 0.00 -1.26 -4.97 120.51 116.00 1wki n ALA 20 Ca 0.15 0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.40 1wki n ALA 20 Cb 0.61 -2.35 0.27 0.00 0.00 0.00 0.00 19.45 17.98 1wki n ALA 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wki n THR 21 N -1.28 0.00 -4.29 0.00 -2.24 -1.26 -5.04 114.28 100.17 1wki n THR 21 Ca 0.12 -0.38 -0.28 0.00 -2.27 0.00 0.00 64.05 61.24 1wki n THR 21 Cb 0.46 -0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 67.63 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 -4.42 1.93 0.35 -0.78 2.36 -1.26 -5.14 119.74 112.78 1wki s LYS 22 Ca 0.67 -1.21 0.06 0.00 -2.55 0.00 0.00 55.97 52.94 1wki s LYS 22 Cb -0.22 -2.15 -0.02 0.00 -1.05 0.00 0.00 37.83 34.39 1wki s LYS 22 CO 0.64 0.46 0.22 0.41 1.55 0.00 0.00 175.35 178.63 1wki n GLY 23 N 0.45 3.08 3.15 5.54 0.00 -1.26 -5.16 105.19 111.00 1wki n GLY 23 Ca -0.13 -1.97 0.05 0.00 0.00 0.00 0.00 46.02 43.97 1wki n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wki s GLY 24 N -3.31 -0.43 0.71 -0.02 0.00 -1.26 -5.16 107.32 97.84 1wki s GLY 24 Ca 0.31 2.67 -0.15 0.00 0.00 0.00 0.00 44.72 47.55 1wki s GLY 24 CO 0.22 3.87 1.18 0.51 0.00 0.00 0.00 173.10 178.88 1wki s ASP 25 N 2.96 4.45 0.00 1.64 -4.77 -1.26 -4.81 116.67 114.88 1wki s ASP 25 Ca 0.03 2.27 0.00 0.00 -3.30 0.00 0.00 52.55 51.55 1wki s ASP 25 Cb -0.09 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1wki s ASP 25 CO -0.13 -2.08 0.00 0.00 0.70 0.00 0.00 175.17 173.66 1wki n TYR 26 N -2.59 -0.02 0.00 2.11 4.19 -1.26 -5.04 117.16 114.55 1wki n TYR 26 Ca 0.13 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.34 1wki n TYR 26 Cb 0.51 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.34 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1wki n VAL 27 N -0.90 0.00 -1.31 2.97 0.31 -1.26 -1.49 118.33 116.65 1wki n VAL 27 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.49 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 0.00 -3.51 -0.86 3.52 0.00 -1.26 -4.61 120.51 113.79 1wki n ALA 28 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.09 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 -2.76 0.00 3.01 -1.26 -4.71 117.46 107.73 1wki n PHE 29 Ca -0.05 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.17 1wki n PHE 29 Cb 0.64 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.13 1wki n PHE 29 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1wki s GLY 30 N 0.00 1.60 0.38 1.37 0.00 -1.26 -4.93 107.32 104.47 1wki s GLY 30 Ca 0.00 -0.96 0.19 0.00 0.00 0.00 0.00 44.72 43.95 1wki s GLY 30 CO 0.00 -0.74 1.74 -0.55 0.00 0.00 0.00 173.10 173.55 1wki h ASP 31 N 0.18 0.00 -1.45 1.64 3.32 -1.03 -3.42 116.42 115.66 1wki h ASP 31 Ca -0.46 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 55.99 1wki h ASP 31 Cb 1.26 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.70 1wki h ASP 31 CO 0.58 0.36 -0.54 -0.31 -1.72 0.00 0.00 179.24 177.62 1wki s TYR 32 N -3.63 2.45 -0.28 4.55 2.02 -0.48 0.12 117.35 122.11 1wki s TYR 32 Ca -0.00 -0.67 -0.19 0.00 -0.37 0.00 0.00 57.07 55.84 1wki s TYR 32 Cb 0.11 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.90 1wki s TYR 32 CO 0.68 0.28 0.70 0.20 -1.57 0.00 0.00 175.55 175.84 1wki s GLY 33 N -3.83 -0.61 -0.34 0.71 0.00 0.27 -2.80 107.32 100.72 1wki s GLY 33 Ca 0.34 2.30 -0.20 0.00 0.00 0.00 0.00 44.72 47.17 1wki s GLY 33 CO 0.18 2.21 0.60 -2.27 0.00 0.00 0.00 173.10 173.83 1wki s LEU 34 N 1.27 4.23 -0.02 0.66 1.98 0.10 -1.58 118.68 125.32 1wki s LEU 34 Ca -0.07 0.20 -0.00 0.00 -2.89 0.00 0.00 54.13 51.37 1wki s LEU 34 Cb -0.05 -2.74 -0.04 0.00 0.66 0.00 0.00 46.19 44.02 1wki s LEU 34 CO -0.14 -0.53 0.05 0.54 -1.89 0.00 0.00 176.35 174.39 1wki s VAL 35 N 2.60 4.57 -0.40 1.68 0.11 -0.89 -0.60 120.40 127.47 1wki s VAL 35 Ca 0.23 -0.41 -0.18 0.00 -2.93 0.00 0.00 61.98 58.70 1wki s VAL 35 Cb -0.15 -3.05 0.01 0.00 -1.53 0.00 0.00 36.38 31.66 1wki s VAL 35 CO 0.13 0.40 0.47 0.00 -3.33 0.00 0.00 175.10 172.77 1wki s ALA 36 N -1.12 3.43 -2.01 1.54 0.00 0.13 -2.00 121.76 121.73 1wki s ALA 36 Ca 0.21 -1.35 0.21 0.00 0.00 0.00 0.00 51.96 51.02 1wki s ALA 36 Cb -0.12 -3.05 1.21 0.00 0.00 0.00 0.00 23.12 21.17 1wki s ALA 36 CO 0.11 -1.48 1.78 1.28 0.00 0.00 0.00 175.76 177.45 1wki n LEU 37 N 5.68 0.06 -3.82 0.00 4.77 0.17 0.87 117.00 124.73 1wki n LEU 37 Ca -0.06 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1wki n LEU 37 Cb 0.48 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1wki n LEU 37 CO 0.46 0.01 -0.09 -0.70 -1.33 0.00 0.00 177.39 175.74 1wki s GLU 38 N -1.99 0.49 0.14 3.23 2.12 -1.23 -4.47 118.70 116.99 1wki s GLU 38 Ca 0.31 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 1wki s GLU 38 Cb 0.14 0.21 -0.07 0.00 0.26 0.00 0.00 34.13 34.67 1wki s GLU 38 CO 0.24 -0.12 1.24 -1.25 -0.54 0.00 0.00 175.26 174.83 1wki s PRO 39 N -0.98 4.44 0.26 4.30 0.04 -1.26 -4.39 135.00 137.40 1wki s PRO 39 Ca -0.11 1.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.61 1wki s PRO 39 Cb -0.05 -3.27 0.04 0.00 0.04 0.00 0.00 34.50 31.26 1wki s PRO 39 CO 0.02 -0.21 0.82 0.00 0.04 0.00 0.00 177.00 177.67 1wki s ALA 40 N 0.48 -1.28 -0.28 8.56 0.00 -1.16 -4.93 121.76 123.16 1wki s ALA 40 Ca 0.57 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.19 1wki s ALA 40 Cb -0.33 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1wki s ALA 40 CO 0.33 -1.03 0.05 -1.58 0.00 0.00 0.00 175.76 173.53 1wki s TRP 41 N -3.36 3.11 -0.26 0.00 0.51 -1.26 -1.54 118.94 116.14 1wki s TRP 41 Ca 0.13 -0.94 -0.17 0.00 -2.12 0.00 0.00 56.10 53.00 1wki s TRP 41 Cb -0.04 -2.22 -0.03 0.00 -0.81 0.00 0.00 33.47 30.37 1wki s TRP 41 CO 0.06 -0.55 0.48 0.42 -0.51 0.00 0.00 176.95 176.85 1wki s ILE 42 N 1.50 5.10 0.92 2.03 -1.09 -1.09 -4.77 121.20 123.80 1wki s ILE 42 Ca 0.03 0.81 -0.14 0.00 -2.23 0.00 0.00 60.65 59.12 1wki s ILE 42 Cb -0.16 -3.79 0.16 0.00 -1.58 0.00 0.00 42.46 37.08 1wki s ILE 42 CO 0.01 0.12 1.24 0.42 -1.23 0.00 0.00 174.94 175.50 1wki s THR 43 N 2.15 1.97 0.15 2.92 -4.23 -1.26 -0.23 115.64 117.12 1wki s THR 43 Ca 0.20 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.56 1wki s THR 43 Cb -0.16 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.76 1wki s THR 43 CO 0.09 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.89 1wki h ALA 44 N -1.49 0.60 -0.78 3.99 0.00 -1.98 -2.87 119.26 116.73 1wki h ALA 44 Ca -0.46 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wki h ALA 44 Cb 1.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1wki h ALA 44 CO 0.50 0.18 0.49 1.96 0.00 0.00 0.00 179.25 182.37 1wki h GLN 45 N 0.60 1.04 -0.52 0.00 1.08 -1.94 -2.12 115.11 113.25 1wki h GLN 45 Ca 0.16 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1wki h GLN 45 Cb 0.15 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 1wki h GLN 45 CO -0.02 0.71 0.34 1.96 -0.95 0.00 0.00 178.83 180.88 1wki h GLN 46 N 1.06 0.56 0.02 1.46 4.20 -1.88 2.76 115.11 123.29 1wki h GLN 46 Ca 0.28 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 1wki h GLN 46 Cb -0.08 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1wki h GLN 46 CO -0.06 0.37 -0.01 0.82 -0.67 0.00 0.00 178.83 179.29 1wki h ILE 47 N 0.58 1.41 0.07 2.54 2.04 -1.25 -2.64 117.51 120.26 1wki h ILE 47 Ca 0.21 -1.33 -0.16 0.00 1.00 0.00 0.00 64.86 64.58 1wki h ILE 47 Cb 0.12 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1wki h ILE 47 CO -0.05 0.34 -0.81 -0.08 0.00 0.00 0.00 178.15 177.55 1wki h GLU 48 N -0.60 0.15 -0.48 2.37 4.81 -1.08 -3.09 114.58 116.66 1wki h GLU 48 Ca -0.00 -0.26 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1wki h GLU 48 Cb 0.57 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.99 1wki h GLU 48 CO 0.00 1.13 0.15 0.00 -0.73 0.00 0.00 179.01 179.55 1wki h ALA 49 N -0.06 0.57 -0.77 2.92 0.00 0.47 -0.08 119.26 122.32 1wki h ALA 49 Ca -0.18 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1wki h ALA 49 Cb 1.44 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1wki h ALA 49 CO 0.03 -0.25 0.29 0.00 0.00 0.00 0.00 179.25 179.31 1wki h ALA 50 N 1.34 1.05 -0.80 0.00 0.00 -1.49 -2.59 119.26 116.78 1wki h ALA 50 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wki h ALA 50 Cb 0.27 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1wki h ALA 50 CO -0.27 0.66 0.47 -0.09 0.00 0.00 0.00 179.25 180.03 1wki h ARG 51 N 1.13 1.09 -0.53 0.00 2.43 -1.18 -1.93 114.38 115.40 1wki h ARG 51 Ca 0.26 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1wki h ARG 51 Cb 0.24 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1wki h ARG 51 CO -0.02 0.78 0.29 0.28 -1.51 0.00 0.00 179.97 179.80 1wki h VAL 52 N 1.10 1.01 -0.86 0.20 2.07 -0.68 0.44 116.25 119.54 1wki h VAL 52 Ca 0.29 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1wki h VAL 52 Cb -0.02 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1wki h VAL 52 CO -0.05 0.10 0.41 0.00 0.02 0.00 0.00 177.57 178.06 1wki h ALA 53 N 1.26 1.12 -0.05 1.67 0.00 -1.19 -1.35 119.26 120.71 1wki h ALA 53 Ca 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1wki h ALA 53 Cb 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1wki h ALA 53 CO -0.13 0.67 -0.08 0.52 0.00 0.00 0.00 179.25 180.23 1wki h MET 54 N 1.22 0.14 -0.81 0.00 2.07 -0.67 -1.92 114.93 114.96 1wki h MET 54 Ca 0.29 -0.09 0.08 0.00 -2.07 0.00 0.00 59.70 57.92 1wki h MET 54 Cb 0.11 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 29.80 1wki h MET 54 CO -0.04 0.66 0.53 0.28 1.07 0.00 0.00 176.91 179.41 1wki h VAL 55 N -0.36 1.00 0.00 -2.22 2.07 -0.03 -0.50 116.25 116.20 1wki h VAL 55 Ca 0.00 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 1wki h VAL 55 Cb 0.65 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1wki h VAL 55 CO 0.02 0.15 -0.71 0.03 0.02 0.00 0.00 177.57 177.08 1wki h ARG 56 N 0.83 0.00 0.18 1.57 3.08 -1.24 -3.29 114.38 115.51 1wki h ARG 56 Ca 0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 1wki h ARG 56 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1wki h ARG 56 CO -0.14 0.71 -0.09 1.25 -1.07 0.00 0.00 179.97 180.64 1wki h HIS 57 N 0.00 -0.22 -0.25 3.04 2.76 -0.26 -3.38 115.15 116.83 1wki h HIS 57 Ca -0.01 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1wki h HIS 57 Cb 1.30 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 30.33 1wki h HIS 57 CO 0.00 0.00 0.09 1.19 -1.30 0.00 0.00 177.93 177.91 1wki n PHE 58 N -5.12 1.03 0.27 5.26 3.72 -0.92 -4.71 117.46 117.00 1wki n PHE 58 Ca -0.09 -0.06 0.11 0.00 -0.05 0.00 0.00 57.45 57.36 1wki n PHE 58 Cb 0.18 -2.52 0.76 0.00 -0.94 0.00 0.00 39.48 36.96 1wki n PHE 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wki h ARG 59 N 12.30 0.00 -1.02 -1.08 3.08 -1.87 -1.18 114.38 124.61 1wki h ARG 59 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1wki h ARG 59 Cb 1.00 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.78 1wki h ARG 59 CO 1.02 0.02 0.65 0.54 -1.07 0.00 0.00 179.97 181.13 1wki n ARG 60 N -4.17 2.23 -0.85 0.04 1.74 -1.26 -5.02 116.66 109.37 1wki n ARG 60 Ca -0.03 -2.79 0.03 0.00 -0.77 0.00 0.00 57.85 54.29 1wki n ARG 60 Cb 0.10 -2.09 -0.02 0.00 -1.02 0.00 0.00 32.46 29.44 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 -0.92 -3.38 3.64 -0.13 0.00 -0.45 -4.99 105.19 98.98 1wki n GLY 61 Ca 0.55 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.74 -0.16 0.08 -0.02 0.00 -1.26 -4.63 107.32 96.59 1wki s GLY 62 Ca 0.00 2.04 0.06 0.00 0.00 0.00 0.00 44.72 46.81 1wki s GLY 62 CO 0.00 0.70 -0.15 -1.59 0.00 0.00 0.00 173.10 172.06 1wki s LYS 63 N -1.91 0.87 0.02 2.90 -2.85 -1.25 -4.93 119.74 112.59 1wki s LYS 63 Ca 0.11 -1.01 0.06 0.00 -1.00 0.00 0.00 55.97 54.13 1wki s LYS 63 Cb -0.01 -0.90 -0.02 0.00 -2.06 0.00 0.00 37.83 34.84 1wki s LYS 63 CO -0.03 0.20 -0.17 0.42 0.10 0.00 0.00 175.35 175.87 1wki s ILE 64 N -1.35 1.33 -0.31 3.79 1.01 -1.26 -2.96 121.20 121.46 1wki s ILE 64 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1wki s ILE 64 Cb -0.09 -1.15 0.05 0.00 0.01 0.00 0.00 42.46 41.27 1wki s ILE 64 CO 0.03 0.20 0.01 -0.36 0.00 0.00 0.00 174.94 174.82 1wki s PHE 65 N -0.65 3.28 -0.11 3.97 0.08 0.23 -4.96 117.98 119.83 1wki s PHE 65 Ca 0.05 -1.90 -0.10 0.00 0.12 0.00 0.00 56.93 55.11 1wki s PHE 65 Cb -0.07 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.17 1wki s PHE 65 CO 0.01 -0.81 0.21 0.42 -0.10 0.00 0.00 175.22 174.95 1wki s ILE 66 N 1.25 5.38 -0.07 0.64 -1.09 -1.26 -2.48 121.20 123.57 1wki s ILE 66 Ca -0.05 0.37 0.04 0.00 -2.23 0.00 0.00 60.65 58.79 1wki s ILE 66 Cb -0.20 -3.49 -0.07 0.00 -1.58 0.00 0.00 42.46 37.11 1wki s ILE 66 CO -0.01 0.57 -0.00 0.54 -1.23 0.00 0.00 174.94 174.81 1wki n ARG 67 N 2.24 2.18 -1.60 2.79 3.00 -1.19 -5.04 116.66 119.06 1wki n ARG 67 Ca -0.18 0.01 -0.36 0.00 -0.01 0.00 0.00 57.85 57.31 1wki n ARG 67 Cb 0.54 -1.17 0.08 0.00 0.00 0.00 0.00 32.46 31.91 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wki s ILE 68 N -2.16 2.02 -0.17 0.55 -4.36 -1.26 -5.04 121.20 110.78 1wki s ILE 68 Ca -0.05 0.01 -0.15 0.00 -0.26 0.00 0.00 60.65 60.20 1wki s ILE 68 Cb 0.02 -2.87 0.05 0.00 1.25 0.00 0.00 42.46 40.90 1wki s ILE 68 CO 0.25 -0.00 0.45 0.12 0.24 0.00 0.00 174.94 175.99 1wki s PHE 69 N -1.55 -0.52 -0.34 1.37 5.36 -1.26 -5.10 117.98 115.93 1wki s PHE 69 Ca 0.81 1.24 -0.29 0.00 -0.96 0.00 0.00 56.93 57.73 1wki s PHE 69 Cb -0.36 0.19 -0.00 0.00 -0.34 0.00 0.00 43.02 42.51 1wki s PHE 69 CO 0.42 -0.26 1.45 -1.25 -1.46 0.00 0.00 175.22 174.12 1wki s PRO 70 N 0.40 3.68 0.00 10.12 0.04 -1.26 -4.23 135.00 143.75 1wki s PRO 70 Ca -0.01 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1wki s PRO 70 Cb -0.04 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1wki s PRO 70 CO -0.01 -1.43 0.00 -0.25 0.04 0.00 0.00 177.00 175.35 1wki n ASP 71 N 8.56 0.69 -4.69 6.66 8.00 -0.49 -4.71 116.55 130.57 1wki n ASP 71 Ca 0.17 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.25 1wki n ASP 71 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1wki s LYS 72 N -1.74 4.34 1.19 -1.24 2.20 -1.02 -4.79 119.74 118.69 1wki s LYS 72 Ca 0.00 1.79 -0.16 0.00 -0.36 0.00 0.00 55.97 57.23 1wki s LYS 72 Cb 0.00 -3.52 0.23 0.00 -1.51 0.00 0.00 37.83 33.04 1wki s LYS 72 CO 0.00 -0.45 0.57 -2.30 -0.36 0.00 0.00 175.35 172.81 1wki n PRO 73 N 4.99 -2.51 -3.82 4.03 -0.02 -1.26 -1.43 135.00 134.99 1wki n PRO 73 Ca 0.11 -0.72 -0.29 0.00 -2.02 0.00 0.00 63.50 60.59 1wki n PRO 73 Cb 0.45 -1.92 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 1wki n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wki s TYR 74 N -2.28 2.78 -0.11 6.00 6.14 -0.78 -4.63 117.35 124.46 1wki s TYR 74 Ca 0.62 -2.94 0.03 0.00 0.64 0.00 0.00 57.07 55.42 1wki s TYR 74 Cb -0.18 -2.36 0.00 0.00 0.42 0.00 0.00 41.96 39.85 1wki s TYR 74 CO 0.63 -0.70 -0.22 0.95 0.64 0.00 0.00 175.55 176.85 1wki s THR 75 N -0.44 2.17 -0.41 4.34 -4.23 -1.26 -0.38 115.64 115.44 1wki s THR 75 Ca 0.21 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1wki s THR 75 Cb -0.16 -1.85 0.60 0.00 1.34 0.00 0.00 72.50 72.42 1wki s THR 75 CO -0.07 0.55 1.75 0.29 -0.54 0.00 0.00 174.62 176.61 1wki n LYS 76 N 3.68 2.15 -3.89 3.99 4.76 -1.26 -4.84 118.16 122.76 1wki n LYS 76 Ca -0.19 -3.12 -0.30 0.00 -2.87 0.00 0.00 58.31 51.83 1wki n LYS 76 Cb 0.53 -2.06 -0.15 0.00 -1.84 0.00 0.00 35.03 31.51 1wki n LYS 76 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wki s LYS 77 N -3.32 1.34 0.57 1.97 1.02 -1.26 -5.11 119.74 114.93 1wki s LYS 77 Ca 0.53 -1.82 -0.18 0.00 0.02 0.00 0.00 55.97 54.52 1wki s LYS 77 Cb 0.46 -2.78 -0.09 0.00 -0.52 0.00 0.00 37.83 34.90 1wki s LYS 77 CO 0.06 -1.02 0.54 -2.30 -0.92 0.00 0.00 175.35 171.72 1wki n PRO 78 N 4.10 0.53 -3.02 -1.68 -0.02 -1.26 -4.94 135.00 128.71 1wki n PRO 78 Ca 0.03 0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 1wki n PRO 78 Cb 0.39 -1.72 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 1wki n PRO 78 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wki s LEU 79 N 0.64 4.44 0.00 2.45 1.02 -1.26 -4.82 118.68 121.15 1wki s LEU 79 Ca 0.69 1.39 0.00 0.00 0.02 0.00 0.00 54.13 56.23 1wki s LEU 79 Cb -0.45 -3.18 0.00 0.00 0.02 0.00 0.00 46.19 42.59 1wki s LEU 79 CO 0.54 0.03 0.00 -1.84 0.02 0.00 0.00 176.35 175.10 1wki n GLU 80 N 2.82 0.00 -4.75 1.70 0.28 -1.26 -5.12 120.64 114.31 1wki n GLU 80 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.64 1wki n GLU 80 Cb 0.50 -0.01 -0.13 0.00 1.43 0.00 0.00 31.44 33.24 1wki n GLU 80 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1wki s VAL 81 N -1.60 3.26 -0.83 3.84 1.01 -1.26 -5.05 120.40 119.77 1wki s VAL 81 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 1wki s VAL 81 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1wki s VAL 81 CO 0.00 0.55 1.97 0.00 0.00 0.00 0.00 175.10 177.62 1wki s ARG 82 N -0.17 2.50 -0.53 2.72 1.70 -1.26 -4.88 118.95 119.03 1wki s ARG 82 Ca 0.00 -0.03 0.04 0.00 -0.47 0.00 0.00 55.73 55.28 1wki s ARG 82 Cb -0.13 -4.90 0.14 0.00 -0.57 0.00 0.00 34.95 29.49 1wki s ARG 82 CO 0.03 -3.32 0.30 1.41 -1.08 0.00 0.00 175.30 172.64 1wki s MET 83 N 7.16 1.88 0.00 3.89 1.75 -1.26 -5.02 119.30 127.70 1wki s MET 83 Ca 0.71 -2.59 0.00 0.00 -1.25 0.00 0.00 55.69 52.56 1wki s MET 83 Cb -0.08 -3.07 0.00 0.00 2.84 0.00 0.00 34.83 34.52 1wki s MET 83 CO 0.05 -1.16 0.00 0.41 -0.65 0.00 0.00 175.02 173.67 1wki n GLY 84 N 3.01 2.85 0.12 2.11 0.00 -1.26 -4.85 105.19 107.17 1wki n GLY 84 Ca 0.09 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.75 1wki n GLY 84 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wki h LYS 85 N 0.00 0.00 0.00 1.61 1.63 -2.03 -3.44 116.57 114.34 1wki h LYS 85 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1wki h LYS 85 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1wki h LYS 85 CO 0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 1wki n GLY 86 N 1.22 0.03 3.51 5.01 0.00 -1.26 -5.15 105.19 108.55 1wki n GLY 86 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1wki n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wki s LYS 87 N 0.00 0.83 0.00 1.61 2.36 -1.26 -5.19 119.74 118.10 1wki s LYS 87 Ca 0.00 -0.18 0.00 0.00 -2.55 0.00 0.00 55.97 53.24 1wki s LYS 87 Cb 0.00 0.39 0.00 0.00 -1.05 0.00 0.00 37.83 37.17 1wki s LYS 87 CO 0.00 -0.34 0.00 0.41 1.55 0.00 0.00 175.35 176.97 1wki n GLY 88 N 0.04 1.55 3.66 5.54 0.00 -1.26 -5.00 105.19 109.71 1wki n GLY 88 Ca -0.11 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 1wki n GLY 88 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wki n ASN 89 N -0.14 4.03 -4.55 1.61 5.15 -1.26 -4.97 115.26 115.13 1wki n ASN 89 Ca 0.00 0.84 -0.34 0.00 -0.60 0.00 0.00 54.58 54.48 1wki n ASN 89 Cb 0.00 -1.52 -0.12 0.00 -0.53 0.00 0.00 39.78 37.62 1wki n ASN 89 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wki s VAL 90 N 4.83 3.70 -0.93 3.44 0.11 -1.26 -4.86 120.40 125.43 1wki s VAL 90 Ca 0.91 -0.46 -0.06 0.00 -2.93 0.00 0.00 61.98 59.43 1wki s VAL 90 Cb -0.45 -2.54 0.01 0.00 -1.53 0.00 0.00 36.38 31.87 1wki s VAL 90 CO 0.42 0.57 2.79 -0.62 -3.33 0.00 0.00 175.10 174.93 1wki n GLU 91 N 2.60 3.42 -0.03 1.54 -0.58 0.49 -4.95 120.64 123.14 1wki n GLU 91 Ca -0.18 -2.55 0.00 0.00 -0.42 0.00 0.00 57.16 54.02 1wki n GLU 91 Cb 0.53 -2.43 -0.00 0.00 -0.57 0.00 0.00 31.44 28.97 1wki n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wki n GLY 92 N 1.93 -1.28 3.76 0.62 0.00 -1.26 -4.53 105.19 104.42 1wki n GLY 92 Ca 0.59 -1.12 -0.24 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 -0.05 3.00 0.28 1.61 1.51 -1.26 -1.87 117.35 120.57 1wki s TYR 93 Ca 0.00 -0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1wki s TYR 93 Cb 0.00 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1wki s TYR 93 CO 0.00 0.54 0.37 0.14 -1.11 0.00 0.00 175.55 175.49 1wki s VAL 94 N -1.97 0.00 -0.32 0.71 -7.23 -0.51 -4.02 120.40 107.06 1wki s VAL 94 Ca 0.31 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 1wki s VAL 94 Cb -0.09 -2.48 0.09 0.00 0.56 0.00 0.00 36.38 34.46 1wki s VAL 94 CO 0.22 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 175.03 1wki s ALA 95 N -3.60 2.67 0.21 1.32 0.00 0.68 -1.39 121.76 121.65 1wki s ALA 95 Ca 0.32 -2.25 -0.32 0.00 0.00 0.00 0.00 51.96 49.71 1wki s ALA 95 Cb 0.02 -1.84 -0.12 0.00 0.00 0.00 0.00 23.12 21.18 1wki s ALA 95 CO 0.16 -1.56 1.68 0.28 0.00 0.00 0.00 175.76 176.32 1wki n VAL 96 N 4.36 0.10 -4.36 0.00 0.31 -1.26 -2.69 118.33 114.79 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 -1.89 -0.10 0.00 -0.91 0.00 0.00 33.84 31.36 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 1.01 1.69 0.16 2.52 1.01 -0.59 -4.99 120.40 121.20 1wki s VAL 97 Ca 0.75 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 60.59 1wki s VAL 97 Cb -0.54 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1wki s VAL 97 CO 0.35 -0.53 -0.11 -1.59 0.00 0.00 0.00 175.10 173.22 1wki s LYS 98 N -3.67 1.11 -0.21 2.72 -2.85 -1.26 -3.00 119.74 112.57 1wki s LYS 98 Ca 0.24 -1.48 -0.34 0.00 -1.00 0.00 0.00 55.97 53.40 1wki s LYS 98 Cb 0.00 -0.71 -0.10 0.00 -2.06 0.00 0.00 37.83 34.96 1wki s LYS 98 CO 0.08 0.09 2.05 -2.30 0.10 0.00 0.00 175.35 175.37 1wki n PRO 99 N -0.23 1.73 0.00 1.78 -0.02 -1.22 -2.12 135.00 134.92 1wki n PRO 99 Ca -0.10 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1wki n PRO 99 Cb 0.61 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 5.38 1.82 3.22 -1.23 0.00 0.25 -4.92 105.19 109.71 1wki n GLY 100 Ca 0.30 0.00 -0.35 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 -0.80 2.94 -0.63 1.61 3.00 -0.90 -4.44 118.95 119.73 1wki s ARG 101 Ca 0.00 -0.91 -0.27 0.00 -1.00 0.00 0.00 55.73 53.55 1wki s ARG 101 Cb 0.00 -3.00 0.03 0.00 0.00 0.00 0.00 34.95 31.98 1wki s ARG 101 CO 0.00 -0.37 1.19 0.08 0.00 0.00 0.00 175.30 176.20 1wki s VAL 102 N 1.36 3.97 -0.14 7.11 1.01 -1.26 -0.69 120.40 131.76 1wki s VAL 102 Ca 0.01 0.64 0.19 0.00 0.00 0.00 0.00 61.98 62.82 1wki s VAL 102 Cb -0.16 -4.77 -0.16 0.00 0.00 0.00 0.00 36.38 31.28 1wki s VAL 102 CO -0.04 -1.49 0.70 1.15 0.00 0.00 0.00 175.10 175.42 1wki n MET 103 N 8.62 0.63 -4.37 2.72 0.00 0.23 -4.86 117.12 120.10 1wki n MET 103 Ca 0.06 0.08 -0.21 0.00 0.00 0.00 0.00 57.70 57.63 1wki n MET 103 Cb 0.49 -1.71 -0.11 0.00 0.00 0.00 0.00 33.22 31.89 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 -3.09 1.89 -0.28 3.17 0.40 -1.15 -3.16 117.98 115.77 1wki s PHE 104 Ca -0.04 -0.47 -0.10 0.00 -0.60 0.00 0.00 56.93 55.72 1wki s PHE 104 Cb 0.10 -0.90 0.12 0.00 0.51 0.00 0.00 43.02 42.85 1wki s PHE 104 CO 0.83 0.42 0.60 -1.21 0.70 0.00 0.00 175.22 176.56 1wki s GLU 105 N -3.20 0.53 0.26 0.44 8.01 -1.03 0.03 118.70 123.74 1wki s GLU 105 Ca 0.21 1.35 0.09 0.00 0.01 0.00 0.00 54.97 56.62 1wki s GLU 105 Cb -0.04 0.70 -0.04 0.00 -4.31 0.00 0.00 34.13 30.44 1wki s GLU 105 CO 0.08 -0.21 0.04 0.14 0.01 0.00 0.00 175.26 175.33 1wki s VAL 106 N 2.72 3.70 -0.16 2.63 -7.23 -1.12 0.77 120.40 121.72 1wki s VAL 106 Ca -0.05 -1.78 -0.21 0.00 -1.81 0.00 0.00 61.98 58.13 1wki s VAL 106 Cb -0.11 -2.98 0.05 0.00 0.56 0.00 0.00 36.38 33.90 1wki s VAL 106 CO -0.18 -0.36 0.55 0.00 -0.31 0.00 0.00 175.10 174.81 1wki s ALA 107 N -2.26 -1.39 0.00 1.32 0.00 -1.16 -0.44 121.76 117.84 1wki s ALA 107 Ca 0.32 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1wki s ALA 107 Cb -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1wki s ALA 107 CO 0.21 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1wki n GLY 108 N 2.22 3.03 3.86 0.00 0.00 -1.26 -3.93 105.19 109.10 1wki n GLY 108 Ca -0.16 0.00 -0.31 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 -2.34 4.69 0.91 1.61 -7.23 -1.26 -5.00 120.40 111.77 1wki s VAL 109 Ca 0.00 0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 60.93 1wki s VAL 109 Cb 0.00 -3.69 0.14 0.00 0.56 0.00 0.00 36.38 33.39 1wki s VAL 109 CO 0.00 -0.47 1.09 0.42 -0.31 0.00 0.00 175.10 175.84 1wki s THR 110 N -2.32 2.59 0.29 5.32 -4.23 -1.26 -4.62 115.64 111.41 1wki s THR 110 Ca 0.54 0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 61.23 1wki s THR 110 Cb -0.10 -2.53 0.27 0.00 1.34 0.00 0.00 72.50 71.48 1wki s THR 110 CO 0.27 -0.25 1.93 -0.08 -0.54 0.00 0.00 174.62 175.95 1wki h GLU 111 N -1.67 1.08 -0.26 3.99 4.81 -1.97 0.84 114.58 121.41 1wki h GLU 111 Ca -0.49 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 1wki h GLU 111 Cb 1.28 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1wki h GLU 111 CO 0.51 0.72 0.02 1.49 -0.73 0.00 0.00 179.01 181.02 1wki h GLU 112 N 1.12 0.44 -0.05 1.92 4.81 -1.98 0.41 114.58 121.26 1wki h GLU 112 Ca 0.36 -0.13 -0.23 0.00 -0.13 0.00 0.00 59.36 59.23 1wki h GLU 112 Cb 0.04 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.38 1wki h GLU 112 CO -0.11 0.59 -0.90 1.96 -0.73 0.00 0.00 179.01 179.82 1wki h GLN 113 N 0.24 0.56 -0.05 1.92 1.08 -1.81 -2.37 115.11 114.69 1wki h GLN 113 Ca 0.08 -0.55 -0.04 0.00 -1.45 0.00 0.00 58.65 56.69 1wki h GLN 113 Cb 0.37 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1wki h GLN 113 CO 0.01 1.17 -0.11 0.00 -0.95 0.00 0.00 178.83 178.95 1wki h ALA 114 N 0.65 0.08 -0.48 3.87 0.00 0.73 -0.48 119.26 123.63 1wki h ALA 114 Ca -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1wki h ALA 114 Cb 1.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1wki h ALA 114 CO 0.17 -0.04 0.24 0.52 0.00 0.00 0.00 179.25 180.13 1wki h MET 115 N -0.34 0.69 -0.08 0.00 2.86 -0.27 -0.20 114.93 117.59 1wki h MET 115 Ca 0.00 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1wki h MET 115 Cb 0.69 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1wki h MET 115 CO 0.02 0.58 -0.01 1.49 1.06 0.00 0.00 176.91 180.05 1wki h GLU 116 N 0.64 0.15 -0.27 1.72 4.81 -1.49 -1.94 114.58 118.21 1wki h GLU 116 Ca 0.17 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1wki h GLU 116 Cb 0.11 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1wki h GLU 116 CO -0.02 0.45 0.04 0.00 -0.73 0.00 0.00 179.01 178.74 1wki h ALA 117 N 0.70 0.26 -0.11 2.92 0.00 -0.98 0.17 119.26 122.23 1wki h ALA 117 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wki h ALA 117 Cb 0.39 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wki h ALA 117 CO 0.01 -0.38 0.03 -0.07 0.00 0.00 0.00 179.25 178.84 1wki h LEU 118 N 0.13 0.13 -0.14 0.00 4.07 -1.02 -1.90 115.31 116.58 1wki h LEU 118 Ca 0.12 -0.01 -0.23 0.00 0.08 0.00 0.00 57.88 57.84 1wki h LEU 118 Cb 0.14 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.86 1wki h LEU 118 CO -0.18 0.13 -0.87 -0.09 -1.08 0.00 0.00 178.44 176.36 1wki h ARG 119 N 0.15 0.69 -0.33 1.13 2.43 -0.36 -3.11 114.38 114.99 1wki h ARG 119 Ca 0.04 -0.63 0.04 0.00 -0.81 0.00 0.00 59.98 58.62 1wki h ARG 119 Cb 0.06 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1wki h ARG 119 CO -0.00 1.23 0.10 0.82 -1.51 0.00 0.00 179.97 180.61 1wki h ILE 120 N 0.44 0.89 -0.48 1.20 2.04 0.07 0.33 117.51 122.00 1wki h ILE 120 Ca -0.08 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.77 1wki h ILE 120 Cb 1.50 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1wki h ILE 120 CO 0.17 0.04 0.17 0.00 0.00 0.00 0.00 178.15 178.53 1wki h ALA 121 N 1.22 0.58 0.00 1.87 0.00 -1.51 -1.03 119.26 120.39 1wki h ALA 121 Ca 0.15 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1wki h ALA 121 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wki h ALA 121 CO -0.17 -0.22 -0.27 0.78 0.00 0.00 0.00 179.25 179.37 1wki h GLY 122 N 0.35 0.00 1.30 0.00 0.00 -1.34 -3.04 103.07 100.33 1wki h GLY 122 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1wki h GLY 122 CO -0.23 0.00 0.43 0.45 0.00 0.00 0.00 176.54 177.19 1wki h HIS 123 N 0.00 0.90 -0.01 5.60 -0.00 0.10 -0.73 115.15 121.01 1wki h HIS 123 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1wki h HIS 123 Cb 0.80 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1wki h HIS 123 CO 0.00 0.60 0.00 0.36 -0.00 0.00 0.00 177.93 178.89 1wki n LYS 124 N -4.40 1.56 -2.55 2.45 0.00 -1.11 -4.90 118.16 109.21 1wki n LYS 124 Ca 0.07 -0.82 -0.30 0.00 -0.00 0.00 0.00 58.31 57.27 1wki n LYS 124 Cb 0.06 -1.48 -0.02 0.00 -0.00 0.00 0.00 35.03 33.59 1wki n LYS 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1wki s LEU 125 N -2.00 3.64 -0.08 -5.58 1.43 -0.28 -4.97 118.68 110.83 1wki s LEU 125 Ca 0.39 1.19 0.05 0.00 -1.03 0.00 0.00 54.13 54.74 1wki s LEU 125 Cb 0.21 -4.13 0.30 0.00 0.03 0.00 0.00 46.19 42.60 1wki s LEU 125 CO 0.34 -0.56 0.96 -0.81 0.23 0.00 0.00 176.35 176.51 1wki n PRO 126 N -1.86 2.41 -3.91 1.29 -0.04 -1.26 -4.88 135.00 126.74 1wki n PRO 126 Ca 0.03 -1.14 -0.09 0.00 -0.04 0.00 0.00 63.50 62.25 1wki n PRO 126 Cb 0.54 -1.77 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.64 0.03 0.33 0.52 -5.25 -1.26 -4.95 121.20 108.97 1wki s ILE 127 Ca 0.20 -1.23 -0.27 0.00 -0.99 0.00 0.00 60.65 58.36 1wki s ILE 127 Cb 0.15 -1.90 -0.09 0.00 2.95 0.00 0.00 42.46 43.56 1wki s ILE 127 CO 0.06 -0.14 1.03 -0.54 -1.79 0.00 0.00 174.94 173.56 1wki s LYS 128 N -3.96 4.49 0.01 0.37 1.02 -1.26 -4.89 119.74 115.51 1wki s LYS 128 Ca 0.17 1.55 -0.12 0.00 0.02 0.00 0.00 55.97 57.59 1wki s LYS 128 Cb 0.01 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 1wki s LYS 128 CO 0.03 0.14 0.24 0.95 -0.92 0.00 0.00 175.35 175.79 1wki s THR 129 N -1.44 0.08 0.19 2.17 -4.23 -1.26 0.43 115.64 111.57 1wki s THR 129 Ca 0.50 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1wki s THR 129 Cb -0.25 -0.66 -0.05 0.00 1.34 0.00 0.00 72.50 72.89 1wki s THR 129 CO 0.31 -0.35 0.04 -1.59 -0.54 0.00 0.00 174.62 172.49 1wki s LYS 130 N -1.71 1.15 0.05 3.99 -2.85 -0.85 -4.95 119.74 114.58 1wki s LYS 130 Ca -0.11 -1.58 -0.15 0.00 -1.00 0.00 0.00 55.97 53.13 1wki s LYS 130 Cb -0.05 -0.16 -0.06 0.00 -2.06 0.00 0.00 37.83 35.50 1wki s LYS 130 CO 0.01 -0.20 0.46 0.42 0.10 0.00 0.00 175.35 176.15 1wki s ILE 131 N -3.76 4.95 -0.10 3.79 -1.09 -1.26 -2.09 121.20 121.63 1wki s ILE 131 Ca 0.28 0.87 -0.09 0.00 -2.23 0.00 0.00 60.65 59.48 1wki s ILE 131 Cb 0.07 -3.75 0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1wki s ILE 131 CO 0.06 0.49 0.26 0.68 -1.23 0.00 0.00 174.94 175.20 1wki s VAL 132 N -1.19 -0.00 0.71 2.92 -7.23 -0.62 -4.97 120.40 110.02 1wki s VAL 132 Ca 0.28 0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.35 1wki s VAL 132 Cb -0.17 -0.37 0.02 0.00 0.56 0.00 0.00 36.38 36.43 1wki s VAL 132 CO 0.16 0.00 1.08 -0.60 -0.31 0.00 0.00 175.10 175.44 1wki s ARG 133 N 0.21 2.73 -0.91 4.82 3.52 -1.23 0.95 118.95 129.03 1wki s ARG 133 Ca -0.01 0.34 -0.15 0.00 -0.13 0.00 0.00 55.73 55.79 1wki s ARG 133 Cb -0.02 -2.04 -0.27 0.00 -1.56 0.00 0.00 34.95 31.05 1wki s ARG 133 CO -0.00 -1.08 2.22 0.54 -0.81 0.00 0.00 175.30 176.17 1wki n ARG 134 N -3.00 0.19 -2.76 5.12 1.74 0.33 0.86 116.66 119.14 1wki n ARG 134 Ca 0.07 -0.30 -0.09 0.00 -0.77 0.00 0.00 57.85 56.75 1wki n ARG 134 Cb 0.58 -1.93 0.02 0.00 -1.02 0.00 0.00 32.46 30.11 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 10.05 -3.59 -4.07 0.55 2.03 -0.56 -5.01 116.55 115.95 1wki n ASP 135 Ca 0.60 -0.17 -0.35 0.00 0.52 0.00 0.00 54.79 55.39 1wki n ASP 135 Cb 0.25 -2.32 -0.12 0.00 -0.72 0.00 0.00 41.12 38.21 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 -2.96 3.31 -0.47 -1.67 0.00 0.25 -5.03 121.76 115.19 1wki s ALA 136 Ca 0.18 -2.92 0.03 0.00 0.00 0.00 0.00 51.96 49.24 1wki s ALA 136 Cb -0.08 -2.42 0.13 0.00 0.00 0.00 0.00 23.12 20.76 1wki s ALA 136 CO 0.23 -1.94 0.24 0.71 0.00 0.00 0.00 175.76 175.00 1wki s TYR 137 N 0.44 2.39 -0.08 0.00 1.51 -1.26 -3.57 117.35 116.77 1wki s TYR 137 Ca 0.13 -2.68 -0.23 0.00 -1.01 0.00 0.00 57.07 53.28 1wki s TYR 137 Cb -0.22 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 1wki s TYR 137 CO -0.04 -0.77 0.70 0.16 -1.11 0.00 0.00 175.55 174.50 1wki s ASP 138 N 0.13 6.96 -0.34 2.29 -4.77 -1.26 -4.99 116.67 114.70 1wki s ASP 138 Ca 0.17 1.16 -0.28 0.00 -3.30 0.00 0.00 52.55 50.31 1wki s ASP 138 Cb -0.25 -2.41 -0.04 0.00 -1.09 0.00 0.00 42.92 39.13 1wki s ASP 138 CO 0.00 -0.14 2.09 -1.61 0.70 0.00 0.00 175.17 176.21 1wki s GLU 139 N 0.96 2.96 -0.88 2.11 2.02 -1.26 -4.90 118.70 119.71 1wki s GLU 139 Ca 0.37 1.60 -0.25 0.00 0.02 0.00 0.00 54.97 56.70 1wki s GLU 139 Cb -0.17 -4.36 0.04 0.00 0.10 0.00 0.00 34.13 29.73 1wki s GLU 139 CO 0.17 -2.31 1.40 0.00 0.02 0.00 0.00 175.26 174.55 1wki s ALA 140 N 8.66 2.68 0.00 5.21 0.00 -1.26 -5.37 121.76 131.69 1wki s ALA 140 Ca 0.90 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1wki s ALA 140 Cb -0.25 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.47 1wki s ALA 140 CO 0.32 -3.51 0.00 1.04 0.00 0.00 0.00 175.76 173.60