#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki n LEU 2 N 0.00 0.53 -4.60 4.03 4.77 -1.26 -5.01 117.00 115.46 1wki n LEU 2 Ca 0.00 0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.67 1wki n LEU 2 Cb 0.00 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1wki n LEU 2 CO 0.00 -0.66 0.82 -0.04 -1.33 0.00 0.00 177.39 176.18 1wki s MET 3 N -1.58 3.78 -0.68 3.23 -1.94 -1.26 -4.96 119.30 115.89 1wki s MET 3 Ca 0.00 0.53 -0.26 0.00 -1.71 0.00 0.00 55.69 54.26 1wki s MET 3 Cb 0.00 -3.84 -0.13 0.00 2.01 0.00 0.00 34.83 32.87 1wki s MET 3 CO 0.00 -1.07 2.45 -2.30 -0.01 0.00 0.00 175.02 174.09 1wki n PRO 4 N 7.04 0.69 -1.05 2.03 -0.02 -1.26 -4.75 135.00 137.68 1wki n PRO 4 Ca 0.08 -0.19 -0.05 0.00 -2.02 0.00 0.00 63.50 61.32 1wki n PRO 4 Cb 0.48 -3.02 0.15 0.00 -0.02 0.00 0.00 33.50 31.10 1wki n PRO 4 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1wki n ARG 5 N 8.65 2.22 -2.85 -0.52 -4.01 -1.26 -4.93 116.66 113.95 1wki n ARG 5 Ca 0.46 -3.53 -0.44 0.00 -1.04 0.00 0.00 57.85 53.30 1wki n ARG 5 Cb 0.41 -1.85 -0.00 0.00 -3.04 0.00 0.00 32.46 27.98 1wki n ARG 5 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1wki s ARG 6 N -3.36 4.06 -0.25 2.89 0.52 -1.26 -4.96 118.95 116.59 1wki s ARG 6 Ca 0.43 -2.42 -0.06 0.00 -0.52 0.00 0.00 55.73 53.16 1wki s ARG 6 Cb 0.39 -5.18 -0.01 0.00 0.52 0.00 0.00 34.95 30.66 1wki s ARG 6 CO -0.03 -1.89 0.04 -1.64 0.02 0.00 0.00 175.30 171.79 1wki s MET 7 N 2.28 3.43 -0.07 3.54 -1.94 -1.26 -5.08 119.30 120.20 1wki s MET 7 Ca 0.45 -0.62 -0.03 0.00 -1.71 0.00 0.00 55.69 53.79 1wki s MET 7 Cb -0.01 -3.24 0.04 0.00 2.01 0.00 0.00 34.83 33.63 1wki s MET 7 CO 0.02 -0.26 0.14 0.21 -0.01 0.00 0.00 175.02 175.12 1wki s LYS 8 N 1.54 0.07 0.43 2.03 2.36 -1.26 -5.16 119.74 119.75 1wki s LYS 8 Ca 0.05 0.39 0.08 0.00 -2.55 0.00 0.00 55.97 53.94 1wki s LYS 8 Cb -0.15 -0.20 -0.00 0.00 -1.05 0.00 0.00 37.83 36.42 1wki s LYS 8 CO 0.01 -0.19 0.47 -0.47 1.55 0.00 0.00 175.35 176.72 1wki s TYR 9 N 1.37 2.64 0.37 4.03 5.04 -1.26 -5.12 117.35 124.43 1wki s TYR 9 Ca -0.07 -0.48 -0.10 0.00 -2.44 0.00 0.00 57.07 53.97 1wki s TYR 9 Cb -0.12 -2.25 -0.07 0.00 0.35 0.00 0.00 41.96 39.88 1wki s TYR 9 CO -0.06 -0.30 0.73 1.03 -1.34 0.00 0.00 175.55 175.61 1wki s ARG 10 N -4.25 3.79 -0.15 4.97 0.52 -1.26 -5.09 118.95 117.48 1wki s ARG 10 Ca 0.51 0.44 -0.11 0.00 -0.52 0.00 0.00 55.73 56.05 1wki s ARG 10 Cb -0.06 -2.44 0.05 0.00 0.52 0.00 0.00 34.95 33.02 1wki s ARG 10 CO 0.30 0.03 0.38 -1.59 0.02 0.00 0.00 175.30 174.44 1wki s LYS 11 N -3.65 0.40 0.43 3.54 0.00 -1.26 -5.17 119.74 114.03 1wki s LYS 11 Ca 0.51 0.62 -0.04 0.00 0.00 0.00 0.00 55.97 57.06 1wki s LYS 11 Cb -0.10 0.09 -0.04 0.00 0.00 0.00 0.00 37.83 37.78 1wki s LYS 11 CO 0.29 -0.10 0.71 -0.65 0.00 0.00 0.00 175.35 175.59 1wki s GLN 12 N 0.76 3.53 0.18 1.78 -0.21 -1.26 -5.10 119.66 119.35 1wki s GLN 12 Ca -0.05 0.04 0.04 0.00 0.02 0.00 0.00 55.36 55.42 1wki s GLN 12 Cb -0.06 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1wki s GLN 12 CO -0.05 -0.08 0.23 -1.14 -2.12 0.00 0.00 175.29 172.13 1wki s GLN 13 N -4.56 3.19 -0.17 2.91 2.00 -1.26 -5.03 119.66 116.73 1wki s GLN 13 Ca 0.45 -0.78 0.15 0.00 -2.00 0.00 0.00 55.36 53.18 1wki s GLN 13 Cb -0.10 -2.79 0.44 0.00 0.80 0.00 0.00 33.01 31.35 1wki s GLN 13 CO 0.41 0.48 1.19 -2.13 -0.50 0.00 0.00 175.29 174.75 1wki n ARG 14 N -0.70 1.53 -2.21 1.67 0.63 -1.26 -4.95 116.66 111.37 1wki n ARG 14 Ca -0.08 -3.14 0.00 0.00 -0.92 0.00 0.00 57.85 53.71 1wki n ARG 14 Cb 0.55 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 32.14 1wki n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wki n GLY 15 N -0.62 0.71 4.00 5.14 0.00 -1.26 -5.08 105.19 108.08 1wki n GLY 15 Ca 0.19 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 1wki n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki s ARG 16 N -4.42 2.58 -0.32 1.61 1.81 -1.26 -5.12 118.95 113.84 1wki s ARG 16 Ca 0.00 -1.46 0.02 0.00 -1.72 0.00 0.00 55.73 52.57 1wki s ARG 16 Cb 0.00 -2.63 0.16 0.00 -0.45 0.00 0.00 34.95 32.02 1wki s ARG 16 CO 0.00 -0.48 0.40 -1.17 -0.68 0.00 0.00 175.30 173.37 1wki s LEU 17 N -4.43 -0.59 -0.26 2.53 1.98 -1.26 -5.00 118.68 111.65 1wki s LEU 17 Ca 0.55 -0.74 0.12 0.00 -2.89 0.00 0.00 54.13 51.17 1wki s LEU 17 Cb -0.07 0.95 0.63 0.00 0.66 0.00 0.00 46.19 48.36 1wki s LEU 17 CO 0.34 -0.33 1.61 2.29 -1.89 0.00 0.00 176.35 178.37 1wki n LYS 18 N 5.03 3.15 0.00 1.98 2.85 -1.26 -4.86 118.16 125.05 1wki n LYS 18 Ca 0.03 -3.03 0.00 0.00 -1.05 0.00 0.00 58.31 54.26 1wki n LYS 18 Cb 0.48 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 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 -0.43 0.71 3.81 2.58 0.00 -1.26 -5.16 105.19 105.45 1wki n GLY 19 Ca 0.32 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 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 2.72 0.37 4.61 0.00 -1.26 -5.08 121.76 123.12 1wki s ALA 20 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.27 1wki s ALA 20 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1wki s ALA 20 CO 0.00 -0.96 0.11 0.25 0.00 0.00 0.00 175.76 175.16 1wki n THR 21 N -2.42 0.00 -1.43 0.00 -2.24 -1.26 -5.10 114.28 101.82 1wki n THR 21 Ca 0.08 -2.09 0.00 0.00 -2.27 0.00 0.00 64.05 59.77 1wki n THR 21 Cb 0.53 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1wki n THR 21 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1wki n LYS 22 N -0.84 -3.77 0.00 -0.78 3.00 -1.26 -5.00 118.16 109.51 1wki n LYS 22 Ca -0.07 2.93 0.00 0.00 -0.00 0.00 0.00 58.31 61.17 1wki n LYS 22 Cb 0.54 -3.65 0.00 0.00 0.00 0.00 0.00 35.03 31.92 1wki n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 23 N -2.48 1.10 0.00 3.14 0.00 -1.26 -5.07 105.19 100.62 1wki n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 5.00 0.86 0.00 -0.02 0.00 -1.26 -5.07 105.19 104.70 1wki n GLY 24 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -1.97 1.61 9.92 -1.26 -5.02 116.55 119.83 1wki n ASP 25 Ca 0.00 0.76 0.00 0.00 -0.53 0.00 0.00 54.79 55.02 1wki n ASP 25 Cb 0.00 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 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 -1.32 -4.59 -0.90 1.24 4.19 -1.26 -4.73 117.16 109.79 1wki n TYR 26 Ca 0.00 2.77 -0.35 0.00 3.31 0.00 0.00 57.90 63.63 1wki n TYR 26 Cb 0.00 -3.59 -0.05 0.00 0.49 0.00 0.00 39.34 36.19 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 1.75 0.00 -2.82 2.97 0.31 -1.26 -4.80 118.33 114.48 1wki n VAL 27 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1wki n VAL 27 Cb 0.00 -0.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.64 1wki n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wki s ALA 28 N 1.53 3.11 0.51 3.52 0.00 -1.26 -4.86 121.76 124.32 1wki s ALA 28 Ca 0.54 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1wki s ALA 28 Cb -0.77 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 18.32 1wki s ALA 28 CO 0.42 -2.98 0.00 1.19 0.00 0.00 0.00 175.76 174.39 1wki n PHE 29 N 7.64 -3.74 -1.98 0.00 3.72 -1.26 -4.77 117.46 117.07 1wki n PHE 29 Ca 0.10 2.02 0.00 0.00 -0.05 0.00 0.00 57.45 59.52 1wki n PHE 29 Cb 0.47 -3.20 0.00 0.00 -0.94 0.00 0.00 39.48 35.81 1wki n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wki n GLY 30 N -2.34 -1.86 0.06 1.37 0.00 -1.26 -4.69 105.19 96.47 1wki n GLY 30 Ca 0.00 -1.74 -0.06 0.00 0.00 0.00 0.00 46.02 44.22 1wki n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wki n ASP 31 N 0.43 2.58 -4.71 1.61 9.92 -0.21 -4.74 116.55 121.43 1wki n ASP 31 Ca 0.00 -0.02 -0.27 0.00 -0.53 0.00 0.00 54.79 53.97 1wki n ASP 31 Cb 0.00 0.47 -0.08 0.00 -0.64 0.00 0.00 41.12 40.87 1wki n ASP 31 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1wki s TYR 32 N -2.26 2.44 -0.20 1.24 2.02 0.01 0.12 117.35 120.71 1wki s TYR 32 Ca -0.09 -0.67 -0.27 0.00 -0.37 0.00 0.00 57.07 55.66 1wki s TYR 32 Cb 0.04 -1.86 0.10 0.00 -0.40 0.00 0.00 41.96 39.84 1wki s TYR 32 CO 0.39 0.25 0.87 0.20 -1.57 0.00 0.00 175.55 175.69 1wki s GLY 33 N -3.85 -0.36 -0.40 0.71 0.00 0.29 -2.27 107.32 101.44 1wki s GLY 33 Ca 0.35 2.09 -0.14 0.00 0.00 0.00 0.00 44.72 47.01 1wki s GLY 33 CO 0.19 1.45 0.29 -2.27 0.00 0.00 0.00 173.10 172.75 1wki s LEU 34 N -0.34 5.00 -0.01 0.66 1.98 0.15 -0.60 118.68 125.51 1wki s LEU 34 Ca -0.02 -0.84 -0.04 0.00 -2.89 0.00 0.00 54.13 50.34 1wki s LEU 34 Cb -0.03 -2.15 -0.04 0.00 0.66 0.00 0.00 46.19 44.63 1wki s LEU 34 CO 0.01 -0.42 0.20 0.54 -1.89 0.00 0.00 176.35 174.79 1wki s VAL 35 N 1.68 5.41 -0.37 1.68 0.11 -0.88 0.15 120.40 128.18 1wki s VAL 35 Ca 0.05 -0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 58.86 1wki s VAL 35 Cb -0.19 -3.54 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1wki s VAL 35 CO 0.10 0.34 0.37 0.00 -3.33 0.00 0.00 175.10 172.58 1wki s ALA 36 N -1.31 3.47 -2.05 1.54 0.00 0.03 -2.03 121.76 121.41 1wki s ALA 36 Ca 0.27 -1.37 0.14 0.00 0.00 0.00 0.00 51.96 50.99 1wki s ALA 36 Cb -0.13 -2.89 0.69 0.00 0.00 0.00 0.00 23.12 20.79 1wki s ALA 36 CO 0.18 -1.26 1.46 1.28 0.00 0.00 0.00 175.76 177.41 1wki n LEU 37 N 5.41 0.47 -3.74 0.00 4.77 0.21 0.10 117.00 124.22 1wki n LEU 37 Ca -0.09 -0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 55.55 1wki n LEU 37 Cb 0.48 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1wki n LEU 37 CO 0.42 0.11 0.06 -0.70 -1.33 0.00 0.00 177.39 175.94 1wki s GLU 38 N -1.92 0.54 0.19 3.23 2.12 -1.24 -4.53 118.70 117.10 1wki s GLU 38 Ca 0.21 0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.53 1wki s GLU 38 Cb 0.10 0.25 -0.09 0.00 0.26 0.00 0.00 34.13 34.66 1wki s GLU 38 CO 0.16 -0.11 1.38 -1.25 -0.54 0.00 0.00 175.26 174.91 1wki s PRO 39 N -0.34 4.33 0.30 4.30 0.04 -1.26 -4.48 135.00 137.89 1wki s PRO 39 Ca -0.05 2.15 -0.20 0.00 0.04 0.00 0.00 61.00 62.94 1wki s PRO 39 Cb -0.03 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.35 1wki s PRO 39 CO 0.02 -0.37 0.74 0.00 0.04 0.00 0.00 177.00 177.43 1wki s ALA 40 N 0.40 -1.12 -0.35 8.56 0.00 -1.18 -4.94 121.76 123.13 1wki s ALA 40 Ca 0.60 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 1wki s ALA 40 Cb -0.39 0.81 0.05 0.00 0.00 0.00 0.00 23.12 23.59 1wki s ALA 40 CO 0.37 -1.03 0.13 -1.58 0.00 0.00 0.00 175.76 173.65 1wki s TRP 41 N -3.54 3.30 -0.27 0.00 0.51 -1.26 -1.64 118.94 116.04 1wki s TRP 41 Ca 0.12 -1.57 -0.23 0.00 -2.12 0.00 0.00 56.10 52.29 1wki s TRP 41 Cb -0.06 -2.45 -0.01 0.00 -0.81 0.00 0.00 33.47 30.15 1wki s TRP 41 CO 0.08 -0.78 0.77 0.42 -0.51 0.00 0.00 176.95 176.93 1wki s ILE 42 N 1.37 4.85 0.88 2.03 -1.09 -1.10 -4.75 121.20 123.39 1wki s ILE 42 Ca -0.00 1.33 -0.13 0.00 -2.23 0.00 0.00 60.65 59.61 1wki s ILE 42 Cb -0.20 -4.09 0.13 0.00 -1.58 0.00 0.00 42.46 36.72 1wki s ILE 42 CO 0.02 -0.12 1.21 0.42 -1.23 0.00 0.00 174.94 175.24 1wki s THR 43 N 2.81 1.99 0.20 2.92 -4.23 -1.26 -0.43 115.64 117.64 1wki s THR 43 Ca 0.32 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.72 1wki s THR 43 Cb -0.15 -2.95 0.13 0.00 1.34 0.00 0.00 72.50 70.87 1wki s THR 43 CO 0.09 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.03 1wki h ALA 44 N -1.34 0.88 -0.80 3.99 0.00 -1.98 -2.66 119.26 117.36 1wki h ALA 44 Ca -0.46 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.44 1wki h ALA 44 Cb 1.30 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1wki h ALA 44 CO 0.56 0.33 0.48 1.96 0.00 0.00 0.00 179.25 182.58 1wki h GLN 45 N 0.94 0.87 -0.54 0.00 1.08 -1.94 -1.53 115.11 113.99 1wki h GLN 45 Ca 0.25 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.44 1wki h GLN 45 Cb -0.08 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.13 1wki h GLN 45 CO -0.05 0.57 0.36 1.96 -0.95 0.00 0.00 178.83 180.72 1wki h GLN 46 N 0.89 0.59 0.00 1.46 1.08 -1.84 2.55 115.11 119.84 1wki h GLN 46 Ca 0.35 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1wki h GLN 46 Cb 0.15 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1wki h GLN 46 CO -0.17 0.39 -0.00 0.82 -0.95 0.00 0.00 178.83 178.92 1wki h ILE 47 N 0.60 1.44 0.08 2.54 2.04 -1.24 -2.55 117.51 120.43 1wki h ILE 47 Ca 0.22 -1.32 -0.17 0.00 1.00 0.00 0.00 64.86 64.59 1wki h ILE 47 Cb 0.13 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1wki h ILE 47 CO -0.06 0.34 -0.84 -0.08 0.00 0.00 0.00 178.15 177.52 1wki h GLU 48 N -0.57 0.17 -0.43 2.37 4.81 -1.09 -2.92 114.58 116.92 1wki h GLU 48 Ca -0.00 -0.28 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1wki h GLU 48 Cb 0.57 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 1wki h GLU 48 CO 0.00 1.14 0.14 0.00 -0.73 0.00 0.00 179.01 179.55 1wki h ALA 49 N -0.05 0.50 -0.44 2.92 0.00 0.43 0.22 119.26 122.83 1wki h ALA 49 Ca -0.18 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1wki h ALA 49 Cb 1.47 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1wki h ALA 49 CO 0.04 -0.26 -0.11 0.00 0.00 0.00 0.00 179.25 178.92 1wki h ALA 50 N 1.29 0.61 -0.75 0.00 0.00 -1.48 -2.89 119.26 116.04 1wki h ALA 50 Ca 0.20 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1wki h ALA 50 Cb 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1wki h ALA 50 CO -0.22 0.51 0.49 0.00 0.00 0.00 0.00 179.25 180.03 1wki h ARG 51 N 0.69 0.95 -0.49 0.00 3.08 -1.23 -0.76 114.38 116.62 1wki h ARG 51 Ca 0.11 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1wki h ARG 51 Cb 0.66 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1wki h ARG 51 CO 0.05 0.63 0.28 0.28 -1.07 0.00 0.00 179.97 180.13 1wki h VAL 52 N 0.98 1.02 -0.60 2.04 2.07 -0.86 0.54 116.25 121.43 1wki h VAL 52 Ca 0.29 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 1wki h VAL 52 Cb -0.06 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1wki h VAL 52 CO -0.08 0.10 0.05 0.00 0.02 0.00 0.00 177.57 177.66 1wki h ALA 53 N 1.24 0.97 0.05 1.67 0.00 -1.24 -1.81 119.26 120.14 1wki h ALA 53 Ca 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wki h ALA 53 Cb 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1wki h ALA 53 CO -0.11 0.64 -0.02 0.52 0.00 0.00 0.00 179.25 180.27 1wki h MET 54 N 0.93 -0.07 -0.91 0.00 2.07 -0.57 -1.55 114.93 114.84 1wki h MET 54 Ca 0.18 0.00 0.08 0.00 -2.07 0.00 0.00 59.70 57.89 1wki h MET 54 Cb 0.47 0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 30.15 1wki h MET 54 CO 0.02 0.45 0.59 0.28 1.07 0.00 0.00 176.91 179.32 1wki h VAL 55 N -0.63 1.02 0.00 -2.22 2.07 0.07 -0.83 116.25 115.74 1wki h VAL 55 Ca -0.01 -0.34 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 1wki h VAL 55 Cb 0.55 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1wki h VAL 55 CO 0.01 0.18 -0.71 0.03 0.02 0.00 0.00 177.57 177.10 1wki h ARG 56 N 0.99 0.00 0.36 1.57 3.08 -1.36 -3.29 114.38 115.73 1wki h ARG 56 Ca 0.41 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 1wki h ARG 56 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1wki h ARG 56 CO -0.17 0.71 -0.20 1.25 -1.07 0.00 0.00 179.97 180.49 1wki h HIS 57 N 0.00 -0.53 -2.19 3.04 2.76 -0.08 -3.41 115.15 114.75 1wki h HIS 57 Ca -0.01 -0.01 -0.57 0.00 -2.20 0.00 0.00 60.37 57.59 1wki h HIS 57 Cb 1.29 0.18 0.02 0.00 1.55 0.00 0.00 27.41 30.45 1wki h HIS 57 CO 0.00 -0.32 1.20 1.19 -1.30 0.00 0.00 177.93 178.71 1wki n PHE 58 N -5.33 2.40 0.02 5.26 3.72 -1.03 -4.86 117.46 117.64 1wki n PHE 58 Ca -0.10 -0.22 -0.07 0.00 -0.05 0.00 0.00 57.45 57.01 1wki n PHE 58 Cb 0.24 -2.74 -0.12 0.00 -0.94 0.00 0.00 39.48 35.91 1wki n PHE 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wki h ARG 59 N 10.37 0.00 -1.05 -1.08 3.08 -1.88 -3.33 114.38 120.49 1wki h ARG 59 Ca -0.49 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.09 1wki h ARG 59 Cb 1.25 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 31.05 1wki h ARG 59 CO 0.95 0.64 0.61 0.54 -1.07 0.00 0.00 179.97 181.64 1wki n ARG 60 N -3.14 2.16 -0.71 0.04 1.74 -1.26 -5.02 116.66 110.47 1wki n ARG 60 Ca -0.10 -2.60 0.08 0.00 -0.77 0.00 0.00 57.85 54.46 1wki n ARG 60 Cb 0.98 -2.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 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 -0.78 -3.02 0.00 -0.13 0.00 -1.25 -4.94 105.19 95.06 1wki n GLY 61 Ca 0.51 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.12 1.97 3.06 -0.02 0.00 -1.26 -4.54 105.19 101.28 1wki n GLY 62 Ca -0.05 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 0.55 -0.00 1.61 -2.85 -1.26 -4.93 119.74 110.86 1wki s LYS 63 Ca 0.00 -0.71 0.07 0.00 -1.00 0.00 0.00 55.97 54.33 1wki s LYS 63 Cb 0.00 -0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 35.39 1wki s LYS 63 CO 0.00 0.07 -0.23 0.42 0.10 0.00 0.00 175.35 175.71 1wki s ILE 64 N -1.23 2.32 -0.36 3.79 1.01 -1.26 -3.13 121.20 122.34 1wki s ILE 64 Ca -0.08 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.37 1wki s ILE 64 Cb -0.09 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.55 1wki s ILE 64 CO 0.00 0.51 0.16 -0.36 0.00 0.00 0.00 174.94 175.25 1wki s PHE 65 N -0.71 3.26 -0.17 3.97 0.08 0.30 -4.92 117.98 119.79 1wki s PHE 65 Ca 0.11 -1.28 -0.14 0.00 0.12 0.00 0.00 56.93 55.74 1wki s PHE 65 Cb -0.10 -2.41 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 1wki s PHE 65 CO 0.01 -0.72 0.32 0.42 -0.10 0.00 0.00 175.22 175.15 1wki s ILE 66 N 1.46 5.28 -0.14 0.64 -1.09 -1.26 -2.26 121.20 123.82 1wki s ILE 66 Ca 0.00 0.58 0.13 0.00 -2.23 0.00 0.00 60.65 59.13 1wki s ILE 66 Cb -0.20 -3.65 -0.18 0.00 -1.58 0.00 0.00 42.46 36.85 1wki s ILE 66 CO 0.04 0.35 0.06 -1.14 -1.23 0.00 0.00 174.94 173.02 1wki n ARG 67 N 3.86 1.58 -2.20 2.79 3.00 -1.22 -4.97 116.66 119.48 1wki n ARG 67 Ca -0.11 -0.01 -0.41 0.00 -0.00 0.00 0.00 57.85 57.31 1wki n ARG 67 Cb 0.52 -1.37 -0.03 0.00 0.00 0.00 0.00 32.46 31.57 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 -2.38 3.19 -0.00 5.15 -4.36 -1.26 -5.03 121.20 116.51 1wki s ILE 68 Ca -0.07 0.97 0.01 0.00 -0.26 0.00 0.00 60.65 61.30 1wki s ILE 68 Cb 0.05 -3.62 -0.00 0.00 1.25 0.00 0.00 42.46 40.13 1wki s ILE 68 CO 0.60 0.14 -0.05 -0.36 0.24 0.00 0.00 174.94 175.51 1wki s PHE 69 N 0.21 0.43 0.02 1.37 0.08 -1.26 -5.04 117.98 113.79 1wki s PHE 69 Ca 0.58 -0.08 -0.30 0.00 0.12 0.00 0.00 56.93 57.24 1wki s PHE 69 Cb -0.37 -0.28 -0.05 0.00 -0.57 0.00 0.00 43.02 41.75 1wki s PHE 69 CO 0.38 -0.01 1.27 -1.25 -0.10 0.00 0.00 175.22 175.51 1wki s PRO 70 N -0.11 4.36 0.08 0.24 0.04 -1.26 -4.16 135.00 134.19 1wki s PRO 70 Ca 0.02 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1wki s PRO 70 Cb -0.02 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1wki s PRO 70 CO -0.00 -0.41 0.00 -0.25 0.04 0.00 0.00 177.00 176.38 1wki n ASP 71 N 4.68 -0.42 -4.77 6.66 8.00 -0.35 -4.80 116.55 125.55 1wki n ASP 71 Ca 0.11 0.15 -0.39 0.00 0.71 0.00 0.00 54.79 55.37 1wki n ASP 71 Cb 0.45 0.58 -0.00 0.00 -0.02 0.00 0.00 41.12 42.12 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wki s LYS 72 N -2.00 3.87 0.88 -1.24 -0.14 -1.05 -4.76 119.74 115.30 1wki s LYS 72 Ca 0.00 2.01 -0.11 0.00 -1.36 0.00 0.00 55.97 56.51 1wki s LYS 72 Cb 0.00 -2.62 0.12 0.00 -1.68 0.00 0.00 37.83 33.65 1wki s LYS 72 CO 0.00 -0.53 1.09 -1.25 -0.76 0.00 0.00 175.35 173.90 1wki s PRO 73 N -2.40 1.37 -0.26 -1.68 0.04 -1.26 -1.51 135.00 129.29 1wki s PRO 73 Ca 0.60 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1wki s PRO 73 Cb -0.35 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.46 1wki s PRO 73 CO 0.44 -2.21 0.01 -0.47 0.04 0.00 0.00 177.00 174.81 1wki s TYR 74 N -2.88 2.26 0.03 0.56 6.14 -1.11 -4.71 117.35 117.64 1wki s TYR 74 Ca 0.63 -1.82 0.08 0.00 0.64 0.00 0.00 57.07 56.60 1wki s TYR 74 Cb -0.19 -1.74 -0.03 0.00 0.42 0.00 0.00 41.96 40.43 1wki s TYR 74 CO 0.57 -0.81 -0.24 0.95 0.64 0.00 0.00 175.55 176.67 1wki s THR 75 N 1.43 2.30 0.00 4.34 -4.23 -1.26 -2.18 115.64 116.04 1wki s THR 75 Ca 0.01 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1wki s THR 75 Cb -0.18 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1wki s THR 75 CO -0.11 0.41 0.00 0.29 -0.54 0.00 0.00 174.62 174.67 1wki n LYS 76 N 1.88 3.84 -1.68 3.99 5.02 -1.26 -5.01 118.16 124.94 1wki n LYS 76 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 1wki n LYS 76 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 1wki n LYS 76 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1wki s LYS 77 N 3.29 3.84 -0.33 1.97 0.00 -1.26 -4.87 119.74 122.38 1wki s LYS 77 Ca 0.00 2.40 -0.00 0.00 0.00 0.00 0.00 55.97 58.37 1wki s LYS 77 Cb 0.00 -4.22 0.26 0.00 0.00 0.00 0.00 37.83 33.87 1wki s LYS 77 CO 0.00 -1.30 1.92 -0.35 0.00 0.00 0.00 175.35 175.63 1wki n PRO 78 N 7.89 1.84 -4.07 1.78 -0.04 -1.26 -4.92 135.00 136.21 1wki n PRO 78 Ca 0.23 -1.69 -0.29 0.00 -0.04 0.00 0.00 63.50 61.70 1wki n PRO 78 Cb 0.42 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.95 3.74 -0.30 1.53 1.02 -1.26 -4.83 118.68 116.63 1wki s LEU 79 Ca 0.33 -0.07 -0.00 0.00 0.02 0.00 0.00 54.13 54.41 1wki s LEU 79 Cb 0.26 -2.41 0.00 0.00 0.02 0.00 0.00 46.19 44.06 1wki s LEU 79 CO 0.01 0.15 0.01 1.21 0.02 0.00 0.00 176.35 177.75 1wki n GLU 80 N 0.28 -3.38 -2.91 1.70 2.13 -1.26 -4.95 120.64 112.24 1wki n GLU 80 Ca -0.09 2.72 -0.40 0.00 0.66 0.00 0.00 57.16 60.05 1wki n GLU 80 Cb 0.52 -5.25 -0.05 0.00 0.27 0.00 0.00 31.44 26.94 1wki n GLU 80 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1wki s VAL 81 N -1.64 4.61 -0.15 6.31 -7.23 -1.26 -4.96 120.40 116.09 1wki s VAL 81 Ca 0.01 1.76 0.17 0.00 -1.81 0.00 0.00 61.98 62.11 1wki s VAL 81 Cb -0.00 -4.17 -0.25 0.00 0.56 0.00 0.00 36.38 32.52 1wki s VAL 81 CO 0.76 0.37 0.14 -2.11 -0.31 0.00 0.00 175.10 173.95 1wki n ARG 82 N 2.62 0.89 0.00 4.82 0.00 -1.26 -4.95 116.66 118.78 1wki n ARG 82 Ca -0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1wki n ARG 82 Cb 0.50 -1.48 0.00 0.00 -0.00 0.00 0.00 32.46 31.48 1wki n ARG 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1wki n MET 83 N -2.59 0.00 -1.35 2.89 0.00 -1.26 -5.03 117.12 109.77 1wki n MET 83 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.08 1wki n MET 83 Cb 0.99 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 34.14 1wki n MET 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wki n GLY 84 N -0.91 1.50 0.17 -5.12 0.00 -1.26 -4.58 105.19 95.00 1wki n GLY 84 Ca 0.00 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 9.11 0.00 0.00 1.61 1.63 -1.97 -3.42 116.57 123.52 1wki h LYS 85 Ca 0.30 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 1wki h LYS 85 Cb 0.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1wki h LYS 85 CO 1.68 0.00 -0.12 0.41 -3.45 0.00 0.00 179.45 177.96 1wki n GLY 86 N 1.18 0.00 2.85 5.01 0.00 -1.26 -5.03 105.19 107.94 1wki n GLY 86 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1wki n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wki s LYS 87 N -1.57 1.06 0.00 1.61 1.02 -1.26 -5.10 119.74 115.49 1wki s LYS 87 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 54.54 1wki s LYS 87 Cb 0.00 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 1wki s LYS 87 CO 0.00 -0.97 0.00 0.41 -0.92 0.00 0.00 175.35 173.87 1wki n GLY 88 N 4.54 2.66 3.22 -3.33 0.00 -1.26 -4.72 105.19 106.30 1wki n GLY 88 Ca 0.01 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.52 3.52 0.57 1.61 2.47 -1.26 -5.10 114.94 116.24 1wki s ASN 89 Ca 0.00 -0.53 -0.15 0.00 0.42 0.00 0.00 52.86 52.60 1wki s ASN 89 Cb 0.00 -1.55 -0.05 0.00 -1.45 0.00 0.00 41.25 38.20 1wki s ASN 89 CO 0.00 0.05 1.02 0.54 -3.72 0.00 0.00 177.10 174.98 1wki s VAL 90 N 1.04 4.34 -0.54 -5.21 0.11 -1.26 -4.96 120.40 113.92 1wki s VAL 90 Ca -0.01 1.02 -0.02 0.00 -2.93 0.00 0.00 61.98 60.03 1wki s VAL 90 Cb -0.15 -3.63 0.22 0.00 -1.53 0.00 0.00 36.38 31.29 1wki s VAL 90 CO -0.04 -0.74 2.32 -0.62 -3.33 0.00 0.00 175.10 172.68 1wki n GLU 91 N -2.05 2.39 -0.39 1.54 -0.58 -0.93 -5.01 120.64 115.62 1wki n GLU 91 Ca 0.07 -2.57 0.05 0.00 -0.42 0.00 0.00 57.16 54.29 1wki n GLU 91 Cb 0.54 -2.07 -0.01 0.00 -0.57 0.00 0.00 31.44 29.32 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 0.15 -1.98 3.91 0.62 0.00 -1.26 -4.73 105.19 101.90 1wki n GLY 92 Ca 0.48 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.02 3.07 0.25 1.61 1.51 -1.26 -2.77 117.35 118.74 1wki s TYR 93 Ca 0.00 -0.21 -0.07 0.00 -1.01 0.00 0.00 57.07 55.78 1wki s TYR 93 Cb 0.00 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 1wki s TYR 93 CO 0.00 0.20 0.37 0.14 -1.11 0.00 0.00 175.55 175.15 1wki s VAL 94 N -2.20 0.00 -0.31 0.71 -7.23 -0.57 -3.99 120.40 106.82 1wki s VAL 94 Ca 0.40 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 1wki s VAL 94 Cb -0.08 -2.36 0.08 0.00 0.56 0.00 0.00 36.38 34.58 1wki s VAL 94 CO 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 175.06 1wki s ALA 95 N -3.92 2.72 0.22 1.32 0.00 0.43 -1.21 121.76 121.32 1wki s ALA 95 Ca 0.29 -2.21 -0.32 0.00 0.00 0.00 0.00 51.96 49.73 1wki s ALA 95 Cb 0.02 -1.81 -0.12 0.00 0.00 0.00 0.00 23.12 21.21 1wki s ALA 95 CO 0.12 -1.50 1.67 0.28 0.00 0.00 0.00 175.76 176.33 1wki n VAL 96 N 4.34 0.27 -4.37 0.00 0.31 -1.26 -2.72 118.33 114.89 1wki n VAL 96 Ca -0.03 -0.07 -0.19 0.00 -0.01 0.00 0.00 64.34 64.04 1wki n VAL 96 Cb 0.42 -1.91 -0.10 0.00 -0.91 0.00 0.00 33.84 31.34 1wki n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wki s VAL 97 N 0.83 1.66 0.16 2.52 1.01 -0.65 -4.99 120.40 120.94 1wki s VAL 97 Ca 0.73 -2.17 0.05 0.00 0.00 0.00 0.00 61.98 60.59 1wki s VAL 97 Cb -0.53 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1wki s VAL 97 CO 0.37 -0.48 -0.11 -0.75 0.00 0.00 0.00 175.10 174.14 1wki s LYS 98 N -3.69 1.11 -0.15 2.72 2.47 -1.26 -3.12 119.74 117.82 1wki s LYS 98 Ca 0.25 -1.48 -0.34 0.00 -1.56 0.00 0.00 55.97 52.84 1wki s LYS 98 Cb 0.01 -0.72 -0.11 0.00 -1.46 0.00 0.00 37.83 35.56 1wki s LYS 98 CO 0.09 0.09 1.97 -2.30 0.16 0.00 0.00 175.35 175.36 1wki n PRO 99 N -0.23 1.95 -0.27 4.03 -0.02 -1.22 -2.03 135.00 137.20 1wki n PRO 99 Ca -0.10 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1wki n PRO 99 Cb 0.61 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1wki n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wki n GLY 100 N 4.89 1.70 3.35 -1.23 0.00 0.28 -4.92 105.19 109.25 1wki n GLY 100 Ca 0.26 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.33 3.45 -0.61 1.61 3.00 -0.86 -4.74 118.95 119.46 1wki s ARG 101 Ca 0.00 -0.59 -0.27 0.00 -1.00 0.00 0.00 55.73 53.87 1wki s ARG 101 Cb 0.00 -3.07 0.01 0.00 0.00 0.00 0.00 34.95 31.89 1wki s ARG 101 CO 0.00 -0.18 1.48 0.08 0.00 0.00 0.00 175.30 176.69 1wki s VAL 102 N 1.46 3.67 -0.21 7.11 1.01 -1.26 -0.79 120.40 131.39 1wki s VAL 102 Ca 0.05 0.50 0.20 0.00 0.00 0.00 0.00 61.98 62.73 1wki s VAL 102 Cb -0.14 -4.43 -0.00 0.00 0.00 0.00 0.00 36.38 31.80 1wki s VAL 102 CO -0.02 -1.27 1.08 0.24 0.00 0.00 0.00 175.10 175.13 1wki h MET 103 N 11.68 0.00 -4.69 2.72 0.00 -0.65 -3.44 114.93 120.55 1wki h MET 103 Ca -0.27 0.00 -0.25 0.00 0.00 0.00 0.00 59.70 59.18 1wki h MET 103 Cb 1.10 0.00 -0.15 0.00 0.00 0.00 0.00 31.60 32.55 1wki h MET 103 CO 1.21 0.16 -0.67 -0.06 0.00 0.00 0.00 176.91 177.54 1wki s PHE 104 N -3.15 1.05 -0.30 -0.22 0.40 -1.11 -3.43 117.98 111.22 1wki s PHE 104 Ca 0.00 -1.02 -0.09 0.00 -0.60 0.00 0.00 56.93 55.22 1wki s PHE 104 Cb 0.08 -0.60 0.14 0.00 0.51 0.00 0.00 43.02 43.15 1wki s PHE 104 CO 0.78 -0.24 0.66 -1.21 0.70 0.00 0.00 175.22 175.91 1wki s GLU 105 N -3.91 0.57 0.22 0.44 8.01 -0.96 -0.68 118.70 122.39 1wki s GLU 105 Ca 0.20 1.38 0.08 0.00 0.01 0.00 0.00 54.97 56.64 1wki s GLU 105 Cb 0.06 0.83 -0.04 0.00 -4.31 0.00 0.00 34.13 30.67 1wki s GLU 105 CO 0.01 -0.24 0.04 0.14 0.01 0.00 0.00 175.26 175.22 1wki s VAL 106 N 2.88 3.81 -0.19 2.63 -7.23 -0.96 0.11 120.40 121.44 1wki s VAL 106 Ca -0.03 -1.55 -0.19 0.00 -1.81 0.00 0.00 61.98 58.40 1wki s VAL 106 Cb -0.12 -2.98 0.05 0.00 0.56 0.00 0.00 36.38 33.89 1wki s VAL 106 CO -0.19 -0.24 0.53 0.00 -0.31 0.00 0.00 175.10 174.90 1wki s ALA 107 N -1.99 -1.32 0.00 1.32 0.00 -1.18 -0.81 121.76 117.78 1wki s ALA 107 Ca 0.30 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1wki s ALA 107 Cb -0.08 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1wki s ALA 107 CO 0.20 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1wki n GLY 108 N 2.72 3.13 3.89 0.00 0.00 -1.26 -4.05 105.19 109.62 1wki n GLY 108 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.79 4.86 1.16 1.61 -7.23 -1.26 -4.99 120.40 111.76 1wki s VAL 109 Ca 0.00 0.38 -0.16 0.00 -1.81 0.00 0.00 61.98 60.39 1wki s VAL 109 Cb 0.00 -3.81 0.27 0.00 0.56 0.00 0.00 36.38 33.40 1wki s VAL 109 CO 0.00 -0.70 1.06 0.42 -0.31 0.00 0.00 175.10 175.57 1wki s THR 110 N -2.57 1.77 0.12 5.32 -4.23 -1.26 -4.70 115.64 110.08 1wki s THR 110 Ca 0.49 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.87 1wki s THR 110 Cb -0.10 -2.36 -0.06 0.00 1.34 0.00 0.00 72.50 71.32 1wki s THR 110 CO 0.39 0.00 1.46 -0.08 -0.54 0.00 0.00 174.62 175.85 1wki h GLU 111 N -2.48 0.79 -0.51 3.99 4.81 -1.97 0.24 114.58 119.44 1wki h GLU 111 Ca -0.52 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 58.30 1wki h GLU 111 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1wki h GLU 111 CO 0.45 1.02 0.25 0.93 -0.73 0.00 0.00 179.01 180.93 1wki h GLU 112 N 0.57 0.74 -0.05 1.92 4.39 -1.98 0.68 114.58 120.86 1wki h GLU 112 Ca 0.06 -0.11 -0.24 0.00 0.34 0.00 0.00 59.36 59.41 1wki h GLU 112 Cb 0.84 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1wki h GLU 112 CO 0.07 0.61 -0.94 1.96 -1.16 0.00 0.00 179.01 179.55 1wki h GLN 113 N 0.68 0.66 -0.07 2.33 1.08 -1.92 -2.25 115.11 115.62 1wki h GLN 113 Ca 0.18 -0.65 -0.03 0.00 -1.45 0.00 0.00 58.65 56.70 1wki h GLN 113 Cb 0.11 0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1wki h GLN 113 CO -0.02 1.25 -0.07 0.00 -0.95 0.00 0.00 178.83 179.04 1wki h ALA 114 N 0.54 0.11 -0.40 3.87 0.00 -0.37 0.93 119.26 123.93 1wki h ALA 114 Ca -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1wki h ALA 114 Cb 1.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1wki h ALA 114 CO 0.18 -0.09 0.18 0.52 0.00 0.00 0.00 179.25 180.04 1wki h MET 115 N -0.25 0.59 -0.08 0.00 2.86 0.29 -0.08 114.93 118.25 1wki h MET 115 Ca 0.01 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1wki h MET 115 Cb 0.56 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 1wki h MET 115 CO 0.02 0.53 -0.02 1.49 1.06 0.00 0.00 176.91 179.99 1wki h GLU 116 N 0.51 0.15 -0.27 1.72 4.81 -1.45 -1.94 114.58 118.11 1wki h GLU 116 Ca 0.14 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1wki h GLU 116 Cb 0.14 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1wki h GLU 116 CO -0.02 0.47 0.04 0.00 -0.73 0.00 0.00 179.01 178.77 1wki h ALA 117 N 0.68 0.27 -0.02 2.92 0.00 -0.73 0.15 119.26 122.52 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 0.41 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1wki h ALA 117 CO 0.01 -0.38 -0.04 -0.07 0.00 0.00 0.00 179.25 178.77 1wki h LEU 118 N 0.13 0.03 -0.19 0.00 4.07 -1.01 -1.77 115.31 116.57 1wki h LEU 118 Ca 0.12 -0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.86 1wki h LEU 118 Cb 0.14 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 41.88 1wki h LEU 118 CO -0.18 0.07 -0.87 0.03 -1.08 0.00 0.00 178.44 176.42 1wki h ARG 119 N 0.03 0.57 -0.83 1.13 3.08 -0.32 -3.15 114.38 114.90 1wki h ARG 119 Ca 0.01 -0.54 0.07 0.00 0.07 0.00 0.00 59.98 59.59 1wki h ARG 119 Cb 0.09 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 1wki h ARG 119 CO 0.01 1.16 0.50 0.82 -1.07 0.00 0.00 179.97 181.38 1wki h ILE 120 N 0.36 0.99 -0.44 2.04 2.04 0.14 0.14 117.51 122.78 1wki h ILE 120 Ca -0.07 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1wki h ILE 120 Cb 1.49 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1wki h ILE 120 CO 0.16 0.16 0.18 0.00 0.00 0.00 0.00 178.15 178.66 1wki h ALA 121 N 1.41 0.57 0.00 1.87 0.00 -1.52 -2.64 119.26 118.95 1wki h ALA 121 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1wki h ALA 121 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wki h ALA 121 CO -0.20 0.17 0.00 0.78 0.00 0.00 0.00 179.25 180.01 1wki h GLY 122 N 0.57 0.00 0.93 0.00 0.00 -1.34 -3.22 103.07 100.01 1wki h GLY 122 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.50 1wki h GLY 122 CO -0.01 0.00 0.51 0.45 0.00 0.00 0.00 176.54 177.49 1wki h HIS 123 N 0.00 0.96 -0.30 5.60 -0.00 -0.37 -1.36 115.15 119.68 1wki h HIS 123 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1wki h HIS 123 Cb 0.66 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1wki h HIS 123 CO 0.00 0.57 0.00 0.36 -0.00 0.00 0.00 177.93 178.86 1wki n LYS 124 N -4.58 1.90 -2.74 2.45 0.00 -1.22 -4.92 118.16 109.06 1wki n LYS 124 Ca 0.09 -1.38 -0.31 0.00 -0.00 0.00 0.00 58.31 56.71 1wki n LYS 124 Cb 0.06 -1.37 -0.04 0.00 -0.00 0.00 0.00 35.03 33.69 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 -1.28 3.79 -0.10 -5.58 1.43 -0.51 -4.97 118.68 111.45 1wki s LEU 125 Ca 0.30 1.28 0.05 0.00 -1.03 0.00 0.00 54.13 54.74 1wki s LEU 125 Cb 0.16 -4.17 0.32 0.00 0.03 0.00 0.00 46.19 42.53 1wki s LEU 125 CO 0.23 -0.44 1.03 -0.81 0.23 0.00 0.00 176.35 176.59 1wki n PRO 126 N -1.30 2.42 -3.89 1.29 -0.04 -1.26 -4.88 135.00 127.35 1wki n PRO 126 Ca 0.04 -1.23 -0.09 0.00 -0.04 0.00 0.00 63.50 62.17 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 -1.65 0.02 0.25 0.52 -5.25 -1.26 -4.94 121.20 108.90 1wki s ILE 127 Ca 0.22 -1.15 -0.30 0.00 -0.99 0.00 0.00 60.65 58.43 1wki s ILE 127 Cb 0.17 -1.89 -0.09 0.00 2.95 0.00 0.00 42.46 43.60 1wki s ILE 127 CO 0.06 -0.11 0.99 -0.54 -1.79 0.00 0.00 174.94 173.55 1wki s LYS 128 N -3.95 4.79 0.01 0.37 -0.14 -1.26 -4.94 119.74 114.61 1wki s LYS 128 Ca 0.16 1.59 -0.08 0.00 -1.36 0.00 0.00 55.97 56.28 1wki s LYS 128 Cb -0.00 -3.24 0.00 0.00 -1.68 0.00 0.00 37.83 32.91 1wki s LYS 128 CO 0.03 0.42 0.15 0.95 -0.76 0.00 0.00 175.35 176.13 1wki s THR 129 N -1.18 0.09 0.10 2.17 -4.23 -1.26 0.65 115.64 111.98 1wki s THR 129 Ca 0.42 -0.71 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 1wki s THR 129 Cb -0.28 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 1wki s THR 129 CO 0.35 -0.39 -0.07 -1.59 -0.54 0.00 0.00 174.62 172.38 1wki s LYS 130 N -1.51 0.85 0.05 3.99 -2.85 -0.86 -4.96 119.74 114.45 1wki s LYS 130 Ca -0.14 -1.34 -0.24 0.00 -1.00 0.00 0.00 55.97 53.26 1wki s LYS 130 Cb -0.07 -0.24 -0.06 0.00 -2.06 0.00 0.00 37.83 35.41 1wki s LYS 130 CO 0.01 -0.01 0.74 0.42 0.10 0.00 0.00 175.35 176.61 1wki s ILE 131 N -3.57 4.71 -0.00 3.79 -1.09 -1.26 -2.06 121.20 121.72 1wki s ILE 131 Ca 0.12 1.58 0.00 0.00 -2.23 0.00 0.00 60.65 60.12 1wki s ILE 131 Cb 0.05 -4.09 -0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1wki s ILE 131 CO -0.04 0.40 -0.01 0.68 -1.23 0.00 0.00 174.94 174.73 1wki s VAL 132 N -0.23 0.07 0.53 2.92 -7.23 0.23 -4.96 120.40 111.72 1wki s VAL 132 Ca 0.37 -0.04 -0.02 0.00 -1.81 0.00 0.00 61.98 60.48 1wki s VAL 132 Cb -0.20 -0.07 0.01 0.00 0.56 0.00 0.00 36.38 36.68 1wki s VAL 132 CO 0.22 0.02 0.78 -0.60 -0.31 0.00 0.00 175.10 175.22 1wki s ARG 133 N -0.01 2.88 -0.86 4.82 3.52 -1.18 0.10 118.95 128.22 1wki s ARG 133 Ca 0.00 -0.37 -0.14 0.00 -0.13 0.00 0.00 55.73 55.09 1wki s ARG 133 Cb -0.00 -2.43 -0.25 0.00 -1.56 0.00 0.00 34.95 30.70 1wki s ARG 133 CO -0.00 -0.54 2.13 -2.13 -0.81 0.00 0.00 175.30 173.95 1wki n ARG 134 N -2.33 0.17 -2.13 5.12 0.63 0.32 0.56 116.66 118.99 1wki n ARG 134 Ca 0.04 -0.33 -0.07 0.00 -0.92 0.00 0.00 57.85 56.57 1wki n ARG 134 Cb 0.58 -1.93 -0.00 0.00 0.45 0.00 0.00 32.46 31.56 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1wki n ASP 135 N 9.97 -2.71 -4.07 6.15 2.03 -1.26 -4.99 116.55 121.67 1wki n ASP 135 Ca 0.55 -0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.51 1wki n ASP 135 Cb 0.27 -2.02 -0.12 0.00 -0.72 0.00 0.00 41.12 38.53 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 -2.36 3.29 -0.29 -1.67 0.00 0.19 -5.05 121.76 115.88 1wki s ALA 136 Ca 0.00 -2.91 0.01 0.00 0.00 0.00 0.00 51.96 49.06 1wki s ALA 136 Cb 0.00 -2.40 0.08 0.00 0.00 0.00 0.00 23.12 20.81 1wki s ALA 136 CO 0.00 -1.93 0.03 0.71 0.00 0.00 0.00 175.76 174.57 1wki s TYR 137 N 0.45 2.51 -0.56 0.00 1.51 -1.26 -3.09 117.35 116.91 1wki s TYR 137 Ca 0.13 -2.06 -0.03 0.00 -1.01 0.00 0.00 57.07 54.10 1wki s TYR 137 Cb -0.22 -1.97 0.14 0.00 -0.11 0.00 0.00 41.96 39.80 1wki s TYR 137 CO -0.04 -0.85 0.36 0.34 -1.11 0.00 0.00 175.55 174.26 1wki s ASP 138 N 1.35 5.23 -0.10 2.29 -1.08 -1.26 -5.06 116.67 118.03 1wki s ASP 138 Ca 0.04 -2.60 -0.29 0.00 -0.52 0.00 0.00 52.55 49.18 1wki s ASP 138 Cb -0.18 -1.84 -0.05 0.00 -1.46 0.00 0.00 42.92 39.38 1wki s ASP 138 CO -0.13 -0.42 1.68 -1.61 0.52 0.00 0.00 175.17 175.21 1wki s GLU 139 N 0.31 4.04 -0.57 4.34 2.02 -1.26 -4.96 118.70 122.62 1wki s GLU 139 Ca 0.14 2.07 -0.05 0.00 0.02 0.00 0.00 54.97 57.15 1wki s GLU 139 Cb -0.21 -4.02 0.15 0.00 0.10 0.00 0.00 34.13 30.14 1wki s GLU 139 CO -0.04 -1.02 0.40 0.00 0.02 0.00 0.00 175.26 174.62 1wki s ALA 140 N 4.54 3.49 0.00 5.21 0.00 -1.26 -5.36 121.76 128.38 1wki s ALA 140 Ca 0.75 -2.99 0.00 0.00 0.00 0.00 0.00 51.96 49.72 1wki s ALA 140 Cb -0.32 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1wki s ALA 140 CO 0.30 -2.02 0.07 1.04 0.00 0.00 0.00 175.76 175.15