#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 2.56 -3.45 4.03 4.32 -1.26 -4.93 117.00 118.28 1wki n LEU 2 Ca 0.00 -0.03 -0.29 0.00 -0.02 0.00 0.00 56.01 55.67 1wki n LEU 2 Cb 0.00 -0.17 -0.12 0.00 -1.62 0.00 0.00 43.42 41.51 1wki n LEU 2 CO 0.00 0.54 -0.32 -0.04 -1.22 0.00 0.00 177.39 176.35 1wki s MET 3 N -2.13 0.61 1.12 3.23 -1.94 -1.26 -5.14 119.30 113.79 1wki s MET 3 Ca -0.08 -1.47 -0.19 0.00 -1.71 0.00 0.00 55.69 52.24 1wki s MET 3 Cb 0.02 -1.31 0.12 0.00 2.01 0.00 0.00 34.83 35.67 1wki s MET 3 CO 0.16 -1.25 0.02 -2.30 -0.01 0.00 0.00 175.02 171.64 1wki n PRO 4 N 3.81 -1.77 -2.01 2.03 -0.02 -1.26 -4.93 135.00 130.86 1wki n PRO 4 Ca 0.16 -0.50 -0.30 0.00 -2.02 0.00 0.00 63.50 60.83 1wki n PRO 4 Cb 0.39 -1.66 0.03 0.00 -0.02 0.00 0.00 33.50 32.24 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 -2.05 3.22 0.00 -0.52 1.85 -1.26 -4.59 116.66 113.30 1wki n ARG 5 Ca 0.01 -3.98 0.00 0.00 -1.00 0.00 0.00 57.85 52.88 1wki n ARG 5 Cb 0.60 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.74 1wki n ARG 5 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1wki n ARG 6 N -0.65 0.00 -1.92 2.89 1.85 -1.26 -5.13 116.66 112.44 1wki n ARG 6 Ca 0.48 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.96 1wki n ARG 6 Cb 0.68 -0.04 0.03 0.00 -1.05 0.00 0.00 32.46 32.09 1wki n ARG 6 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1wki s MET 7 N -1.44 3.14 -0.14 2.89 -1.94 -1.26 -5.04 119.30 115.51 1wki s MET 7 Ca 0.00 2.03 -0.12 0.00 -1.71 0.00 0.00 55.69 55.89 1wki s MET 7 Cb 0.00 -2.16 0.04 0.00 2.01 0.00 0.00 34.83 34.73 1wki s MET 7 CO 0.00 -1.12 0.37 0.15 -0.01 0.00 0.00 175.02 174.40 1wki s LYS 8 N -3.03 0.41 -0.58 2.03 1.02 -1.26 -4.95 119.74 113.39 1wki s LYS 8 Ca 0.73 0.56 -0.26 0.00 0.02 0.00 0.00 55.97 57.01 1wki s LYS 8 Cb -0.35 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 1wki s LYS 8 CO 0.41 -0.08 2.01 0.71 -0.92 0.00 0.00 175.35 177.48 1wki s TYR 9 N 0.46 1.50 0.11 3.18 2.02 -1.26 -4.96 117.35 118.40 1wki s TYR 9 Ca -0.02 1.00 -0.10 0.00 -0.37 0.00 0.00 57.07 57.57 1wki s TYR 9 Cb -0.04 -3.95 -0.06 0.00 -0.40 0.00 0.00 41.96 37.51 1wki s TYR 9 CO -0.02 -2.37 0.43 0.50 -1.57 0.00 0.00 175.55 172.52 1wki s ARG 10 N 7.37 3.79 0.26 -0.62 3.52 -1.26 -5.09 118.95 126.92 1wki s ARG 10 Ca 0.75 0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 56.51 1wki s ARG 10 Cb -0.14 -2.94 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1wki s ARG 10 CO 0.22 0.52 0.36 -1.59 -0.81 0.00 0.00 175.30 174.00 1wki s LYS 11 N -2.07 1.54 0.73 5.12 -2.85 -1.26 -5.17 119.74 115.78 1wki s LYS 11 Ca 0.36 -1.53 -0.11 0.00 -1.00 0.00 0.00 55.97 53.68 1wki s LYS 11 Cb -0.14 0.39 0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1wki s LYS 11 CO 0.19 -0.60 1.10 -1.14 0.10 0.00 0.00 175.35 174.99 1wki s GLN 12 N -3.79 2.69 -0.26 1.78 0.74 -1.26 -5.05 119.66 114.51 1wki s GLN 12 Ca 0.30 0.51 -0.09 0.00 0.05 0.00 0.00 55.36 56.13 1wki s GLN 12 Cb 0.02 -2.00 -0.04 0.00 1.10 0.00 0.00 33.01 32.09 1wki s GLN 12 CO 0.14 -1.16 0.14 -0.65 -0.55 0.00 0.00 175.29 173.20 1wki s GLN 13 N -5.31 3.84 0.62 1.67 -0.21 -1.26 -4.97 119.66 114.03 1wki s GLN 13 Ca 0.59 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.58 1wki s GLN 13 Cb -0.12 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.39 1wki s GLN 13 CO 0.52 -0.16 0.00 0.54 -2.12 0.00 0.00 175.29 174.07 1wki n ARG 14 N 4.93 -3.34 -0.12 2.91 1.74 -1.26 -4.86 116.66 116.66 1wki n ARG 14 Ca -0.15 2.72 -0.20 0.00 -0.77 0.00 0.00 57.85 59.45 1wki n ARG 14 Cb 0.52 -3.90 -0.12 0.00 -1.02 0.00 0.00 32.46 27.94 1wki n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wki n GLY 15 N -4.34 -0.41 3.70 -0.13 0.00 -1.26 -4.99 105.19 97.77 1wki n GLY 15 Ca -0.09 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1wki n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wki s ARG 16 N -2.52 1.24 -0.16 1.61 1.04 -1.26 -5.07 118.95 113.83 1wki s ARG 16 Ca -0.34 0.96 -0.06 0.00 -1.04 0.00 0.00 55.73 55.25 1wki s ARG 16 Cb 0.10 -1.80 0.07 0.00 -2.04 0.00 0.00 34.95 31.28 1wki s ARG 16 CO 0.60 -2.29 0.34 -1.17 -0.04 0.00 0.00 175.30 172.73 1wki s LEU 17 N -6.29 -0.37 0.16 -1.89 1.98 -1.26 -5.02 118.68 105.99 1wki s LEU 17 Ca 0.64 0.78 0.12 0.00 -2.89 0.00 0.00 54.13 52.77 1wki s LEU 17 Cb -0.19 1.03 -0.10 0.00 0.66 0.00 0.00 46.19 47.59 1wki s LEU 17 CO 0.57 -0.23 1.24 0.11 -1.89 0.00 0.00 176.35 176.15 1wki h LYS 18 N 8.06 0.00 0.00 1.98 1.79 -2.03 -3.41 116.57 122.97 1wki h LYS 18 Ca -0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1wki h LYS 18 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1wki h LYS 18 CO 0.16 0.68 0.00 0.41 -1.08 0.00 0.00 179.45 179.62 1wki n GLY 19 N 1.32 -1.91 3.55 3.86 0.00 -1.26 -4.47 105.19 106.29 1wki n GLY 19 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.39 2.34 -0.39 4.61 0.00 -1.26 -4.84 121.76 119.82 1wki s ALA 20 Ca 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.28 1wki s ALA 20 Cb 0.00 -4.28 0.27 0.00 0.00 0.00 0.00 23.12 19.11 1wki s ALA 20 CO 0.00 -3.68 0.59 0.25 0.00 0.00 0.00 175.76 172.92 1wki n THR 21 N 7.03 -0.54 -3.77 0.00 -2.24 -1.26 -4.87 114.28 108.63 1wki n THR 21 Ca 0.17 -3.91 -0.36 0.00 -2.27 0.00 0.00 64.05 57.67 1wki n THR 21 Cb 0.51 -1.36 -0.11 0.00 -2.10 0.00 0.00 70.33 67.27 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 -1.27 2.09 0.00 -0.78 2.36 -1.26 -4.53 119.74 116.35 1wki s LYS 22 Ca 0.36 -1.94 0.00 0.00 -2.55 0.00 0.00 55.97 51.83 1wki s LYS 22 Cb 0.21 -3.61 0.00 0.00 -1.05 0.00 0.00 37.83 33.38 1wki s LYS 22 CO -0.11 -1.09 0.00 0.41 1.55 0.00 0.00 175.35 176.11 1wki n GLY 23 N 4.41 1.92 3.41 5.54 0.00 -1.26 -5.07 105.19 114.14 1wki n GLY 23 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 2.45 0.13 -0.02 0.00 -1.26 -4.97 107.32 101.65 1wki s GLY 24 Ca 0.00 -3.24 -0.31 0.00 0.00 0.00 0.00 44.72 41.17 1wki s GLY 24 CO 0.00 1.75 1.36 0.99 0.00 0.00 0.00 173.10 177.20 1wki s ASP 25 N 2.70 6.85 -0.10 1.64 1.11 -1.23 -4.92 116.67 122.72 1wki s ASP 25 Ca 0.32 2.33 -0.05 0.00 0.18 0.00 0.00 52.55 55.34 1wki s ASP 25 Cb -0.06 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 1wki s ASP 25 CO -0.06 -0.61 -0.13 0.00 1.18 0.00 0.00 175.17 175.54 1wki n TYR 26 N 3.62 0.00 0.04 4.23 4.11 -1.26 -4.42 117.16 123.48 1wki n TYR 26 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 1wki n TYR 26 Cb 0.43 -0.38 0.00 0.00 -0.00 0.00 0.00 39.34 39.39 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1wki n VAL 27 N -3.40 0.00 -2.05 -3.48 0.31 -1.26 -4.56 118.33 103.90 1wki n VAL 27 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1wki n VAL 27 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 -2.61 -2.09 -1.52 3.52 0.00 -1.26 -4.86 120.51 111.69 1wki n ALA 28 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1wki n ALA 28 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.80 -4.19 -2.86 0.00 3.72 -1.26 -4.87 117.46 109.80 1wki n PHE 29 Ca 0.00 2.24 0.01 0.00 -0.05 0.00 0.00 57.45 59.65 1wki n PHE 29 Cb 0.00 -3.43 -0.00 0.00 -0.94 0.00 0.00 39.48 35.11 1wki n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wki n GLY 30 N -1.29 -2.07 0.08 1.37 0.00 -1.26 -4.69 105.19 97.33 1wki n GLY 30 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 1.26 -4.68 1.61 9.92 0.17 -4.73 116.55 120.09 1wki n ASP 31 Ca 0.00 -0.02 -0.26 0.00 -0.53 0.00 0.00 54.79 53.98 1wki n ASP 31 Cb 0.02 0.67 -0.09 0.00 -0.64 0.00 0.00 41.12 41.09 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 -2.40 2.57 -0.21 1.24 2.02 0.05 0.12 117.35 120.74 1wki s TYR 32 Ca -0.12 -0.58 -0.12 0.00 -0.37 0.00 0.00 57.07 55.88 1wki s TYR 32 Cb 0.05 -1.81 0.07 0.00 -0.40 0.00 0.00 41.96 39.87 1wki s TYR 32 CO 0.63 0.32 0.52 0.20 -1.57 0.00 0.00 175.55 175.65 1wki s GLY 33 N -3.81 -0.45 -0.39 0.71 0.00 0.36 -2.62 107.32 101.12 1wki s GLY 33 Ca 0.38 1.88 -0.20 0.00 0.00 0.00 0.00 44.72 46.77 1wki s GLY 33 CO 0.21 1.95 0.64 -2.27 0.00 0.00 0.00 173.10 173.63 1wki s LEU 34 N 1.46 4.35 -0.01 0.66 1.98 0.31 -1.81 118.68 125.63 1wki s LEU 34 Ca -0.09 -0.06 -0.01 0.00 -2.89 0.00 0.00 54.13 51.07 1wki s LEU 34 Cb -0.07 -2.76 -0.04 0.00 0.66 0.00 0.00 46.19 43.98 1wki s LEU 34 CO -0.15 -0.67 0.12 0.54 -1.89 0.00 0.00 176.35 174.30 1wki s VAL 35 N 2.76 5.01 -0.40 1.68 0.11 -0.97 -0.03 120.40 128.56 1wki s VAL 35 Ca 0.24 -0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 58.81 1wki s VAL 35 Cb -0.14 -3.31 0.01 0.00 -1.53 0.00 0.00 36.38 31.41 1wki s VAL 35 CO 0.17 0.34 0.39 0.00 -3.33 0.00 0.00 175.10 172.67 1wki s ALA 36 N -1.25 3.45 -2.04 1.54 0.00 0.97 -2.15 121.76 122.29 1wki s ALA 36 Ca 0.25 -1.46 0.15 0.00 0.00 0.00 0.00 51.96 50.90 1wki s ALA 36 Cb -0.12 -2.96 0.82 0.00 0.00 0.00 0.00 23.12 20.85 1wki s ALA 36 CO 0.16 -1.42 1.54 1.28 0.00 0.00 0.00 175.76 177.32 1wki n LEU 37 N 5.47 0.29 -3.78 0.00 4.77 0.16 0.97 117.00 124.88 1wki n LEU 37 Ca -0.08 -0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.64 1wki n LEU 37 Cb 0.48 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1wki n LEU 37 CO 0.44 0.06 -0.01 -1.61 -1.33 0.00 0.00 177.39 174.94 1wki s GLU 38 N -1.95 0.57 0.18 3.23 2.02 -1.24 -4.55 118.70 116.95 1wki s GLU 38 Ca 0.23 -0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.85 1wki s GLU 38 Cb 0.11 0.25 -0.08 0.00 0.10 0.00 0.00 34.13 34.51 1wki s GLU 38 CO 0.18 -0.14 1.24 -1.25 0.02 0.00 0.00 175.26 175.31 1wki s PRO 39 N -0.97 4.44 0.25 0.39 0.04 -1.26 -4.41 135.00 133.49 1wki s PRO 39 Ca -0.10 1.94 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 1wki s PRO 39 Cb -0.05 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1wki s PRO 39 CO 0.03 -0.17 0.82 0.00 0.04 0.00 0.00 177.00 177.72 1wki s ALA 40 N 0.14 -1.30 -0.35 8.56 0.00 -1.17 -4.93 121.76 122.72 1wki s ALA 40 Ca 0.55 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 1wki s ALA 40 Cb -0.34 0.76 0.06 0.00 0.00 0.00 0.00 23.12 23.60 1wki s ALA 40 CO 0.36 -1.04 0.12 -1.58 0.00 0.00 0.00 175.76 173.63 1wki s TRP 41 N -3.36 3.32 -0.20 0.00 0.51 -1.26 -1.39 118.94 116.56 1wki s TRP 41 Ca 0.13 -1.70 -0.26 0.00 -2.12 0.00 0.00 56.10 52.15 1wki s TRP 41 Cb -0.04 -2.50 -0.01 0.00 -0.81 0.00 0.00 33.47 30.11 1wki s TRP 41 CO 0.06 -0.80 0.88 0.42 -0.51 0.00 0.00 176.95 177.00 1wki s ILE 42 N 1.33 4.82 0.84 2.03 -1.09 -1.01 -4.72 121.20 123.41 1wki s ILE 42 Ca -0.00 1.71 -0.12 0.00 -2.23 0.00 0.00 60.65 60.00 1wki s ILE 42 Cb -0.21 -4.17 0.10 0.00 -1.58 0.00 0.00 42.46 36.60 1wki s ILE 42 CO 0.01 -0.05 1.18 0.42 -1.23 0.00 0.00 174.94 175.27 1wki s THR 43 N 2.60 2.00 0.16 2.92 -4.23 -1.26 0.32 115.64 118.15 1wki s THR 43 Ca 0.39 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.75 1wki s THR 43 Cb -0.16 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 70.78 1wki s THR 43 CO 0.10 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 175.99 1wki h ALA 44 N -1.20 0.60 -0.87 3.99 0.00 -1.97 -2.58 119.26 117.23 1wki h ALA 44 Ca -0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wki h ALA 44 Cb 1.32 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1wki h ALA 44 CO 0.63 0.06 0.54 1.96 0.00 0.00 0.00 179.25 182.44 1wki h GLN 45 N 0.64 1.18 -0.53 0.00 1.08 -1.93 -2.17 115.11 113.38 1wki h GLN 45 Ca 0.17 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1wki h GLN 45 Cb -0.05 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.10 1wki h GLN 45 CO -0.04 0.82 0.35 1.96 -0.95 0.00 0.00 178.83 180.97 1wki h GLN 46 N 1.20 0.58 0.00 1.46 4.20 -1.83 2.43 115.11 123.15 1wki h GLN 46 Ca 0.32 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1wki h GLN 46 Cb -0.07 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1wki h GLN 46 CO -0.06 0.38 -0.00 0.82 -0.67 0.00 0.00 178.83 179.30 1wki h ILE 47 N 0.59 1.45 0.08 2.54 2.04 -1.28 -2.80 117.51 120.14 1wki h ILE 47 Ca 0.21 -1.36 -0.17 0.00 1.00 0.00 0.00 64.86 64.54 1wki h ILE 47 Cb 0.11 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1wki h ILE 47 CO -0.06 0.35 -0.85 -0.08 0.00 0.00 0.00 178.15 177.51 1wki h GLU 48 N -0.59 0.17 -0.49 2.37 4.57 -1.17 -3.03 114.58 116.41 1wki h GLU 48 Ca -0.00 -0.29 0.08 0.00 -1.18 0.00 0.00 59.36 57.97 1wki h GLU 48 Cb 0.58 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.21 1wki h GLU 48 CO 0.00 1.14 0.13 0.00 -1.18 0.00 0.00 179.01 179.10 1wki h ALA 49 N -0.05 0.57 -0.51 2.92 0.00 0.40 0.06 119.26 122.65 1wki h ALA 49 Ca -0.18 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1wki h ALA 49 Cb 1.48 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1wki h ALA 49 CO 0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 179.25 178.96 1wki h ALA 50 N 1.36 0.70 -0.81 0.00 0.00 -1.54 -2.89 119.26 116.08 1wki h ALA 50 Ca 0.24 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1wki h ALA 50 Cb 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1wki h ALA 50 CO -0.29 0.56 0.53 -0.09 0.00 0.00 0.00 179.25 179.95 1wki h ARG 51 N 0.80 1.03 -0.42 0.00 2.43 -1.24 -1.33 114.38 115.65 1wki h ARG 51 Ca 0.14 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1wki h ARG 51 Cb 0.59 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1wki h ARG 51 CO 0.04 0.68 0.24 0.28 -1.51 0.00 0.00 179.97 179.69 1wki h VAL 52 N 1.06 1.03 -0.55 0.20 2.07 -0.87 0.23 116.25 119.41 1wki h VAL 52 Ca 0.31 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1wki h VAL 52 Cb -0.07 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1wki h VAL 52 CO -0.08 0.09 0.14 0.00 0.02 0.00 0.00 177.57 177.74 1wki h ALA 53 N 1.19 1.21 -0.06 1.67 0.00 -1.25 -2.10 119.26 119.92 1wki h ALA 53 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wki h ALA 53 Cb 0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1wki h ALA 53 CO -0.09 0.54 -0.10 0.52 0.00 0.00 0.00 179.25 180.13 1wki h MET 54 N 0.82 0.17 -0.99 0.00 2.07 -0.65 -1.37 114.93 114.97 1wki h MET 54 Ca 0.18 -0.11 0.08 0.00 -2.07 0.00 0.00 59.70 57.78 1wki h MET 54 Cb 0.28 0.01 -0.07 0.00 -1.87 0.00 0.00 31.60 29.95 1wki h MET 54 CO -0.00 0.68 0.64 0.28 1.07 0.00 0.00 176.91 179.57 1wki h VAL 55 N -0.32 1.05 0.00 -2.22 2.07 -0.47 -0.96 116.25 115.40 1wki h VAL 55 Ca 0.00 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 66.98 1wki h VAL 55 Cb 0.66 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1wki h VAL 55 CO 0.02 0.20 -0.75 0.03 0.02 0.00 0.00 177.57 177.10 1wki h ARG 56 N 1.12 0.00 0.33 1.57 3.08 -1.39 -3.29 114.38 115.80 1wki h ARG 56 Ca 0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 1wki h ARG 56 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1wki h ARG 56 CO -0.18 0.75 -0.18 1.25 -1.07 0.00 0.00 179.97 180.53 1wki h HIS 57 N 0.00 -0.48 -0.93 3.04 2.76 -0.00 -3.40 115.15 116.14 1wki h HIS 57 Ca -0.01 -0.01 -0.44 0.00 -2.20 0.00 0.00 60.37 57.72 1wki h HIS 57 Cb 1.33 0.16 -0.03 0.00 1.55 0.00 0.00 27.41 30.42 1wki h HIS 57 CO 0.00 -0.29 1.58 1.19 -1.30 0.00 0.00 177.93 179.11 1wki n PHE 58 N -5.31 1.07 0.11 5.26 3.72 -0.97 -4.76 117.46 116.58 1wki n PHE 58 Ca -0.10 0.19 0.06 0.00 -0.05 0.00 0.00 57.45 57.54 1wki n PHE 58 Cb 0.22 -2.47 0.51 0.00 -0.94 0.00 0.00 39.48 36.81 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 16.35 0.31 -0.91 -1.08 3.08 -1.89 -1.46 114.38 128.78 1wki h ARG 59 Ca -0.15 -0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.36 1wki h ARG 59 Cb 1.26 -0.07 -0.28 0.00 0.08 0.00 0.00 29.97 30.96 1wki h ARG 59 CO 1.24 0.21 0.57 0.54 -1.07 0.00 0.00 179.97 181.46 1wki n ARG 60 N -4.50 2.36 -1.00 0.04 5.12 -1.26 -5.05 116.66 112.36 1wki n ARG 60 Ca 0.00 -3.15 0.13 0.00 -1.93 0.00 0.00 57.85 52.90 1wki n ARG 60 Cb 0.07 -2.16 -0.06 0.00 -1.16 0.00 0.00 32.46 29.15 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wki n GLY 61 N -1.07 -2.73 0.00 -0.13 0.00 -0.55 -4.98 105.19 95.73 1wki n GLY 61 Ca 0.57 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1wki n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 62 N -3.71 1.20 3.09 -0.02 0.00 -1.26 -4.65 105.19 99.83 1wki n GLY 62 Ca -0.04 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 1.10 0.11 1.61 -2.85 -1.26 -4.92 119.74 111.53 1wki s LYS 63 Ca 0.00 -0.46 0.08 0.00 -1.00 0.00 0.00 55.97 54.59 1wki s LYS 63 Cb 0.00 -1.05 -0.04 0.00 -2.06 0.00 0.00 37.83 34.68 1wki s LYS 63 CO 0.00 0.27 -0.16 0.42 0.10 0.00 0.00 175.35 175.97 1wki s ILE 64 N -0.24 2.95 -0.20 3.79 1.01 -1.26 -3.14 121.20 124.11 1wki s ILE 64 Ca 0.04 -1.42 -0.01 0.00 0.00 0.00 0.00 60.65 59.26 1wki s ILE 64 Cb -0.06 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1wki s ILE 64 CO -0.00 0.13 -0.14 -0.36 0.00 0.00 0.00 174.94 174.56 1wki s PHE 65 N -1.14 2.86 -0.09 3.97 0.08 0.23 -4.97 117.98 118.92 1wki s PHE 65 Ca 0.18 -1.45 -0.00 0.00 0.12 0.00 0.00 56.93 55.78 1wki s PHE 65 Cb -0.11 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1wki s PHE 65 CO 0.10 -0.73 -0.07 0.42 -0.10 0.00 0.00 175.22 174.85 1wki s ILE 66 N 1.34 3.67 -0.03 0.64 -1.09 -1.26 -2.70 121.20 121.78 1wki s ILE 66 Ca 0.05 -0.47 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1wki s ILE 66 Cb -0.14 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 1wki s ILE 66 CO -0.09 0.57 0.01 -1.14 -1.23 0.00 0.00 174.94 173.06 1wki n ARG 67 N 2.62 3.41 -1.93 2.79 0.63 -1.25 -5.03 116.66 117.90 1wki n ARG 67 Ca -0.18 -0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.34 1wki n ARG 67 Cb 0.53 -1.08 -0.02 0.00 0.45 0.00 0.00 32.46 32.34 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1wki s ILE 68 N -2.08 2.42 -0.01 5.15 -4.36 -1.26 -5.02 121.20 116.03 1wki s ILE 68 Ca -0.02 0.36 -0.01 0.00 -0.26 0.00 0.00 60.65 60.73 1wki s ILE 68 Cb 0.01 -3.23 0.00 0.00 1.25 0.00 0.00 42.46 40.49 1wki s ILE 68 CO 0.13 0.06 0.02 -0.36 0.24 0.00 0.00 174.94 175.04 1wki s PHE 69 N -0.21 -0.02 -0.06 1.37 0.08 -1.26 -5.05 117.98 112.84 1wki s PHE 69 Ca 0.59 0.06 -0.30 0.00 0.12 0.00 0.00 56.93 57.40 1wki s PHE 69 Cb -0.44 -0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.95 1wki s PHE 69 CO 0.47 -0.02 1.44 -1.25 -0.10 0.00 0.00 175.22 175.77 1wki s PRO 70 N 0.13 4.24 0.00 0.24 0.04 -1.26 -4.32 135.00 134.07 1wki s PRO 70 Ca -0.01 1.96 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1wki s PRO 70 Cb -0.01 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1wki s PRO 70 CO -0.00 -0.69 0.00 -0.25 0.04 0.00 0.00 177.00 176.10 1wki n ASP 71 N 6.21 0.00 -4.69 6.66 9.92 -0.34 -4.78 116.55 129.54 1wki n ASP 71 Ca 0.15 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.98 1wki n ASP 71 Cb 0.44 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.89 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1wki s LYS 72 N -1.69 4.23 0.65 -1.24 2.36 -1.06 -4.82 119.74 118.16 1wki s LYS 72 Ca 0.00 2.19 -0.17 0.00 -2.55 0.00 0.00 55.97 55.44 1wki s LYS 72 Cb 0.00 -3.62 -0.04 0.00 -1.05 0.00 0.00 37.83 33.13 1wki s LYS 72 CO 0.00 -0.69 0.83 -2.30 1.55 0.00 0.00 175.35 174.74 1wki n PRO 73 N 5.63 0.62 -3.94 4.03 -0.02 -1.26 -2.37 135.00 137.68 1wki n PRO 73 Ca 0.15 0.26 -0.31 0.00 -2.02 0.00 0.00 63.50 61.58 1wki n PRO 73 Cb 0.42 -2.06 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.69 3.23 0.04 6.00 6.14 -1.06 -4.78 117.35 125.22 1wki s TYR 74 Ca 0.73 -2.73 0.09 0.00 0.64 0.00 0.00 57.07 55.80 1wki s TYR 74 Cb -0.39 -2.63 -0.03 0.00 0.42 0.00 0.00 41.96 39.33 1wki s TYR 74 CO 0.50 -0.92 -0.25 0.95 0.64 0.00 0.00 175.55 176.48 1wki s THR 75 N 0.96 2.27 -0.45 4.34 -4.23 -1.26 -1.37 115.64 115.91 1wki s THR 75 Ca 0.11 -1.31 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1wki s THR 75 Cb -0.19 -1.89 0.60 0.00 1.34 0.00 0.00 72.50 72.36 1wki s THR 75 CO -0.11 0.39 1.89 0.29 -0.54 0.00 0.00 174.62 176.53 1wki n LYS 76 N 1.82 2.23 -4.00 3.99 4.76 -1.26 -4.90 118.16 120.79 1wki n LYS 76 Ca -0.17 -2.85 -0.35 0.00 -2.87 0.00 0.00 58.31 52.07 1wki n LYS 76 Cb 0.52 -2.12 -0.14 0.00 -1.84 0.00 0.00 35.03 31.45 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 -3.16 3.46 0.05 1.97 3.01 -1.26 -5.03 119.74 118.78 1wki s LYS 77 Ca 0.54 -0.59 -0.29 0.00 -1.01 0.00 0.00 55.97 54.62 1wki s LYS 77 Cb 0.45 -3.02 -0.18 0.00 -1.01 0.00 0.00 37.83 34.08 1wki s LYS 77 CO 0.09 -0.11 1.45 -1.00 0.51 0.00 0.00 175.35 176.28 1wki h PRO 78 N 7.86 -0.72 -5.58 -1.68 0.13 -2.07 -3.43 132.00 126.51 1wki h PRO 78 Ca -0.39 0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 64.13 1wki h PRO 78 Cb 1.17 0.16 -0.26 0.00 0.13 0.00 0.00 31.00 32.20 1wki h PRO 78 CO 0.60 -0.43 -0.77 -0.51 -0.23 0.00 0.00 178.00 176.66 1wki s LEU 79 N -9.84 2.68 -0.07 1.56 1.43 -1.26 -4.96 118.68 108.22 1wki s LEU 79 Ca -0.16 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1wki s LEU 79 Cb 0.03 -1.58 0.09 0.00 0.03 0.00 0.00 46.19 44.75 1wki s LEU 79 CO 0.57 0.21 0.80 1.21 0.23 0.00 0.00 176.35 179.37 1wki n GLU 80 N 3.22 0.29 -2.93 1.70 2.13 -1.26 -5.04 120.64 118.74 1wki n GLU 80 Ca -0.18 -0.66 -0.43 0.00 0.66 0.00 0.00 57.16 56.55 1wki n GLU 80 Cb 0.53 0.42 -0.05 0.00 0.27 0.00 0.00 31.44 32.60 1wki n GLU 80 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1wki s VAL 81 N 0.03 4.62 -1.63 6.31 1.01 -1.26 -3.95 120.40 125.52 1wki s VAL 81 Ca 0.02 0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 1wki s VAL 81 Cb 0.09 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1wki s VAL 81 CO -0.03 -0.71 0.27 0.54 0.00 0.00 0.00 175.10 175.17 1wki n ARG 82 N 6.79 -3.04 -3.95 2.72 1.74 -1.26 -4.99 116.66 114.67 1wki n ARG 82 Ca 0.03 0.94 -0.15 0.00 -0.77 0.00 0.00 57.85 57.90 1wki n ARG 82 Cb 0.48 -5.65 -0.15 0.00 -1.02 0.00 0.00 32.46 26.13 1wki n ARG 82 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1wki s MET 83 N -5.31 0.21 0.00 5.56 -1.94 -1.25 -5.13 119.30 111.45 1wki s MET 83 Ca 0.13 0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.12 1wki s MET 83 Cb -0.06 -0.31 0.00 0.00 2.01 0.00 0.00 34.83 36.47 1wki s MET 83 CO 0.16 -0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.54 1wki n GLY 84 N 3.59 3.82 1.47 -0.03 0.00 -1.26 -4.84 105.19 107.94 1wki n GLY 84 Ca -0.20 -1.52 0.06 0.00 0.00 0.00 0.00 46.02 44.36 1wki n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wki n LYS 85 N -1.89 3.67 0.00 1.61 3.00 -1.26 -4.90 118.16 118.39 1wki n LYS 85 Ca 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 58.31 55.97 1wki n LYS 85 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.06 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 86 N 0.65 -0.02 3.61 3.14 0.00 -1.26 -5.10 105.19 106.21 1wki n GLY 86 Ca 0.21 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 0.13 0.71 1.61 2.20 -1.26 -5.13 119.74 118.00 1wki s LYS 87 Ca 0.00 0.24 -0.11 0.00 -0.36 0.00 0.00 55.97 55.74 1wki s LYS 87 Cb 0.00 0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1wki s LYS 87 CO 0.00 -0.03 1.07 0.20 -0.36 0.00 0.00 175.35 176.23 1wki s GLY 88 N 1.23 1.67 -0.37 5.54 0.00 -1.26 -4.96 107.32 109.18 1wki s GLY 88 Ca -0.08 0.13 -0.29 0.00 0.00 0.00 0.00 44.72 44.48 1wki s GLY 88 CO -0.12 0.44 1.39 0.21 0.00 0.00 0.00 173.10 175.03 1wki s ASN 89 N -3.70 6.43 0.35 1.64 3.84 -1.26 -4.99 114.94 117.25 1wki s ASN 89 Ca 0.59 0.98 -0.28 0.00 0.21 0.00 0.00 52.86 54.36 1wki s ASN 89 Cb -0.15 -2.54 -0.10 0.00 -0.55 0.00 0.00 41.25 37.92 1wki s ASN 89 CO 0.55 -1.33 1.25 0.54 -2.79 0.00 0.00 177.10 175.32 1wki s VAL 90 N 5.13 2.90 -0.54 -5.21 0.11 -1.26 -4.93 120.40 116.60 1wki s VAL 90 Ca 0.60 0.86 -0.03 0.00 -2.93 0.00 0.00 61.98 60.49 1wki s VAL 90 Cb -0.15 -3.53 0.21 0.00 -1.53 0.00 0.00 36.38 31.38 1wki s VAL 90 CO 0.30 0.17 2.35 -0.62 -3.33 0.00 0.00 175.10 173.97 1wki n GLU 91 N 0.60 2.39 0.00 1.54 -0.58 -0.47 -4.99 120.64 119.12 1wki n GLU 91 Ca 0.01 -2.56 0.00 0.00 -0.42 0.00 0.00 57.16 54.19 1wki n GLU 91 Cb 0.43 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 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 0.21 -2.85 3.55 0.62 0.00 -1.26 -4.85 105.19 100.60 1wki n GLY 92 Ca 0.48 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.78 2.54 0.23 1.61 2.02 -1.26 -2.58 117.35 119.13 1wki s TYR 93 Ca 0.00 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1wki s TYR 93 Cb 0.00 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.34 1wki s TYR 93 CO 0.00 0.59 0.12 0.14 -1.57 0.00 0.00 175.55 174.83 1wki s VAL 94 N -2.07 0.27 -0.32 0.71 -7.23 -1.00 -3.63 120.40 107.12 1wki s VAL 94 Ca 0.28 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1wki s VAL 94 Cb -0.07 -2.56 0.08 0.00 0.56 0.00 0.00 36.38 34.39 1wki s VAL 94 CO 0.16 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 174.97 1wki s ALA 95 N -3.96 2.83 0.21 1.32 0.00 0.15 -1.20 121.76 121.12 1wki s ALA 95 Ca 0.38 -2.23 -0.32 0.00 0.00 0.00 0.00 51.96 49.79 1wki s ALA 95 Cb 0.07 -1.91 -0.12 0.00 0.00 0.00 0.00 23.12 21.16 1wki s ALA 95 CO 0.13 -1.52 1.68 0.28 0.00 0.00 0.00 175.76 176.34 1wki n VAL 96 N 4.39 0.15 -4.36 0.00 0.31 -1.26 -2.40 118.33 115.16 1wki n VAL 96 Ca -0.04 -0.04 -0.19 0.00 -0.01 0.00 0.00 64.34 64.07 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 0.96 1.71 0.16 2.52 1.01 -0.48 -4.98 120.40 121.29 1wki s VAL 97 Ca 0.74 -2.20 0.05 0.00 0.00 0.00 0.00 61.98 60.57 1wki s VAL 97 Cb -0.53 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1wki s VAL 97 CO 0.35 -0.55 -0.11 -0.54 0.00 0.00 0.00 175.10 174.25 1wki s LYS 98 N -3.66 1.11 -0.17 2.72 1.02 -1.26 -3.04 119.74 116.45 1wki s LYS 98 Ca 0.23 -1.48 -0.33 0.00 0.02 0.00 0.00 55.97 54.42 1wki s LYS 98 Cb -0.00 -0.71 -0.10 0.00 -0.52 0.00 0.00 37.83 36.51 1wki s LYS 98 CO 0.07 0.09 2.05 -2.30 -0.92 0.00 0.00 175.35 174.34 1wki n PRO 99 N -0.23 1.92 0.00 -1.68 -0.02 -1.23 -2.00 135.00 131.77 1wki n PRO 99 Ca -0.10 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1wki n PRO 99 Cb 0.61 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 5.25 1.87 3.40 -1.23 0.00 0.27 -4.93 105.19 109.82 1wki n GLY 100 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 1wki n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wki s ARG 101 N -0.78 3.53 -0.63 1.61 6.06 -0.85 -3.48 118.95 124.41 1wki s ARG 101 Ca 0.00 -0.56 -0.27 0.00 -2.50 0.00 0.00 55.73 52.40 1wki s ARG 101 Cb 0.00 -3.07 0.03 0.00 0.06 0.00 0.00 34.95 31.97 1wki s ARG 101 CO 0.00 -0.08 1.18 0.08 -2.50 0.00 0.00 175.30 173.98 1wki s VAL 102 N 1.23 3.98 -0.22 7.11 1.01 -1.26 -0.02 120.40 132.23 1wki s VAL 102 Ca 0.03 0.60 0.21 0.00 0.00 0.00 0.00 61.98 62.82 1wki s VAL 102 Cb -0.15 -4.76 -0.01 0.00 0.00 0.00 0.00 36.38 31.46 1wki s VAL 102 CO 0.00 -1.49 1.04 0.24 0.00 0.00 0.00 175.10 174.90 1wki h MET 103 N 9.67 0.00 -4.25 2.72 0.00 -0.81 -3.45 114.93 118.81 1wki h MET 103 Ca -0.26 0.00 -0.14 0.00 0.00 0.00 0.00 59.70 59.29 1wki h MET 103 Cb 1.06 0.00 -0.15 0.00 0.00 0.00 0.00 31.60 32.51 1wki h MET 103 CO 1.20 0.07 -0.60 -0.06 0.00 0.00 0.00 176.91 177.52 1wki s PHE 104 N -3.26 0.62 -0.30 -0.22 0.40 -1.13 -3.96 117.98 110.13 1wki s PHE 104 Ca -0.01 -1.07 -0.14 0.00 -0.60 0.00 0.00 56.93 55.12 1wki s PHE 104 Cb 0.09 -0.37 0.16 0.00 0.51 0.00 0.00 43.02 43.41 1wki s PHE 104 CO 0.79 -0.49 0.91 -1.83 0.70 0.00 0.00 175.22 175.30 1wki s GLU 105 N -3.98 0.36 0.39 0.44 1.03 -1.10 0.11 118.70 115.95 1wki s GLU 105 Ca 0.15 0.89 0.08 0.00 0.03 0.00 0.00 54.97 56.12 1wki s GLU 105 Cb 0.07 0.53 -0.03 0.00 -0.80 0.00 0.00 34.13 33.90 1wki s GLU 105 CO -0.04 -0.12 0.32 0.14 -1.33 0.00 0.00 175.26 174.23 1wki s VAL 106 N 2.52 2.93 -0.23 1.83 -7.23 -1.08 -0.60 120.40 118.55 1wki s VAL 106 Ca -0.03 -1.40 -0.24 0.00 -1.81 0.00 0.00 61.98 58.49 1wki s VAL 106 Cb -0.07 -3.05 0.07 0.00 0.56 0.00 0.00 36.38 33.88 1wki s VAL 106 CO -0.18 -0.07 0.67 0.00 -0.31 0.00 0.00 175.10 175.22 1wki s ALA 107 N -2.43 -1.68 0.00 1.32 0.00 -1.19 0.42 121.76 118.21 1wki s ALA 107 Ca 0.45 1.83 0.00 0.00 0.00 0.00 0.00 51.96 54.24 1wki s ALA 107 Cb -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1wki s ALA 107 CO 0.27 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1wki n GLY 108 N 2.49 3.06 3.82 0.00 0.00 -1.26 -4.13 105.19 109.18 1wki n GLY 108 Ca -0.15 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.63 4.03 0.88 1.61 -7.23 -1.26 -5.04 120.40 111.75 1wki s VAL 109 Ca 0.00 0.66 -0.11 0.00 -1.81 0.00 0.00 61.98 60.71 1wki s VAL 109 Cb 0.00 -3.42 0.12 0.00 0.56 0.00 0.00 36.38 33.64 1wki s VAL 109 CO 0.00 -0.86 1.09 0.42 -0.31 0.00 0.00 175.10 175.44 1wki s THR 110 N -3.06 2.75 0.21 5.32 -4.23 -1.26 -4.68 115.64 110.69 1wki s THR 110 Ca 0.58 0.24 -0.10 0.00 -1.18 0.00 0.00 61.69 61.23 1wki s THR 110 Cb -0.14 -2.76 0.16 0.00 1.34 0.00 0.00 72.50 71.10 1wki s THR 110 CO 0.55 -0.32 1.87 -0.08 -0.54 0.00 0.00 174.62 176.11 1wki h GLU 111 N -1.46 0.96 -0.45 3.99 4.81 -1.97 0.86 114.58 121.32 1wki h GLU 111 Ca -0.49 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.63 1wki h GLU 111 Cb 1.28 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1wki h GLU 111 CO 0.55 0.64 0.08 1.49 -0.73 0.00 0.00 179.01 181.04 1wki h GLU 112 N 0.99 0.75 -0.04 1.92 4.57 -1.98 0.39 114.58 121.17 1wki h GLU 112 Ca 0.28 -0.20 -0.23 0.00 -1.18 0.00 0.00 59.36 58.04 1wki h GLU 112 Cb -0.08 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1wki h GLU 112 CO -0.08 0.76 -0.91 1.96 -1.18 0.00 0.00 179.01 179.57 1wki h GLN 113 N 0.61 0.58 -0.05 1.92 1.08 -1.84 -2.41 115.11 115.00 1wki h GLN 113 Ca 0.14 -0.56 -0.04 0.00 -1.45 0.00 0.00 58.65 56.74 1wki h GLN 113 Cb 0.37 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1wki h GLN 113 CO 0.01 1.18 -0.11 0.00 -0.95 0.00 0.00 178.83 178.96 1wki h ALA 114 N 0.63 0.08 -0.58 3.87 0.00 0.82 -0.45 119.26 123.63 1wki h ALA 114 Ca -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1wki h ALA 114 Cb 1.54 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 1wki h ALA 114 CO 0.17 -0.05 0.31 0.52 0.00 0.00 0.00 179.25 180.21 1wki h MET 115 N -0.35 0.81 -0.08 0.00 2.86 -0.33 -0.10 114.93 117.75 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 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1wki h MET 115 CO 0.02 0.62 -0.02 1.49 1.06 0.00 0.00 176.91 180.09 1wki h GLU 116 N 0.78 0.15 -0.27 1.72 4.81 -1.48 -2.14 114.58 118.15 1wki h GLU 116 Ca 0.20 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1wki h GLU 116 Cb 0.05 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1wki h GLU 116 CO -0.03 0.47 0.04 0.00 -0.73 0.00 0.00 179.01 178.76 1wki h ALA 117 N 0.68 0.27 -0.14 2.92 0.00 -0.93 0.13 119.26 122.19 1wki h ALA 117 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wki h ALA 117 Cb 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1wki h ALA 117 CO 0.01 -0.37 0.08 -0.07 0.00 0.00 0.00 179.25 178.90 1wki h LEU 118 N 0.14 0.16 -0.17 0.00 4.07 -1.01 -1.75 115.31 116.74 1wki h LEU 118 Ca 0.12 -0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.85 1wki h LEU 118 Cb 0.13 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 41.84 1wki h LEU 118 CO -0.17 0.12 -0.87 -0.09 -1.08 0.00 0.00 178.44 176.34 1wki h ARG 119 N 0.18 0.61 -0.87 1.13 2.43 -0.49 -3.11 114.38 114.27 1wki h ARG 119 Ca 0.05 -0.57 0.11 0.00 -0.81 0.00 0.00 59.98 58.76 1wki h ARG 119 Cb -0.01 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 1wki h ARG 119 CO -0.01 1.19 0.56 0.82 -1.51 0.00 0.00 179.97 181.02 1wki h ILE 120 N 0.39 0.93 -0.21 1.20 2.04 0.11 0.44 117.51 122.40 1wki h ILE 120 Ca -0.07 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1wki h ILE 120 Cb 1.50 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1wki h ILE 120 CO 0.17 0.15 -0.05 0.00 0.00 0.00 0.00 178.15 178.41 1wki h ALA 121 N 1.58 0.29 0.00 1.87 0.00 -1.49 -2.96 119.26 118.54 1wki h ALA 121 Ca 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1wki h ALA 121 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wki h ALA 121 CO -0.18 0.07 -0.04 0.78 0.00 0.00 0.00 179.25 179.88 1wki h GLY 122 N 0.13 0.00 0.97 0.00 0.00 -1.24 -3.14 103.07 99.80 1wki h GLY 122 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.40 1wki h GLY 122 CO 0.02 0.00 0.65 0.84 0.00 0.00 0.00 176.54 178.06 1wki h HIS 123 N 0.00 1.24 -0.16 5.60 6.17 0.00 -1.01 115.15 126.99 1wki h HIS 123 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1wki h HIS 123 Cb 0.69 -0.42 0.00 0.00 2.52 0.00 0.00 27.41 30.20 1wki h HIS 123 CO 0.00 0.76 0.00 0.36 0.71 0.00 0.00 177.93 179.76 1wki n LYS 124 N -4.41 1.77 -2.57 5.26 0.00 -1.19 -4.91 118.16 112.11 1wki n LYS 124 Ca 0.12 -1.15 -0.30 0.00 -0.00 0.00 0.00 58.31 56.98 1wki n LYS 124 Cb 0.04 -1.41 -0.02 0.00 -0.00 0.00 0.00 35.03 33.64 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 -1.60 3.65 -0.06 -5.58 1.43 -0.38 -4.97 118.68 111.17 1wki s LEU 125 Ca 0.33 1.20 0.06 0.00 -1.03 0.00 0.00 54.13 54.70 1wki s LEU 125 Cb 0.18 -4.14 0.28 0.00 0.03 0.00 0.00 46.19 42.54 1wki s LEU 125 CO 0.27 -0.55 1.04 -0.81 0.23 0.00 0.00 176.35 176.54 1wki n PRO 126 N -1.80 2.16 -3.99 1.29 -0.04 -1.26 -4.88 135.00 126.48 1wki n PRO 126 Ca 0.03 -1.09 -0.10 0.00 -0.04 0.00 0.00 63.50 62.30 1wki n PRO 126 Cb 0.54 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.04 0.22 0.52 -5.25 -1.26 -4.96 121.20 108.86 1wki s ILE 127 Ca 0.19 -1.44 -0.30 0.00 -0.99 0.00 0.00 60.65 58.11 1wki s ILE 127 Cb 0.13 -2.00 -0.08 0.00 2.95 0.00 0.00 42.46 43.45 1wki s ILE 127 CO 0.08 -0.18 0.93 -0.75 -1.79 0.00 0.00 174.94 173.24 1wki s LYS 128 N -4.00 4.82 0.00 0.37 2.47 -1.26 -4.91 119.74 117.23 1wki s LYS 128 Ca 0.21 1.46 -0.03 0.00 -1.56 0.00 0.00 55.97 56.05 1wki s LYS 128 Cb 0.03 -3.29 -0.01 0.00 -1.46 0.00 0.00 37.83 33.10 1wki s LYS 128 CO 0.04 0.48 0.05 0.95 0.16 0.00 0.00 175.35 177.03 1wki s THR 129 N -1.01 0.07 0.16 3.43 -4.23 -1.26 0.39 115.64 113.19 1wki s THR 129 Ca 0.41 -0.57 0.05 0.00 -1.18 0.00 0.00 61.69 60.41 1wki s THR 129 Cb -0.25 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 1wki s THR 129 CO 0.31 -0.31 -0.12 -1.59 -0.54 0.00 0.00 174.62 172.37 1wki s LYS 130 N -0.99 1.14 0.03 3.99 -2.85 -0.91 -4.95 119.74 115.19 1wki s LYS 130 Ca -0.11 -1.49 -0.20 0.00 -1.00 0.00 0.00 55.97 53.17 1wki s LYS 130 Cb -0.06 -0.78 -0.06 0.00 -2.06 0.00 0.00 37.83 34.87 1wki s LYS 130 CO 0.00 0.11 0.57 0.42 0.10 0.00 0.00 175.35 176.55 1wki s ILE 131 N -3.21 4.85 -0.08 3.79 -1.09 -1.26 -2.29 121.20 121.91 1wki s ILE 131 Ca 0.18 1.20 -0.10 0.00 -2.23 0.00 0.00 60.65 59.71 1wki s ILE 131 Cb 0.01 -3.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1wki s ILE 131 CO 0.02 0.48 0.26 0.68 -1.23 0.00 0.00 174.94 175.16 1wki s VAL 132 N -0.62 0.01 0.77 2.92 -7.23 -0.75 -4.97 120.40 110.53 1wki s VAL 132 Ca 0.29 -0.12 -0.12 0.00 -1.81 0.00 0.00 61.98 60.23 1wki s VAL 132 Cb -0.19 -0.42 0.05 0.00 0.56 0.00 0.00 36.38 36.39 1wki s VAL 132 CO 0.18 -0.07 1.11 -0.60 -0.31 0.00 0.00 175.10 175.40 1wki s ARG 133 N -0.18 2.35 -0.91 4.82 3.52 -1.25 0.13 118.95 127.42 1wki s ARG 133 Ca -0.03 0.51 -0.15 0.00 -0.13 0.00 0.00 55.73 55.93 1wki s ARG 133 Cb -0.03 -1.96 -0.26 0.00 -1.56 0.00 0.00 34.95 31.14 1wki s ARG 133 CO 0.01 -1.41 2.22 0.54 -0.81 0.00 0.00 175.30 175.85 1wki n ARG 134 N -3.27 0.19 -3.10 5.12 1.74 0.32 0.35 116.66 118.01 1wki n ARG 134 Ca 0.07 -0.31 -0.14 0.00 -0.77 0.00 0.00 57.85 56.70 1wki n ARG 134 Cb 0.57 -1.96 0.06 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 10.18 -3.57 -4.07 0.55 -0.08 -1.26 -5.00 116.55 113.30 1wki n ASP 135 Ca 0.59 -0.38 -0.35 0.00 -1.51 0.00 0.00 54.79 53.14 1wki n ASP 135 Cb 0.25 -3.55 -0.12 0.00 2.34 0.00 0.00 41.12 40.04 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wki s ALA 136 N -3.23 3.32 -0.20 -1.67 0.00 0.16 -5.06 121.76 115.09 1wki s ALA 136 Ca 0.21 -2.95 0.00 0.00 0.00 0.00 0.00 51.96 49.22 1wki s ALA 136 Cb -0.09 -2.42 0.05 0.00 0.00 0.00 0.00 23.12 20.65 1wki s ALA 136 CO 0.49 -1.95 -0.07 0.71 0.00 0.00 0.00 175.76 174.94 1wki s TYR 137 N 0.40 2.10 0.25 0.00 1.51 -1.26 -3.91 117.35 116.43 1wki s TYR 137 Ca 0.13 -1.42 0.06 0.00 -1.01 0.00 0.00 57.07 54.83 1wki s TYR 137 Cb -0.22 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 1wki s TYR 137 CO -0.04 -0.70 0.33 0.34 -1.11 0.00 0.00 175.55 174.37 1wki s ASP 138 N 1.50 6.11 0.46 2.29 2.15 -1.26 -5.09 116.67 122.83 1wki s ASP 138 Ca -0.02 -0.02 -0.22 0.00 0.43 0.00 0.00 52.55 52.72 1wki s ASP 138 Cb -0.17 -1.71 -0.08 0.00 -0.30 0.00 0.00 42.92 40.66 1wki s ASP 138 CO -0.07 -0.09 1.08 -1.61 -0.17 0.00 0.00 175.17 174.31 1wki s GLU 139 N -3.96 3.86 -0.50 4.34 2.02 -1.26 -5.01 118.70 118.19 1wki s GLU 139 Ca 0.34 1.54 -0.13 0.00 0.02 0.00 0.00 54.97 56.74 1wki s GLU 139 Cb -0.09 -2.31 0.12 0.00 0.10 0.00 0.00 34.13 31.95 1wki s GLU 139 CO 0.28 -0.41 0.42 0.00 0.02 0.00 0.00 175.26 175.57 1wki s ALA 140 N -1.75 3.53 -2.00 5.21 0.00 -1.26 -5.35 121.76 120.14 1wki s ALA 140 Ca 0.64 -2.46 0.18 0.00 0.00 0.00 0.00 51.96 50.33 1wki s ALA 140 Cb -0.22 -3.06 1.09 0.00 0.00 0.00 0.00 23.12 20.93 1wki s ALA 140 CO 0.27 -1.92 1.49 0.94 0.00 0.00 0.00 175.76 176.53