#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj n PHE 2 N 0.00 0.00 -0.34 2.03 7.35 -1.26 -4.75 117.46 120.49 2wdj n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2wdj n PHE 2 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2wdj n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wdj n ALA 3 N -3.00 -1.48 -3.86 3.13 0.00 -1.25 -4.13 120.51 109.92 2wdj n ALA 3 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2wdj n ALA 3 Cb 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 19.45 19.18 2wdj n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wdj s ILE 4 N 0.00 3.12 0.81 0.00 1.01 -0.31 -0.86 121.20 124.97 2wdj s ILE 4 Ca 0.00 -3.81 -0.12 0.00 0.00 0.00 0.00 60.65 56.72 2wdj s ILE 4 Cb 0.00 -3.05 0.08 0.00 0.01 0.00 0.00 42.46 39.50 2wdj s ILE 4 CO 0.00 -0.95 1.17 0.54 0.00 0.00 0.00 174.94 175.71 2wdj s VAL 5 N -0.96 2.04 -0.03 2.92 0.11 0.18 -1.59 120.40 123.07 2wdj s VAL 5 Ca 0.22 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 2wdj s VAL 5 Cb -0.13 -2.99 0.03 0.00 -1.53 0.00 0.00 36.38 31.75 2wdj s VAL 5 CO -0.10 -0.02 -0.01 -0.75 -3.33 0.00 0.00 175.10 170.90 2wdj s LYS 6 N -5.55 0.41 -0.28 1.54 2.20 -1.25 -1.02 119.74 115.79 2wdj s LYS 6 Ca 0.62 0.03 -0.24 0.00 -0.36 0.00 0.00 55.97 56.02 2wdj s LYS 6 Cb -0.11 -0.55 0.09 0.00 -1.51 0.00 0.00 37.83 35.76 2wdj s LYS 6 CO 0.49 -0.12 0.84 -0.08 -0.36 0.00 0.00 175.35 176.13 2wdj s THR 7 N 0.96 0.00 -0.07 3.43 -1.32 -0.31 -4.76 115.64 113.57 2wdj s THR 7 Ca -0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 2wdj s THR 7 Cb -0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 2wdj s THR 7 CO -0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 2wdj n GLY 8 N 2.70 0.47 1.86 6.08 0.00 -1.26 -2.94 105.19 112.10 2wdj n GLY 8 Ca -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2wdj n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLY 9 N -2.84 0.52 3.08 -0.02 0.00 -1.26 -5.00 105.19 99.66 2wdj n GLY 9 Ca -0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 2wdj n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj s LYS 10 N -0.36 0.60 0.00 1.61 1.02 -1.15 -5.16 119.74 116.29 2wdj s LYS 10 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.27 2wdj s LYS 10 Cb 0.00 -0.44 -0.04 0.00 -0.52 0.00 0.00 37.83 36.83 2wdj s LYS 10 CO 0.00 0.09 -0.02 -0.65 -0.92 0.00 0.00 175.35 173.85 2wdj s GLN 11 N -1.43 2.70 0.04 1.68 -0.21 -1.26 -1.16 119.66 120.02 2wdj s GLN 11 Ca -0.07 -0.65 0.01 0.00 0.02 0.00 0.00 55.36 54.67 2wdj s GLN 11 Cb -0.09 -2.61 -0.03 0.00 1.00 0.00 0.00 33.01 31.28 2wdj s GLN 11 CO 0.01 0.62 -0.05 0.71 -2.12 0.00 0.00 175.29 174.46 2wdj s TYR 12 N -1.06 0.48 -0.48 0.91 2.02 -0.19 -4.99 117.35 114.04 2wdj s TYR 12 Ca 0.19 -0.67 -0.16 0.00 -0.37 0.00 0.00 57.07 56.07 2wdj s TYR 12 Cb -0.11 -0.32 0.08 0.00 -0.40 0.00 0.00 41.96 41.21 2wdj s TYR 12 CO 0.09 -0.19 0.42 0.50 -1.57 0.00 0.00 175.55 174.80 2wdj s ARG 13 N -2.21 2.99 0.00 -0.62 3.52 -1.26 -0.65 118.95 120.72 2wdj s ARG 13 Ca -0.07 -1.37 0.00 0.00 -0.13 0.00 0.00 55.73 54.16 2wdj s ARG 13 Cb -0.05 -4.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.19 2wdj s ARG 13 CO -0.03 -1.07 0.00 1.33 -0.81 0.00 0.00 175.30 174.72 2wdj n VAL 14 N 5.22 0.00 -1.97 7.11 0.24 -0.04 -4.99 118.33 123.91 2wdj n VAL 14 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 2wdj n VAL 14 Cb 0.43 -1.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.28 2wdj n VAL 14 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdj n GLU 15 N -0.95 0.00 0.00 7.34 1.02 -1.26 -4.50 120.64 122.29 2wdj n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2wdj n GLU 15 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2wdj n GLU 15 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wdj n PRO 16 N 0.00 0.00 -4.60 3.49 -0.02 -1.26 -4.67 135.00 127.94 2wdj n PRO 16 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 2wdj n PRO 16 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.36 2wdj n PRO 16 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wdj s GLY 17 N 0.00 1.68 0.00 -1.23 0.00 -1.22 -3.80 107.32 102.75 2wdj s GLY 17 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2wdj s GLY 17 CO 0.00 -0.48 0.00 1.47 0.00 0.00 0.00 173.10 174.09 2wdj n LEU 18 N 2.66 0.00 -1.08 0.66 -0.00 -1.26 -4.92 117.00 113.07 2wdj n LEU 18 Ca -0.18 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 55.91 2wdj n LEU 18 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.90 2wdj n LEU 18 CO 0.29 0.00 -0.34 1.17 -0.00 0.00 0.00 177.39 178.50 2wdj n LYS 19 N 0.00 -1.92 0.00 1.47 3.00 -1.26 -4.66 118.16 114.79 2wdj n LYS 19 Ca 0.00 1.56 0.00 0.00 -0.00 0.00 0.00 58.31 59.87 2wdj n LYS 19 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 35.03 32.63 2wdj n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2wdj n LEU 20 N -3.54 0.00 -4.92 3.14 4.32 -1.26 -4.81 117.00 109.93 2wdj n LEU 20 Ca -0.05 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.68 2wdj n LEU 20 Cb 0.36 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.18 2wdj n LEU 20 CO 0.02 0.00 0.48 -0.13 -1.22 0.00 0.00 177.39 176.54 2wdj s ARG 21 N 1.77 3.08 -0.32 3.23 3.00 -1.26 -3.32 118.95 125.13 2wdj s ARG 21 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 55.73 55.87 2wdj s ARG 21 Cb 0.00 -2.33 0.44 0.00 0.00 0.00 0.00 34.95 33.06 2wdj s ARG 21 CO 0.00 -0.53 1.37 1.33 0.00 0.00 0.00 175.30 177.47 2wdj n VAL 22 N -2.45 0.41 -1.21 3.52 0.24 -1.21 -4.89 118.33 112.74 2wdj n VAL 22 Ca 0.03 -1.70 0.00 0.00 -2.04 0.00 0.00 64.34 60.63 2wdj n VAL 22 Cb 0.57 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 2wdj n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdj n GLU 23 N -1.11 -3.47 -0.80 7.34 -0.58 -1.26 -4.41 120.64 116.34 2wdj n GLU 23 Ca -0.08 2.59 -0.31 0.00 -0.42 0.00 0.00 57.16 58.93 2wdj n GLU 23 Cb 0.85 -2.91 -0.05 0.00 -0.57 0.00 0.00 31.44 28.77 2wdj n GLU 23 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdj n LYS 24 N -0.88 0.00 -3.87 3.49 4.76 -1.14 -4.47 118.16 116.05 2wdj n LYS 24 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 2wdj n LYS 24 Cb 0.00 -0.70 -0.13 0.00 -1.84 0.00 0.00 35.03 32.36 2wdj n LYS 24 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wdj s LEU 25 N 1.27 3.92 -0.19 -0.35 1.43 -1.26 -5.00 118.68 118.50 2wdj s LEU 25 Ca 0.48 -1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2wdj s LEU 25 Cb -0.69 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 2wdj s LEU 25 CO 0.37 -0.26 1.78 -0.67 0.23 0.00 0.00 176.35 177.80 2wdj n ASP 26 N 4.69 2.54 -3.86 2.29 2.03 -1.26 -4.76 116.55 118.21 2wdj n ASP 26 Ca -0.13 -1.99 -0.27 0.00 0.52 0.00 0.00 54.79 52.91 2wdj n ASP 26 Cb 0.44 -0.68 -0.17 0.00 -0.72 0.00 0.00 41.12 40.00 2wdj n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wdj s ALA 27 N 2.66 1.31 0.27 -1.67 0.00 -1.26 -5.13 121.76 117.93 2wdj s ALA 27 Ca 0.28 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 2wdj s ALA 27 Cb 0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2wdj s ALA 27 CO -0.01 -0.69 -0.25 0.39 0.00 0.00 0.00 175.76 175.20 2wdj n GLU 28 N 4.94 0.00 0.00 0.00 1.02 -1.26 -4.77 120.64 120.57 2wdj n GLU 28 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2wdj n GLU 28 Cb 0.48 -0.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 2wdj n GLU 28 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wdj n PRO 29 N 0.68 0.00 -0.04 3.49 -0.02 -1.26 -2.90 135.00 134.96 2wdj n PRO 29 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2wdj n PRO 29 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.64 2wdj n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdj n GLY 30 N 0.00 1.68 0.00 -1.23 0.00 -1.26 -4.36 105.19 100.02 2wdj n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdj n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdj n ALA 31 N 0.68 0.00 -3.40 4.61 0.00 -1.14 -4.73 120.51 116.53 2wdj n ALA 31 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2wdj n ALA 31 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 2wdj n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wdj s THR 32 N -0.14 -0.88 0.23 0.00 2.01 -1.26 -3.21 115.64 112.38 2wdj s THR 32 Ca 0.00 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.09 2wdj s THR 32 Cb 0.00 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 2wdj s THR 32 CO 0.00 -0.01 0.09 0.68 -0.69 0.00 0.00 174.62 174.69 2wdj s VAL 33 N 2.78 4.03 -0.16 3.82 -7.23 0.13 -4.94 120.40 118.84 2wdj s VAL 33 Ca 0.09 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2wdj s VAL 33 Cb -0.14 -3.13 0.01 0.00 0.56 0.00 0.00 36.38 33.68 2wdj s VAL 33 CO -0.18 -0.27 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.45 2wdj s GLU 34 N -3.51 3.11 -1.11 4.82 2.12 -1.26 -0.12 118.70 122.75 2wdj s GLU 34 Ca 0.31 -0.80 -0.20 0.00 0.36 0.00 0.00 54.97 54.64 2wdj s GLU 34 Cb -0.08 -2.56 0.08 0.00 0.26 0.00 0.00 34.13 31.83 2wdj s GLU 34 CO 0.22 -0.05 1.49 -0.51 -0.54 0.00 0.00 175.26 175.87 2wdj s LEU 35 N 0.94 3.99 0.36 2.70 2.01 0.12 -4.82 118.68 123.98 2wdj s LEU 35 Ca -0.03 -2.01 0.18 0.00 0.01 0.00 0.00 54.13 52.27 2wdj s LEU 35 Cb -0.15 -2.53 1.18 0.00 0.01 0.00 0.00 46.19 44.70 2wdj s LEU 35 CO -0.03 -1.26 1.65 1.55 1.01 0.00 0.00 176.35 179.26 2wdj h PRO 36 N 8.69 0.23 -6.53 1.29 0.13 -1.88 -3.24 132.00 130.68 2wdj h PRO 36 Ca 0.28 -0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.87 2wdj h PRO 36 Cb 0.95 -0.05 0.03 0.00 0.13 0.00 0.00 31.00 32.06 2wdj h PRO 36 CO 1.37 0.15 0.91 0.14 -0.23 0.00 0.00 178.00 180.35 2wdj s VAL 37 N -5.59 2.88 -0.30 1.56 -7.23 -1.26 -4.52 120.40 105.94 2wdj s VAL 37 Ca -0.09 0.53 -0.16 0.00 -1.81 0.00 0.00 61.98 60.44 2wdj s VAL 37 Cb 0.31 -3.34 0.18 0.00 0.56 0.00 0.00 36.38 34.09 2wdj s VAL 37 CO 0.79 0.02 1.14 -0.22 -0.31 0.00 0.00 175.10 176.52 2wdj s LEU 38 N 1.75 -0.28 0.15 1.32 0.20 -1.26 -3.81 118.68 116.75 2wdj s LEU 38 Ca 0.71 0.42 0.08 0.00 0.69 0.00 0.00 54.13 56.03 2wdj s LEU 38 Cb -0.41 1.37 -0.04 0.00 -0.43 0.00 0.00 46.19 46.68 2wdj s LEU 38 CO 0.31 -0.06 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.37 2wdj s LEU 39 N 1.58 2.42 0.58 -0.68 2.01 -0.62 -2.54 118.68 121.43 2wdj s LEU 39 Ca -0.06 -0.83 0.00 0.00 0.01 0.00 0.00 54.13 53.25 2wdj s LEU 39 Cb -0.03 -0.82 0.00 0.00 0.01 0.00 0.00 46.19 45.35 2wdj s LEU 39 CO -0.14 -0.03 0.00 0.18 1.01 0.00 0.00 176.35 177.37 2wdj n LEU 40 N 0.43 -1.30 -3.92 1.79 7.99 -1.25 -1.17 117.00 119.57 2wdj n LEU 40 Ca -0.14 2.51 -0.09 0.00 -0.01 0.00 0.00 56.01 58.28 2wdj n LEU 40 Cb 0.56 -2.90 -0.05 0.00 -0.11 0.00 0.00 43.42 40.92 2wdj n LEU 40 CO 0.28 -1.38 0.16 -0.83 -1.51 0.00 0.00 177.39 174.11 2wdj s GLY 41 N -6.16 0.36 0.47 -0.72 0.00 -1.26 -3.93 107.32 96.08 2wdj s GLY 41 Ca 0.00 -0.71 0.25 0.00 0.00 0.00 0.00 44.72 44.26 2wdj s GLY 41 CO 0.00 -0.58 1.85 -1.33 0.00 0.00 0.00 173.10 173.04 2wdj h GLY 42 N 2.30 0.53 -5.16 0.20 0.00 -1.86 -2.64 103.07 96.45 2wdj h GLY 42 Ca -0.28 -0.10 -0.68 0.00 0.00 0.00 0.00 47.33 46.27 2wdj h GLY 42 CO 0.39 -0.03 0.09 1.18 0.00 0.00 0.00 176.54 178.17 2wdj n GLU 43 N -4.41 3.60 -3.47 4.80 -0.58 -1.26 -4.75 120.64 114.58 2wdj n GLU 43 Ca 0.21 -4.38 -0.20 0.00 -0.42 0.00 0.00 57.16 52.37 2wdj n GLU 43 Cb 0.88 -2.29 0.04 0.00 -0.57 0.00 0.00 31.44 29.49 2wdj n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdj n LYS 44 N -0.36 -1.50 0.15 3.49 5.02 -1.00 -4.89 118.16 119.07 2wdj n LYS 44 Ca 0.42 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.52 2wdj n LYS 44 Cb 0.41 -4.64 0.20 0.00 -0.02 0.00 0.00 35.03 30.99 2wdj n LYS 44 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2wdj h THR 45 N -1.03 1.32 -1.08 -0.18 2.02 -1.87 -3.46 112.91 108.63 2wdj h THR 45 Ca -0.51 -1.99 0.11 0.00 0.77 0.00 0.00 66.41 64.79 2wdj h THR 45 Cb 1.28 2.10 -0.03 0.00 -1.74 0.00 0.00 68.15 69.76 2wdj h THR 45 CO 0.42 0.55 -0.15 0.55 0.37 0.00 0.00 175.52 177.26 2wdj n VAL 46 N -3.74 0.00 -3.39 3.16 3.14 -1.26 -4.79 118.33 111.45 2wdj n VAL 46 Ca -0.01 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.20 2wdj n VAL 46 Cb 0.59 -0.14 -0.09 0.00 -1.06 0.00 0.00 33.84 33.14 2wdj n VAL 46 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2wdj s VAL 47 N -1.13 -0.41 0.04 1.55 -7.23 -1.26 -3.76 120.40 108.21 2wdj s VAL 47 Ca 0.00 -0.52 -0.08 0.00 -1.81 0.00 0.00 61.98 59.56 2wdj s VAL 47 Cb 0.00 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 35.96 2wdj s VAL 47 CO 0.00 -0.47 0.91 0.61 -0.31 0.00 0.00 175.10 175.84 2wdj n GLY 48 N 5.22 -2.25 0.00 2.32 0.00 -1.26 -4.40 105.19 104.81 2wdj n GLY 48 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2wdj n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdj n THR 49 N -3.54 0.00 -0.07 2.61 -1.04 -1.26 -5.06 114.28 105.92 2wdj n THR 49 Ca 0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.88 2wdj n THR 49 Cb 0.07 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.47 2wdj n THR 49 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2wdj h PRO 50 N 0.00 0.00 -5.65 -2.82 0.11 -2.01 -3.44 132.00 118.19 2wdj h PRO 50 Ca 0.00 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.47 2wdj h PRO 50 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 30.97 2wdj h PRO 50 CO 0.00 0.90 0.31 0.08 -0.21 0.00 0.00 178.00 179.08 2wdj s VAL 51 N -2.19 4.67 -0.39 3.15 1.01 -1.26 -4.58 120.40 120.82 2wdj s VAL 51 Ca -0.19 0.28 -0.33 0.00 0.00 0.00 0.00 61.98 61.73 2wdj s VAL 51 Cb -0.01 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 31.94 2wdj s VAL 51 CO 0.61 -0.74 2.25 0.55 0.00 0.00 0.00 175.10 177.76 2wdj n VAL 52 N 6.05 0.16 0.00 2.92 3.14 -1.05 -4.88 118.33 124.67 2wdj n VAL 52 Ca 0.01 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 2wdj n VAL 52 Cb 0.48 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.50 2wdj n VAL 52 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2wdj n GLU 53 N 8.35 0.00 0.00 1.45 1.02 -1.26 -2.47 120.64 127.73 2wdj n GLU 53 Ca 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 2wdj n GLU 53 Cb 0.27 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 2wdj n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdj n GLY 54 N 0.00 0.37 3.35 0.62 0.00 -1.26 -4.67 105.19 103.59 2wdj n GLY 54 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2wdj n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdj s ALA 55 N 1.63 2.08 -0.24 4.61 0.00 -1.03 -4.29 121.76 124.52 2wdj s ALA 55 Ca 0.00 -1.57 -0.34 0.00 0.00 0.00 0.00 51.96 50.05 2wdj s ALA 55 Cb 0.00 -0.17 0.16 0.00 0.00 0.00 0.00 23.12 23.12 2wdj s ALA 55 CO 0.00 0.19 1.28 -1.54 0.00 0.00 0.00 175.76 175.70 2wdj s SER 56 N -2.92 -0.09 -0.09 0.00 1.04 -0.66 -4.82 113.70 106.16 2wdj s SER 56 Ca 0.19 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.71 2wdj s SER 56 Cb -0.04 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 2wdj s SER 56 CO 0.07 -0.13 -0.23 0.54 0.98 0.00 0.00 173.24 174.48 2wdj s VAL 57 N -1.75 2.19 -0.11 5.02 0.11 -1.22 -1.47 120.40 123.17 2wdj s VAL 57 Ca 0.09 -0.99 -0.14 0.00 -2.93 0.00 0.00 61.98 58.01 2wdj s VAL 57 Cb -0.01 -1.83 -0.05 0.00 -1.53 0.00 0.00 36.38 32.96 2wdj s VAL 57 CO -0.05 0.56 0.33 -0.69 -3.33 0.00 0.00 175.10 171.93 2wdj s VAL 58 N 0.12 5.24 0.00 2.04 1.01 -0.51 0.11 120.40 128.40 2wdj s VAL 58 Ca -0.11 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2wdj s VAL 58 Cb -0.16 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 2wdj s VAL 58 CO 0.06 0.45 -0.01 0.00 0.00 0.00 0.00 175.10 175.60 2wdj s ALA 59 N -0.02 0.10 -0.27 5.51 0.00 0.83 0.10 121.76 128.01 2wdj s ALA 59 Ca 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 2wdj s ALA 59 Cb -0.14 0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2wdj s ALA 59 CO 0.07 -0.00 0.04 -2.00 0.00 0.00 0.00 175.76 173.87 2wdj s GLU 60 N -0.26 3.17 -0.03 0.00 2.12 -0.62 -0.69 118.70 122.39 2wdj s GLU 60 Ca -0.02 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 2wdj s GLU 60 Cb -0.02 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 2wdj s GLU 60 CO -0.00 -0.37 1.40 0.14 -0.54 0.00 0.00 175.26 175.90 2wdj s VAL 61 N 1.49 3.80 -2.39 3.70 -7.23 -1.20 -1.63 120.40 116.94 2wdj s VAL 61 Ca 0.03 1.13 0.25 0.00 -1.81 0.00 0.00 61.98 61.58 2wdj s VAL 61 Cb -0.16 -3.73 0.51 0.00 0.56 0.00 0.00 36.38 33.56 2wdj s VAL 61 CO 0.01 -0.03 1.66 0.18 -0.31 0.00 0.00 175.10 176.61 2wdj n LEU 62 N 5.75 1.56 0.00 1.32 7.99 -0.64 -4.03 117.00 128.95 2wdj n LEU 62 Ca 0.14 -0.59 0.00 0.00 -0.01 0.00 0.00 56.01 55.55 2wdj n LEU 62 Cb 0.44 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 2wdj n LEU 62 CO 0.58 0.29 0.00 0.61 -1.51 0.00 0.00 177.39 177.37 2wdj n GLY 63 N 1.15 0.80 0.00 -0.72 0.00 -1.24 -4.90 105.19 100.27 2wdj n GLY 63 Ca 0.18 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2wdj n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdj n HIS 64 N 6.45 0.00 0.00 1.61 8.25 -1.26 -1.83 115.22 128.44 2wdj n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdj n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdj n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdj n GLY 65 N 3.24 0.71 3.32 -1.41 0.00 -1.16 -4.81 105.19 105.08 2wdj n GLY 65 Ca 0.00 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 2wdj n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdj s ARG 66 N -1.90 2.46 0.98 1.61 3.00 -1.26 0.83 118.95 124.67 2wdj s ARG 66 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 55.73 54.72 2wdj s ARG 66 Cb 0.00 -2.19 0.18 0.00 0.00 0.00 0.00 34.95 32.94 2wdj s ARG 66 CO 0.00 0.47 1.16 0.20 0.00 0.00 0.00 175.30 177.13 2wdj s GLY 67 N -0.37 1.61 0.70 -3.53 0.00 0.35 -4.93 107.32 101.16 2wdj s GLY 67 Ca 0.03 -0.72 -0.16 0.00 0.00 0.00 0.00 44.72 43.86 2wdj s GLY 67 CO 0.02 -0.06 0.56 1.17 0.00 0.00 0.00 173.10 174.79 2wdj n LYS 68 N -3.97 0.35 -2.59 2.90 3.00 -1.26 -4.60 118.16 111.98 2wdj n LYS 68 Ca 0.09 0.16 -0.41 0.00 -0.00 0.00 0.00 58.31 58.15 2wdj n LYS 68 Cb 0.59 -1.84 -0.04 0.00 0.00 0.00 0.00 35.03 33.74 2wdj n LYS 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2wdj s LYS 69 N -2.71 4.61 -0.17 1.64 2.20 -1.26 -4.58 119.74 119.47 2wdj s LYS 69 Ca 0.66 1.61 -0.07 0.00 -0.36 0.00 0.00 55.97 57.81 2wdj s LYS 69 Cb -0.36 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2wdj s LYS 69 CO 0.57 0.07 0.06 0.42 -0.36 0.00 0.00 175.35 176.12 2wdj s ILE 70 N 0.09 4.83 -0.72 5.43 1.01 0.69 -4.90 121.20 127.63 2wdj s ILE 70 Ca 0.50 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.97 2wdj s ILE 70 Cb -0.27 -3.15 0.17 0.00 0.01 0.00 0.00 42.46 39.22 2wdj s ILE 70 CO 0.32 0.49 0.71 -0.76 0.00 0.00 0.00 174.94 175.69 2wdj s LEU 71 N 0.12 6.29 -0.78 2.97 1.43 -1.26 0.57 118.68 128.02 2wdj s LEU 71 Ca 0.05 -2.22 -0.23 0.00 -1.03 0.00 0.00 54.13 50.71 2wdj s LEU 71 Cb -0.12 -2.24 0.07 0.00 0.03 0.00 0.00 46.19 43.93 2wdj s LEU 71 CO 0.01 -0.76 1.13 0.68 0.23 0.00 0.00 176.35 177.63 2wdj s VAL 72 N 1.10 4.22 -0.14 -1.59 -7.23 0.67 -4.92 120.40 112.51 2wdj s VAL 72 Ca 0.14 -0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 59.81 2wdj s VAL 72 Cb -0.18 -4.80 -0.02 0.00 0.56 0.00 0.00 36.38 31.94 2wdj s VAL 72 CO -0.04 -1.62 -0.11 -0.94 -0.31 0.00 0.00 175.10 172.08 2wdj s SER 73 N 3.87 4.17 0.00 4.85 1.04 -1.26 -0.50 113.70 125.87 2wdj s SER 73 Ca 0.30 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.47 2wdj s SER 73 Cb -0.10 -1.65 -0.03 0.00 0.10 0.00 0.00 66.02 64.33 2wdj s SER 73 CO 0.05 0.16 -0.03 -0.54 0.98 0.00 0.00 173.24 173.86 2wdj s LYS 74 N 0.36 2.66 -0.11 4.02 1.02 -0.01 -4.98 119.74 122.71 2wdj s LYS 74 Ca -0.09 -0.67 -0.04 0.00 0.02 0.00 0.00 55.97 55.19 2wdj s LYS 74 Cb -0.16 -2.58 0.05 0.00 -0.52 0.00 0.00 37.83 34.63 2wdj s LYS 74 CO 0.05 0.61 0.15 0.12 -0.92 0.00 0.00 175.35 175.36 2wdj s PHE 75 N -1.05 -0.13 -0.20 3.18 2.19 -1.26 -1.56 117.98 119.15 2wdj s PHE 75 Ca 0.18 0.40 -0.07 0.00 0.33 0.00 0.00 56.93 57.78 2wdj s PHE 75 Cb -0.11 -0.35 -0.04 0.00 -1.31 0.00 0.00 43.02 41.21 2wdj s PHE 75 CO 0.09 -0.35 0.05 0.15 1.83 0.00 0.00 175.22 177.00 2wdj s LYS 76 N 2.27 3.82 0.86 10.12 1.02 -0.34 -5.04 119.74 132.45 2wdj s LYS 76 Ca 0.04 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.50 2wdj s LYS 76 Cb -0.13 -3.22 0.11 0.00 -0.52 0.00 0.00 37.83 34.07 2wdj s LYS 76 CO -0.07 0.10 1.09 0.00 -0.92 0.00 0.00 175.35 175.55 2wdj s ALA 77 N 0.83 1.78 -0.93 5.17 0.00 -1.26 -3.59 121.76 123.76 2wdj s ALA 77 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.90 2wdj s ALA 77 Cb -0.14 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2wdj s ALA 77 CO 0.02 -2.15 0.09 1.63 0.00 0.00 0.00 175.76 175.35 2wdj n LYS 78 N -3.74 -0.87 0.00 0.00 5.02 -1.26 -4.58 118.16 112.73 2wdj n LYS 78 Ca 0.07 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2wdj n LYS 78 Cb 0.55 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2wdj n LYS 78 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2wdj n VAL 79 N -3.32 0.00 -1.18 -0.18 3.14 -1.26 -5.02 118.33 110.51 2wdj n VAL 79 Ca -0.18 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.14 2wdj n VAL 79 Cb 0.42 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.17 2wdj n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wdj n GLN 80 N 0.00 -0.87 -2.86 1.45 1.13 -1.26 -4.95 117.38 110.02 2wdj n GLN 80 Ca 0.00 0.62 -0.43 0.00 -1.94 0.00 0.00 57.00 55.25 2wdj n GLN 80 Cb 0.12 -4.51 -0.03 0.00 0.11 0.00 0.00 30.24 25.93 2wdj n GLN 80 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2wdj s TYR 81 N -2.02 2.79 0.04 1.08 6.14 -1.24 -4.98 117.35 119.16 2wdj s TYR 81 Ca 0.00 -0.81 0.08 0.00 0.64 0.00 0.00 57.07 56.99 2wdj s TYR 81 Cb 0.00 -4.32 -0.03 0.00 0.42 0.00 0.00 41.96 38.04 2wdj s TYR 81 CO 0.00 -1.62 -0.24 1.03 0.64 0.00 0.00 175.55 175.36 2wdj s ARG 82 N 3.73 1.64 -0.12 4.97 3.00 -1.26 -1.20 118.95 129.71 2wdj s ARG 82 Ca 0.27 -1.03 -0.08 0.00 0.00 0.00 0.00 55.73 54.88 2wdj s ARG 82 Cb -0.12 -1.78 0.04 0.00 0.00 0.00 0.00 34.95 33.09 2wdj s ARG 82 CO 0.03 0.46 0.29 1.03 0.00 0.00 0.00 175.30 177.12 2wdj s ARG 83 N -1.18 0.30 -0.15 3.54 1.81 -0.60 -5.00 118.95 117.68 2wdj s ARG 83 Ca 0.10 0.50 -0.00 0.00 -1.72 0.00 0.00 55.73 54.61 2wdj s ARG 83 Cb -0.09 0.05 0.03 0.00 -0.45 0.00 0.00 34.95 34.48 2wdj s ARG 83 CO 0.02 -0.10 -0.07 0.21 -0.68 0.00 0.00 175.30 174.68 2wdj s LYS 84 N 0.69 1.60 -0.02 3.54 2.20 -1.26 -0.83 119.74 125.66 2wdj s LYS 84 Ca -0.04 -0.44 0.08 0.00 -0.36 0.00 0.00 55.97 55.20 2wdj s LYS 84 Cb -0.06 -1.88 -0.02 0.00 -1.51 0.00 0.00 37.83 34.36 2wdj s LYS 84 CO -0.04 -0.35 -0.25 0.21 -0.36 0.00 0.00 175.35 174.56 2wdj s LYS 85 N 1.63 2.04 -0.15 4.03 2.47 0.34 -4.99 119.74 125.11 2wdj s LYS 85 Ca 0.03 -0.90 -0.05 0.00 -1.56 0.00 0.00 55.97 53.49 2wdj s LYS 85 Cb -0.14 -1.98 -0.03 0.00 -1.46 0.00 0.00 37.83 34.22 2wdj s LYS 85 CO -0.08 0.54 0.02 0.20 0.16 0.00 0.00 175.35 176.19 2wdj s GLY 86 N -0.59 1.84 0.04 5.54 0.00 -1.26 -0.24 107.32 112.65 2wdj s GLY 86 Ca 0.10 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 44.07 2wdj s GLY 86 CO -0.01 -0.13 -0.11 -1.58 0.00 0.00 0.00 173.10 171.27 2wdj s HIS 87 N 0.06 0.91 -0.28 1.90 2.46 0.19 -4.94 115.29 115.59 2wdj s HIS 87 Ca 0.03 -0.40 -0.01 0.00 0.47 0.00 0.00 55.06 55.15 2wdj s HIS 87 Cb -0.13 -0.54 0.17 0.00 -0.13 0.00 0.00 32.58 31.96 2wdj s HIS 87 CO 0.02 -0.01 0.53 1.03 -2.47 0.00 0.00 174.74 173.84 2wdj s ARG 88 N -1.32 0.50 0.33 2.88 0.52 -1.26 0.25 118.95 120.85 2wdj s ARG 88 Ca -0.04 0.83 -0.28 0.00 -0.52 0.00 0.00 55.73 55.73 2wdj s ARG 88 Cb -0.08 0.24 -0.09 0.00 0.52 0.00 0.00 34.95 35.53 2wdj s ARG 88 CO 0.01 -0.66 1.12 -0.65 0.02 0.00 0.00 175.30 175.14 2wdj s GLN 89 N 2.76 4.43 -0.23 3.54 -1.52 -1.26 -4.68 119.66 122.70 2wdj s GLN 89 Ca 0.18 1.80 -0.20 0.00 -1.95 0.00 0.00 55.36 55.18 2wdj s GLN 89 Cb -0.15 -2.98 -0.02 0.00 -0.22 0.00 0.00 33.01 29.64 2wdj s GLN 89 CO -0.20 0.02 0.61 -1.25 -0.25 0.00 0.00 175.29 174.22 2wdj s PRO 90 N -1.81 4.15 0.07 2.91 0.04 -1.26 -0.49 135.00 138.60 2wdj s PRO 90 Ca 0.49 0.54 0.01 0.00 0.04 0.00 0.00 61.00 62.09 2wdj s PRO 90 Cb -0.31 -3.62 0.01 0.00 0.04 0.00 0.00 34.50 30.62 2wdj s PRO 90 CO 0.39 -0.33 0.09 2.48 0.04 0.00 0.00 177.00 179.67 2wdj n TYR 91 N 5.41 -2.82 -3.31 0.56 0.18 0.24 -2.91 117.16 114.52 2wdj n TYR 91 Ca -0.01 -0.25 -0.10 0.00 1.88 0.00 0.00 57.90 59.42 2wdj n TYR 91 Cb 0.49 -0.06 -0.06 0.00 -0.38 0.00 0.00 39.34 39.33 2wdj n TYR 91 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2wdj s THR 92 N 0.52 -0.59 0.32 -3.48 -4.23 -1.26 -2.97 115.64 103.94 2wdj s THR 92 Ca 0.07 -0.48 -0.29 0.00 -1.18 0.00 0.00 61.69 59.80 2wdj s THR 92 Cb -0.01 -0.71 -0.11 0.00 1.34 0.00 0.00 72.50 73.01 2wdj s THR 92 CO 0.04 -0.34 1.51 -1.61 -0.54 0.00 0.00 174.62 173.68 2wdj s GLU 93 N 2.04 4.16 0.24 3.99 2.02 -0.76 -3.33 118.70 127.06 2wdj s GLU 93 Ca 0.13 2.50 0.03 0.00 0.02 0.00 0.00 54.97 57.64 2wdj s GLU 93 Cb -0.12 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.03 2wdj s GLU 93 CO -0.17 -0.52 0.03 -0.51 0.02 0.00 0.00 175.26 174.10 2wdj s LEU 94 N -1.10 2.03 -0.24 1.80 1.43 -1.21 -1.63 118.68 119.76 2wdj s LEU 94 Ca 0.58 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2wdj s LEU 94 Cb -0.46 -0.17 0.08 0.00 0.03 0.00 0.00 46.19 45.67 2wdj s LEU 94 CO 0.52 -0.59 0.08 -0.22 0.23 0.00 0.00 176.35 176.37 2wdj s LEU 95 N -3.30 1.30 0.18 1.79 0.20 -0.65 -4.25 118.68 113.95 2wdj s LEU 95 Ca 0.31 -1.13 -0.32 0.00 0.69 0.00 0.00 54.13 53.68 2wdj s LEU 95 Cb 0.07 -0.60 -0.11 0.00 -0.43 0.00 0.00 46.19 45.12 2wdj s LEU 95 CO 0.10 -0.37 1.65 -0.63 -0.29 0.00 0.00 176.35 176.81 2wdj s ILE 96 N 1.86 2.38 0.00 6.68 -1.09 -1.26 -1.59 121.20 128.18 2wdj s ILE 96 Ca 0.04 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 2wdj s ILE 96 Cb -0.17 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2wdj s ILE 96 CO -0.19 0.02 0.00 0.29 -1.23 0.00 0.00 174.94 173.83 2wdj n LYS 97 N 4.16 0.00 -4.15 2.79 4.76 0.28 -3.41 118.16 122.59 2wdj n LYS 97 Ca 0.15 0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.44 2wdj n LYS 97 Cb 0.37 -0.13 -0.12 0.00 -1.84 0.00 0.00 35.03 33.31 2wdj n LYS 97 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wdj s GLU 98 N -0.09 0.67 -0.39 1.97 -1.05 -1.21 -4.68 118.70 113.92 2wdj s GLU 98 Ca 0.00 -0.76 -0.12 0.00 -0.15 0.00 0.00 54.97 53.94 2wdj s GLU 98 Cb 0.00 -0.57 0.03 0.00 -0.44 0.00 0.00 34.13 33.15 2wdj s GLU 98 CO 0.00 0.13 0.23 0.96 0.95 0.00 0.00 175.26 177.53 2wdj s ILE 99 N -1.14 4.72 -0.29 1.83 -0.00 -1.26 -1.43 121.20 123.63 2wdj s ILE 99 Ca -0.05 -0.85 0.01 0.00 -0.00 0.00 0.00 60.65 59.77 2wdj s ILE 99 Cb -0.09 -3.65 0.08 0.00 -0.00 0.00 0.00 42.46 38.80 2wdj s ILE 99 CO 0.01 -0.27 0.03 0.00 -0.00 0.00 0.00 174.94 174.71 2wdj s ARG 100 N 1.58 1.25 0.00 0.37 1.70 -0.54 -5.03 118.95 118.28 2wdj s ARG 100 Ca 0.03 -1.23 0.00 0.00 -0.47 0.00 0.00 55.73 54.05 2wdj s ARG 100 Cb -0.19 -2.54 0.00 0.00 -0.57 0.00 0.00 34.95 31.65 2wdj s ARG 100 CO 0.07 -0.82 0.00 0.41 -1.08 0.00 0.00 175.30 173.88