#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj n LEU 2 N 0.00 0.00 -4.54 -0.89 7.94 -1.26 -5.03 117.00 113.22 2wdj n LEU 2 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 2wdj n LEU 2 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 2wdj n LEU 2 CO 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 177.39 175.85 2wdj s MET 3 N 0.00 2.31 -0.84 1.96 0.23 -1.26 -4.63 119.30 117.07 2wdj s MET 3 Ca 0.00 -0.86 -0.26 0.00 -1.03 0.00 0.00 55.69 53.54 2wdj s MET 3 Cb 0.00 -2.35 -0.14 0.00 -1.53 0.00 0.00 34.83 30.80 2wdj s MET 3 CO 0.00 0.56 2.33 -1.25 -2.03 0.00 0.00 175.02 174.64 2wdj s PRO 4 N -1.54 1.62 0.00 3.16 0.04 -1.26 -4.78 135.00 132.24 2wdj s PRO 4 Ca 0.17 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2wdj s PRO 4 Cb -0.11 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.59 2wdj s PRO 4 CO 0.08 -4.52 0.00 2.89 0.04 0.00 0.00 177.00 175.49 2wdj n ARG 5 N 8.73 0.00 -0.54 4.56 1.85 -1.26 -3.11 116.66 126.90 2wdj n ARG 5 Ca 0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 57.29 2wdj n ARG 5 Cb 0.44 -0.62 -0.02 0.00 -1.05 0.00 0.00 32.46 31.20 2wdj n ARG 5 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wdj n ARG 6 N 0.14 0.00 -0.92 2.89 5.12 -1.26 -5.16 116.66 117.46 2wdj n ARG 6 Ca 0.00 -0.28 -0.30 0.00 -1.93 0.00 0.00 57.85 55.34 2wdj n ARG 6 Cb 0.00 0.32 0.01 0.00 -1.16 0.00 0.00 32.46 31.63 2wdj n ARG 6 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2wdj n MET 7 N 0.00 0.00 -0.04 5.56 2.81 -1.18 -4.91 117.12 119.36 2wdj n MET 7 Ca -0.08 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.68 2wdj n MET 7 Cb 0.37 -0.78 -0.11 0.00 -0.71 0.00 0.00 33.22 31.99 2wdj n MET 7 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2wdj h LYS 8 N -0.23 -0.02 -6.29 0.03 1.57 -2.00 -3.45 116.57 106.17 2wdj h LYS 8 Ca -0.33 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.77 2wdj h LYS 8 Cb 1.10 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.20 2wdj h LYS 8 CO 0.28 0.70 -0.74 0.71 -0.57 0.00 0.00 179.45 179.84 2wdj s TYR 9 N -3.17 2.78 0.01 -1.35 4.12 -1.26 -5.07 117.35 113.41 2wdj s TYR 9 Ca -0.17 -0.10 -0.24 0.00 0.02 0.00 0.00 57.07 56.58 2wdj s TYR 9 Cb -0.01 -1.63 -0.13 0.00 -1.52 0.00 0.00 41.96 38.67 2wdj s TYR 9 CO 0.66 0.26 1.07 -0.09 0.02 0.00 0.00 175.55 177.47 2wdj h ARG 10 N 5.10 -0.84 -6.39 -0.62 2.43 -2.01 -3.45 114.38 108.60 2wdj h ARG 10 Ca -0.48 0.06 -0.67 0.00 -0.81 0.00 0.00 59.98 58.09 2wdj h ARG 10 Cb 1.16 0.19 -0.15 0.00 -0.42 0.00 0.00 29.97 30.75 2wdj h ARG 10 CO 0.51 -0.56 -0.70 0.15 -1.51 0.00 0.00 179.97 177.86 2wdj s LYS 11 N -4.47 2.41 0.08 0.20 1.02 -1.26 -4.83 119.74 112.89 2wdj s LYS 11 Ca -0.13 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.03 2wdj s LYS 11 Cb 0.01 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 2wdj s LYS 11 CO 0.38 0.55 -0.07 1.14 -0.92 0.00 0.00 175.35 176.43 2wdj s GLN 12 N -1.92 0.73 1.04 1.68 -2.07 -1.26 -5.08 119.66 112.78 2wdj s GLN 12 Ca 0.21 -1.12 -0.11 0.00 -1.82 0.00 0.00 55.36 52.52 2wdj s GLN 12 Cb -0.11 -0.27 0.22 0.00 -1.09 0.00 0.00 33.01 31.75 2wdj s GLN 12 CO 0.12 0.02 1.08 -0.65 -1.32 0.00 0.00 175.29 174.55 2wdj s GLN 13 N -2.93 0.00 -0.13 9.60 -0.21 -1.26 -4.89 119.66 119.83 2wdj s GLN 13 Ca 0.04 1.19 -0.19 0.00 0.02 0.00 0.00 55.36 56.41 2wdj s GLN 13 Cb -0.01 -1.64 -0.17 0.00 1.00 0.00 0.00 33.01 32.20 2wdj s GLN 13 CO -0.02 -3.21 0.45 0.00 -2.12 0.00 0.00 175.29 170.39 2wdj h ARG 14 N -2.27 0.00 -4.01 2.91 3.08 -2.01 -3.49 114.38 108.59 2wdj h ARG 14 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2wdj h ARG 14 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2wdj h ARG 14 CO 0.46 0.66 -0.96 0.41 -1.07 0.00 0.00 179.97 179.47 2wdj n GLY 15 N 1.64 -4.64 3.90 0.04 0.00 -1.26 -4.98 105.19 99.90 2wdj n GLY 15 Ca -0.09 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 2wdj n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdj s ARG 16 N -3.44 0.80 -0.01 1.61 3.52 -1.26 -5.10 118.95 115.07 2wdj s ARG 16 Ca 0.00 -0.27 0.05 0.00 -0.13 0.00 0.00 55.73 55.38 2wdj s ARG 16 Cb 0.00 -1.85 -0.01 0.00 -1.56 0.00 0.00 34.95 31.53 2wdj s ARG 16 CO 0.00 -2.33 -0.16 -0.51 -0.81 0.00 0.00 175.30 171.49 2wdj s LEU 17 N -5.90 2.02 0.36 -0.88 1.43 -1.26 -5.16 118.68 109.31 2wdj s LEU 17 Ca 0.71 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.60 2wdj s LEU 17 Cb -0.06 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 2wdj s LEU 17 CO 0.52 0.20 0.23 -0.54 0.23 0.00 0.00 176.35 176.99 2wdj s LYS 18 N -0.36 2.46 0.00 1.70 -0.14 -1.26 -5.13 119.74 117.01 2wdj s LYS 18 Ca 0.06 -1.53 0.00 0.00 -1.36 0.00 0.00 55.97 53.14 2wdj s LYS 18 Cb -0.06 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 2wdj s LYS 18 CO -0.01 0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.01 2wdj n GLY 19 N -1.29 -3.51 7.00 -3.33 0.00 -1.26 -4.78 105.19 98.02 2wdj n GLY 19 Ca -0.01 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2wdj n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdj n ALA 20 N -3.00 0.00 -3.61 4.61 0.00 -1.26 -4.87 120.51 112.38 2wdj n ALA 20 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2wdj n ALA 20 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2wdj n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wdj s THR 21 N 0.00 0.00 -1.86 0.00 2.01 -1.26 -3.80 115.64 110.73 2wdj s THR 21 Ca 0.00 0.00 0.20 0.00 0.31 0.00 0.00 61.69 62.20 2wdj s THR 21 Cb 0.00 -1.00 0.51 0.00 0.01 0.00 0.00 72.50 72.02 2wdj s THR 21 CO 0.00 0.00 1.57 0.29 -0.69 0.00 0.00 174.62 175.79 2wdj n LYS 22 N 1.43 0.53 -0.85 4.92 5.02 -1.26 -4.94 118.16 123.02 2wdj n LYS 22 Ca -0.11 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2wdj n LYS 22 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 2wdj n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdj n GLY 23 N 0.26 0.43 1.10 0.72 0.00 -1.26 -5.07 105.19 101.37 2wdj n GLY 23 Ca 0.13 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2wdj n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLY 24 N -0.34 0.73 0.41 -0.02 0.00 -1.26 -4.63 105.19 100.08 2wdj n GLY 24 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.57 2wdj n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdj n ASP 25 N 0.31 2.81 -3.89 1.61 5.75 -1.26 0.75 116.55 122.63 2wdj n ASP 25 Ca 0.00 -2.52 -0.14 0.00 -0.01 0.00 0.00 54.79 52.11 2wdj n ASP 25 Cb 0.43 -0.30 -0.15 0.00 -1.03 0.00 0.00 41.12 40.07 2wdj n ASP 25 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2wdj s TYR 26 N -1.92 0.22 0.16 2.11 -0.85 -1.26 -4.95 117.35 110.85 2wdj s TYR 26 Ca 0.25 -0.03 -0.23 0.00 -0.52 0.00 0.00 57.07 56.54 2wdj s TYR 26 Cb 0.19 -0.18 0.04 0.00 0.38 0.00 0.00 41.96 42.39 2wdj s TYR 26 CO 0.07 -0.02 1.61 0.28 -1.52 0.00 0.00 175.55 175.96 2wdj h VAL 27 N 5.30 0.28 0.00 -3.49 2.07 -1.93 -3.45 116.25 115.03 2wdj h VAL 27 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2wdj h VAL 27 Cb 1.19 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2wdj h VAL 27 CO 0.50 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.09 2wdj n ALA 28 N -2.93 0.00 0.02 1.67 0.00 -1.26 -4.25 120.51 113.77 2wdj n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdj n ALA 28 Cb 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2wdj n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wdj n PHE 29 N -1.43 -0.39 -3.29 0.00 3.01 -1.26 -5.15 117.46 108.96 2wdj n PHE 29 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2wdj n PHE 29 Cb 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 2wdj n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wdj n GLY 30 N 1.78 2.70 0.10 1.37 0.00 -1.26 -4.91 105.19 104.97 2wdj n GLY 30 Ca 0.00 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.68 2wdj n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wdj h ASP 31 N 0.00 0.07 -3.68 1.61 3.32 -1.57 -3.48 116.42 112.69 2wdj h ASP 31 Ca 0.00 -0.73 -0.56 0.00 0.02 0.00 0.00 57.03 55.76 2wdj h ASP 31 Cb 0.00 -0.02 -0.19 0.00 0.22 0.00 0.00 39.33 39.33 2wdj h ASP 31 CO 0.00 1.36 -0.81 -0.31 -1.72 0.00 0.00 179.24 177.77 2wdj s TYR 32 N -2.34 1.92 0.22 4.55 1.51 -1.02 -4.27 117.35 117.92 2wdj s TYR 32 Ca -0.24 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.38 2wdj s TYR 32 Cb 0.03 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 2wdj s TYR 32 CO 0.65 0.33 0.17 0.20 -1.11 0.00 0.00 175.55 175.79 2wdj s GLY 33 N -2.43 1.47 -0.29 0.71 0.00 -1.08 -1.04 107.32 104.65 2wdj s GLY 33 Ca 0.14 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.18 2wdj s GLY 33 CO 0.06 -1.35 -0.03 -2.27 0.00 0.00 0.00 173.10 169.51 2wdj s LEU 34 N -3.17 3.83 0.20 0.66 2.96 0.21 -2.08 118.68 121.29 2wdj s LEU 34 Ca 0.38 -1.43 -0.05 0.00 -0.22 0.00 0.00 54.13 52.82 2wdj s LEU 34 Cb 0.06 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 45.05 2wdj s LEU 34 CO 0.13 -0.25 0.44 0.54 -1.32 0.00 0.00 176.35 175.90 2wdj s VAL 35 N 1.16 5.10 -0.18 1.68 0.11 -0.52 -0.80 120.40 126.96 2wdj s VAL 35 Ca -0.05 0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 2wdj s VAL 35 Cb -0.20 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 30.94 2wdj s VAL 35 CO -0.03 -0.10 0.15 0.00 -3.33 0.00 0.00 175.10 171.79 2wdj s ALA 36 N -1.81 3.72 -0.10 1.54 0.00 0.05 -1.59 121.76 123.57 2wdj s ALA 36 Ca 0.42 -0.65 0.16 0.00 0.00 0.00 0.00 51.96 51.89 2wdj s ALA 36 Cb -0.11 -2.15 -0.17 0.00 0.00 0.00 0.00 23.12 20.68 2wdj s ALA 36 CO 0.26 0.26 0.75 1.28 0.00 0.00 0.00 175.76 178.30 2wdj n LEU 37 N 3.17 0.83 -4.27 0.00 4.77 -0.31 -0.28 117.00 120.90 2wdj n LEU 37 Ca -0.16 0.38 -0.22 0.00 -0.03 0.00 0.00 56.01 55.98 2wdj n LEU 37 Cb 0.53 0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 41.61 2wdj n LEU 37 CO 0.36 0.23 -0.49 -1.83 -1.33 0.00 0.00 177.39 174.33 2wdj s GLU 38 N -2.81 1.09 0.41 3.23 -1.05 -1.25 -4.57 118.70 113.75 2wdj s GLU 38 Ca -0.04 -1.19 -0.22 0.00 -0.15 0.00 0.00 54.97 53.37 2wdj s GLU 38 Cb 0.08 -1.21 -0.10 0.00 -0.44 0.00 0.00 34.13 32.46 2wdj s GLU 38 CO 0.82 0.27 0.97 -1.25 0.95 0.00 0.00 175.26 177.01 2wdj s PRO 39 N -2.19 4.26 0.00 -4.83 0.04 -1.25 -4.42 135.00 126.61 2wdj s PRO 39 Ca 0.07 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2wdj s PRO 39 Cb -0.08 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2wdj s PRO 39 CO 0.04 -0.01 0.00 0.00 0.04 0.00 0.00 177.00 177.07 2wdj n ALA 40 N -0.35 0.00 -2.61 8.56 0.00 0.20 -4.98 120.51 121.32 2wdj n ALA 40 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 2wdj n ALA 40 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 2wdj n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wdj s TRP 41 N -2.00 3.17 -0.37 0.00 0.51 -1.26 -1.83 118.94 117.16 2wdj s TRP 41 Ca 0.00 0.86 -0.15 0.00 -2.12 0.00 0.00 56.10 54.70 2wdj s TRP 41 Cb 0.00 -3.38 -0.00 0.00 -0.81 0.00 0.00 33.47 29.28 2wdj s TRP 41 CO 0.00 -0.65 0.33 0.42 -0.51 0.00 0.00 176.95 176.53 2wdj s ILE 42 N 3.17 5.21 0.60 2.03 1.09 0.75 -4.89 121.20 129.15 2wdj s ILE 42 Ca 0.36 -0.24 -0.18 0.00 -1.10 0.00 0.00 60.65 59.49 2wdj s ILE 42 Cb -0.13 -3.85 -0.03 0.00 -1.06 0.00 0.00 42.46 37.39 2wdj s ILE 42 CO 0.14 -0.16 1.18 0.42 -0.10 0.00 0.00 174.94 176.41 2wdj s THR 43 N 1.88 2.80 0.54 2.92 -4.23 -1.26 -0.41 115.64 117.89 2wdj s THR 43 Ca 0.09 0.48 0.28 0.00 -1.18 0.00 0.00 61.69 61.36 2wdj s THR 43 Cb -0.17 -3.15 0.33 0.00 1.34 0.00 0.00 72.50 70.85 2wdj s THR 43 CO 0.11 -0.13 2.20 0.00 -0.54 0.00 0.00 174.62 176.26 2wdj h ALA 44 N 0.78 1.47 -0.35 3.99 0.00 -1.88 -1.14 119.26 122.12 2wdj h ALA 44 Ca -0.50 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 2wdj h ALA 44 Cb 1.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2wdj h ALA 44 CO 0.55 0.05 -0.05 1.96 0.00 0.00 0.00 179.25 181.75 2wdj h GLN 45 N 0.00 0.65 0.19 0.00 1.08 -1.91 -1.25 115.11 113.87 2wdj h GLN 45 Ca -0.00 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2wdj h GLN 45 Cb 0.10 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2wdj h GLN 45 CO 0.01 0.80 -0.13 1.96 -0.95 0.00 0.00 178.83 180.51 2wdj h GLN 46 N 0.45 -0.31 0.00 1.46 4.20 -1.55 -1.10 115.11 118.26 2wdj h GLN 46 Ca 0.09 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2wdj h GLN 46 Cb 0.54 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2wdj h GLN 46 CO 0.03 -0.21 0.00 -0.89 -0.67 0.00 0.00 178.83 177.09 2wdj n ILE 47 N -5.25 0.00 0.10 2.54 5.41 -0.80 -0.68 119.36 120.68 2wdj n ILE 47 Ca -0.08 0.96 0.01 0.00 1.00 0.00 0.00 62.75 64.64 2wdj n ILE 47 Cb 0.17 -1.69 0.07 0.00 -0.71 0.00 0.00 39.64 37.48 2wdj n ILE 47 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2wdj n GLU 48 N -0.71 0.02 -0.05 0.38 4.07 -0.49 0.72 120.64 124.59 2wdj n GLU 48 Ca 0.00 0.34 -0.15 0.00 -0.06 0.00 0.00 57.16 57.29 2wdj n GLU 48 Cb 0.00 -2.08 -0.14 0.00 -0.06 0.00 0.00 31.44 29.16 2wdj n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wdj n ALA 49 N -1.25 1.28 0.68 4.31 0.00 -0.42 -2.72 120.51 122.39 2wdj n ALA 49 Ca -0.00 -0.89 0.13 0.00 0.00 0.00 0.00 53.44 52.68 2wdj n ALA 49 Cb 0.52 -0.51 0.44 0.00 0.00 0.00 0.00 19.45 19.90 2wdj n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdj n ALA 50 N -2.89 2.26 0.01 0.00 0.00 0.22 -2.36 120.51 117.75 2wdj n ALA 50 Ca -0.31 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 2wdj n ALA 50 Cb 1.06 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 2wdj n ALA 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wdj h ARG 51 N 0.00 0.26 -0.04 0.00 2.43 -1.30 -3.14 114.38 112.59 2wdj h ARG 51 Ca 0.00 -0.44 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2wdj h ARG 51 Cb 0.68 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2wdj h ARG 51 CO 0.00 1.21 -0.05 0.28 -1.51 0.00 0.00 179.97 179.91 2wdj h VAL 52 N -0.16 1.06 0.36 0.20 2.07 -1.46 -0.68 116.25 117.65 2wdj h VAL 52 Ca -0.36 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2wdj h VAL 52 Cb 1.88 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 2wdj h VAL 52 CO 0.07 0.08 -0.39 0.00 0.02 0.00 0.00 177.57 177.35 2wdj h ALA 53 N 1.89 -0.83 -2.52 1.67 0.00 -1.51 0.31 119.26 118.27 2wdj h ALA 53 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wdj h ALA 53 Cb 0.13 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2wdj h ALA 53 CO 0.01 -1.01 0.00 -1.33 0.00 0.00 0.00 179.25 176.92 2wdj n MET 54 N -5.48 0.00 -0.49 0.00 2.00 -0.31 -0.02 117.12 112.81 2wdj n MET 54 Ca -0.10 0.39 0.41 0.00 0.00 0.00 0.00 57.70 58.40 2wdj n MET 54 Cb 0.39 -1.08 0.73 0.00 0.00 0.00 0.00 33.22 33.26 2wdj n MET 54 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2wdj h VAL 55 N 0.00 0.21 0.23 2.03 3.04 -1.46 -0.41 116.25 119.90 2wdj h VAL 55 Ca 0.00 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.66 2wdj h VAL 55 Cb 0.00 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.43 2wdj h VAL 55 CO 0.00 0.01 -0.11 0.03 -1.01 0.00 0.00 177.57 176.49 2wdj h ARG 56 N 0.05 -0.30 0.00 4.17 2.47 0.52 -2.44 114.38 118.85 2wdj h ARG 56 Ca 0.76 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.50 2wdj h ARG 56 Cb 2.81 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 31.20 2wdj h ARG 56 CO -0.13 0.07 0.00 1.58 0.56 0.00 0.00 179.97 182.05 2wdj n HIS 57 N -5.01 0.00 -1.64 3.04 -0.00 0.97 -2.04 115.22 110.54 2wdj n HIS 57 Ca -0.08 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.75 2wdj n HIS 57 Cb 0.26 -0.05 -0.04 0.00 -0.12 0.00 0.00 29.99 30.04 2wdj n HIS 57 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 2wdj n PHE 58 N -0.95 2.11 -1.43 1.57 1.16 -1.09 -4.92 117.46 113.92 2wdj n PHE 58 Ca 0.00 -2.59 -0.35 0.00 -1.87 0.00 0.00 57.45 52.64 2wdj n PHE 58 Cb 0.00 -1.88 -0.16 0.00 -1.61 0.00 0.00 39.48 35.82 2wdj n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wdj n ARG 59 N 2.08 0.00 0.00 3.97 1.85 -0.87 0.89 116.66 124.58 2wdj n ARG 59 Ca 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.47 2wdj n ARG 59 Cb 0.37 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 2wdj n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wdj n ARG 60 N 7.44 0.00 -0.28 2.89 1.74 -1.25 -5.05 116.66 122.15 2wdj n ARG 60 Ca 0.63 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.64 2wdj n ARG 60 Cb 0.05 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.55 2wdj n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdj n GLY 61 N -1.41 -2.35 0.00 -0.13 0.00 0.26 -5.04 105.19 96.52 2wdj n GLY 61 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2wdj n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLY 62 N 1.04 -2.60 3.80 -0.02 0.00 -1.24 -4.94 105.19 101.22 2wdj n GLY 62 Ca 0.04 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 2wdj n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdj s LYS 63 N 0.00 4.37 -0.21 1.61 2.20 -1.16 -4.90 119.74 121.65 2wdj s LYS 63 Ca 0.00 1.12 -0.04 0.00 -0.36 0.00 0.00 55.97 56.69 2wdj s LYS 63 Cb 0.00 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 2wdj s LYS 63 CO 0.00 0.21 -0.04 0.42 -0.36 0.00 0.00 175.35 175.58 2wdj s ILE 64 N -1.78 3.47 -0.22 5.43 1.01 -1.26 -1.92 121.20 125.93 2wdj s ILE 64 Ca 0.52 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.55 2wdj s ILE 64 Cb -0.15 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 2wdj s ILE 64 CO 0.20 0.43 0.39 -0.36 0.00 0.00 0.00 174.94 175.60 2wdj s PHE 65 N 1.32 3.33 -0.33 3.97 0.08 0.19 -4.98 117.98 121.56 2wdj s PHE 65 Ca 0.04 0.55 -0.07 0.00 0.12 0.00 0.00 56.93 57.58 2wdj s PHE 65 Cb -0.14 -2.54 0.04 0.00 -0.57 0.00 0.00 43.02 39.80 2wdj s PHE 65 CO -0.02 -0.08 0.11 0.96 -0.10 0.00 0.00 175.22 176.09 2wdj s ILE 66 N 1.56 3.84 -0.40 0.64 -4.36 -1.26 -1.25 121.20 119.96 2wdj s ILE 66 Ca 0.18 -1.06 0.05 0.00 -0.26 0.00 0.00 60.65 59.56 2wdj s ILE 66 Cb -0.15 -3.15 0.62 0.00 1.25 0.00 0.00 42.46 41.03 2wdj s ILE 66 CO 0.08 -0.15 1.78 0.54 0.24 0.00 0.00 174.94 177.44 2wdj n ARG 67 N 4.83 2.12 -4.03 0.37 1.74 0.13 -4.94 116.66 116.87 2wdj n ARG 67 Ca -0.13 -3.07 -0.11 0.00 -0.77 0.00 0.00 57.85 53.77 2wdj n ARG 67 Cb 0.45 -2.07 -0.11 0.00 -1.02 0.00 0.00 32.46 29.71 2wdj n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2wdj s ILE 68 N -3.29 0.34 -0.02 0.55 -4.36 -1.26 -4.84 121.20 108.32 2wdj s ILE 68 Ca 0.53 -1.07 0.00 0.00 -0.26 0.00 0.00 60.65 59.86 2wdj s ILE 68 Cb 0.46 -0.53 0.03 0.00 1.25 0.00 0.00 42.46 43.66 2wdj s ILE 68 CO 0.07 -0.48 0.02 0.12 0.24 0.00 0.00 174.94 174.91 2wdj s PHE 69 N -1.61 0.14 -0.84 1.37 5.36 -1.26 -5.07 117.98 116.08 2wdj s PHE 69 Ca -0.11 0.07 -0.25 0.00 -0.96 0.00 0.00 56.93 55.68 2wdj s PHE 69 Cb -0.09 -0.29 0.05 0.00 -0.34 0.00 0.00 43.02 42.36 2wdj s PHE 69 CO -0.01 -0.10 1.29 -1.25 -1.46 0.00 0.00 175.22 173.70 2wdj s PRO 70 N 0.95 3.34 -0.04 10.12 0.04 -1.26 -4.26 135.00 143.90 2wdj s PRO 70 Ca -0.09 -0.70 0.12 0.00 0.04 0.00 0.00 61.00 60.38 2wdj s PRO 70 Cb -0.12 -4.63 -0.18 0.00 0.04 0.00 0.00 34.50 29.61 2wdj s PRO 70 CO -0.02 -2.11 0.22 -0.40 0.04 0.00 0.00 177.00 174.73 2wdj n ASP 71 N 8.86 2.17 -4.69 6.66 5.75 -0.81 -4.02 116.55 130.47 2wdj n ASP 71 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.49 2wdj n ASP 71 Cb 0.49 1.40 -0.03 0.00 -1.03 0.00 0.00 41.12 41.95 2wdj n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wdj s LYS 72 N -2.73 4.40 -0.01 0.11 2.20 -0.95 -4.86 119.74 117.90 2wdj s LYS 72 Ca -0.05 1.53 -0.29 0.00 -0.36 0.00 0.00 55.97 56.80 2wdj s LYS 72 Cb 0.07 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 2wdj s LYS 72 CO 0.50 -0.36 0.95 -2.14 -0.36 0.00 0.00 175.35 173.95 2wdj s PRO 73 N 2.04 4.55 -0.03 4.03 0.02 -1.26 0.67 135.00 145.02 2wdj s PRO 73 Ca 0.52 1.37 -0.19 0.00 0.02 0.00 0.00 61.00 62.72 2wdj s PRO 73 Cb -0.22 -3.46 -0.05 0.00 0.02 0.00 0.00 34.50 30.80 2wdj s PRO 73 CO 0.20 -0.04 0.54 -0.47 -0.33 0.00 0.00 177.00 176.90 2wdj s TYR 74 N 0.98 3.65 -0.06 6.54 5.04 0.59 -4.62 117.35 129.47 2wdj s TYR 74 Ca 0.51 1.09 0.05 0.00 -2.44 0.00 0.00 57.07 56.28 2wdj s TYR 74 Cb -0.21 -2.54 -0.01 0.00 0.35 0.00 0.00 41.96 39.56 2wdj s TYR 74 CO 0.27 0.36 -0.21 0.99 -1.34 0.00 0.00 175.55 175.62 2wdj s THR 75 N -0.14 1.77 -0.10 4.34 2.01 -1.26 0.12 115.64 122.37 2wdj s THR 75 Ca 0.29 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 2wdj s THR 75 Cb -0.17 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 70.85 2wdj s THR 75 CO 0.15 0.50 0.29 -0.75 -0.69 0.00 0.00 174.62 174.11 2wdj s LYS 76 N 0.01 0.37 0.36 4.92 2.20 -1.06 -4.91 119.74 121.62 2wdj s LYS 76 Ca -0.06 0.34 -0.12 0.00 -0.36 0.00 0.00 55.97 55.76 2wdj s LYS 76 Cb -0.13 0.18 -0.08 0.00 -1.51 0.00 0.00 37.83 36.29 2wdj s LYS 76 CO 0.04 -0.05 0.74 0.15 -0.36 0.00 0.00 175.35 175.86 2wdj s LYS 77 N -0.00 3.88 1.02 4.03 1.02 -1.26 -2.90 119.74 125.52 2wdj s LYS 77 Ca -0.01 0.54 -0.20 0.00 0.02 0.00 0.00 55.97 56.32 2wdj s LYS 77 Cb -0.02 -2.42 -0.07 0.00 -0.52 0.00 0.00 37.83 34.79 2wdj s LYS 77 CO 0.01 0.07 -0.62 -2.30 -0.92 0.00 0.00 175.35 171.58 2wdj n PRO 78 N -0.82 -0.45 -2.50 -1.68 -0.02 -1.26 -4.85 135.00 123.42 2wdj n PRO 78 Ca 0.03 -0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 60.98 2wdj n PRO 78 Cb 0.54 -1.33 -0.04 0.00 -0.02 0.00 0.00 33.50 32.65 2wdj n PRO 78 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wdj s LEU 79 N 4.05 4.51 0.00 2.45 0.20 -1.26 -3.74 118.68 124.89 2wdj s LEU 79 Ca 0.46 2.15 0.00 0.00 0.69 0.00 0.00 54.13 57.43 2wdj s LEU 79 Cb -0.08 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 2wdj s LEU 79 CO 0.71 -0.20 0.00 -0.62 -0.29 0.00 0.00 176.35 175.95 2wdj n GLU 80 N 2.00 -0.68 -1.71 1.98 1.02 -1.26 -5.02 120.64 116.98 2wdj n GLU 80 Ca 0.02 0.17 -0.31 0.00 -0.02 0.00 0.00 57.16 57.02 2wdj n GLU 80 Cb 0.46 -3.82 0.04 0.00 -0.02 0.00 0.00 31.44 28.10 2wdj n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wdj s VAL 81 N -1.83 3.98 0.42 2.62 0.11 -1.25 -5.06 120.40 119.40 2wdj s VAL 81 Ca 0.00 0.64 0.07 0.00 -2.93 0.00 0.00 61.98 59.76 2wdj s VAL 81 Cb 0.00 -3.50 0.01 0.00 -1.53 0.00 0.00 36.38 31.36 2wdj s VAL 81 CO 0.00 -0.84 0.58 0.00 -3.33 0.00 0.00 175.10 171.51 2wdj s ARG 82 N -5.16 2.85 0.97 1.54 1.70 -1.26 -5.05 118.95 114.54 2wdj s ARG 82 Ca 0.58 -1.16 -0.14 0.00 -0.47 0.00 0.00 55.73 54.54 2wdj s ARG 82 Cb -0.13 -2.74 0.01 0.00 -0.57 0.00 0.00 34.95 31.52 2wdj s ARG 82 CO 0.54 -0.26 0.20 -1.33 -1.08 0.00 0.00 175.30 173.37 2wdj n MET 83 N -1.87 -0.32 -0.02 3.89 2.81 -1.26 -4.84 117.12 115.51 2wdj n MET 83 Ca 0.07 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2wdj n MET 83 Cb 0.59 -1.72 -0.00 0.00 -0.71 0.00 0.00 33.22 31.37 2wdj n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wdj n GLY 84 N 1.81 -1.89 2.49 3.03 0.00 -1.26 -4.99 105.19 104.39 2wdj n GLY 84 Ca 0.05 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 2wdj n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdj n LYS 85 N -0.52 -3.78 0.00 1.61 4.76 -1.26 -4.87 118.16 114.10 2wdj n LYS 85 Ca 0.00 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2wdj n LYS 85 Cb 0.01 -4.11 0.00 0.00 -1.84 0.00 0.00 35.03 29.10 2wdj n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdj n GLY 86 N -1.22 -1.82 3.66 0.72 0.00 -1.26 -4.97 105.19 100.29 2wdj n GLY 86 Ca 0.00 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 2wdj n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdj s LYS 87 N 0.00 2.65 1.14 1.61 2.20 -1.26 -5.11 119.74 120.97 2wdj s LYS 87 Ca 0.00 -0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 54.74 2wdj s LYS 87 Cb 0.00 -2.58 0.22 0.00 -1.51 0.00 0.00 37.83 33.95 2wdj s LYS 87 CO 0.00 0.60 0.43 0.41 -0.36 0.00 0.00 175.35 176.43 2wdj n GLY 88 N 1.24 -2.80 3.96 5.54 0.00 -1.26 -5.01 105.19 106.86 2wdj n GLY 88 Ca -0.14 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 2wdj n GLY 88 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wdj s ASN 89 N -2.22 4.46 -0.33 1.61 -0.87 -1.14 -4.80 114.94 111.65 2wdj s ASN 89 Ca 0.48 0.09 -0.19 0.00 -1.57 0.00 0.00 52.86 51.67 2wdj s ASN 89 Cb -0.09 -0.59 -0.01 0.00 -0.02 0.00 0.00 41.25 40.54 2wdj s ASN 89 CO 0.45 -1.80 0.55 -0.69 -2.57 0.00 0.00 177.10 173.04 2wdj s VAL 90 N -3.24 4.99 -0.06 1.60 1.01 -1.26 -2.58 120.40 120.87 2wdj s VAL 90 Ca 0.64 0.57 -0.14 0.00 0.00 0.00 0.00 61.98 63.05 2wdj s VAL 90 Cb -0.08 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 2wdj s VAL 90 CO 0.45 -0.16 0.56 -0.33 0.00 0.00 0.00 175.10 175.62 2wdj h GLU 91 N 8.33 -0.31 -2.77 2.72 4.39 0.62 -3.48 114.58 124.08 2wdj h GLU 91 Ca -0.28 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.52 2wdj h GLU 91 Cb 1.12 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 2wdj h GLU 91 CO 0.77 -0.08 0.40 0.20 -1.16 0.00 0.00 179.01 179.15 2wdj s GLY 92 N -3.20 0.17 0.26 -3.84 0.00 -1.22 -4.98 107.32 94.52 2wdj s GLY 92 Ca -0.08 -0.47 0.08 0.00 0.00 0.00 0.00 44.72 44.25 2wdj s GLY 92 CO 0.26 0.69 0.08 -0.19 0.00 0.00 0.00 173.10 173.94 2wdj s TYR 93 N -2.52 2.87 0.18 1.90 1.51 -1.26 0.22 117.35 120.26 2wdj s TYR 93 Ca 0.17 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 56.04 2wdj s TYR 93 Cb -0.04 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 2wdj s TYR 93 CO 0.08 0.58 0.12 0.14 -1.11 0.00 0.00 175.55 175.36 2wdj s VAL 94 N -2.22 0.03 -0.11 0.71 -7.23 0.21 -2.75 120.40 109.04 2wdj s VAL 94 Ca 0.32 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 2wdj s VAL 94 Cb -0.07 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 2wdj s VAL 94 CO 0.22 -0.12 -0.16 0.00 -0.31 0.00 0.00 175.10 174.73 2wdj s ALA 95 N -4.13 2.49 0.05 1.32 0.00 0.46 -1.93 121.76 120.02 2wdj s ALA 95 Ca 0.35 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 51.11 2wdj s ALA 95 Cb 0.07 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 2wdj s ALA 95 CO 0.09 0.30 0.84 0.08 0.00 0.00 0.00 175.76 177.08 2wdj s VAL 96 N 0.20 4.70 -0.16 0.00 1.01 -1.26 -0.18 120.40 124.71 2wdj s VAL 96 Ca -0.10 1.80 -0.03 0.00 0.00 0.00 0.00 61.98 63.65 2wdj s VAL 96 Cb -0.16 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.08 2wdj s VAL 96 CO 0.06 0.32 0.03 -0.69 0.00 0.00 0.00 175.10 174.81 2wdj s VAL 97 N 0.15 0.46 0.29 2.92 1.01 -0.76 -4.96 120.40 119.51 2wdj s VAL 97 Ca 0.43 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2wdj s VAL 97 Cb -0.21 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2wdj s VAL 97 CO 0.25 -0.09 0.44 -0.54 0.00 0.00 0.00 175.10 175.17 2wdj s LYS 98 N 1.90 3.42 0.06 2.72 1.02 -1.26 -0.62 119.74 126.97 2wdj s LYS 98 Ca 0.01 -0.63 -0.35 0.00 0.02 0.00 0.00 55.97 55.01 2wdj s LYS 98 Cb -0.16 -2.80 -0.15 0.00 -0.52 0.00 0.00 37.83 34.21 2wdj s LYS 98 CO -0.07 0.28 1.56 -2.30 -0.92 0.00 0.00 175.35 173.90 2wdj n PRO 99 N -1.58 1.72 0.00 -1.68 -0.02 -1.25 -2.54 135.00 129.66 2wdj n PRO 99 Ca -0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2wdj n PRO 99 Cb 0.57 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2wdj n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdj n GLY 100 N 3.33 3.09 3.59 -1.23 0.00 0.61 -4.23 105.19 110.36 2wdj n GLY 100 Ca 0.19 -1.08 -0.47 0.00 0.00 0.00 0.00 46.02 44.66 2wdj n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdj n ARG 101 N 0.00 1.32 -3.45 1.61 3.00 -1.05 -4.49 116.66 113.60 2wdj n ARG 101 Ca 0.00 0.47 -0.43 0.00 -0.00 0.00 0.00 57.85 57.89 2wdj n ARG 101 Cb 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 32.46 30.40 2wdj n ARG 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2wdj s VAL 102 N -0.31 5.17 -0.02 5.15 1.01 0.23 -0.77 120.40 130.85 2wdj s VAL 102 Ca 0.70 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 2wdj s VAL 102 Cb -0.80 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 31.61 2wdj s VAL 102 CO 0.53 -0.40 0.33 0.24 0.00 0.00 0.00 175.10 175.81 2wdj h MET 103 N 8.65 -0.15 -6.11 2.72 0.00 -1.27 -3.42 114.93 115.35 2wdj h MET 103 Ca -0.27 0.01 -0.52 0.00 0.00 0.00 0.00 59.70 58.92 2wdj h MET 103 Cb 1.11 0.03 -0.05 0.00 0.00 0.00 0.00 31.60 32.70 2wdj h MET 103 CO 0.77 -0.10 -0.45 -0.06 0.00 0.00 0.00 176.91 177.08 2wdj s PHE 104 N -2.04 2.73 -0.30 -0.22 2.99 -1.18 0.19 117.98 120.15 2wdj s PHE 104 Ca -0.02 -0.45 -0.17 0.00 0.00 0.00 0.00 56.93 56.29 2wdj s PHE 104 Cb 0.00 -1.94 0.18 0.00 0.00 0.00 0.00 43.02 41.26 2wdj s PHE 104 CO 0.07 0.10 1.16 -1.83 -0.00 0.00 0.00 175.22 174.71 2wdj s GLU 105 N -4.00 0.15 0.08 0.44 -1.05 -0.38 0.67 118.70 114.61 2wdj s GLU 105 Ca 0.43 0.35 0.01 0.00 -0.15 0.00 0.00 54.97 55.62 2wdj s GLU 105 Cb -0.02 0.17 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 2wdj s GLU 105 CO 0.26 -0.05 0.18 0.14 0.95 0.00 0.00 175.26 176.74 2wdj s VAL 106 N 1.94 5.09 0.11 1.83 -7.23 -0.21 0.54 120.40 122.47 2wdj s VAL 106 Ca -0.03 -0.57 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 2wdj s VAL 106 Cb -0.03 -3.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.39 2wdj s VAL 106 CO -0.15 0.10 0.12 0.00 -0.31 0.00 0.00 175.10 174.85 2wdj s ALA 107 N -1.52 0.29 -0.70 1.32 0.00 -0.81 -1.57 121.76 118.78 2wdj s ALA 107 Ca 0.33 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2wdj s ALA 107 Cb -0.12 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.61 2wdj s ALA 107 CO 0.26 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2wdj n GLY 108 N -0.06 0.05 3.28 0.00 0.00 -1.26 -3.01 105.19 104.19 2wdj n GLY 108 Ca -0.11 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 2wdj n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdj s VAL 109 N -2.40 0.08 0.73 1.61 1.01 -1.26 -3.68 120.40 116.49 2wdj s VAL 109 Ca 0.00 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 2wdj s VAL 109 Cb 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.32 2wdj s VAL 109 CO 0.00 -0.36 0.97 1.07 0.00 0.00 0.00 175.10 176.77 2wdj n THR 110 N 0.20 2.73 0.23 3.92 5.66 -1.26 -4.82 114.28 120.95 2wdj n THR 110 Ca -0.17 -0.36 0.12 0.00 -3.05 0.00 0.00 64.05 60.59 2wdj n THR 110 Cb 0.61 -1.10 0.36 0.00 -1.55 0.00 0.00 70.33 68.65 2wdj n THR 110 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2wdj h GLU 111 N -0.30 0.00 -0.04 1.09 4.11 -2.01 -1.24 114.58 116.18 2wdj h GLU 111 Ca -0.47 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.78 2wdj h GLU 111 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2wdj h GLU 111 CO 0.47 0.10 -0.74 1.05 0.07 0.00 0.00 179.01 179.95 2wdj h GLU 112 N 0.00 0.26 -0.06 1.06 4.11 -1.99 -1.98 114.58 115.97 2wdj h GLU 112 Ca -0.00 -0.22 -0.10 0.00 0.07 0.00 0.00 59.36 59.11 2wdj h GLU 112 Cb 0.86 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2wdj h GLU 112 CO 0.01 0.89 -0.35 1.96 0.07 0.00 0.00 179.01 181.59 2wdj h GLN 113 N 0.17 0.35 0.22 1.06 4.20 -1.88 -3.04 115.11 116.19 2wdj h GLN 113 Ca -0.03 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.40 2wdj h GLN 113 Cb 1.31 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.12 2wdj h GLN 113 CO 0.12 0.94 -0.38 0.00 -0.67 0.00 0.00 178.83 178.83 2wdj h ALA 114 N 0.42 -0.73 -1.01 3.87 0.00 -1.21 0.76 119.26 121.35 2wdj h ALA 114 Ca -0.03 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.07 2wdj h ALA 114 Cb 1.01 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 2wdj h ALA 114 CO 0.07 -0.96 0.70 0.52 0.00 0.00 0.00 179.25 179.58 2wdj h MET 115 N -0.68 0.17 0.00 0.00 2.86 -1.44 -1.05 114.93 114.79 2wdj h MET 115 Ca 0.00 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 2wdj h MET 115 Cb 0.66 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 2wdj h MET 115 CO -0.16 0.11 -0.81 1.49 1.06 0.00 0.00 176.91 178.60 2wdj h GLU 116 N 0.17 0.00 -0.73 1.72 4.57 -1.02 -3.04 114.58 116.25 2wdj h GLU 116 Ca 0.52 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.77 2wdj h GLU 116 Cb 1.72 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 30.24 2wdj h GLU 116 CO -0.11 0.89 0.40 0.00 -1.18 0.00 0.00 179.01 179.01 2wdj h ALA 117 N -0.41 1.01 0.00 2.92 0.00 0.78 0.30 119.26 123.86 2wdj h ALA 117 Ca -0.21 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2wdj h ALA 117 Cb 1.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2wdj h ALA 117 CO -0.13 0.05 -0.63 -0.07 0.00 0.00 0.00 179.25 178.48 2wdj h LEU 118 N 0.71 0.00 0.71 0.00 3.38 -1.39 -2.86 115.31 115.87 2wdj h LEU 118 Ca 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 2wdj h LEU 118 Cb 0.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2wdj h LEU 118 CO -0.22 0.63 -0.34 -0.09 0.09 0.00 0.00 178.44 178.50 2wdj h ARG 119 N 0.00 -0.92 -0.94 1.13 2.43 -1.08 -2.52 114.38 112.48 2wdj h ARG 119 Ca -0.01 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.38 2wdj h ARG 119 Cb 1.24 0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 30.92 2wdj h ARG 119 CO 0.08 -0.59 0.60 0.82 -1.51 0.00 0.00 179.97 179.37 2wdj h ILE 120 N -1.08 0.82 -0.74 1.20 1.08 -1.02 -1.53 117.51 116.25 2wdj h ILE 120 Ca -0.10 -0.26 -0.06 0.00 -0.39 0.00 0.00 64.86 64.05 2wdj h ILE 120 Cb 0.76 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 2wdj h ILE 120 CO 0.16 0.14 0.24 0.00 -0.69 0.00 0.00 178.15 178.00 2wdj h ALA 121 N 1.59 0.96 0.00 1.87 0.00 -1.37 -1.31 119.26 121.01 2wdj h ALA 121 Ca 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2wdj h ALA 121 Cb 0.72 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2wdj h ALA 121 CO -0.25 0.64 0.10 0.78 0.00 0.00 0.00 179.25 180.52 2wdj h GLY 122 N 1.09 0.00 1.43 0.00 0.00 -0.83 0.16 103.07 104.91 2wdj h GLY 122 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.28 2wdj h GLY 122 CO -0.01 0.00 -1.39 0.45 0.00 0.00 0.00 176.54 175.59 2wdj h HIS 123 N 0.00 0.44 0.00 5.60 -0.00 -1.23 -3.21 115.15 116.75 2wdj h HIS 123 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2wdj h HIS 123 Cb 0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2wdj h HIS 123 CO 0.00 1.31 0.00 1.63 -0.00 0.00 0.00 177.93 180.87 2wdj n LYS 124 N -3.47 0.16 -3.88 2.45 4.76 0.51 -4.80 118.16 113.88 2wdj n LYS 124 Ca -0.12 0.06 -0.27 0.00 -2.87 0.00 0.00 58.31 55.11 2wdj n LYS 124 Cb 1.03 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.69 2wdj n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wdj s LEU 125 N -2.81 4.32 0.00 -0.35 1.43 -0.93 -4.78 118.68 115.55 2wdj s LEU 125 Ca 0.17 0.25 0.12 0.00 -1.03 0.00 0.00 54.13 53.64 2wdj s LEU 125 Cb 0.16 -2.98 0.74 0.00 0.03 0.00 0.00 46.19 44.14 2wdj s LEU 125 CO 0.42 0.05 1.39 -0.81 0.23 0.00 0.00 176.35 177.63 2wdj n PRO 126 N -0.41 0.89 -2.91 1.29 -0.04 -1.26 -4.90 135.00 127.65 2wdj n PRO 126 Ca -0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.31 2wdj n PRO 126 Cb 0.53 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 2wdj n PRO 126 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2wdj n ILE 127 N -0.72 0.00 -3.54 0.52 -5.35 -1.26 -5.09 119.36 103.92 2wdj n ILE 127 Ca 0.09 -0.92 -0.38 0.00 -0.27 0.00 0.00 62.75 61.28 2wdj n ILE 127 Cb 0.04 0.35 -0.06 0.00 -1.74 0.00 0.00 39.64 38.23 2wdj n ILE 127 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2wdj s LYS 128 N -2.58 3.97 0.25 6.28 -0.14 -1.26 -4.92 119.74 121.34 2wdj s LYS 128 Ca 0.09 0.28 0.02 0.00 -1.36 0.00 0.00 55.97 55.01 2wdj s LYS 128 Cb 0.00 -3.28 -0.01 0.00 -1.68 0.00 0.00 37.83 32.86 2wdj s LYS 128 CO 0.07 0.55 0.08 0.25 -0.76 0.00 0.00 175.35 175.54 2wdj n THR 129 N 2.40 0.00 -3.66 2.17 -2.24 -1.26 -1.17 114.28 110.51 2wdj n THR 129 Ca -0.14 -1.44 -0.13 0.00 -2.27 0.00 0.00 64.05 60.08 2wdj n THR 129 Cb 0.52 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 2wdj n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2wdj s LYS 130 N -2.96 0.93 0.13 -0.78 2.20 -0.62 -4.81 119.74 113.83 2wdj s LYS 130 Ca 0.11 -0.40 0.07 0.00 -0.36 0.00 0.00 55.97 55.40 2wdj s LYS 130 Cb 0.01 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 2wdj s LYS 130 CO 0.08 -0.32 -0.05 0.42 -0.36 0.00 0.00 175.35 175.11 2wdj s ILE 131 N -2.59 3.56 0.21 5.43 1.01 -1.26 -1.43 121.20 126.12 2wdj s ILE 131 Ca -0.05 -1.32 -0.05 0.00 0.00 0.00 0.00 60.65 59.24 2wdj s ILE 131 Cb -0.01 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 2wdj s ILE 131 CO -0.03 0.02 0.24 0.68 0.00 0.00 0.00 174.94 175.85 2wdj s VAL 132 N -1.45 0.00 0.00 2.92 -7.23 -0.88 -4.97 120.40 108.80 2wdj s VAL 132 Ca 0.24 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 2wdj s VAL 132 Cb -0.10 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2wdj s VAL 132 CO 0.16 -0.01 0.00 0.54 -0.31 0.00 0.00 175.10 175.48 2wdj n ARG 133 N -0.30 0.00 0.00 4.82 1.74 -1.26 -2.63 116.66 119.02 2wdj n ARG 133 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2wdj n ARG 133 Cb 0.65 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.09 2wdj n ARG 133 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wdj n ARG 134 N -0.82 0.00 0.00 5.56 5.12 -1.26 -4.21 116.66 121.05 2wdj n ARG 134 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wdj n ARG 134 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2wdj n ARG 134 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wdj n ASP 135 N 0.00 0.00 -3.00 0.55 5.75 -1.26 -4.18 116.55 114.41 2wdj n ASP 135 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.49 2wdj n ASP 135 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 2wdj n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wdj n ALA 136 N -3.00 6.55 -0.75 2.12 0.00 -1.26 -4.29 120.51 119.88 2wdj n ALA 136 Ca 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.68 2wdj n ALA 136 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 16.39 2wdj n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdj n TYR 137 N 3.48 0.00 0.00 0.00 0.53 -1.26 -5.08 117.16 114.84 2wdj n TYR 137 Ca 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.50 2wdj n TYR 137 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.65 2wdj n TYR 137 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2wdj n ASP 138 N -1.64 0.00 -3.83 7.72 8.00 -1.26 -4.84 116.55 120.70 2wdj n ASP 138 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 2wdj n ASP 138 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2wdj n ASP 138 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2wdj n GLU 139 N 0.02 3.74 -0.66 -1.24 4.07 -1.26 -4.97 120.64 120.34 2wdj n GLU 139 Ca 0.00 -4.59 0.00 0.00 -0.06 0.00 0.00 57.16 52.51 2wdj n GLU 139 Cb 0.00 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 28.95 2wdj n GLU 139 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wdj n ALA 140 N 1.26 0.00 -0.77 4.31 0.00 -1.26 -5.29 120.51 118.76 2wdj n ALA 140 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2wdj n ALA 140 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2wdj n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54