#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj s LYS 2 N 0.00 0.54 -1.37 2.12 3.01 -1.26 -5.05 119.74 117.73 2wdj s LYS 2 Ca 0.00 -0.02 -0.12 0.00 -1.01 0.00 0.00 55.97 54.82 2wdj s LYS 2 Cb 0.00 -0.22 0.10 0.00 -1.01 0.00 0.00 37.83 36.70 2wdj s LYS 2 CO 0.00 -1.09 2.04 2.41 0.51 0.00 0.00 175.35 179.22 2wdj n THR 3 N 5.04 3.89 0.00 2.17 -1.04 -1.26 -4.77 114.28 118.31 2wdj n THR 3 Ca 0.05 -3.71 0.00 0.00 -2.04 0.00 0.00 64.05 58.34 2wdj n THR 3 Cb 0.51 -2.48 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 2wdj n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdj n TYR 4 N 5.15 0.00 -1.55 -1.42 0.18 -1.26 -4.81 117.16 113.46 2wdj n TYR 4 Ca 0.46 0.00 -0.48 0.00 1.88 0.00 0.00 57.90 59.76 2wdj n TYR 4 Cb 0.38 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.31 2wdj n TYR 4 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 2wdj n VAL 5 N -0.38 1.45 -1.09 -3.48 3.14 -1.26 -5.00 118.33 111.72 2wdj n VAL 5 Ca 0.00 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 2wdj n VAL 5 Cb 0.00 -0.70 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 2wdj n VAL 5 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2wdj n PRO 6 N 1.23 0.96 -4.11 1.45 -0.04 -1.26 -5.13 135.00 128.10 2wdj n PRO 6 Ca 0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2wdj n PRO 6 Cb 0.27 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.62 2wdj n PRO 6 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wdj s LYS 7 N -0.87 0.67 -0.62 0.54 1.02 -1.26 -5.04 119.74 114.18 2wdj s LYS 7 Ca 0.00 -1.16 -0.13 0.00 0.02 0.00 0.00 55.97 54.70 2wdj s LYS 7 Cb 0.00 -0.03 -0.17 0.00 -0.52 0.00 0.00 37.83 37.11 2wdj s LYS 7 CO 0.00 -0.05 1.53 1.04 -0.92 0.00 0.00 175.35 176.96 2wdj n GLN 8 N 0.34 0.00 -0.89 1.68 6.02 -1.26 -4.87 117.38 118.40 2wdj n GLN 8 Ca -0.15 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.59 2wdj n GLN 8 Cb 0.60 -0.80 0.21 0.00 1.02 0.00 0.00 30.24 31.27 2wdj n GLN 8 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2wdj n VAL 9 N 4.13 0.00 -4.56 5.09 0.31 -1.26 -5.06 118.33 116.98 2wdj n VAL 9 Ca 0.42 -0.41 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2wdj n VAL 9 Cb 0.05 -1.21 -0.16 0.00 -0.91 0.00 0.00 33.84 31.61 2wdj n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2wdj s GLU 10 N -5.10 2.93 -0.44 5.55 2.56 -1.26 -5.08 118.70 117.86 2wdj s GLU 10 Ca 0.60 -0.82 -0.43 0.00 0.00 0.00 0.00 54.97 54.32 2wdj s GLU 10 Cb -0.06 -2.40 -0.17 0.00 2.00 0.00 0.00 34.13 33.50 2wdj s GLU 10 CO 0.46 -0.05 1.95 -0.35 -0.56 0.00 0.00 175.26 176.71 2wdj n PRO 11 N 4.17 0.37 -3.20 4.30 -0.04 -1.26 -4.90 135.00 134.44 2wdj n PRO 11 Ca -0.20 0.12 -0.45 0.00 -0.04 0.00 0.00 63.50 62.93 2wdj n PRO 11 Cb 0.51 -1.76 -0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2wdj n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2wdj s ARG 12 N 4.91 4.15 0.75 0.54 6.06 -1.26 -4.91 118.95 129.19 2wdj s ARG 12 Ca 1.11 -2.96 -0.15 0.00 -2.50 0.00 0.00 55.73 51.22 2wdj s ARG 12 Cb -1.32 -4.74 0.00 0.00 0.06 0.00 0.00 34.95 28.95 2wdj s ARG 12 CO 0.67 -1.44 0.78 0.91 -2.50 0.00 0.00 175.30 173.73 2wdj n TRP 13 N 3.82 0.01 -3.86 5.12 7.02 -1.26 -3.72 117.44 124.58 2wdj n TRP 13 Ca 0.28 0.37 -0.11 0.00 -1.02 0.00 0.00 57.50 57.01 2wdj n TRP 13 Cb 0.41 -2.00 -0.10 0.00 -2.42 0.00 0.00 31.31 27.20 2wdj n TRP 13 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2wdj s VAL 14 N -1.94 0.06 0.18 -0.99 1.01 -0.72 -3.72 120.40 114.29 2wdj s VAL 14 Ca 0.69 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.22 2wdj s VAL 14 Cb -0.33 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2wdj s VAL 14 CO 0.55 -0.29 -0.05 -0.22 0.00 0.00 0.00 175.10 175.08 2wdj s LEU 15 N -1.05 3.13 -0.29 3.92 1.98 -1.12 -0.96 118.68 124.29 2wdj s LEU 15 Ca -0.11 -0.49 -0.22 0.00 -2.89 0.00 0.00 54.13 50.41 2wdj s LEU 15 Cb -0.06 -1.80 0.17 0.00 0.66 0.00 0.00 46.19 45.16 2wdj s LEU 15 CO 0.01 0.10 1.24 -0.51 -1.89 0.00 0.00 176.35 175.30 2wdj s ILE 16 N -1.72 0.00 -0.46 6.68 2.07 -1.00 -1.50 121.20 125.27 2wdj s ILE 16 Ca 0.26 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.57 2wdj s ILE 16 Cb -0.09 -1.00 0.23 0.00 0.13 0.00 0.00 42.46 41.73 2wdj s ILE 16 CO 0.17 0.00 0.73 -0.67 -1.91 0.00 0.00 174.94 173.26 2wdj n ASP 17 N 2.33 -2.08 -2.02 4.50 4.64 -1.26 -1.61 116.55 121.05 2wdj n ASP 17 Ca -0.13 -3.02 -0.11 0.00 -1.38 0.00 0.00 54.79 50.15 2wdj n ASP 17 Cb 0.57 1.05 -0.15 0.00 -1.04 0.00 0.00 41.12 41.54 2wdj n ASP 17 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wdj n ALA 18 N 1.90 5.97 -0.61 -1.67 0.00 -1.26 -4.50 120.51 120.34 2wdj n ALA 18 Ca 0.15 -1.66 0.48 0.00 0.00 0.00 0.00 53.44 52.41 2wdj n ALA 18 Cb 0.58 -2.28 0.79 0.00 0.00 0.00 0.00 19.45 18.55 2wdj n ALA 18 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wdj h GLU 19 N 3.13 0.01 -0.63 0.00 4.11 -1.87 3.15 114.58 122.48 2wdj h GLU 19 Ca 0.17 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2wdj h GLU 19 Cb 1.41 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2wdj h GLU 19 CO 0.24 0.01 0.00 0.41 0.07 0.00 0.00 179.01 179.74 2wdj n GLY 20 N -1.84 2.76 3.61 1.06 0.00 -1.26 -1.39 105.19 108.13 2wdj n GLY 20 Ca 0.41 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 2wdj n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdj s LYS 21 N -2.37 2.24 0.61 1.61 2.20 1.05 -4.50 119.74 120.57 2wdj s LYS 21 Ca 0.49 -1.10 -0.19 0.00 -0.36 0.00 0.00 55.97 54.81 2wdj s LYS 21 Cb 0.36 -2.30 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 2wdj s LYS 21 CO 0.17 0.47 1.25 0.99 -0.36 0.00 0.00 175.35 177.88 2wdj s THR 22 N -1.53 2.36 0.37 3.43 2.01 -1.25 -1.53 115.64 119.49 2wdj s THR 22 Ca 0.25 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.47 2wdj s THR 22 Cb -0.10 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 2wdj s THR 22 CO 0.16 -0.04 0.60 -1.48 -0.69 0.00 0.00 174.62 173.17 2wdj s LEU 23 N -4.10 3.94 0.00 4.42 2.34 -1.20 -2.40 118.68 121.68 2wdj s LEU 23 Ca 0.79 0.56 0.00 0.00 0.06 0.00 0.00 54.13 55.54 2wdj s LEU 23 Cb -0.34 -3.44 0.00 0.00 -0.56 0.00 0.00 46.19 41.85 2wdj s LEU 23 CO 0.37 -0.35 0.00 0.61 -1.06 0.00 0.00 176.35 175.92 2wdj n GLY 24 N -1.84 1.70 0.30 -3.48 0.00 -1.26 -4.19 105.19 96.42 2wdj n GLY 24 Ca -0.04 -0.11 0.19 0.00 0.00 0.00 0.00 46.02 46.06 2wdj n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wdj h ARG 25 N 0.00 0.00 0.00 1.61 2.47 -1.98 0.36 114.38 116.84 2wdj h ARG 25 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wdj h ARG 25 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2wdj h ARG 25 CO 0.00 0.02 -0.86 -0.11 0.56 0.00 0.00 179.97 179.58 2wdj n LEU 26 N -3.15 1.68 0.32 3.04 7.94 -1.01 -4.44 117.00 121.37 2wdj n LEU 26 Ca -0.01 0.28 0.14 0.00 -1.11 0.00 0.00 56.01 55.31 2wdj n LEU 26 Cb 0.22 -0.71 0.70 0.00 0.53 0.00 0.00 43.42 44.17 2wdj n LEU 26 CO 0.25 -0.30 1.11 0.00 -1.11 0.00 0.00 177.39 177.34 2wdj h ALA 27 N -1.13 1.48 -0.20 1.96 0.00 -1.81 0.30 119.26 119.86 2wdj h ALA 27 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wdj h ALA 27 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2wdj h ALA 27 CO 0.00 -0.46 0.14 0.00 0.00 0.00 0.00 179.25 178.93 2wdj h THR 28 N 0.00 0.95 0.00 0.00 1.03 -0.48 0.16 112.91 114.58 2wdj h THR 28 Ca 0.01 -0.04 -0.38 0.00 -0.01 0.00 0.00 66.41 66.00 2wdj h THR 28 Cb 0.90 0.84 -0.07 0.00 -1.07 0.00 0.00 68.15 68.75 2wdj h THR 28 CO -0.00 0.02 -2.40 0.29 -0.01 0.00 0.00 175.52 173.42 2wdj n LYS 29 N -4.49 0.67 0.31 0.00 5.02 0.10 -3.24 118.16 116.53 2wdj n LYS 29 Ca 0.01 0.07 0.20 0.00 -2.02 0.00 0.00 58.31 56.57 2wdj n LYS 29 Cb 0.21 -1.53 1.08 0.00 -0.02 0.00 0.00 35.03 34.76 2wdj n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2wdj h ILE 30 N 0.00 0.00 0.00 -0.18 2.04 -0.86 0.28 117.51 118.80 2wdj h ILE 30 Ca -0.55 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2wdj h ILE 30 Cb 2.10 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2wdj h ILE 30 CO -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 177.95 2wdj h ALA 31 N 1.90 0.01 -0.63 1.87 0.00 -0.81 -2.87 119.26 118.73 2wdj h ALA 31 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.82 2wdj h ALA 31 Cb 0.10 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 2wdj h ALA 31 CO 0.00 0.16 0.03 1.15 0.00 0.00 0.00 179.25 180.59 2wdj h THR 32 N -1.00 0.50 -0.28 0.00 2.02 -1.15 0.31 112.91 113.31 2wdj h THR 32 Ca -0.01 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2wdj h THR 32 Cb 0.27 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2wdj h THR 32 CO -0.01 0.03 -0.14 -0.07 0.37 0.00 0.00 175.52 175.69 2wdj h LEU 33 N 0.14 0.47 -0.98 2.58 4.07 -0.67 -2.67 115.31 118.25 2wdj h LEU 33 Ca 0.33 -0.13 0.01 0.00 0.08 0.00 0.00 57.88 58.18 2wdj h LEU 33 Cb 0.54 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.11 2wdj h LEU 33 CO -0.52 0.64 0.65 0.25 -1.08 0.00 0.00 178.44 178.38 2wdj h LEU 34 N 0.44 1.12 0.00 1.67 5.85 -0.20 -1.80 115.31 122.39 2wdj h LEU 34 Ca 0.08 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.57 2wdj h LEU 34 Cb 0.52 -0.28 0.06 0.00 0.37 0.00 0.00 40.66 41.33 2wdj h LEU 34 CO 0.03 0.81 0.13 0.54 -0.34 0.00 0.00 178.44 179.61 2wdj n ARG 35 N -4.41 -0.18 -2.23 1.25 1.74 -0.45 -3.94 116.66 108.44 2wdj n ARG 35 Ca 0.12 -1.08 -0.39 0.00 -0.77 0.00 0.00 57.85 55.73 2wdj n ARG 35 Cb 0.02 -0.47 0.03 0.00 -1.02 0.00 0.00 32.46 31.01 2wdj n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdj n GLY 36 N 1.25 5.75 0.11 -0.13 0.00 -1.25 -3.88 105.19 107.04 2wdj n GLY 36 Ca 0.08 -2.55 0.12 0.00 0.00 0.00 0.00 46.02 43.66 2wdj n GLY 36 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdj h LYS 37 N 3.32 0.00 0.00 1.61 1.63 -1.84 -3.36 116.57 117.92 2wdj h LYS 37 Ca 0.52 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.99 2wdj h LYS 37 Cb 0.21 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.78 2wdj h LYS 37 CO 1.28 0.00 -2.30 -2.39 -3.45 0.00 0.00 179.45 172.59 2wdj n HIS 38 N -2.49 0.06 -3.34 1.91 1.44 -1.26 -4.91 115.22 106.62 2wdj n HIS 38 Ca 0.02 0.02 -0.38 0.00 -2.01 0.00 0.00 57.72 55.37 2wdj n HIS 38 Cb 0.50 -0.95 -0.06 0.00 0.12 0.00 0.00 29.99 29.60 2wdj n HIS 38 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2wdj s ARG 39 N -2.62 4.31 0.00 -1.40 1.04 -1.26 -4.98 118.95 114.05 2wdj s ARG 39 Ca -0.09 0.42 0.00 0.00 -1.04 0.00 0.00 55.73 55.01 2wdj s ARG 39 Cb 0.07 -3.42 0.00 0.00 -2.04 0.00 0.00 34.95 29.56 2wdj s ARG 39 CO 0.84 0.19 0.00 -0.35 -0.04 0.00 0.00 175.30 175.94 2wdj n PRO 40 N 3.57 0.00 0.04 3.89 -0.04 -1.26 -2.85 135.00 138.35 2wdj n PRO 40 Ca -0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.24 2wdj n PRO 40 Cb 0.52 -0.99 -0.14 0.00 -0.04 0.00 0.00 33.50 32.85 2wdj n PRO 40 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wdj h ASP 41 N 0.05 0.26 -0.21 3.54 5.19 -1.93 -3.49 116.42 119.82 2wdj h ASP 41 Ca 0.00 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2wdj h ASP 41 Cb 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.43 2wdj h ASP 41 CO 0.00 1.32 0.00 1.87 -3.12 0.00 0.00 179.24 179.31 2wdj n TRP 42 N -3.36 0.00 -3.64 4.55 -0.00 -1.13 -4.75 117.44 109.11 2wdj n TRP 42 Ca -0.15 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.08 2wdj n TRP 42 Cb 1.03 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 32.24 2wdj n TRP 42 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 2wdj n THR 43 N 0.57 1.36 0.00 5.87 -1.04 -1.26 -4.97 114.28 114.81 2wdj n THR 43 Ca 0.00 -4.75 0.00 0.00 -2.04 0.00 0.00 64.05 57.26 2wdj n THR 43 Cb 0.00 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.43 2wdj n THR 43 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wdj n PRO 44 N 1.67 0.00 -0.44 -2.82 -0.04 -1.26 -0.84 135.00 131.27 2wdj n PRO 44 Ca 0.24 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.73 2wdj n PRO 44 Cb 0.40 -0.96 0.04 0.00 -0.04 0.00 0.00 33.50 32.94 2wdj n PRO 44 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2wdj n ASN 45 N -0.13 0.74 0.00 3.54 0.23 -1.26 -4.88 115.26 113.49 2wdj n ASN 45 Ca 0.00 -2.34 0.00 0.00 -0.53 0.00 0.00 54.58 51.71 2wdj n ASN 45 Cb 0.00 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 2wdj n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2wdj n VAL 46 N -0.39 0.00 -1.31 3.53 3.14 -0.02 -5.09 118.33 118.19 2wdj n VAL 46 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2wdj n VAL 46 Cb 0.71 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 2wdj n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wdj n ALA 47 N -0.67 -0.47 -3.27 1.55 0.00 -1.25 -4.99 120.51 111.41 2wdj n ALA 47 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2wdj n ALA 47 Cb 0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 2wdj n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdj n MET 48 N -1.30 3.67 -4.37 0.00 0.00 -1.26 -4.98 117.12 108.88 2wdj n MET 48 Ca 0.00 -4.52 -0.19 0.00 0.00 0.00 0.00 57.70 52.99 2wdj n MET 48 Cb 0.44 -2.48 -0.10 0.00 0.00 0.00 0.00 33.22 31.07 2wdj n MET 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2wdj s GLY 49 N -0.55 1.81 0.09 3.17 0.00 -1.26 -3.77 107.32 106.80 2wdj s GLY 49 Ca 0.31 -1.91 -0.30 0.00 0.00 0.00 0.00 44.72 42.82 2wdj s GLY 49 CO -0.01 -1.71 1.20 0.99 0.00 0.00 0.00 173.10 173.58 2wdj s ASP 50 N -3.38 7.08 -0.57 1.64 1.01 -0.68 -4.55 116.67 117.23 2wdj s ASP 50 Ca 0.34 2.07 -0.28 0.00 0.71 0.00 0.00 52.55 55.39 2wdj s ASP 50 Cb 0.07 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.43 2wdj s ASP 50 CO 0.13 -0.45 1.48 -0.36 0.21 0.00 0.00 175.17 176.18 2wdj s PHE 51 N 0.80 2.18 -0.17 4.23 0.40 -1.24 -4.26 117.98 119.93 2wdj s PHE 51 Ca 0.57 0.48 -0.18 0.00 -0.60 0.00 0.00 56.93 57.20 2wdj s PHE 51 Cb -0.30 -4.36 -0.04 0.00 0.51 0.00 0.00 43.02 38.83 2wdj s PHE 51 CO 0.31 -2.08 0.51 0.08 0.70 0.00 0.00 175.22 174.74 2wdj s VAL 52 N 6.47 5.13 -0.32 -0.44 1.01 -0.85 -1.75 120.40 129.65 2wdj s VAL 52 Ca 0.54 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 2wdj s VAL 52 Cb -0.11 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.49 2wdj s VAL 52 CO 0.24 0.23 0.03 -0.69 0.00 0.00 0.00 175.10 174.92 2wdj s VAL 53 N 1.24 2.96 -0.09 2.92 1.01 -0.13 -1.79 120.40 126.52 2wdj s VAL 53 Ca 0.25 -1.57 -0.13 0.00 0.00 0.00 0.00 61.98 60.53 2wdj s VAL 53 Cb -0.15 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2wdj s VAL 53 CO 0.10 -0.24 0.31 -0.69 0.00 0.00 0.00 175.10 174.59 2wdj s VAL 54 N 1.21 5.24 0.36 2.92 1.01 -0.79 -2.37 120.40 127.98 2wdj s VAL 54 Ca -0.02 0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.65 2wdj s VAL 54 Cb -0.20 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2wdj s VAL 54 CO -0.02 0.50 0.06 0.54 0.00 0.00 0.00 175.10 176.18 2wdj s VAL 55 N -0.36 2.60 -0.68 2.92 0.11 -0.64 -1.55 120.40 122.81 2wdj s VAL 55 Ca 0.19 -1.88 -0.15 0.00 -2.93 0.00 0.00 61.98 57.21 2wdj s VAL 55 Cb -0.14 -2.87 0.02 0.00 -1.53 0.00 0.00 36.38 31.86 2wdj s VAL 55 CO 0.07 -0.15 0.63 -3.20 -3.33 0.00 0.00 175.10 169.12 2wdj n ASN 56 N -1.03 -5.13 0.00 3.54 4.05 -0.52 -4.57 115.26 111.59 2wdj n ASN 56 Ca -0.04 -0.64 0.00 0.00 0.45 0.00 0.00 54.58 54.35 2wdj n ASN 56 Cb 0.63 -1.71 0.00 0.00 1.23 0.00 0.00 39.78 39.93 2wdj n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wdj n ALA 57 N -1.67 0.00 0.00 5.20 0.00 0.92 -4.54 120.51 120.42 2wdj n ALA 57 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2wdj n ALA 57 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2wdj n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdj n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.28 116.55 116.76 2wdj n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2wdj n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2wdj n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wdj n LYS 59 N 0.00 0.00 -0.68 0.11 4.76 -1.26 -4.79 118.16 116.30 2wdj n LYS 59 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 2wdj n LYS 59 Cb 0.00 -0.54 -0.04 0.00 -1.84 0.00 0.00 35.03 32.61 2wdj n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wdj n ILE 60 N 0.00 0.00 -1.65 -0.18 5.41 -0.49 -4.71 119.36 117.74 2wdj n ILE 60 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 2wdj n ILE 60 Cb 0.00 -0.17 0.05 0.00 -0.71 0.00 0.00 39.64 38.81 2wdj n ILE 60 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2wdj s ARG 61 N 1.05 2.74 -0.25 0.38 1.81 -0.58 -4.90 118.95 119.20 2wdj s ARG 61 Ca 0.41 1.26 -0.06 0.00 -1.72 0.00 0.00 55.73 55.62 2wdj s ARG 61 Cb -0.59 -1.95 0.12 0.00 -0.45 0.00 0.00 34.95 32.09 2wdj s ARG 61 CO 0.31 -1.28 0.49 0.54 -0.68 0.00 0.00 175.30 174.69 2wdj s VAL 62 N -2.58 -0.77 0.42 3.52 0.11 -1.26 -3.23 120.40 116.60 2wdj s VAL 62 Ca 0.64 0.06 -0.07 0.00 -2.93 0.00 0.00 61.98 59.68 2wdj s VAL 62 Cb -0.18 -0.82 0.11 0.00 -1.53 0.00 0.00 36.38 33.95 2wdj s VAL 62 CO 0.46 0.00 0.24 0.41 -3.33 0.00 0.00 175.10 172.88 2wdj n THR 63 N 5.41 0.00 0.00 5.04 -1.04 -1.26 -4.73 114.28 117.70 2wdj n THR 63 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2wdj n THR 63 Cb 0.50 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 2wdj n THR 63 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdj n GLY 64 N -1.50 0.42 1.53 3.41 0.00 -1.26 -2.52 105.19 105.27 2wdj n GLY 64 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.02 2wdj n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdj n LYS 65 N 3.56 3.42 0.00 1.61 4.01 -1.26 -4.67 118.16 124.83 2wdj n LYS 65 Ca 0.00 -2.17 0.00 0.00 -0.51 0.00 0.00 58.31 55.63 2wdj n LYS 65 Cb 0.00 -2.00 0.00 0.00 -0.51 0.00 0.00 35.03 32.52 2wdj n LYS 65 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2wdj n LYS 66 N 0.26 0.00 -4.64 1.97 5.02 -1.05 -2.40 118.16 117.33 2wdj n LYS 66 Ca 0.23 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.19 2wdj n LYS 66 Cb 0.97 -1.17 -0.16 0.00 -0.02 0.00 0.00 35.03 34.66 2wdj n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wdj s LEU 67 N -0.99 2.38 0.00 -0.35 1.02 -1.26 -4.13 118.68 115.34 2wdj s LEU 67 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.65 2wdj s LEU 67 Cb 0.00 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.68 2wdj s LEU 67 CO 0.00 0.10 0.00 -0.62 0.02 0.00 0.00 176.35 175.85 2wdj n GLU 68 N 3.98 0.00 0.00 1.70 -0.58 -1.26 -4.60 120.64 119.88 2wdj n GLU 68 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 2wdj n GLU 68 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 2wdj n GLU 68 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2wdj n GLN 69 N 0.00 0.71 -4.62 3.49 6.02 -1.01 -4.54 117.38 117.44 2wdj n GLN 69 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2wdj n GLN 69 Cb 0.00 -1.08 -0.17 0.00 1.02 0.00 0.00 30.24 30.02 2wdj n GLN 69 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2wdj s LYS 70 N -1.79 2.70 -0.03 -1.09 2.47 -1.26 -4.85 119.74 115.89 2wdj s LYS 70 Ca 0.00 -0.74 0.02 0.00 -1.56 0.00 0.00 55.97 53.69 2wdj s LYS 70 Cb 0.00 -2.21 0.01 0.00 -1.46 0.00 0.00 37.83 34.17 2wdj s LYS 70 CO 0.00 -0.02 -0.09 0.42 0.16 0.00 0.00 175.35 175.82 2wdj s ILE 71 N 0.85 0.80 0.06 5.43 1.01 -1.26 -1.38 121.20 126.71 2wdj s ILE 71 Ca -0.08 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 2wdj s ILE 71 Cb -0.15 -0.73 -0.06 0.00 0.01 0.00 0.00 42.46 41.53 2wdj s ILE 71 CO -0.01 0.26 0.39 -0.31 0.00 0.00 0.00 174.94 175.27 2wdj s TYR 72 N 0.38 3.60 -0.09 3.97 1.51 0.48 -4.90 117.35 122.29 2wdj s TYR 72 Ca -0.06 0.79 0.01 0.00 -1.01 0.00 0.00 57.07 56.80 2wdj s TYR 72 Cb -0.11 -2.16 0.02 0.00 -0.11 0.00 0.00 41.96 39.60 2wdj s TYR 72 CO 0.01 0.54 -0.11 0.99 -1.11 0.00 0.00 175.55 175.87 2wdj s THR 73 N -1.35 1.15 0.04 -0.71 2.01 -1.26 -0.77 115.64 114.74 2wdj s THR 73 Ca 0.31 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.94 2wdj s THR 73 Cb -0.14 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 2wdj s THR 73 CO 0.17 0.37 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.15 2wdj s ARG 74 N 1.02 1.28 -0.26 4.92 0.52 -0.27 -5.00 118.95 121.16 2wdj s ARG 74 Ca -0.08 -0.90 -0.00 0.00 -0.52 0.00 0.00 55.73 54.22 2wdj s ARG 74 Cb -0.15 -1.38 0.08 0.00 0.52 0.00 0.00 34.95 34.02 2wdj s ARG 74 CO -0.01 0.35 0.04 -0.47 0.02 0.00 0.00 175.30 175.23 2wdj s TYR 75 N -0.82 1.89 0.81 -0.53 5.04 -1.26 0.56 117.35 123.04 2wdj s TYR 75 Ca 0.06 -1.62 -0.11 0.00 -2.44 0.00 0.00 57.07 52.96 2wdj s TYR 75 Cb -0.09 -1.60 0.08 0.00 0.35 0.00 0.00 41.96 40.70 2wdj s TYR 75 CO 0.02 -0.79 1.11 -1.54 -1.34 0.00 0.00 175.55 173.01 2wdj s SER 76 N 1.56 4.07 0.20 4.32 1.04 -0.10 -4.86 113.70 119.93 2wdj s SER 76 Ca 0.03 1.94 0.13 0.00 0.48 0.00 0.00 55.95 58.53 2wdj s SER 76 Cb -0.18 -2.54 0.71 0.00 0.10 0.00 0.00 66.02 64.12 2wdj s SER 76 CO -0.14 -2.33 1.40 0.61 0.98 0.00 0.00 173.24 173.76 2wdj n GLY 77 N -0.77 -0.72 3.89 7.32 0.00 -1.26 -4.72 105.19 108.92 2wdj n GLY 77 Ca 0.10 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2wdj n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdj s TYR 78 N -3.33 1.63 0.00 1.61 1.51 -1.26 -5.03 117.35 112.48 2wdj s TYR 78 Ca -0.01 0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 56.14 2wdj s TYR 78 Cb 0.04 -3.97 -0.03 0.00 -0.11 0.00 0.00 41.96 37.89 2wdj s TYR 78 CO 0.12 -2.70 1.04 -2.14 -1.11 0.00 0.00 175.55 170.76 2wdj s PRO 79 N -5.79 4.51 0.00 -1.71 0.02 -1.26 -3.25 135.00 127.52 2wdj s PRO 79 Ca 0.72 1.51 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2wdj s PRO 79 Cb -0.05 -3.45 0.00 0.00 0.02 0.00 0.00 34.50 31.02 2wdj s PRO 79 CO 0.53 -0.14 0.00 0.41 -0.33 0.00 0.00 177.00 177.47 2wdj n GLY 80 N 3.01 0.47 2.03 0.52 0.00 -1.26 -4.84 105.19 105.12 2wdj n GLY 80 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 2wdj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLY 81 N -1.97 1.76 3.26 -0.02 0.00 -1.20 -4.72 105.19 102.29 2wdj n GLY 81 Ca 0.00 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 2wdj n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdj s LEU 82 N 0.00 6.15 0.04 0.99 2.96 -1.26 -0.92 118.68 126.64 2wdj s LEU 82 Ca 0.18 -2.31 -0.30 0.00 -0.22 0.00 0.00 54.13 51.47 2wdj s LEU 82 Cb 0.09 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 2wdj s LEU 82 CO 0.00 -0.64 1.18 -0.54 -1.32 0.00 0.00 176.35 175.02 2wdj s LYS 83 N 0.76 4.43 -0.00 1.98 -0.14 0.19 -4.92 119.74 122.04 2wdj s LYS 83 Ca 0.11 1.72 0.06 0.00 -1.36 0.00 0.00 55.97 56.50 2wdj s LYS 83 Cb -0.20 -3.39 -0.03 0.00 -1.68 0.00 0.00 37.83 32.53 2wdj s LYS 83 CO -0.03 -0.26 -0.18 0.15 -0.76 0.00 0.00 175.35 174.27 2wdj s LYS 84 N 1.21 2.25 -0.13 1.68 1.02 -1.26 -1.11 119.74 123.40 2wdj s LYS 84 Ca 0.58 -0.86 -0.05 0.00 0.02 0.00 0.00 55.97 55.65 2wdj s LYS 84 Cb -0.28 -2.24 0.06 0.00 -0.52 0.00 0.00 37.83 34.85 2wdj s LYS 84 CO 0.28 0.58 0.26 0.42 -0.92 0.00 0.00 175.35 175.97 2wdj s ILE 85 N -0.81 -0.32 0.31 2.17 1.01 0.05 -4.97 121.20 118.63 2wdj s ILE 85 Ca 0.13 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.83 2wdj s ILE 85 Cb -0.10 -0.43 -0.09 0.00 0.01 0.00 0.00 42.46 41.84 2wdj s ILE 85 CO 0.03 0.10 0.80 -2.16 0.00 0.00 0.00 174.94 173.71 2wdj s PRO 86 N 2.12 4.21 0.10 2.79 0.04 -1.26 0.18 135.00 143.18 2wdj s PRO 86 Ca -0.02 0.91 -0.19 0.00 0.04 0.00 0.00 61.00 61.74 2wdj s PRO 86 Cb -0.12 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 2wdj s PRO 86 CO -0.09 0.22 1.16 -0.11 0.04 0.00 0.00 177.00 178.23 2wdj n LEU 87 N 0.09 -0.66 -0.00 -3.56 0.00 -0.48 -2.16 117.00 110.23 2wdj n LEU 87 Ca 0.02 1.31 -0.00 0.00 0.00 0.00 0.00 56.01 57.34 2wdj n LEU 87 Cb 0.52 -0.25 -0.00 0.00 0.00 0.00 0.00 43.42 43.70 2wdj n LEU 87 CO 0.42 -1.00 0.34 -0.62 0.00 0.00 0.00 177.39 176.53 2wdj n GLU 88 N -4.49 -0.00 -0.33 1.96 1.02 -1.26 0.24 120.64 117.78 2wdj n GLU 88 Ca 0.01 0.69 0.27 0.00 -0.02 0.00 0.00 57.16 58.12 2wdj n GLU 88 Cb 0.16 -1.04 0.52 0.00 -0.02 0.00 0.00 31.44 31.06 2wdj n GLU 88 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wdj h LYS 89 N 0.00 0.16 0.06 3.49 1.79 -1.82 0.12 116.57 120.37 2wdj h LYS 89 Ca 0.00 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2wdj h LYS 89 Cb 0.00 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2wdj h LYS 89 CO -0.01 0.11 -0.05 0.52 -1.08 0.00 0.00 179.45 178.94 2wdj h MET 90 N 0.16 -0.10 -0.43 3.15 2.86 -0.18 0.20 114.93 120.60 2wdj h MET 90 Ca 0.78 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 58.47 2wdj h MET 90 Cb 1.91 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 33.53 2wdj h MET 90 CO -0.69 -0.07 -0.39 -0.07 1.06 0.00 0.00 176.91 176.75 2wdj h LEU 91 N -0.11 -1.36 -0.92 1.22 3.38 -0.89 -0.02 115.31 116.62 2wdj h LEU 91 Ca -0.01 0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.29 2wdj h LEU 91 Cb 0.09 0.57 -0.15 0.00 0.09 0.00 0.00 40.66 41.26 2wdj h LEU 91 CO 0.00 -0.23 -0.36 0.00 0.09 0.00 0.00 178.44 177.94 2wdj n ALA 92 N -3.04 -0.11 -3.93 1.53 0.00 -0.09 -2.66 120.51 112.21 2wdj n ALA 92 Ca -0.01 0.92 -0.30 0.00 0.00 0.00 0.00 53.44 54.05 2wdj n ALA 92 Cb 0.21 -0.41 -0.16 0.00 0.00 0.00 0.00 19.45 19.09 2wdj n ALA 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2wdj s THR 93 N -5.88 1.45 -0.21 0.00 -1.32 0.70 -4.78 115.64 105.61 2wdj s THR 93 Ca -0.13 -1.08 -0.01 0.00 -1.21 0.00 0.00 61.69 59.26 2wdj s THR 93 Cb 0.19 -1.68 -0.01 0.00 -1.51 0.00 0.00 72.50 69.48 2wdj s THR 93 CO 0.66 -0.03 0.18 1.41 -2.21 0.00 0.00 174.62 174.63 2wdj n HIS 94 N 4.72 -0.51 0.15 9.09 8.25 -1.09 -4.34 115.22 131.49 2wdj n HIS 94 Ca -0.12 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2wdj n HIS 94 Cb 0.45 -2.75 0.24 0.00 1.12 0.00 0.00 29.99 29.04 2wdj n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2wdj h PRO 95 N -0.19 0.00 -0.09 -0.41 0.13 -1.27 -3.18 132.00 127.00 2wdj h PRO 95 Ca -0.11 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2wdj h PRO 95 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2wdj h PRO 95 CO 0.09 0.53 0.10 1.05 -0.23 0.00 0.00 178.00 179.54 2wdj h GLU 96 N 0.00 0.00 -0.42 0.86 9.09 -1.88 -2.47 114.58 119.75 2wdj h GLU 96 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 2wdj h GLU 96 Cb 0.96 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.04 2wdj h GLU 96 CO 0.07 0.00 0.15 0.00 0.05 0.00 0.00 179.01 179.28 2wdj h ARG 97 N 0.00 0.64 -1.17 1.06 3.08 -1.92 -2.55 114.38 113.52 2wdj h ARG 97 Ca 0.04 -0.13 0.38 0.00 0.07 0.00 0.00 59.98 60.34 2wdj h ARG 97 Cb 0.24 -0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.06 2wdj h ARG 97 CO -0.00 0.61 0.73 0.28 -1.07 0.00 0.00 179.97 180.52 2wdj h VAL 98 N 0.54 0.23 0.05 2.04 2.07 -1.65 0.45 116.25 119.97 2wdj h VAL 98 Ca 0.14 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.43 2wdj h VAL 98 Cb 0.22 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2wdj h VAL 98 CO -0.01 0.03 -0.85 0.25 0.02 0.00 0.00 177.57 177.01 2wdj h LEU 99 N 0.19 0.15 -1.15 2.57 7.12 -1.70 -3.27 115.31 119.23 2wdj h LEU 99 Ca 0.76 -0.81 0.20 0.00 0.13 0.00 0.00 57.88 58.16 2wdj h LEU 99 Cb 2.15 -0.05 -0.10 0.00 -0.53 0.00 0.00 40.66 42.13 2wdj h LEU 99 CO -0.46 1.36 0.62 -0.33 -0.13 0.00 0.00 178.44 179.49 2wdj h GLU 100 N -0.75 0.64 0.00 1.25 5.08 -0.51 0.68 114.58 120.97 2wdj h GLU 100 Ca -0.20 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2wdj h GLU 100 Cb 1.36 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2wdj h GLU 100 CO -0.03 0.42 -0.06 0.45 -1.00 0.00 0.00 179.01 178.79 2wdj h HIS 101 N 0.66 0.00 0.03 4.33 3.86 -0.33 -0.18 115.15 123.52 2wdj h HIS 101 Ca 0.56 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.48 2wdj h HIS 101 Cb 1.01 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.44 2wdj h HIS 101 CO -0.00 0.06 -1.56 0.00 0.86 0.00 0.00 177.93 177.29 2wdj h ALA 102 N 1.94 0.58 0.19 2.45 0.00 -0.93 -3.18 119.26 120.30 2wdj h ALA 102 Ca -0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 54.91 53.61 2wdj h ALA 102 Cb 0.52 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2wdj h ALA 102 CO 0.01 1.43 -0.09 0.28 0.00 0.00 0.00 179.25 180.88 2wdj h VAL 103 N 0.02 0.00 -0.94 0.00 2.07 -1.13 -3.24 116.25 113.03 2wdj h VAL 103 Ca -0.23 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.11 2wdj h VAL 103 Cb 1.97 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.60 2wdj h VAL 103 CO 0.10 0.00 -0.46 1.17 0.02 0.00 0.00 177.57 178.40 2wdj n LYS 104 N -3.47 -0.32 0.00 1.57 4.81 -0.10 0.23 118.16 120.89 2wdj n LYS 104 Ca -0.03 1.43 0.01 0.00 -0.87 0.00 0.00 58.31 58.85 2wdj n LYS 104 Cb 0.10 -2.12 0.03 0.00 0.02 0.00 0.00 35.03 33.06 2wdj n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wdj n GLY 105 N -1.34 -0.04 0.00 3.14 0.00 -1.20 -1.50 105.19 104.25 2wdj n GLY 105 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2wdj n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wdj n MET 106 N -1.01 0.17 -3.88 1.61 2.81 0.63 -5.04 117.12 112.41 2wdj n MET 106 Ca 0.01 -0.68 -0.32 0.00 -1.81 0.00 0.00 57.70 54.90 2wdj n MET 106 Cb 0.00 -0.91 -0.05 0.00 -0.71 0.00 0.00 33.22 31.56 2wdj n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wdj s LEU 107 N -0.24 4.36 0.64 4.03 1.43 -0.56 -5.00 118.68 123.33 2wdj s LEU 107 Ca 0.00 0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 53.27 2wdj s LEU 107 Cb 0.00 -2.80 -0.12 0.00 0.03 0.00 0.00 46.19 43.30 2wdj s LEU 107 CO 0.00 0.21 -0.08 -2.65 0.23 0.00 0.00 176.35 174.06 2wdj n PRO 108 N 0.65 0.10 0.05 1.29 -0.02 -1.26 -4.88 135.00 130.93 2wdj n PRO 108 Ca -0.08 0.04 0.13 0.00 -2.02 0.00 0.00 63.50 61.57 2wdj n PRO 108 Cb 0.52 -1.21 0.45 0.00 -0.02 0.00 0.00 33.50 33.24 2wdj n PRO 108 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wdj n LYS 109 N 1.16 0.15 -0.23 -0.52 5.02 -1.26 -3.83 118.16 118.65 2wdj n LYS 109 Ca 0.07 0.10 -0.05 0.00 -2.02 0.00 0.00 58.31 56.42 2wdj n LYS 109 Cb 0.49 -1.66 0.03 0.00 -0.02 0.00 0.00 35.03 33.88 2wdj n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdj n GLY 110 N 1.40 -1.79 0.07 0.72 0.00 -1.26 -4.85 105.19 99.48 2wdj n GLY 110 Ca 0.06 -1.57 0.08 0.00 0.00 0.00 0.00 46.02 44.59 2wdj n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdj n PRO 111 N -1.70 0.09 -0.08 1.61 -0.02 -1.26 -2.56 135.00 131.08 2wdj n PRO 111 Ca 0.02 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 2wdj n PRO 111 Cb 0.09 -1.69 -0.09 0.00 -0.02 0.00 0.00 33.50 31.79 2wdj n PRO 111 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wdj h LEU 112 N 0.00 0.00 -1.70 2.45 5.85 -1.91 -2.86 115.31 117.14 2wdj h LEU 112 Ca 0.00 -0.53 0.31 0.00 0.84 0.00 0.00 57.88 58.50 2wdj h LEU 112 Cb 0.22 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 2wdj h LEU 112 CO 0.00 1.02 0.76 1.23 -0.34 0.00 0.00 178.44 181.11 2wdj h GLY 113 N -1.00 0.58 0.97 3.75 0.00 -1.60 0.99 103.07 106.76 2wdj h GLY 113 Ca -0.11 -0.09 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 2wdj h GLY 113 CO -0.06 -0.08 -0.53 3.21 0.00 0.00 0.00 176.54 179.08 2wdj h ARG 114 N 0.17 0.63 0.32 4.80 3.08 -1.63 -1.99 114.38 119.76 2wdj h ARG 114 Ca 0.58 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2wdj h ARG 114 Cb 1.92 0.09 0.00 0.00 0.08 0.00 0.00 29.97 32.06 2wdj h ARG 114 CO -0.15 1.09 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.60 2wdj h ARG 115 N 0.29 -0.41 0.09 0.04 2.43 0.99 -3.02 114.38 114.79 2wdj h ARG 115 Ca -0.02 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2wdj h ARG 115 Cb 1.16 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 2wdj h ARG 115 CO 0.11 -0.24 -0.39 -0.07 -1.51 0.00 0.00 179.97 177.87 2wdj h LEU 116 N -0.49 -1.16 -1.20 3.80 3.38 -0.28 -0.65 115.31 118.72 2wdj h LEU 116 Ca -0.04 0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.25 2wdj h LEU 116 Cb 0.37 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2wdj h LEU 116 CO 0.07 -0.46 0.94 0.15 0.09 0.00 0.00 178.44 179.23 2wdj h PHE 117 N -0.61 0.00 0.00 1.13 3.57 -1.29 1.46 116.94 121.21 2wdj h PHE 117 Ca 0.03 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2wdj h PHE 117 Cb 0.65 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 2wdj h PHE 117 CO -0.36 0.00 -0.11 0.87 -2.23 0.00 0.00 178.31 176.48 2wdj h LYS 118 N 0.00 0.00 -1.00 1.11 1.57 -0.98 -3.15 116.57 114.11 2wdj h LYS 118 Ca 0.32 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.02 2wdj h LYS 118 Cb 2.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.46 2wdj h LYS 118 CO -0.00 0.10 0.09 0.54 -0.57 0.00 0.00 179.45 179.61 2wdj n ARG 119 N -3.12 1.19 -3.75 3.15 5.12 0.50 -4.65 116.66 115.11 2wdj n ARG 119 Ca 0.04 -0.44 -0.28 0.00 -1.93 0.00 0.00 57.85 55.23 2wdj n ARG 119 Cb 0.57 -1.19 -0.16 0.00 -1.16 0.00 0.00 32.46 30.53 2wdj n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2wdj s LEU 120 N -0.47 1.51 -0.48 0.55 1.98 -1.19 -2.01 118.68 118.57 2wdj s LEU 120 Ca 0.08 -1.05 -0.09 0.00 -2.89 0.00 0.00 54.13 50.18 2wdj s LEU 120 Cb 0.07 -0.70 0.12 0.00 0.66 0.00 0.00 46.19 46.34 2wdj s LEU 120 CO 0.02 -0.33 0.35 -0.54 -1.89 0.00 0.00 176.35 173.96 2wdj s LYS 121 N 1.77 2.47 -0.13 1.98 3.01 -0.74 -5.02 119.74 123.08 2wdj s LYS 121 Ca 0.01 -1.82 -0.05 0.00 -1.01 0.00 0.00 55.97 53.10 2wdj s LYS 121 Cb -0.17 -3.91 -0.04 0.00 -1.01 0.00 0.00 37.83 32.70 2wdj s LYS 121 CO -0.13 -1.19 0.06 0.08 0.51 0.00 0.00 175.35 174.69 2wdj s VAL 122 N 1.27 4.84 0.04 3.17 1.01 -1.26 -1.88 120.40 127.59 2wdj s VAL 122 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 2wdj s VAL 122 Cb -0.25 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2wdj s VAL 122 CO -0.01 0.55 -0.04 -0.31 0.00 0.00 0.00 175.10 175.29 2wdj s TYR 123 N -0.44 0.42 -0.35 5.22 1.51 -0.60 -4.98 117.35 118.14 2wdj s TYR 123 Ca 0.10 -0.74 -0.09 0.00 -1.01 0.00 0.00 57.07 55.33 2wdj s TYR 123 Cb -0.12 -0.30 0.03 0.00 -0.11 0.00 0.00 41.96 41.46 2wdj s TYR 123 CO 0.02 -0.25 0.15 0.00 -1.11 0.00 0.00 175.55 174.36 2wdj s ALA 124 N -2.46 3.16 0.00 3.71 0.00 -1.26 -0.06 121.76 124.85 2wdj s ALA 124 Ca -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.22 2wdj s ALA 124 Cb -0.03 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2wdj s ALA 124 CO -0.04 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 174.83 2wdj n GLY 125 N 4.91 -0.59 0.00 0.00 0.00 -1.26 -4.70 105.19 103.54 2wdj n GLY 125 Ca -0.12 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2wdj n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdj n PRO 126 N 0.00 2.15 -0.53 1.61 -0.04 -1.26 -4.68 135.00 132.25 2wdj n PRO 126 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2wdj n PRO 126 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2wdj n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdj n ASP 127 N 0.00 -1.07 -4.22 3.54 9.92 -1.26 -4.62 116.55 118.85 2wdj n ASP 127 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 2wdj n ASP 127 Cb 0.00 -0.53 -0.14 0.00 -0.64 0.00 0.00 41.12 39.81 2wdj n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2wdj s HIS 128 N 0.00 3.09 -0.72 1.24 -3.43 -1.26 -4.90 115.29 109.31 2wdj s HIS 128 Ca 0.00 -1.48 0.00 0.00 -0.80 0.00 0.00 55.06 52.78 2wdj s HIS 128 Cb 0.00 -2.09 0.00 0.00 -1.43 0.00 0.00 32.58 29.06 2wdj s HIS 128 CO 0.00 -0.71 0.37 -0.35 -2.00 0.00 0.00 174.74 172.05 2wdj n PRO 129 N 4.70 0.00 -3.94 -0.38 -0.04 -1.26 -3.97 135.00 130.10 2wdj n PRO 129 Ca -0.16 0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 63.06 2wdj n PRO 129 Cb 0.47 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 2wdj n PRO 129 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2wdj s HIS 130 N -1.73 3.20 -0.37 0.54 -3.43 -1.26 -5.05 115.29 107.18 2wdj s HIS 130 Ca 0.00 -2.98 -0.15 0.00 -0.80 0.00 0.00 55.06 51.13 2wdj s HIS 130 Cb 0.00 -2.72 0.00 0.00 -1.43 0.00 0.00 32.58 28.43 2wdj s HIS 130 CO 0.00 -0.82 0.33 -1.14 -2.00 0.00 0.00 174.74 171.11 2wdj s GLN 131 N 0.26 3.31 0.00 -0.38 2.00 -1.25 -4.82 119.66 118.78 2wdj s GLN 131 Ca 0.15 -0.69 0.00 0.00 -2.00 0.00 0.00 55.36 52.81 2wdj s GLN 131 Cb -0.23 -3.88 0.00 0.00 0.80 0.00 0.00 33.01 29.70 2wdj s GLN 131 CO -0.04 -0.62 0.00 0.00 -0.50 0.00 0.00 175.29 174.13 2wdj n ALA 132 N 5.29 0.00 -0.48 1.58 0.00 -1.26 -5.11 120.51 120.53 2wdj n ALA 132 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2wdj n ALA 132 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2wdj n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdj n GLN 133 N 0.00 -1.36 0.00 0.00 7.27 -1.26 -5.06 117.38 116.97 2wdj n GLN 133 Ca 0.00 1.02 0.00 0.00 0.07 0.00 0.00 57.00 58.09 2wdj n GLN 133 Cb 0.00 -1.18 0.00 0.00 2.41 0.00 0.00 30.24 31.47 2wdj n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2wdj n ARG 134 N -1.14 0.00 -1.49 3.69 -4.01 -1.26 -4.94 116.66 107.50 2wdj n ARG 134 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 2wdj n ARG 134 Cb 0.03 0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.33 2wdj n ARG 134 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 2wdj n PRO 135 N 0.00 0.31 -1.44 2.89 -0.02 -1.24 -3.68 135.00 131.83 2wdj n PRO 135 Ca 0.00 0.02 -0.38 0.00 -2.02 0.00 0.00 63.50 61.11 2wdj n PRO 135 Cb 0.00 -2.03 0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2wdj n PRO 135 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wdj n GLU 136 N 8.54 0.44 -3.72 -0.52 0.00 -1.26 -2.78 120.64 121.34 2wdj n GLU 136 Ca 0.57 0.17 -0.13 0.00 0.00 0.00 0.00 57.16 57.77 2wdj n GLU 136 Cb 0.16 -1.60 -0.13 0.00 0.00 0.00 0.00 31.44 29.87 2wdj n GLU 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2wdj s LYS 137 N -1.93 0.18 -1.41 5.31 1.02 -0.56 -4.72 119.74 117.63 2wdj s LYS 137 Ca 0.67 0.55 -0.14 0.00 0.02 0.00 0.00 55.97 57.06 2wdj s LYS 137 Cb -0.45 -0.12 0.02 0.00 -0.52 0.00 0.00 37.83 36.75 2wdj s LYS 137 CO 0.56 -0.19 2.23 1.28 -0.92 0.00 0.00 175.35 178.32 2wdj n LEU 138 N 4.42 6.72 0.00 3.17 4.77 -1.26 -4.54 117.00 130.28 2wdj n LEU 138 Ca -0.22 -4.05 0.00 0.00 -0.03 0.00 0.00 56.01 51.71 2wdj n LEU 138 Cb 0.52 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2wdj n LEU 138 CO 0.13 1.03 0.00 1.21 -1.33 0.00 0.00 177.39 178.43