#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj h LEU 3 N 0.00 0.01 -0.68 3.14 6.46 -2.06 0.50 115.31 122.68 2wdj h LEU 3 Ca 0.00 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 2wdj h LEU 3 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 2wdj h LEU 3 CO 0.00 0.00 -0.61 -1.28 -0.62 0.00 0.00 178.44 175.93 2wdj h SER 4 N 0.01 0.00 0.06 1.25 0.87 -2.06 -3.02 113.55 110.66 2wdj h SER 4 Ca 0.53 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2wdj h SER 4 Cb 2.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.06 2wdj h SER 4 CO -0.01 0.61 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.54 2wdj h GLU 5 N 0.00 -0.08 -1.24 2.24 5.08 -0.52 -3.27 114.58 116.79 2wdj h GLU 5 Ca -0.01 0.01 0.42 0.00 -1.00 0.00 0.00 59.36 58.78 2wdj h GLU 5 Cb 1.15 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 2wdj h GLU 5 CO 0.08 0.50 0.77 0.28 -1.00 0.00 0.00 179.01 179.64 2wdj h VAL 6 N -0.88 0.11 -0.76 3.13 2.07 -1.12 2.25 116.25 121.06 2wdj h VAL 6 Ca -0.01 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2wdj h VAL 6 Cb 0.62 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2wdj h VAL 6 CO 0.01 0.02 0.30 0.03 0.02 0.00 0.00 177.57 177.95 2wdj h ARG 7 N 0.09 1.13 0.00 1.57 3.08 -1.58 -2.19 114.38 116.49 2wdj h ARG 7 Ca 0.82 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 60.55 2wdj h ARG 7 Cb 2.45 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 32.30 2wdj h ARG 7 CO -0.50 0.92 -0.54 0.87 -1.07 0.00 0.00 179.97 179.66 2wdj h LYS 8 N 1.10 0.00 -0.10 0.04 1.57 0.36 -2.65 116.57 116.89 2wdj h LYS 8 Ca 0.25 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.87 2wdj h LYS 8 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.53 2wdj h LYS 8 CO -0.02 0.54 -0.57 1.96 -0.57 0.00 0.00 179.45 180.78 2wdj h GLN 9 N 0.00 0.56 0.30 3.15 7.50 -0.93 -0.00 115.11 125.69 2wdj h GLN 9 Ca -0.01 -0.47 0.00 0.00 0.50 0.00 0.00 58.65 58.67 2wdj h GLN 9 Cb 1.04 0.10 -0.03 0.00 0.05 0.00 0.00 27.48 28.65 2wdj h GLN 9 CO 0.07 1.10 -0.36 -0.07 -1.50 0.00 0.00 178.83 178.07 2wdj h LEU 10 N 0.18 -0.99 0.23 1.46 3.38 -1.40 -0.22 115.31 117.94 2wdj h LEU 10 Ca -0.04 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wdj h LEU 10 Cb 1.22 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2wdj h LEU 10 CO 0.12 -0.49 -0.17 -0.33 0.09 0.00 0.00 178.44 177.66 2wdj h GLU 11 N -0.71 -0.38 0.00 1.13 5.08 -1.53 0.98 114.58 119.15 2wdj h GLU 11 Ca -0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2wdj h GLU 11 Cb 0.66 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2wdj h GLU 11 CO -0.10 -0.26 0.00 -1.91 -1.00 0.00 0.00 179.01 175.75 2wdj n GLU 12 N -5.29 0.03 -0.10 2.33 2.13 -0.02 -2.49 120.64 117.23 2wdj n GLU 12 Ca -0.09 0.34 -0.19 0.00 0.66 0.00 0.00 57.16 57.88 2wdj n GLU 12 Cb 0.21 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.34 2wdj n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wdj n ALA 13 N -1.39 1.65 0.00 4.31 0.00 -0.10 -4.47 120.51 120.51 2wdj n ALA 13 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2wdj n ALA 13 Cb 0.04 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2wdj n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdj n ARG 14 N -3.63 0.00 -2.68 0.00 5.12 0.33 -1.15 116.66 114.65 2wdj n ARG 14 Ca -0.38 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.43 2wdj n ARG 14 Cb 0.81 -1.42 0.02 0.00 -1.16 0.00 0.00 32.46 30.72 2wdj n ARG 14 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2wdj n LYS 15 N -0.75 1.31 0.00 5.56 2.85 -1.23 -4.88 118.16 121.01 2wdj n LYS 15 Ca 0.00 -3.36 0.00 0.00 -1.05 0.00 0.00 58.31 53.90 2wdj n LYS 15 Cb 0.00 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 2wdj n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wdj n LEU 16 N -0.07 0.00 0.00 -5.58 4.77 -0.30 -5.04 117.00 110.77 2wdj n LEU 16 Ca 0.12 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2wdj n LEU 16 Cb 0.80 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2wdj n LEU 16 CO 0.27 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.79 2wdj n SER 17 N -1.45 -1.68 -0.26 -1.43 3.41 -1.26 -4.35 113.62 106.61 2wdj n SER 17 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 2wdj n SER 17 Cb 0.00 0.92 -0.01 0.00 -0.26 0.00 0.00 64.21 64.85 2wdj n SER 17 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2wdj h PRO 18 N 0.00 -0.14 -1.06 4.33 0.13 -1.97 0.21 132.00 133.50 2wdj h PRO 18 Ca 0.00 0.01 0.36 0.00 -0.87 0.00 0.00 66.00 65.50 2wdj h PRO 18 Cb 0.00 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 31.02 2wdj h PRO 18 CO 0.00 -0.10 0.62 0.28 -0.23 0.00 0.00 178.00 178.58 2wdj h VAL 19 N -0.15 0.23 0.29 1.56 2.07 -1.99 -2.40 116.25 115.86 2wdj h VAL 19 Ca 0.23 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 2wdj h VAL 19 Cb 0.56 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2wdj h VAL 19 CO -0.77 0.04 -0.14 -0.08 0.02 0.00 0.00 177.57 176.65 2wdj h GLU 20 N 0.23 -0.37 -1.01 1.57 4.57 -1.16 -3.34 114.58 115.07 2wdj h GLU 20 Ca 0.76 0.03 0.42 0.00 -1.18 0.00 0.00 59.36 59.39 2wdj h GLU 20 Cb 1.93 0.08 -0.18 0.00 -0.16 0.00 0.00 28.75 30.43 2wdj h GLU 20 CO -0.58 -0.25 0.55 1.28 -1.18 0.00 0.00 179.01 178.83 2wdj n LEU 21 N -4.27 0.34 0.14 1.64 4.77 -0.92 0.24 117.00 118.94 2wdj n LEU 21 Ca -0.05 1.63 0.12 0.00 -0.03 0.00 0.00 56.01 57.68 2wdj n LEU 21 Cb 0.15 -0.80 0.63 0.00 -2.33 0.00 0.00 43.42 41.08 2wdj n LEU 21 CO 0.12 -1.83 1.12 -0.33 -1.33 0.00 0.00 177.39 175.14 2wdj h GLU 22 N 0.00 0.06 -0.05 3.23 5.08 -1.64 0.43 114.58 121.69 2wdj h GLU 22 Ca 0.84 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.97 2wdj h GLU 22 Cb 2.26 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.50 2wdj h GLU 22 CO -0.75 0.04 -0.91 0.87 -1.00 0.00 0.00 179.01 177.26 2wdj h LYS 23 N 0.06 0.62 0.01 2.33 1.57 0.29 -2.32 116.57 119.13 2wdj h LYS 23 Ca 0.10 -0.60 -0.20 0.00 -1.87 0.00 0.00 60.65 58.09 2wdj h LYS 23 Cb 0.34 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2wdj h LYS 23 CO -0.01 1.21 -0.91 1.25 -0.57 0.00 0.00 179.45 180.42 2wdj h LEU 24 N 0.38 0.24 -0.35 2.94 5.85 -1.08 -1.86 115.31 121.43 2wdj h LEU 24 Ca -0.08 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 2wdj h LEU 24 Cb 1.54 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 2wdj h LEU 24 CO 0.17 1.03 -0.03 0.58 -0.34 0.00 0.00 178.44 179.85 2wdj h VAL 25 N 0.09 1.27 -0.14 1.05 2.07 -0.21 0.22 116.25 120.60 2wdj h VAL 25 Ca -0.05 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.45 2wdj h VAL 25 Cb 1.55 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 2wdj h VAL 25 CO 0.14 0.34 0.03 0.03 0.02 0.00 0.00 177.57 178.13 2wdj h ARG 26 N 0.44 0.09 -0.57 1.57 3.08 -1.38 0.21 114.38 117.83 2wdj h ARG 26 Ca 0.10 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.16 2wdj h ARG 26 Cb 0.50 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2wdj h ARG 26 CO 0.02 0.06 0.36 0.93 -1.07 0.00 0.00 179.97 180.27 2wdj h GLU 27 N 0.09 0.69 0.00 0.04 5.08 -1.17 -1.13 114.58 118.19 2wdj h GLU 27 Ca 0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2wdj h GLU 27 Cb 0.05 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2wdj h GLU 27 CO -0.07 0.46 -0.06 0.87 -1.00 0.00 0.00 179.01 179.20 2wdj h LYS 28 N 0.71 0.00 0.00 2.33 1.79 -0.16 -2.55 116.57 118.69 2wdj h LYS 28 Ca 0.22 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.50 2wdj h LYS 28 Cb -0.02 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 2wdj h LYS 28 CO -0.08 0.06 -1.24 0.87 -1.08 0.00 0.00 179.45 177.99 2wdj h LYS 29 N 0.00 0.00 0.00 3.15 1.57 -0.19 -2.73 116.57 118.37 2wdj h LYS 29 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2wdj h LYS 29 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2wdj h LYS 29 CO 0.01 0.50 -0.26 -0.09 -0.57 0.00 0.00 179.45 179.03 2wdj h ARG 30 N 0.00 0.00 0.23 3.15 2.43 -0.83 -2.71 114.38 116.65 2wdj h ARG 30 Ca -0.14 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.70 2wdj h ARG 30 Cb 1.68 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 31.27 2wdj h ARG 30 CO 0.07 0.26 -1.44 0.93 -1.51 0.00 0.00 179.97 178.29 2wdj h GLU 31 N 0.00 0.57 0.00 0.20 5.08 -1.49 -2.77 114.58 116.17 2wdj h GLU 31 Ca -0.00 -0.92 -0.02 0.00 -1.00 0.00 0.00 59.36 57.42 2wdj h GLU 31 Cb 0.77 0.33 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2wdj h GLU 31 CO 0.03 1.44 -0.11 1.25 -1.00 0.00 0.00 179.01 180.62 2wdj h LEU 32 N 0.18 0.00 -0.20 1.33 6.46 -1.38 0.32 115.31 122.01 2wdj h LEU 32 Ca -0.25 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.29 2wdj h LEU 32 Cb 2.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.06 2wdj h LEU 32 CO 0.27 0.11 -0.89 -0.03 -0.62 0.00 0.00 178.44 177.28 2wdj h MET 33 N 0.00 0.50 0.35 1.25 4.05 -1.48 -2.37 114.93 117.22 2wdj h MET 33 Ca -0.00 -0.49 -0.02 0.00 -0.28 0.00 0.00 59.70 58.92 2wdj h MET 33 Cb 0.24 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2wdj h MET 33 CO 0.01 1.12 -0.17 1.49 0.23 0.00 0.00 176.91 179.60 2wdj h GLU 34 N 0.30 -0.45 -0.88 0.39 4.57 -0.72 -0.87 114.58 116.93 2wdj h GLU 34 Ca -0.07 0.03 0.24 0.00 -1.18 0.00 0.00 59.36 58.38 2wdj h GLU 34 Cb 1.51 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 30.16 2wdj h GLU 34 CO 0.16 -0.30 0.62 -0.07 -1.18 0.00 0.00 179.01 178.24 2wdj h LEU 35 N -0.47 0.12 0.10 1.64 3.38 -1.06 -0.84 115.31 118.18 2wdj h LEU 35 Ca -0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2wdj h LEU 35 Cb 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2wdj h LEU 35 CO 0.08 0.04 -0.05 0.03 0.09 0.00 0.00 178.44 178.63 2wdj h ARG 36 N 0.12 -0.13 0.00 1.13 3.08 -0.65 -0.49 114.38 117.44 2wdj h ARG 36 Ca 0.43 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.49 2wdj h ARG 36 Cb 1.53 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.61 2wdj h ARG 36 CO -0.06 0.34 0.00 1.19 -1.07 0.00 0.00 179.97 180.37 2wdj n PHE 37 N -4.91 0.63 -0.06 3.04 3.01 -0.58 0.77 117.46 119.37 2wdj n PHE 37 Ca -0.08 0.26 -0.01 0.00 1.01 0.00 0.00 57.45 58.62 2wdj n PHE 37 Cb 0.27 -0.92 -0.00 0.00 -0.01 0.00 0.00 39.48 38.82 2wdj n PHE 37 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2wdj h GLN 38 N 0.00 0.00 -0.92 -1.08 1.08 -1.11 -3.10 115.11 109.97 2wdj h GLN 38 Ca 0.00 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 2wdj h GLN 38 Cb 0.29 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.66 2wdj h GLN 38 CO 0.00 0.00 0.60 0.00 -0.95 0.00 0.00 178.83 178.48 2wdj h ALA 39 N -1.02 1.50 -0.13 3.87 0.00 -0.92 -2.54 119.26 120.02 2wdj h ALA 39 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2wdj h ALA 39 Cb 0.16 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2wdj h ALA 39 CO 0.00 0.36 -0.43 1.03 0.00 0.00 0.00 179.25 180.22 2wdj h SER 40 N 1.05 -1.34 -0.14 0.00 0.87 0.22 -0.54 113.55 113.67 2wdj h SER 40 Ca 0.40 0.18 -0.21 0.00 -1.23 0.00 0.00 61.79 60.93 2wdj h SER 40 Cb 0.20 0.54 -0.08 0.00 -0.44 0.00 0.00 62.40 62.63 2wdj h SER 40 CO -0.15 -0.43 -0.23 2.30 -0.53 0.00 0.00 176.83 177.79 2wdj n ILE 41 N -5.44 2.91 0.00 2.23 -5.35 -0.96 -4.92 119.36 107.84 2wdj n ILE 41 Ca -0.04 -1.56 0.00 0.00 -0.27 0.00 0.00 62.75 60.88 2wdj n ILE 41 Cb 0.36 -1.87 0.00 0.00 -1.74 0.00 0.00 39.64 36.39 2wdj n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdj n GLY 42 N 2.13 0.64 3.50 3.28 0.00 -0.21 -3.76 105.19 110.77 2wdj n GLY 42 Ca 0.38 0.48 -0.27 0.00 0.00 0.00 0.00 46.02 46.61 2wdj n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wdj n GLN 43 N 0.00 0.04 -0.14 1.61 7.27 -1.26 -2.93 117.38 121.97 2wdj n GLN 43 Ca 0.00 -1.26 0.00 0.00 0.07 0.00 0.00 57.00 55.81 2wdj n GLN 43 Cb 0.00 -3.07 0.00 0.00 2.41 0.00 0.00 30.24 29.58 2wdj n GLN 43 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2wdj n LEU 44 N 13.82 0.00 -3.51 1.69 -0.00 -1.25 -5.09 117.00 122.67 2wdj n LEU 44 Ca 0.41 -0.29 -0.11 0.00 -0.00 0.00 0.00 56.01 56.02 2wdj n LEU 44 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.84 2wdj n LEU 44 CO 0.86 0.64 0.41 -0.55 -0.00 0.00 0.00 177.39 178.74 2wdj s SER 45 N 0.00 -0.50 -0.30 1.96 0.15 -1.15 -4.26 113.70 109.60 2wdj s SER 45 Ca 0.00 -0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 2wdj s SER 45 Cb 0.00 0.62 0.10 0.00 -1.71 0.00 0.00 66.02 65.03 2wdj s SER 45 CO 0.00 -1.04 0.10 -1.10 1.20 0.00 0.00 173.24 172.40 2wdj s GLN 46 N -3.78 0.63 0.00 5.44 -1.52 -1.26 -4.92 119.66 114.24 2wdj s GLN 46 Ca 0.03 -0.95 0.00 0.00 -1.95 0.00 0.00 55.36 52.49 2wdj s GLN 46 Cb -0.02 -1.86 0.00 0.00 -0.22 0.00 0.00 33.01 30.91 2wdj s GLN 46 CO -0.09 -0.97 0.00 0.09 -0.25 0.00 0.00 175.29 174.07 2wdj n ASN 47 N 4.92 0.00 -0.13 5.90 3.02 -1.26 -2.33 115.26 125.38 2wdj n ASN 47 Ca -0.03 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.65 2wdj n ASN 47 Cb 0.42 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.79 2wdj n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdj n HIS 48 N 0.00 0.00 -0.29 3.10 1.44 -1.26 0.14 115.22 118.36 2wdj n HIS 48 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 2wdj n HIS 48 Cb 0.00 -0.12 0.14 0.00 0.12 0.00 0.00 29.99 30.13 2wdj n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2wdj h LYS 49 N 0.00 0.83 0.21 -1.40 1.79 -1.89 -0.10 116.57 116.00 2wdj h LYS 49 Ca 0.22 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 2wdj h LYS 49 Cb 1.10 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2wdj h LYS 49 CO -0.00 0.55 -0.10 0.82 -1.08 0.00 0.00 179.45 179.63 2wdj h ILE 50 N 0.85 0.00 0.00 1.86 1.08 -0.55 -0.93 117.51 119.83 2wdj h ILE 50 Ca 0.37 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 2wdj h ILE 50 Cb 0.24 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 2wdj h ILE 50 CO -0.20 0.00 0.16 0.08 -0.69 0.00 0.00 178.15 177.50 2wdj h ARG 51 N -0.38 0.00 0.00 2.37 0.11 -1.71 0.56 114.38 115.33 2wdj h ARG 51 Ca -0.03 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 2wdj h ARG 51 Cb 0.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.30 2wdj h ARG 51 CO 0.05 0.00 -0.19 0.22 0.10 0.00 0.00 179.97 180.15 2wdj h ASP 52 N 0.00 0.00 -0.76 0.08 3.58 -0.93 -3.13 116.42 115.26 2wdj h ASP 52 Ca 0.00 -0.06 0.07 0.00 0.42 0.00 0.00 57.03 57.46 2wdj h ASP 52 Cb 0.33 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.32 2wdj h ASP 52 CO 0.00 0.62 0.44 0.25 -2.88 0.00 0.00 179.24 177.68 2wdj h LEU 53 N -1.00 0.66 -0.51 2.28 6.46 -0.34 -1.59 115.31 121.28 2wdj h LEU 53 Ca -0.01 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 2wdj h LEU 53 Cb 0.23 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 39.98 2wdj h LEU 53 CO -0.00 0.42 -0.47 0.50 -0.62 0.00 0.00 178.44 178.26 2wdj h LYS 54 N 0.79 -0.21 0.00 1.25 3.64 -0.04 0.66 116.57 122.66 2wdj h LYS 54 Ca 0.34 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2wdj h LYS 54 Cb 0.22 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2wdj h LYS 54 CO -0.19 -0.14 0.00 0.00 -2.27 0.00 0.00 179.45 176.85 2wdj h ARG 55 N -0.22 0.00 0.85 1.90 3.08 -1.32 -2.67 114.38 116.00 2wdj h ARG 55 Ca 0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2wdj h ARG 55 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.50 2wdj h ARG 55 CO -0.59 0.00 -0.41 1.96 -1.07 0.00 0.00 179.97 179.86 2wdj h GLN 56 N 0.00 -1.09 -1.00 0.04 1.08 0.12 0.20 115.11 114.46 2wdj h GLN 56 Ca 0.00 0.07 0.24 0.00 -1.45 0.00 0.00 58.65 57.52 2wdj h GLN 56 Cb 0.17 0.25 -0.12 0.00 -0.05 0.00 0.00 27.48 27.73 2wdj h GLN 56 CO 0.00 -0.73 0.59 0.82 -0.95 0.00 0.00 178.83 178.56 2wdj h ILE 57 N -1.16 0.54 -0.38 2.54 1.08 -1.07 0.56 117.51 119.61 2wdj h ILE 57 Ca -0.12 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.19 2wdj h ILE 57 Cb 0.87 -0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.49 2wdj h ILE 57 CO 0.19 0.11 0.16 0.00 -0.69 0.00 0.00 178.15 177.91 2wdj h ALA 58 N 1.73 0.46 0.16 1.87 0.00 -1.07 -1.15 119.26 121.25 2wdj h ALA 58 Ca 0.64 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.57 2wdj h ALA 58 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wdj h ALA 58 CO -0.47 -0.22 -0.07 0.00 0.00 0.00 0.00 179.25 178.48 2wdj h ARG 59 N 0.33 -0.20 -0.84 0.00 3.08 0.30 -1.84 114.38 115.21 2wdj h ARG 59 Ca 0.17 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.39 2wdj h ARG 59 Cb 0.12 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 30.06 2wdj h ARG 59 CO -0.15 0.15 -0.28 -0.07 -1.07 0.00 0.00 179.97 178.55 2wdj h LEU 60 N -0.58 -1.02 -0.24 3.04 3.38 -0.24 -1.13 115.31 118.53 2wdj h LEU 60 Ca -0.02 0.27 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 2wdj h LEU 60 Cb 0.44 0.59 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2wdj h LEU 60 CO 0.04 -0.29 -0.45 -0.07 0.09 0.00 0.00 178.44 177.76 2wdj h LEU 61 N -0.03 0.80 -2.39 1.67 3.38 -1.26 0.67 115.31 118.16 2wdj h LEU 61 Ca 0.36 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.82 2wdj h LEU 61 Cb 0.61 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2wdj h LEU 61 CO -0.87 1.19 0.11 0.74 0.09 0.00 0.00 178.44 179.69 2wdj h THR 62 N 0.44 0.43 0.01 0.22 2.02 -0.41 0.46 112.91 116.08 2wdj h THR 62 Ca 0.01 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.04 2wdj h THR 62 Cb 1.05 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 2wdj h THR 62 CO 0.10 0.00 -0.80 0.58 0.37 0.00 0.00 175.52 175.77 2wdj h VAL 63 N 0.00 1.24 -0.66 3.16 2.07 -1.00 -2.69 116.25 118.37 2wdj h VAL 63 Ca 0.04 -2.25 0.16 0.00 0.82 0.00 0.00 66.70 65.47 2wdj h VAL 63 Cb 0.25 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 2wdj h VAL 63 CO -0.00 0.44 0.46 0.25 0.02 0.00 0.00 177.57 178.74 2wdj h LEU 64 N -0.97 0.17 0.01 2.57 6.46 -0.10 -0.47 115.31 122.98 2wdj h LEU 64 Ca -0.22 0.01 -0.26 0.00 -0.12 0.00 0.00 57.88 57.29 2wdj h LEU 64 Cb 1.21 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 41.13 2wdj h LEU 64 CO -0.12 0.09 -1.13 0.78 -0.62 0.00 0.00 178.44 177.43 2wdj h ASN 65 N 0.18 0.60 0.51 1.25 4.21 -0.20 -3.19 115.58 118.94 2wdj h ASN 65 Ca 0.32 -0.55 0.00 0.00 1.21 0.00 0.00 56.30 57.28 2wdj h ASN 65 Cb 1.01 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.02 2wdj h ASN 65 CO -0.06 1.38 0.00 -1.84 -1.29 0.00 0.00 177.43 175.63 2wdj n GLU 66 N -3.69 0.16 -0.09 0.81 0.28 -0.22 -2.86 120.64 115.04 2wdj n GLU 66 Ca -0.09 0.47 -0.19 0.00 -0.16 0.00 0.00 57.16 57.19 2wdj n GLU 66 Cb 0.94 -1.85 -0.12 0.00 1.43 0.00 0.00 31.44 31.84 2wdj n GLU 66 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2wdj h LYS 67 N 0.00 0.01 0.00 3.44 1.79 -1.48 -3.36 116.57 116.97 2wdj h LYS 67 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2wdj h LYS 67 Cb 0.25 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2wdj h LYS 67 CO 0.00 1.01 0.00 0.54 -1.08 0.00 0.00 179.45 179.92 2wdj n ARG 68 N -4.49 0.00 -0.78 3.15 5.12 -1.13 -2.20 116.66 116.32 2wdj n ARG 68 Ca -0.23 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.66 2wdj n ARG 68 Cb 0.61 -0.92 0.20 0.00 -1.16 0.00 0.00 32.46 31.19 2wdj n ARG 68 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wdj n ARG 69 N -0.02 1.84 0.00 5.56 1.74 -1.26 -4.55 116.66 119.97 2wdj n ARG 69 Ca 0.00 -3.19 0.00 0.00 -0.77 0.00 0.00 57.85 53.89 2wdj n ARG 69 Cb 0.00 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 2wdj n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdj n GLN 70 N -1.11 0.00 -0.18 5.56 10.64 -0.93 -4.94 117.38 126.42 2wdj n GLN 70 Ca 0.32 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.60 2wdj n GLN 70 Cb 1.00 0.00 0.25 0.00 -0.86 0.00 0.00 30.24 30.63 2wdj n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2wdj n ASN 71 N 0.00 3.10 0.00 2.61 3.02 -1.24 -5.21 115.26 117.54 2wdj n ASN 71 Ca 0.00 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 2wdj n ASN 71 Cb 0.00 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2wdj n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64