#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgx h SER 2 N 0.00 0.00 0.00 1.61 0.87 -2.08 -3.47 113.55 110.48 1wgx h SER 2 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1wgx h SER 2 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1wgx h SER 2 CO 0.00 0.61 0.00 -0.24 -0.53 0.00 0.00 176.83 176.67 1wgx n SER 3 N -4.73 0.00 0.00 6.23 2.88 -1.26 -3.91 113.62 112.83 1wgx n SER 3 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1wgx n SER 3 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1wgx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgx n GLY 4 N 0.00 -2.03 2.56 0.46 0.00 -1.26 -5.05 105.19 99.86 1wgx n GLY 4 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 46.02 46.58 1wgx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgx n SER 5 N -1.56 -2.86 -1.40 1.61 7.64 -1.25 -4.87 113.62 110.93 1wgx n SER 5 Ca 0.00 1.47 0.17 0.00 1.01 0.00 0.00 58.87 61.52 1wgx n SER 5 Cb 0.00 -5.07 -0.08 0.00 -1.01 0.00 0.00 64.21 58.05 1wgx n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgx n SER 6 N 1.81 -7.72 -4.17 6.43 2.88 -1.26 -4.78 113.62 106.80 1wgx n SER 6 Ca -0.30 1.21 -0.42 0.00 -1.33 0.00 0.00 58.87 58.03 1wgx n SER 6 Cb 0.47 -4.70 -0.02 0.00 -0.75 0.00 0.00 64.21 59.21 1wgx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgx n GLY 7 N -4.24 -0.58 0.00 0.46 0.00 -1.26 -4.90 105.19 94.67 1wgx n GLY 7 Ca -0.07 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1wgx n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wgx n ASP 8 N -2.41 0.00 -1.50 1.61 8.00 -1.26 -5.05 116.55 115.94 1wgx n ASP 8 Ca -0.19 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.33 1wgx n ASP 8 Cb 0.61 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.78 1wgx n ASP 8 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1wgx n LYS 9 N -0.04 0.91 -0.95 -1.24 0.00 -1.26 -4.92 118.16 110.66 1wgx n LYS 9 Ca 0.00 -2.71 -0.35 0.00 -0.00 0.00 0.00 58.31 55.26 1wgx n LYS 9 Cb 0.00 -0.81 0.09 0.00 -0.00 0.00 0.00 35.03 34.31 1wgx n LYS 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wgx n GLU 10 N -0.16 -0.10 -2.14 -1.58 1.02 -1.26 -5.00 120.64 111.43 1wgx n GLU 10 Ca 0.12 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 1wgx n GLU 10 Cb 0.97 -1.59 0.05 0.00 -0.02 0.00 0.00 31.44 30.85 1wgx n GLU 10 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1wgx n TRP 11 N -3.01 -2.71 -4.39 -0.32 7.02 -1.26 -5.13 117.44 107.64 1wgx n TRP 11 Ca 0.05 -1.28 -0.25 0.00 -1.02 0.00 0.00 57.50 55.01 1wgx n TRP 11 Cb 0.53 -0.38 -0.09 0.00 -2.42 0.00 0.00 31.31 28.95 1wgx n TRP 11 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1wgx s ASN 12 N -3.36 4.04 0.22 -0.99 4.22 -1.26 -4.93 114.94 112.88 1wgx s ASN 12 Ca 0.39 -1.00 -0.14 0.00 -2.14 0.00 0.00 52.86 49.97 1wgx s ASN 12 Cb -0.03 -0.49 0.25 0.00 1.28 0.00 0.00 41.25 42.26 1wgx s ASN 12 CO 0.25 -0.17 1.61 -0.33 -2.04 0.00 0.00 177.10 176.42 1wgx h GLU 13 N 1.93 -0.03 -0.57 3.55 4.39 -2.00 1.07 114.58 122.91 1wgx h GLU 13 Ca -0.42 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.39 1wgx h GLU 13 Cb 1.25 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.81 1wgx h GLU 13 CO 0.66 -0.02 -0.10 0.87 -1.16 0.00 0.00 179.01 179.26 1wgx h LYS 14 N -0.03 0.03 -0.04 2.33 1.57 -1.98 0.81 116.57 119.26 1wgx h LYS 14 Ca 0.32 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1wgx h LYS 14 Cb 0.53 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1wgx h LYS 14 CO -0.72 0.02 -0.01 0.93 -0.57 0.00 0.00 179.45 179.10 1wgx h GLU 15 N 0.03 0.07 0.00 3.15 5.08 -0.83 -2.27 114.58 119.81 1wgx h GLU 15 Ca 0.28 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1wgx h GLU 15 Cb 0.43 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wgx h GLU 15 CO -0.56 0.41 0.00 1.28 -1.00 0.00 0.00 179.01 179.14 1wgx n LEU 16 N -4.87 0.00 -0.31 1.33 7.99 0.33 0.14 117.00 121.61 1wgx n LEU 16 Ca -0.07 0.96 0.31 0.00 -0.01 0.00 0.00 56.01 57.20 1wgx n LEU 16 Cb 0.21 -0.46 0.57 0.00 -0.11 0.00 0.00 43.42 43.63 1wgx n LEU 16 CO 0.34 -0.46 1.03 0.00 -1.51 0.00 0.00 177.39 176.79 1wgx n GLN 17 N -2.20 -0.06 0.22 3.23 10.64 0.27 0.12 117.38 129.60 1wgx n GLN 17 Ca 0.00 1.34 -0.15 0.00 -1.83 0.00 0.00 57.00 56.37 1wgx n GLN 17 Cb 0.00 -2.41 -0.08 0.00 -0.86 0.00 0.00 30.24 26.89 1wgx n GLN 17 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1wgx h LYS 18 N 0.00 -0.52 0.27 2.61 1.57 -0.70 1.42 116.57 121.22 1wgx h LYS 18 Ca 0.83 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.65 1wgx h LYS 18 Cb 2.18 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 34.58 1wgx h LYS 18 CO -0.75 -0.25 -0.34 1.25 -0.57 0.00 0.00 179.45 178.79 1wgx h LEU 19 N -0.72 -0.95 0.79 2.94 5.85 0.51 0.21 115.31 123.95 1wgx h LEU 19 Ca -0.05 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1wgx h LEU 19 Cb 0.50 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1wgx h LEU 19 CO 0.09 -0.46 -0.49 0.45 -0.34 0.00 0.00 178.44 177.68 1wgx h HIS 20 N -0.67 -1.32 0.00 1.25 3.86 -0.18 0.43 115.15 118.53 1wgx h HIS 20 Ca -0.01 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1wgx h HIS 20 Cb 0.63 0.47 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1wgx h HIS 20 CO -0.23 -0.73 0.00 0.00 0.86 0.00 0.00 177.93 177.82 1wgx h ALA 22 N -1.15 -0.52 -1.79 0.00 0.00 -0.55 1.23 119.26 116.49 1wgx h ALA 22 Ca 0.00 0.01 0.53 0.00 0.00 0.00 0.00 54.91 55.44 1wgx h ALA 22 Cb 0.00 0.97 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 1wgx h ALA 22 CO 0.00 -0.67 1.27 0.35 0.00 0.00 0.00 179.25 180.20 1wgx h PHE 23 N -0.18 0.07 0.00 0.00 3.04 0.80 1.51 116.94 122.17 1wgx h PHE 23 Ca 0.04 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 1wgx h PHE 23 Cb 0.30 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 1wgx h PHE 23 CO -0.71 -0.03 -0.28 0.00 -2.02 0.00 0.00 178.31 175.27 1wgx h ALA 24 N 1.14 0.04 0.14 2.41 0.00 0.71 -3.38 119.26 120.31 1wgx h ALA 24 Ca 0.88 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 55.40 1wgx h ALA 24 Cb 3.42 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 21.39 1wgx h ALA 24 CO -0.06 0.21 -0.28 1.03 0.00 0.00 0.00 179.25 180.14 1wgx h SER 25 N -1.00 -0.79 -3.77 0.00 0.87 0.50 -3.41 113.55 105.95 1wgx h SER 25 Ca -0.05 0.09 -0.49 0.00 -1.23 0.00 0.00 61.79 60.11 1wgx h SER 25 Cb 0.53 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 1wgx h SER 25 CO -0.03 -0.37 0.36 -0.76 -0.53 0.00 0.00 176.83 175.50 1wgx s LEU 26 N -10.28 4.60 0.65 2.23 1.43 0.48 -5.04 118.68 112.74 1wgx s LEU 26 Ca -0.16 1.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.78 1wgx s LEU 26 Cb 0.08 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1wgx s LEU 26 CO 0.65 0.10 1.05 -2.16 0.23 0.00 0.00 176.35 176.22 1wgx s PRO 27 N -1.33 3.15 0.00 1.29 0.04 -1.26 -4.56 135.00 132.33 1wgx s PRO 27 Ca 0.43 1.05 0.26 0.00 0.04 0.00 0.00 61.00 62.77 1wgx s PRO 27 Cb -0.26 -2.02 0.66 0.00 0.04 0.00 0.00 34.50 32.93 1wgx s PRO 27 CO 0.32 -0.94 1.51 1.63 0.04 0.00 0.00 177.00 179.56 1wgx n LYS 28 N -2.62 1.59 0.00 4.56 4.01 -1.26 -3.67 118.16 120.77 1wgx n LYS 28 Ca 0.08 -1.09 0.14 0.00 -0.51 0.00 0.00 58.31 56.92 1wgx n LYS 28 Cb 0.53 -1.48 0.55 0.00 -0.51 0.00 0.00 35.03 34.12 1wgx n LYS 28 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1wgx n HIS 29 N 0.25 0.00 -1.67 2.13 8.25 -1.26 -4.87 115.22 118.05 1wgx n HIS 29 Ca 0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.31 1wgx n HIS 29 Cb 0.42 -0.25 0.06 0.00 1.12 0.00 0.00 29.99 31.34 1wgx n HIS 29 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1wgx s LYS 30 N -2.66 2.73 0.00 -0.41 1.02 -1.24 -5.04 119.74 114.14 1wgx s LYS 30 Ca 0.23 0.72 0.00 0.00 0.02 0.00 0.00 55.97 56.94 1wgx s LYS 30 Cb 0.19 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1wgx s LYS 30 CO 0.52 -1.18 0.17 -0.35 -0.92 0.00 0.00 175.35 173.59 1wgx n PRO 31 N -3.15 0.00 -0.96 -1.68 -0.04 -1.26 -4.09 135.00 123.82 1wgx n PRO 31 Ca 0.07 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1wgx n PRO 31 Cb 0.55 -0.81 -0.16 0.00 -0.04 0.00 0.00 33.50 33.04 1wgx n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wgx n GLY 32 N 1.57 2.92 0.38 0.55 0.00 -1.26 -4.53 105.19 104.81 1wgx n GLY 32 Ca 0.00 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 45.00 1wgx n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wgx h PHE 33 N 3.14 0.75 0.15 1.61 3.57 -1.89 0.82 116.94 125.08 1wgx h PHE 33 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1wgx h PHE 33 Cb 1.45 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1wgx h PHE 33 CO 1.76 0.26 -0.07 -1.49 -2.23 0.00 0.00 178.31 176.53 1wgx h TRP 34 N 0.61 -0.18 -0.94 0.41 -0.00 -1.88 -1.04 115.95 112.93 1wgx h TRP 34 Ca 0.45 -0.00 0.24 0.00 -0.00 0.00 0.00 58.89 59.58 1wgx h TRP 34 Cb 0.82 0.06 -0.06 0.00 -0.00 0.00 0.00 29.16 29.98 1wgx h TRP 34 CO -0.00 0.21 0.64 0.66 -0.00 0.00 0.00 178.44 179.95 1wgx h SER 35 N -0.64 0.27 0.24 -3.49 4.64 -1.50 0.74 113.55 113.81 1wgx h SER 35 Ca -0.02 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1wgx h SER 35 Cb 0.48 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1wgx h SER 35 CO 0.03 0.09 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.64 1wgx h GLU 36 N 0.25 -0.31 -0.34 4.77 5.08 -0.65 -2.48 114.58 120.90 1wgx h GLU 36 Ca 0.49 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.96 1wgx h GLU 36 Cb 1.47 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1wgx h GLU 36 CO -0.14 -0.21 0.41 -0.39 -1.00 0.00 0.00 179.01 177.69 1wgx h VAL 37 N -0.62 0.33 0.00 3.13 -1.51 -0.57 1.59 116.25 118.59 1wgx h VAL 37 Ca -0.03 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.38 1wgx h VAL 37 Cb 0.25 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1wgx h VAL 37 CO 0.05 0.00 -0.29 0.00 -1.23 0.00 0.00 177.57 176.11 1wgx h ALA 38 N 1.50 0.94 0.56 5.19 0.00 0.52 0.82 119.26 128.79 1wgx h ALA 38 Ca 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1wgx h ALA 38 Cb 0.98 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1wgx h ALA 38 CO -0.00 0.36 -0.27 0.00 0.00 0.00 0.00 179.25 179.34 1wgx h ALA 39 N 1.71 -0.75 0.00 0.00 0.00 0.28 1.84 119.26 122.34 1wgx h ALA 39 Ca -0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 1wgx h ALA 39 Cb 0.91 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1wgx h ALA 39 CO 0.04 -0.91 -0.88 0.00 0.00 0.00 0.00 179.25 177.49 1wgx h ALA 40 N -0.32 0.49 -0.19 0.00 0.00 -1.55 -2.76 119.26 114.94 1wgx h ALA 40 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1wgx h ALA 40 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wgx h ALA 40 CO 0.13 0.89 0.00 0.28 0.00 0.00 0.00 179.25 180.54 1wgx n VAL 41 N -3.68 0.25 -0.03 0.00 0.31 0.28 -4.48 118.33 110.97 1wgx n VAL 41 Ca -0.04 -0.26 0.03 0.00 -0.01 0.00 0.00 64.34 64.05 1wgx n VAL 41 Cb 0.81 0.13 0.05 0.00 -0.91 0.00 0.00 33.84 33.92 1wgx n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wgx n GLY 42 N 0.85 -0.10 0.63 2.92 0.00 0.62 0.27 105.19 110.38 1wgx n GLY 42 Ca 0.08 0.09 0.46 0.00 0.00 0.00 0.00 46.02 46.65 1wgx n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgx n SER 43 N -3.44 0.00 -3.08 1.61 2.88 -1.26 -4.40 113.62 105.94 1wgx n SER 43 Ca 0.03 0.88 -0.17 0.00 -1.33 0.00 0.00 58.87 58.28 1wgx n SER 43 Cb 0.11 -0.43 -0.05 0.00 -0.75 0.00 0.00 64.21 63.10 1wgx n SER 43 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wgx n ARG 44 N -3.66 0.68 -3.29 -1.46 5.12 0.76 -5.17 116.66 109.65 1wgx n ARG 44 Ca 0.38 -2.34 -0.22 0.00 -1.93 0.00 0.00 57.85 53.74 1wgx n ARG 44 Cb 1.78 1.29 -0.00 0.00 -1.16 0.00 0.00 32.46 34.38 1wgx n ARG 44 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wgx s SER 45 N -2.69 6.07 0.32 0.55 0.01 -1.26 -4.91 113.70 111.79 1wgx s SER 45 Ca 0.14 0.25 0.16 0.00 1.31 0.00 0.00 55.95 57.82 1wgx s SER 45 Cb 0.01 -1.70 0.42 0.00 0.21 0.00 0.00 66.02 64.96 1wgx s SER 45 CO 0.10 -0.46 1.61 1.55 0.41 0.00 0.00 173.24 176.46 1wgx h PRO 46 N 0.67 0.00 0.00 12.44 0.13 -1.90 -2.29 132.00 141.05 1wgx h PRO 46 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1wgx h PRO 46 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1wgx h PRO 46 CO 0.58 0.48 -0.21 0.93 -0.23 0.00 0.00 178.00 179.55 1wgx h GLU 47 N 0.00 0.00 0.07 0.86 5.08 -1.95 -3.12 114.58 115.52 1wgx h GLU 47 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1wgx h GLU 47 Cb 1.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1wgx h GLU 47 CO 0.06 0.21 -1.60 0.93 -1.00 0.00 0.00 179.01 177.61 1wgx h GLU 48 N 0.00 0.14 -0.33 2.33 4.39 -1.92 -3.24 114.58 115.95 1wgx h GLU 48 Ca -0.00 -0.24 0.10 0.00 0.34 0.00 0.00 59.36 59.55 1wgx h GLU 48 Cb 0.93 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1wgx h GLU 48 CO 0.03 0.91 0.30 0.00 -1.16 0.00 0.00 179.01 179.09 1wgx h GLN 50 N 0.00 0.04 0.18 0.00 4.15 -1.62 -2.58 115.11 115.28 1wgx h GLN 50 Ca 0.16 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1wgx h GLN 50 Cb 0.76 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.47 1wgx h GLN 50 CO -0.00 0.94 -0.09 0.00 -1.93 0.00 0.00 178.83 177.75 1wgx h ARG 51 N -0.84 -0.24 0.18 1.69 3.08 -1.15 0.44 114.38 117.54 1wgx h ARG 51 Ca -0.01 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1wgx h ARG 51 Cb 0.98 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 1wgx h ARG 51 CO 0.02 -0.14 -0.43 -0.22 -1.07 0.00 0.00 179.97 178.12 1wgx h LYS 52 N -0.27 -0.68 -0.25 0.04 1.63 -0.22 -1.39 116.57 115.43 1wgx h LYS 52 Ca -0.03 0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.87 1wgx h LYS 52 Cb 0.21 0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 1wgx h LYS 52 CO 0.04 -0.45 -0.09 -0.92 -3.45 0.00 0.00 179.45 174.58 1wgx h TYR 53 N -0.70 -0.20 -0.89 1.91 5.03 -1.35 -1.45 116.97 119.33 1wgx h TYR 53 Ca 0.01 0.02 0.24 0.00 2.58 0.00 0.00 58.73 61.58 1wgx h TYR 53 Cb 0.71 0.13 -0.14 0.00 1.55 0.00 0.00 36.73 38.97 1wgx h TYR 53 CO -0.35 -0.14 0.27 0.52 -1.32 0.00 0.00 178.16 177.14 1wgx h MET 54 N -0.04 0.22 -0.14 1.82 2.86 0.40 0.44 114.93 120.49 1wgx h MET 54 Ca 0.13 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1wgx h MET 54 Cb 0.23 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1wgx h MET 54 CO -0.28 0.14 0.02 0.93 1.06 0.00 0.00 176.91 178.79 1wgx h GLU 55 N 0.23 0.22 -2.80 1.72 5.08 -0.26 -3.34 114.58 115.43 1wgx h GLU 55 Ca 0.57 -0.06 -0.61 0.00 -1.00 0.00 0.00 59.36 58.26 1wgx h GLU 55 Cb 1.16 -0.03 -0.42 0.00 0.50 0.00 0.00 28.75 29.97 1wgx h GLU 55 CO -0.65 0.41 -0.61 0.09 -1.00 0.00 0.00 179.01 177.25 1wgx n ASN 56 N -4.82 2.91 -0.02 1.42 4.13 0.71 -4.83 115.26 114.76 1wgx n ASN 56 Ca -0.05 -3.20 -0.12 0.00 1.68 0.00 0.00 54.58 52.88 1wgx n ASN 56 Cb 0.17 -0.72 -0.10 0.00 -1.54 0.00 0.00 39.78 37.59 1wgx n ASN 56 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1wgx h PRO 57 N 5.08 -0.05 0.00 3.52 0.13 -0.45 -3.42 132.00 136.81 1wgx h PRO 57 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1wgx h PRO 57 Cb 0.74 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1wgx h PRO 57 CO 0.72 0.59 0.00 -2.13 -0.23 0.00 0.00 178.00 176.95 1wgx n ARG 58 N -4.77 0.00 0.00 0.86 0.63 -1.26 -5.04 116.66 107.07 1wgx n ARG 58 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1wgx n ARG 58 Cb 0.33 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.24 1wgx n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wgx n GLY 59 N 0.00 1.85 1.06 5.14 0.00 -1.26 -5.10 105.19 106.88 1wgx n GLY 59 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1wgx n GLY 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wgx n LYS 60 N 0.00 -3.00 0.00 1.61 0.00 -1.26 -5.11 118.16 110.40 1wgx n LYS 60 Ca 0.00 2.20 0.00 0.00 0.00 0.00 0.00 58.31 60.51 1wgx n LYS 60 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 35.03 32.59 1wgx n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wgx n GLY 61 N -0.38 2.68 3.22 3.14 0.00 -1.26 -5.17 105.19 107.42 1wgx n GLY 61 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1wgx n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgx s SER 62 N 1.92 -0.24 -0.06 1.61 1.04 -1.26 -5.17 113.70 111.55 1wgx s SER 62 Ca 0.00 0.31 -0.32 0.00 0.48 0.00 0.00 55.95 56.42 1wgx s SER 62 Cb 0.00 0.45 0.13 0.00 0.10 0.00 0.00 66.02 66.71 1wgx s SER 62 CO 0.00 -0.30 1.35 0.00 0.98 0.00 0.00 173.24 175.27 1wgx s GLN 63 N -0.69 0.24 -0.37 4.02 0.00 -1.26 -5.10 119.66 116.50 1wgx s GLN 63 Ca -0.08 -0.13 0.01 0.00 -0.00 0.00 0.00 55.36 55.16 1wgx s GLN 63 Cb -0.04 0.08 0.28 0.00 0.00 0.00 0.00 33.01 33.33 1wgx s GLN 63 CO 0.02 -0.11 1.19 1.17 0.00 0.00 0.00 175.29 177.57 1wgx n LYS 64 N -0.48 0.30 -3.15 9.60 4.81 -1.26 -5.10 118.16 122.89 1wgx n LYS 64 Ca -0.09 -0.97 0.03 0.00 -0.87 0.00 0.00 58.31 56.42 1wgx n LYS 64 Cb 0.63 -0.50 -0.00 0.00 0.02 0.00 0.00 35.03 35.18 1wgx n LYS 64 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1wgx s HIS 65 N 0.22 -1.58 0.01 5.64 2.46 -1.26 -5.15 115.29 115.63 1wgx s HIS 65 Ca 0.26 0.74 0.04 0.00 0.47 0.00 0.00 55.06 56.56 1wgx s HIS 65 Cb 0.23 0.28 -0.01 0.00 -0.13 0.00 0.00 32.58 32.94 1wgx s HIS 65 CO -0.13 -0.96 -0.11 0.14 -2.47 0.00 0.00 174.74 171.20 1wgx s VAL 66 N 2.57 0.89 0.05 0.89 -7.23 -1.26 -5.15 120.40 111.17 1wgx s VAL 66 Ca 0.14 -0.69 -0.23 0.00 -1.81 0.00 0.00 61.98 59.38 1wgx s VAL 66 Cb -0.07 -0.79 0.06 0.00 0.56 0.00 0.00 36.38 36.14 1wgx s VAL 66 CO -0.21 0.10 0.55 0.28 -0.31 0.00 0.00 175.10 175.51 1wgx s THR 67 N -0.56 0.02 0.25 5.32 -1.32 -1.26 -5.18 115.64 112.91 1wgx s THR 67 Ca 0.02 -0.19 -0.20 0.00 -1.21 0.00 0.00 61.69 60.11 1wgx s THR 67 Cb -0.06 -0.99 0.03 0.00 -1.51 0.00 0.00 72.50 69.97 1wgx s THR 67 CO 0.00 -0.10 0.65 -0.44 -2.21 0.00 0.00 174.62 172.52 1wgx s SER 68 N -2.01 -0.28 0.00 8.08 0.01 -1.26 -5.14 113.70 113.10 1wgx s SER 68 Ca -0.05 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1wgx s SER 68 Cb -0.01 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1wgx s SER 68 CO -0.02 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.01 1wgx n GLY 69 N -0.42 1.87 3.79 3.44 0.00 -1.26 -5.16 105.19 107.45 1wgx n GLY 69 Ca -0.06 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1wgx n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgx s PRO 70 N 0.00 1.43 0.04 1.61 0.04 -1.26 -5.04 135.00 131.82 1wgx s PRO 70 Ca 0.00 0.39 -0.04 0.00 0.04 0.00 0.00 61.00 61.39 1wgx s PRO 70 Cb 0.00 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1wgx s PRO 70 CO 0.00 -2.02 -0.08 0.43 0.04 0.00 0.00 177.00 175.37 1wgx n SER 71 N -3.66 1.30 -4.12 6.66 7.64 -1.26 -5.12 113.62 115.05 1wgx n SER 71 Ca 0.07 0.18 -0.11 0.00 1.01 0.00 0.00 58.87 60.02 1wgx n SER 71 Cb 0.58 -0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 63.27 1wgx n SER 71 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgx s SER 72 N -5.98 0.09 0.00 6.43 1.04 -1.26 -5.39 113.70 108.64 1wgx s SER 72 Ca -0.06 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1wgx s SER 72 Cb 0.01 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1wgx s SER 72 CO 0.10 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.01