#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgx s SER 2 N 0.00 0.66 -0.33 1.61 0.15 -1.26 -5.12 113.70 109.41 1wgx s SER 2 Ca 0.00 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.16 1wgx s SER 2 Cb 0.00 0.04 0.12 0.00 -1.71 0.00 0.00 66.02 64.47 1wgx s SER 2 CO 0.00 -0.19 0.17 -0.94 1.20 0.00 0.00 173.24 173.48 1wgx s SER 3 N -1.34 3.34 -0.09 5.45 1.04 -1.26 -5.01 113.70 115.83 1wgx s SER 3 Ca -0.10 -1.82 -0.07 0.00 0.48 0.00 0.00 55.95 54.45 1wgx s SER 3 Cb -0.09 -0.47 0.03 0.00 0.10 0.00 0.00 66.02 65.59 1wgx s SER 3 CO 0.00 -0.37 0.13 0.61 0.98 0.00 0.00 173.24 174.60 1wgx n GLY 4 N 4.55 -4.96 3.68 7.32 0.00 -1.26 -4.85 105.19 109.68 1wgx n GLY 4 Ca 0.03 0.90 -0.42 0.00 0.00 0.00 0.00 46.02 46.53 1wgx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgx s SER 5 N -0.51 6.52 -0.70 1.61 0.15 -1.26 -4.89 113.70 114.62 1wgx s SER 5 Ca -0.16 2.58 -0.26 0.00 0.70 0.00 0.00 55.95 58.81 1wgx s SER 5 Cb 0.01 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1wgx s SER 5 CO 0.42 -0.96 1.62 -0.55 1.20 0.00 0.00 173.24 174.96 1wgx s SER 6 N 3.02 5.67 0.00 5.45 0.15 -1.26 -4.73 113.70 122.00 1wgx s SER 6 Ca 0.79 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1wgx s SER 6 Cb -0.42 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 1wgx s SER 6 CO 0.35 -2.15 0.00 0.61 1.20 0.00 0.00 173.24 173.26 1wgx n GLY 7 N 5.69 -1.24 2.77 9.45 0.00 -1.26 -5.05 105.19 115.56 1wgx n GLY 7 Ca 0.15 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 1wgx n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wgx n ASP 8 N -1.41 -5.15 -4.49 1.61 2.03 -1.26 -4.66 116.55 103.23 1wgx n ASP 8 Ca 0.00 1.25 -0.54 0.00 0.52 0.00 0.00 54.79 56.02 1wgx n ASP 8 Cb 0.00 -4.55 -0.08 0.00 -0.72 0.00 0.00 41.12 35.78 1wgx n ASP 8 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1wgx n LYS 9 N 1.30 0.98 -3.52 -0.67 0.00 -1.26 -4.87 118.16 110.11 1wgx n LYS 9 Ca -0.15 0.30 -0.10 0.00 0.00 0.00 0.00 58.31 58.36 1wgx n LYS 9 Cb 0.29 -2.25 -0.02 0.00 0.00 0.00 0.00 35.03 33.06 1wgx n LYS 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wgx s GLU 10 N 5.48 1.24 0.44 1.64 2.02 -1.26 -5.17 118.70 123.10 1wgx s GLU 10 Ca 1.08 -0.51 0.06 0.00 0.02 0.00 0.00 54.97 55.62 1wgx s GLU 10 Cb -1.00 0.53 0.06 0.00 0.10 0.00 0.00 34.13 33.83 1wgx s GLU 10 CO 0.56 -0.55 0.53 0.91 0.02 0.00 0.00 175.26 176.73 1wgx n TRP 11 N -0.37 -1.94 -4.45 1.61 7.02 -1.26 -4.45 117.44 113.60 1wgx n TRP 11 Ca -0.13 -1.69 -0.23 0.00 -1.02 0.00 0.00 57.50 54.43 1wgx n TRP 11 Cb 0.63 -0.40 -0.10 0.00 -2.42 0.00 0.00 31.31 29.02 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 -3.71 3.40 0.24 -0.99 4.22 -1.26 -4.93 114.94 111.91 1wgx s ASN 12 Ca 0.40 -1.02 -0.15 0.00 -2.14 0.00 0.00 52.86 49.95 1wgx s ASN 12 Cb -0.03 -0.27 0.29 0.00 1.28 0.00 0.00 41.25 42.52 1wgx s ASN 12 CO 0.26 0.01 1.56 -0.08 -2.04 0.00 0.00 177.10 176.81 1wgx h GLU 13 N 2.36 -0.02 -0.75 3.55 4.81 -1.98 1.12 114.58 123.67 1wgx h GLU 13 Ca -0.40 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1wgx h GLU 13 Cb 1.25 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.51 1wgx h GLU 13 CO 0.60 -0.02 0.03 0.87 -0.73 0.00 0.00 179.01 179.77 1wgx h LYS 14 N -0.02 0.12 0.22 1.92 6.56 -1.96 0.70 116.57 124.12 1wgx h LYS 14 Ca 0.37 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.94 1wgx h LYS 14 Cb 0.62 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.26 1wgx h LYS 14 CO -0.94 0.08 -0.11 0.93 -2.06 0.00 0.00 179.45 177.36 1wgx h GLU 15 N 0.12 -0.29 0.00 3.15 5.08 0.50 -2.67 114.58 120.48 1wgx h GLU 15 Ca 0.41 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1wgx h GLU 15 Cb 0.73 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1wgx h GLU 15 CO -0.64 0.09 0.00 1.28 -1.00 0.00 0.00 179.01 178.75 1wgx n LEU 16 N -5.01 0.00 -0.31 1.33 7.99 0.24 0.93 117.00 122.16 1wgx n LEU 16 Ca -0.08 0.98 0.30 0.00 -0.01 0.00 0.00 56.01 57.19 1wgx n LEU 16 Cb 0.26 -0.48 0.55 0.00 -0.11 0.00 0.00 43.42 43.64 1wgx n LEU 16 CO 0.28 -0.48 1.00 0.00 -1.51 0.00 0.00 177.39 176.68 1wgx n GLN 17 N -2.50 -0.06 -0.01 3.23 10.64 0.24 0.19 117.38 129.11 1wgx n GLN 17 Ca 0.00 1.33 -0.13 0.00 -1.83 0.00 0.00 57.00 56.37 1wgx n GLN 17 Cb 0.00 -2.37 -0.09 0.00 -0.86 0.00 0.00 30.24 26.92 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 0.05 0.20 2.61 1.57 -0.62 1.34 116.57 121.72 1wgx h LYS 18 Ca 0.80 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.57 1wgx h LYS 18 Cb 2.11 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.40 1wgx h LYS 18 CO -0.75 0.37 -0.21 1.25 -0.57 0.00 0.00 179.45 179.55 1wgx h LEU 19 N -0.29 -0.55 0.71 2.94 5.85 0.88 0.21 115.31 125.07 1wgx h LEU 19 Ca 0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1wgx h LEU 19 Cb 0.35 0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.58 1wgx h LEU 19 CO 0.00 -0.30 -0.34 0.45 -0.34 0.00 0.00 178.44 177.91 1wgx h HIS 20 N -0.44 -0.89 0.00 1.25 3.86 0.05 0.24 115.15 119.22 1wgx h HIS 20 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1wgx h HIS 20 Cb 0.42 0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1wgx h HIS 20 CO -0.16 -0.52 0.00 0.00 0.86 0.00 0.00 177.93 178.11 1wgx h ALA 22 N -1.15 -0.23 -0.96 0.00 0.00 -0.63 1.84 119.26 118.12 1wgx h ALA 22 Ca 0.00 0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.30 1wgx h ALA 22 Cb 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1wgx h ALA 22 CO 0.00 -0.77 0.68 0.35 0.00 0.00 0.00 179.25 179.51 1wgx h PHE 23 N -0.22 0.13 0.00 0.00 3.04 0.13 1.45 116.94 121.47 1wgx h PHE 23 Ca 0.19 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.10 1wgx h PHE 23 Cb 0.56 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 1wgx h PHE 23 CO -0.66 0.02 -0.39 0.00 -2.02 0.00 0.00 178.31 175.27 1wgx h ALA 24 N 1.54 0.05 -0.03 2.41 0.00 0.98 -3.38 119.26 120.82 1wgx h ALA 24 Ca 0.47 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1wgx h ALA 24 Cb 1.73 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 1wgx h ALA 24 CO -0.05 0.28 -0.26 1.03 0.00 0.00 0.00 179.25 180.25 1wgx h SER 25 N -1.00 -0.79 -3.82 0.00 0.87 0.32 -3.41 113.55 105.73 1wgx h SER 25 Ca -0.07 0.11 -0.48 0.00 -1.23 0.00 0.00 61.79 60.12 1wgx h SER 25 Cb 0.60 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 1wgx h SER 25 CO -0.04 -0.32 0.36 -0.76 -0.53 0.00 0.00 176.83 175.53 1wgx s LEU 26 N -10.38 4.50 0.60 2.23 1.43 0.49 -5.03 118.68 112.52 1wgx s LEU 26 Ca -0.15 1.93 -0.15 0.00 -1.03 0.00 0.00 54.13 54.73 1wgx s LEU 26 Cb 0.09 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1wgx s LEU 26 CO 0.66 0.02 1.05 -2.16 0.23 0.00 0.00 176.35 176.15 1wgx s PRO 27 N -1.60 3.33 0.00 1.29 0.04 -1.26 -4.60 135.00 132.20 1wgx s PRO 27 Ca 0.46 1.14 0.26 0.00 0.04 0.00 0.00 61.00 62.89 1wgx s PRO 27 Cb -0.23 -2.04 0.60 0.00 0.04 0.00 0.00 34.50 32.87 1wgx s PRO 27 CO 0.29 -0.79 1.47 1.63 0.04 0.00 0.00 177.00 179.64 1wgx n LYS 28 N -2.14 1.16 -0.14 4.56 4.01 -1.26 -3.67 118.16 120.67 1wgx n LYS 28 Ca 0.08 -0.78 0.06 0.00 -0.51 0.00 0.00 58.31 57.17 1wgx n LYS 28 Cb 0.53 -1.48 0.20 0.00 -0.51 0.00 0.00 35.03 33.77 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 -0.24 0.37 -2.54 2.13 8.25 -1.26 -4.88 115.22 117.05 1wgx n HIS 29 Ca 0.13 -0.18 -0.24 0.00 -0.26 0.00 0.00 57.72 57.16 1wgx n HIS 29 Cb 0.39 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.63 2.68 0.00 -0.41 1.02 -1.24 -5.07 119.74 115.09 1wgx s LYS 30 Ca 0.24 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1wgx s LYS 30 Cb 0.13 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 1wgx s LYS 30 CO 0.17 -0.74 0.09 -0.35 -0.92 0.00 0.00 175.35 173.60 1wgx n PRO 31 N -2.49 0.00 -0.98 -1.68 -0.04 -1.26 -4.20 135.00 124.35 1wgx n PRO 31 Ca 0.06 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.34 1wgx n PRO 31 Cb 0.59 -0.47 -0.11 0.00 -0.04 0.00 0.00 33.50 33.46 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 1.91 3.14 0.36 0.55 0.00 -1.26 -4.57 105.19 105.32 1wgx n GLY 32 Ca 0.00 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 3.93 1.05 -0.13 1.61 3.57 -1.90 0.13 116.94 125.19 1wgx h PHE 33 Ca 0.36 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 1wgx h PHE 33 Cb 1.02 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1wgx h PHE 33 CO 1.77 0.26 0.01 -1.49 -2.23 0.00 0.00 178.31 176.62 1wgx h TRP 34 N 0.77 0.25 -0.73 0.41 -0.00 -1.87 -0.26 115.95 114.51 1wgx h TRP 34 Ca 0.56 -0.04 0.14 0.00 -0.00 0.00 0.00 58.89 59.56 1wgx h TRP 34 Cb 0.87 -0.07 -0.05 0.00 -0.00 0.00 0.00 29.16 29.92 1wgx h TRP 34 CO -0.00 0.45 0.49 0.66 -0.00 0.00 0.00 178.44 180.04 1wgx h SER 35 N -0.03 0.38 0.26 -3.49 4.64 -1.17 0.57 113.55 114.72 1wgx h SER 35 Ca 0.04 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1wgx h SER 35 Cb 0.35 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1wgx h SER 35 CO 0.01 0.20 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.71 1wgx h GLU 36 N 0.41 -0.34 -0.29 4.77 5.08 -0.37 -2.58 114.58 121.26 1wgx h GLU 36 Ca 0.36 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.82 1wgx h GLU 36 Cb 0.81 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1wgx h GLU 36 CO -0.11 -0.23 0.40 -0.39 -1.00 0.00 0.00 179.01 177.69 1wgx h VAL 37 N -0.71 0.28 0.00 3.13 -1.51 -0.73 1.61 116.25 118.32 1wgx h VAL 37 Ca -0.04 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.37 1wgx h VAL 37 Cb 0.27 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 1wgx h VAL 37 CO 0.06 0.00 -0.32 0.00 -1.23 0.00 0.00 177.57 176.08 1wgx h ALA 38 N 1.47 0.92 0.61 5.19 0.00 0.19 0.24 119.26 127.87 1wgx h ALA 38 Ca 0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1wgx h ALA 38 Cb 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wgx h ALA 38 CO -0.00 0.40 -0.30 0.00 0.00 0.00 0.00 179.25 179.35 1wgx h ALA 39 N 1.68 -0.84 -0.01 0.00 0.00 0.28 1.88 119.26 122.25 1wgx h ALA 39 Ca -0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1wgx h ALA 39 Cb 0.97 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1wgx h ALA 39 CO 0.04 -0.97 -0.78 0.00 0.00 0.00 0.00 179.25 177.54 1wgx h ALA 40 N -0.45 0.68 -0.25 0.00 0.00 -1.56 -2.64 119.26 115.06 1wgx h ALA 40 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1wgx h ALA 40 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wgx h ALA 40 CO 0.13 0.92 0.00 0.28 0.00 0.00 0.00 179.25 180.58 1wgx n VAL 41 N -3.67 0.33 -0.04 0.00 0.31 0.07 -4.50 118.33 110.83 1wgx n VAL 41 Ca -0.02 -0.34 0.03 0.00 -0.01 0.00 0.00 64.34 64.00 1wgx n VAL 41 Cb 0.75 0.18 0.05 0.00 -0.91 0.00 0.00 33.84 33.91 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 0.94 -0.10 0.63 2.92 0.00 0.64 0.29 105.19 110.50 1wgx n GLY 42 Ca 0.10 0.09 0.45 0.00 0.00 0.00 0.00 46.02 46.66 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 -3.46 0.00 -2.97 1.61 2.88 -1.26 -4.42 113.62 106.01 1wgx n SER 43 Ca 0.04 0.88 -0.16 0.00 -1.33 0.00 0.00 58.87 58.30 1wgx n SER 43 Cb 0.12 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.12 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 -3.64 0.61 -3.12 -1.46 5.12 0.83 -5.15 116.66 109.84 1wgx n ARG 44 Ca 0.37 -2.31 -0.22 0.00 -1.93 0.00 0.00 57.85 53.76 1wgx n ARG 44 Cb 1.80 1.38 0.01 0.00 -1.16 0.00 0.00 32.46 34.49 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 -2.66 5.91 0.24 0.55 0.01 -1.26 -4.90 113.70 111.59 1wgx s SER 45 Ca 0.17 0.23 0.10 0.00 1.31 0.00 0.00 55.95 57.76 1wgx s SER 45 Cb 0.01 -1.54 0.20 0.00 0.21 0.00 0.00 66.02 64.89 1wgx s SER 45 CO 0.12 -0.60 1.51 1.55 0.41 0.00 0.00 173.24 176.23 1wgx h PRO 46 N 0.53 0.00 0.00 12.44 0.13 -1.90 -2.37 132.00 140.82 1wgx h PRO 46 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1wgx h PRO 46 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1wgx h PRO 46 CO 0.57 0.71 -0.29 0.93 -0.23 0.00 0.00 178.00 179.68 1wgx h GLU 47 N 0.00 0.00 0.16 0.86 5.08 -1.95 -3.01 114.58 115.72 1wgx h GLU 47 Ca -0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 1wgx h GLU 47 Cb 1.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.55 1wgx h GLU 47 CO 0.09 0.29 -1.55 0.93 -1.00 0.00 0.00 179.01 177.78 1wgx h GLU 48 N 0.00 0.33 -0.87 2.33 5.08 -1.93 -3.20 114.58 116.33 1wgx h GLU 48 Ca -0.00 -0.57 0.25 0.00 -1.00 0.00 0.00 59.36 58.04 1wgx h GLU 48 Cb 0.80 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1wgx h GLU 48 CO 0.04 1.23 0.64 0.00 -1.00 0.00 0.00 179.01 179.91 1wgx h GLN 50 N 0.00 -0.22 -0.44 0.00 4.15 -1.59 -2.43 115.11 114.58 1wgx h GLN 50 Ca 0.41 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.93 1wgx h GLN 50 Cb 1.68 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 29.34 1wgx h GLN 50 CO -0.00 0.02 -0.12 0.00 -1.93 0.00 0.00 178.83 176.80 1wgx h ARG 51 N -1.02 -0.01 0.23 1.69 3.08 -1.15 0.64 114.38 117.84 1wgx h ARG 51 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1wgx h ARG 51 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1wgx h ARG 51 CO 0.04 -0.01 -0.27 -0.22 -1.07 0.00 0.00 179.97 178.44 1wgx h LYS 52 N -0.01 -0.49 -0.86 0.04 1.63 -0.44 -2.56 116.57 113.88 1wgx h LYS 52 Ca 0.21 0.03 0.12 0.00 -0.85 0.00 0.00 60.65 60.16 1wgx h LYS 52 Cb 0.33 0.11 -0.13 0.00 -0.60 0.00 0.00 32.23 31.94 1wgx h LYS 52 CO -0.46 -0.33 -0.45 -0.92 -3.45 0.00 0.00 179.45 173.85 1wgx h TYR 53 N -0.51 -1.33 -0.97 1.91 3.20 -1.01 0.43 116.97 118.69 1wgx h TYR 53 Ca -0.03 0.10 0.27 0.00 3.14 0.00 0.00 58.73 62.22 1wgx h TYR 53 Cb 0.45 0.70 -0.18 0.00 1.54 0.00 0.00 36.73 39.24 1wgx h TYR 53 CO -0.20 -0.40 0.06 0.52 -1.64 0.00 0.00 178.16 176.50 1wgx h MET 54 N -0.07 0.02 -0.20 1.82 2.86 -0.63 0.99 114.93 119.71 1wgx h MET 54 Ca 0.25 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1wgx h MET 54 Cb 0.54 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1wgx h MET 54 CO -0.88 0.01 0.06 0.93 1.06 0.00 0.00 176.91 178.10 1wgx h GLU 55 N 0.02 0.31 -2.57 1.72 4.39 0.22 -3.34 114.58 115.34 1wgx h GLU 55 Ca 0.60 -0.07 -0.60 0.00 0.34 0.00 0.00 59.36 59.63 1wgx h GLU 55 Cb 1.26 -0.04 -0.41 0.00 -0.10 0.00 0.00 28.75 29.46 1wgx h GLU 55 CO -0.89 0.41 -0.73 0.09 -1.16 0.00 0.00 179.01 176.73 1wgx n ASN 56 N -4.80 2.15 0.04 1.42 4.13 0.24 -4.88 115.26 113.55 1wgx n ASN 56 Ca -0.04 -3.04 -0.09 0.00 1.68 0.00 0.00 54.58 53.09 1wgx n ASN 56 Cb 0.15 -0.68 -0.06 0.00 -1.54 0.00 0.00 39.78 37.65 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 4.94 -0.19 -0.88 3.52 0.13 0.49 -3.42 132.00 136.60 1wgx h PRO 57 Ca 0.18 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.38 1wgx h PRO 57 Cb 0.78 0.04 -0.21 0.00 0.13 0.00 0.00 31.00 31.74 1wgx h PRO 57 CO 0.65 0.20 -0.31 0.50 -0.23 0.00 0.00 178.00 178.81 1wgx s ARG 58 N -2.89 0.49 0.00 0.86 3.00 -1.26 -5.04 118.95 114.11 1wgx s ARG 58 Ca -0.10 0.52 0.00 0.00 -1.00 0.00 0.00 55.73 55.14 1wgx s ARG 58 Cb -0.00 0.24 0.00 0.00 0.00 0.00 0.00 34.95 35.19 1wgx s ARG 58 CO 0.38 -0.89 0.00 0.41 0.00 0.00 0.00 175.30 175.20 1wgx n GLY 59 N 5.38 -2.68 1.33 8.12 0.00 -1.26 -5.11 105.19 110.97 1wgx n GLY 59 Ca 0.05 -2.08 0.17 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.93 0.00 1.61 3.00 -1.26 -4.88 118.16 113.70 1wgx n LYS 60 Ca 0.00 2.25 0.00 0.00 -0.00 0.00 0.00 58.31 60.56 1wgx n LYS 60 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 35.03 31.55 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 -4.17 0.74 3.00 3.14 0.00 -1.26 -5.04 105.19 101.59 1wgx n GLY 61 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1wgx n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgx s SER 62 N -0.50 4.61 0.26 1.61 0.15 -1.26 -4.83 113.70 113.73 1wgx s SER 62 Ca 0.00 -2.65 0.01 0.00 0.70 0.00 0.00 55.95 54.01 1wgx s SER 62 Cb 0.00 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 1wgx s SER 62 CO 0.00 -0.31 0.43 0.00 1.20 0.00 0.00 173.24 174.56 1wgx s GLN 63 N 0.22 3.49 -0.77 5.44 0.00 -1.26 -4.59 119.66 122.20 1wgx s GLN 63 Ca 0.14 -0.44 -0.01 0.00 -0.00 0.00 0.00 55.36 55.06 1wgx s GLN 63 Cb -0.23 -2.80 -0.00 0.00 0.00 0.00 0.00 33.01 29.98 1wgx s GLN 63 CO -0.03 0.33 0.71 1.17 0.00 0.00 0.00 175.29 177.46 1wgx n LYS 64 N -1.19 -1.39 0.09 9.60 0.00 -1.26 -4.86 118.16 119.14 1wgx n LYS 64 Ca -0.06 1.40 0.00 0.00 0.00 0.00 0.00 58.31 59.65 1wgx n LYS 64 Cb 0.55 -5.50 0.00 0.00 0.00 0.00 0.00 35.03 30.08 1wgx n LYS 64 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1wgx n HIS 65 N -1.93 -3.10 -3.52 5.64 8.25 -1.26 -5.14 115.22 114.16 1wgx n HIS 65 Ca -0.03 0.59 -0.31 0.00 -0.26 0.00 0.00 57.72 57.72 1wgx n HIS 65 Cb 0.52 1.75 -0.04 0.00 1.12 0.00 0.00 29.99 33.33 1wgx n HIS 65 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wgx s VAL 66 N -1.85 5.06 0.71 1.59 0.11 -1.26 -5.05 120.40 119.71 1wgx s VAL 66 Ca 0.00 0.15 -0.16 0.00 -2.93 0.00 0.00 61.98 59.04 1wgx s VAL 66 Cb 0.00 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1wgx s VAL 66 CO 0.00 -0.09 1.04 0.35 -3.33 0.00 0.00 175.10 173.06 1wgx n THR 67 N -0.27 3.13 0.22 5.04 -2.24 -1.26 -4.95 114.28 113.95 1wgx n THR 67 Ca -0.01 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 1wgx n THR 67 Cb 0.53 -1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 67.54 1wgx n THR 67 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wgx h SER 68 N -0.15 -0.47 0.00 3.42 0.02 -2.03 -3.41 113.55 110.92 1wgx h SER 68 Ca -0.48 0.02 -0.40 0.00 -0.84 0.00 0.00 61.79 60.08 1wgx h SER 68 Cb 1.33 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.91 1wgx h SER 68 CO 0.48 -0.30 1.55 0.61 -1.14 0.00 0.00 176.83 178.02 1wgx n GLY 69 N -0.86 -0.42 3.57 -3.77 0.00 -1.26 -4.76 105.19 97.69 1wgx n GLY 69 Ca -0.07 0.80 -0.41 0.00 0.00 0.00 0.00 46.02 46.34 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 7.37 3.15 -0.04 1.61 0.04 -1.26 -4.43 135.00 141.43 1wgx s PRO 70 Ca 1.16 0.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 1wgx s PRO 70 Cb -1.01 -4.19 0.01 0.00 0.04 0.00 0.00 34.50 29.35 1wgx s PRO 70 CO 0.43 -2.13 0.07 0.43 0.04 0.00 0.00 177.00 175.84 1wgx n SER 71 N 10.24 -6.07 -4.69 6.66 7.64 -1.26 -4.87 113.62 121.27 1wgx n SER 71 Ca 0.13 1.46 -0.42 0.00 1.01 0.00 0.00 58.87 61.05 1wgx n SER 71 Cb 0.50 -4.62 -0.03 0.00 -1.01 0.00 0.00 64.21 59.05 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 -0.53 6.92 0.00 6.43 1.04 -1.26 -5.24 113.70 121.06 1wgx s SER 72 Ca -0.08 2.02 0.28 0.00 0.48 0.00 0.00 55.95 58.65 1wgx s SER 72 Cb 0.01 -2.56 1.00 0.00 0.10 0.00 0.00 66.02 64.56 1wgx s SER 72 CO 0.21 -0.67 1.72 0.61 0.98 0.00 0.00 173.24 176.08