#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 5.69 -0.15 1.61 1.04 -1.26 -5.11 113.70 115.52 1wgx s SER 2 Ca 0.00 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 1wgx s SER 2 Cb 0.00 -1.10 0.07 0.00 0.10 0.00 0.00 66.02 65.10 1wgx s SER 2 CO 0.00 -0.75 0.21 -0.55 0.98 0.00 0.00 173.24 173.13 1wgx s SER 3 N -4.29 1.01 0.00 7.02 0.15 -1.26 -5.04 113.70 111.29 1wgx s SER 3 Ca 0.51 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1wgx s SER 3 Cb -0.10 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1wgx s SER 3 CO 0.35 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1wgx n GLY 4 N 5.33 1.56 2.84 9.45 0.00 -1.26 -5.07 105.19 118.05 1wgx n GLY 4 Ca -0.05 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -0.51 -0.30 1.61 0.15 -1.26 -5.00 113.70 108.40 1wgx s SER 5 Ca 0.00 -0.25 -0.06 0.00 0.70 0.00 0.00 55.95 56.35 1wgx s SER 5 Cb 0.00 0.67 0.19 0.00 -1.71 0.00 0.00 66.02 65.17 1wgx s SER 5 CO 0.00 -0.06 0.86 -0.55 1.20 0.00 0.00 173.24 174.69 1wgx s SER 6 N 1.98 -0.90 -0.83 5.45 0.15 -1.26 -5.01 113.70 113.29 1wgx s SER 6 Ca 0.15 0.29 -0.02 0.00 0.70 0.00 0.00 55.95 57.07 1wgx s SER 6 Cb 0.02 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.97 1wgx s SER 6 CO -0.14 -0.17 0.64 0.61 1.20 0.00 0.00 173.24 175.38 1wgx n GLY 7 N 5.34 -1.27 0.00 9.45 0.00 -1.26 -4.96 105.19 112.49 1wgx n GLY 7 Ca 0.02 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.39 0.00 -4.46 1.61 2.03 -1.26 -4.99 116.55 107.09 1wgx n ASP 8 Ca -0.22 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.74 1wgx n ASP 8 Cb 0.64 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.91 1wgx n ASP 8 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1wgx s LYS 9 N -2.00 3.65 0.26 -0.67 2.47 -1.26 -4.97 119.74 117.22 1wgx s LYS 9 Ca 0.00 -0.50 -0.12 0.00 -1.56 0.00 0.00 55.97 53.79 1wgx s LYS 9 Cb 0.00 -3.14 -0.00 0.00 -1.46 0.00 0.00 37.83 33.23 1wgx s LYS 9 CO 0.00 -0.01 0.50 -1.83 0.16 0.00 0.00 175.35 174.17 1wgx s GLU 10 N 1.07 1.61 0.42 4.03 -1.05 -1.26 -5.18 118.70 118.34 1wgx s GLU 10 Ca 0.03 -1.29 -0.03 0.00 -0.15 0.00 0.00 54.97 53.53 1wgx s GLU 10 Cb -0.14 0.48 0.09 0.00 -0.44 0.00 0.00 34.13 34.11 1wgx s GLU 10 CO 0.02 -0.68 0.57 0.91 0.95 0.00 0.00 175.26 177.03 1wgx n TRP 11 N -0.40 -3.41 -4.30 4.83 7.02 -1.26 -5.12 117.44 114.80 1wgx n TRP 11 Ca -0.02 -0.82 -0.18 0.00 -1.02 0.00 0.00 57.50 55.46 1wgx n TRP 11 Cb 0.62 -0.42 -0.11 0.00 -2.42 0.00 0.00 31.31 28.98 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 -3.23 2.32 0.20 -0.99 4.22 -1.26 -4.96 114.94 111.24 1wgx s ASN 12 Ca 0.36 -0.92 -0.18 0.00 -2.14 0.00 0.00 52.86 49.98 1wgx s ASN 12 Cb -0.02 -0.10 0.18 0.00 1.28 0.00 0.00 41.25 42.59 1wgx s ASN 12 CO 0.24 -0.15 1.42 1.21 -2.04 0.00 0.00 177.10 177.78 1wgx n GLU 13 N 0.07 -0.24 -0.30 3.55 4.07 -1.26 0.19 120.64 126.71 1wgx n GLU 13 Ca -0.12 1.40 0.11 0.00 -0.06 0.00 0.00 57.16 58.50 1wgx n GLU 13 Cb 0.59 -2.08 0.25 0.00 -0.06 0.00 0.00 31.44 30.13 1wgx n GLU 13 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1wgx h LYS 14 N 0.00 0.10 0.36 5.31 1.57 -1.98 0.85 116.57 122.78 1wgx h LYS 14 Ca 0.29 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1wgx h LYS 14 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1wgx h LYS 14 CO -0.90 0.07 -0.17 0.93 -0.57 0.00 0.00 179.45 178.80 1wgx h GLU 15 N 0.10 -0.47 -0.01 3.15 5.08 0.17 -2.69 114.58 119.91 1wgx h GLU 15 Ca 0.52 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1wgx h GLU 15 Cb 1.03 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1wgx h GLU 15 CO -0.75 -0.18 -0.02 -0.07 -1.00 0.00 0.00 179.01 176.98 1wgx h LEU 16 N -1.01 -0.08 -0.94 1.33 -0.00 0.12 0.68 115.31 115.40 1wgx h LEU 16 Ca -0.05 0.01 0.36 0.00 -0.00 0.00 0.00 57.88 58.20 1wgx h LEU 16 Cb 0.50 0.03 -0.17 0.00 -0.00 0.00 0.00 40.66 41.03 1wgx h LEU 16 CO 0.08 -0.02 0.40 0.00 -0.00 0.00 0.00 178.44 178.90 1wgx n GLN 17 N -2.74 -0.06 -0.00 1.13 10.64 0.28 0.19 117.38 126.82 1wgx n GLN 17 Ca -0.00 1.32 -0.12 0.00 -1.83 0.00 0.00 57.00 56.36 1wgx n GLN 17 Cb 0.02 -2.30 -0.08 0.00 -0.86 0.00 0.00 30.24 27.01 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 0.03 0.32 2.61 1.57 -0.55 1.28 116.57 121.83 1wgx h LYS 18 Ca 0.75 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.52 1wgx h LYS 18 Cb 1.91 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.19 1wgx h LYS 18 CO -0.76 0.33 -0.32 1.25 -0.57 0.00 0.00 179.45 179.38 1wgx h LEU 19 N -0.26 -0.86 0.69 2.94 5.85 0.80 0.27 115.31 124.74 1wgx h LEU 19 Ca 0.01 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1wgx h LEU 19 Cb 0.31 0.29 0.01 0.00 0.37 0.00 0.00 40.66 41.64 1wgx h LEU 19 CO 0.00 -0.45 -0.33 0.45 -0.34 0.00 0.00 178.44 177.77 1wgx h HIS 20 N -0.67 -0.86 0.00 1.25 3.86 -0.09 0.72 115.15 119.36 1wgx h HIS 20 Ca -0.02 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1wgx h HIS 20 Cb 0.61 0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.36 1wgx h HIS 20 CO -0.19 -0.52 0.00 0.00 0.86 0.00 0.00 177.93 178.08 1wgx h ALA 22 N -1.12 -0.29 -1.26 0.00 0.00 -0.48 1.19 119.26 117.30 1wgx h ALA 22 Ca 0.00 0.06 0.37 0.00 0.00 0.00 0.00 54.91 55.34 1wgx h ALA 22 Cb 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1wgx h ALA 22 CO 0.00 -0.77 0.91 0.35 0.00 0.00 0.00 179.25 179.74 1wgx h PHE 23 N -0.33 0.02 0.00 0.00 3.57 0.20 1.38 116.94 121.79 1wgx h PHE 23 Ca 0.13 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1wgx h PHE 23 Cb 0.54 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1wgx h PHE 23 CO -0.47 -0.00 -0.67 0.00 -2.23 0.00 0.00 178.31 174.94 1wgx h ALA 24 N 1.37 0.10 0.11 2.41 0.00 0.59 -3.39 119.26 120.45 1wgx h ALA 24 Ca 0.61 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1wgx h ALA 24 Cb 2.40 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 20.62 1wgx h ALA 24 CO -0.02 0.46 -0.36 1.03 0.00 0.00 0.00 179.25 180.36 1wgx h SER 25 N -1.00 -1.04 -3.91 0.00 0.87 0.26 -3.41 113.55 105.32 1wgx h SER 25 Ca -0.13 0.12 -0.49 0.00 -1.23 0.00 0.00 61.79 60.06 1wgx h SER 25 Cb 0.80 0.40 0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1wgx h SER 25 CO -0.08 -0.44 0.42 -0.76 -0.53 0.00 0.00 176.83 175.45 1wgx s LEU 26 N -10.30 4.28 0.53 2.23 1.43 0.46 -5.02 118.68 112.30 1wgx s LEU 26 Ca -0.16 2.09 -0.18 0.00 -1.03 0.00 0.00 54.13 54.85 1wgx s LEU 26 Cb 0.08 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.23 1wgx s LEU 26 CO 0.64 -0.35 1.04 -2.16 0.23 0.00 0.00 176.35 175.75 1wgx s PRO 27 N -2.14 3.60 0.00 1.29 0.04 -1.26 -4.64 135.00 131.89 1wgx s PRO 27 Ca 0.53 1.27 0.27 0.00 0.04 0.00 0.00 61.00 63.11 1wgx s PRO 27 Cb -0.25 -2.07 0.76 0.00 0.04 0.00 0.00 34.50 32.98 1wgx s PRO 27 CO 0.31 -0.58 1.57 1.63 0.04 0.00 0.00 177.00 179.97 1wgx n LYS 28 N -1.46 1.64 -0.25 4.56 4.01 -1.26 -3.64 118.16 121.76 1wgx n LYS 28 Ca 0.09 -1.09 0.08 0.00 -0.51 0.00 0.00 58.31 56.87 1wgx n LYS 28 Cb 0.53 -1.48 0.21 0.00 -0.51 0.00 0.00 35.03 33.78 1wgx n LYS 28 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1wgx n HIS 29 N 0.28 0.66 -2.77 2.13 1.44 -1.26 -4.91 115.22 110.78 1wgx n HIS 29 Ca 0.16 -0.32 -0.25 0.00 -2.01 0.00 0.00 57.72 55.30 1wgx n HIS 29 Cb 0.41 -0.01 0.02 0.00 0.12 0.00 0.00 29.99 30.53 1wgx n HIS 29 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1wgx s LYS 30 N -1.38 3.07 0.00 -1.40 1.02 -1.24 -5.07 119.74 114.75 1wgx s LYS 30 Ca 0.32 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.05 1wgx s LYS 30 Cb 0.17 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1wgx s LYS 30 CO 0.21 -0.39 0.17 -0.35 -0.92 0.00 0.00 175.35 174.07 1wgx n PRO 31 N -2.25 0.00 -1.04 -1.68 -0.04 -1.26 -4.12 135.00 124.61 1wgx n PRO 31 Ca 0.02 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.50 1wgx n PRO 31 Cb 0.57 -0.79 -0.16 0.00 -0.04 0.00 0.00 33.50 33.09 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 1.59 3.15 0.38 0.55 0.00 -1.26 -4.56 105.19 105.03 1wgx n GLY 32 Ca 0.00 -1.26 0.15 0.00 0.00 0.00 0.00 46.02 44.91 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 3.16 0.80 0.11 1.61 3.57 -1.90 0.40 116.94 124.69 1wgx h PHE 33 Ca 0.25 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1wgx h PHE 33 Cb 1.39 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1wgx h PHE 33 CO 1.79 0.23 -0.06 -1.49 -2.23 0.00 0.00 178.31 176.55 1wgx h TRP 34 N 0.62 -0.14 -0.91 0.41 -0.00 -1.88 -0.45 115.95 113.59 1wgx h TRP 34 Ca 0.50 -0.00 0.23 0.00 -0.00 0.00 0.00 58.89 59.62 1wgx h TRP 34 Cb 0.94 0.05 -0.06 0.00 -0.00 0.00 0.00 29.16 30.09 1wgx h TRP 34 CO -0.00 0.21 0.62 0.66 -0.00 0.00 0.00 178.44 179.93 1wgx h SER 35 N -0.51 0.23 0.20 -3.49 4.64 -1.38 0.75 113.55 113.99 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 0.41 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1wgx h SER 35 CO 0.03 0.08 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.64 1wgx h GLU 36 N 0.23 -0.26 -0.27 4.77 5.08 -0.63 -2.61 114.58 120.88 1wgx h GLU 36 Ca 0.46 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.92 1wgx h GLU 36 Cb 1.44 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1wgx h GLU 36 CO -0.12 -0.18 0.40 -0.39 -1.00 0.00 0.00 179.01 177.73 1wgx h VAL 37 N -0.62 0.26 0.00 3.13 -1.51 -0.52 1.59 116.25 118.57 1wgx h VAL 37 Ca -0.03 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.36 1wgx h VAL 37 Cb 0.21 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.02 1wgx h VAL 37 CO 0.05 0.00 -0.37 0.00 -1.23 0.00 0.00 177.57 176.01 1wgx h ALA 38 N 1.46 0.89 0.53 5.19 0.00 0.51 0.26 119.26 128.10 1wgx h ALA 38 Ca 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1wgx h ALA 38 Cb 0.92 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1wgx h ALA 38 CO -0.00 0.47 -0.29 0.00 0.00 0.00 0.00 179.25 179.42 1wgx h ALA 39 N 1.63 -0.77 -0.00 0.00 0.00 0.27 1.81 119.26 122.19 1wgx h ALA 39 Ca -0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1wgx h ALA 39 Cb 1.02 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1wgx h ALA 39 CO 0.05 -0.94 -0.83 0.00 0.00 0.00 0.00 179.25 177.53 1wgx h ALA 40 N -0.32 0.60 -0.19 0.00 0.00 -1.56 -2.69 119.26 115.11 1wgx h ALA 40 Ca -0.07 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1wgx h ALA 40 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wgx h ALA 40 CO 0.09 0.91 0.00 0.28 0.00 0.00 0.00 179.25 180.53 1wgx n VAL 41 N -3.67 0.25 -0.04 0.00 0.31 0.08 -4.48 118.33 110.78 1wgx n VAL 41 Ca -0.03 -0.26 0.03 0.00 -0.01 0.00 0.00 64.34 64.07 1wgx n VAL 41 Cb 0.77 0.13 0.05 0.00 -0.91 0.00 0.00 33.84 33.89 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 0.86 -0.10 0.63 2.92 0.00 0.61 0.30 105.19 110.40 1wgx n GLY 42 Ca 0.08 0.09 0.43 0.00 0.00 0.00 0.00 46.02 46.63 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 -2.92 1.61 2.88 -1.26 -4.42 113.62 106.05 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 -0.40 -0.05 0.00 -0.75 0.00 0.00 64.21 63.13 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 -3.62 0.62 -3.25 -1.46 5.12 0.87 -5.16 116.66 109.78 1wgx n ARG 44 Ca 0.36 -2.23 -0.22 0.00 -1.93 0.00 0.00 57.85 53.83 1wgx n ARG 44 Cb 1.80 1.33 0.00 0.00 -1.16 0.00 0.00 32.46 34.42 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 -2.61 6.01 0.28 0.55 0.01 -1.26 -4.90 113.70 111.77 1wgx s SER 45 Ca 0.16 0.21 0.13 0.00 1.31 0.00 0.00 55.95 57.76 1wgx s SER 45 Cb 0.01 -1.62 0.30 0.00 0.21 0.00 0.00 66.02 64.92 1wgx s SER 45 CO 0.11 -0.50 1.56 1.55 0.41 0.00 0.00 173.24 176.37 1wgx h PRO 46 N 0.64 0.00 0.00 12.44 0.13 -1.90 -2.38 132.00 140.93 1wgx h PRO 46 Ca -0.47 0.00 -0.05 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 32.37 1wgx h PRO 46 CO 0.58 0.60 -0.22 0.93 -0.23 0.00 0.00 178.00 179.65 1wgx h GLU 47 N 0.00 0.00 0.11 0.86 5.08 -1.95 -3.05 114.58 115.63 1wgx h GLU 47 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1wgx h GLU 47 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1wgx h GLU 47 CO 0.08 0.22 -1.61 0.93 -1.00 0.00 0.00 179.01 177.63 1wgx h GLU 48 N 0.00 0.24 -0.54 2.33 5.08 -1.92 -3.22 114.58 116.54 1wgx h GLU 48 Ca -0.00 -0.41 0.16 0.00 -1.00 0.00 0.00 59.36 58.10 1wgx h GLU 48 Cb 0.82 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1wgx h GLU 48 CO 0.03 1.09 0.46 0.00 -1.00 0.00 0.00 179.01 179.58 1wgx h GLN 50 N 0.00 0.07 0.40 0.00 4.15 -1.61 -2.54 115.11 115.58 1wgx h GLN 50 Ca 0.26 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1wgx h GLN 50 Cb 1.17 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1wgx h GLN 50 CO -0.00 0.94 -0.19 0.00 -1.93 0.00 0.00 178.83 177.64 1wgx h ARG 51 N -0.76 -0.52 0.06 1.69 3.08 -0.93 0.21 114.38 117.22 1wgx h ARG 51 Ca -0.02 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1wgx h ARG 51 Cb 0.99 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1wgx h ARG 51 CO 0.03 -0.34 -0.12 -0.22 -1.07 0.00 0.00 179.97 178.24 1wgx h LYS 52 N -0.55 -0.19 -0.86 0.04 1.63 -0.25 0.92 116.57 117.31 1wgx h LYS 52 Ca -0.06 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.86 1wgx h LYS 52 Cb 0.42 0.04 -0.12 0.00 -0.60 0.00 0.00 32.23 31.97 1wgx h LYS 52 CO 0.09 -0.13 -0.52 -0.92 -3.45 0.00 0.00 179.45 174.53 1wgx h TYR 53 N -0.20 -1.59 -1.01 1.91 5.03 -1.47 0.82 116.97 120.46 1wgx h TYR 53 Ca -0.01 0.11 0.23 0.00 2.58 0.00 0.00 58.73 61.64 1wgx h TYR 53 Cb 0.19 0.81 -0.12 0.00 1.55 0.00 0.00 36.73 39.16 1wgx h TYR 53 CO -0.24 -0.40 0.60 0.52 -1.32 0.00 0.00 178.16 177.32 1wgx h MET 54 N -0.09 0.62 -0.32 1.82 2.86 -0.72 0.50 114.93 119.61 1wgx h MET 54 Ca 0.19 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.66 1wgx h MET 54 Cb 0.50 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1wgx h MET 54 CO -0.87 0.41 -0.34 0.93 1.06 0.00 0.00 176.91 178.11 1wgx h GLU 55 N 0.64 0.80 -2.51 1.72 5.08 0.30 -3.35 114.58 117.25 1wgx h GLU 55 Ca 0.62 -0.43 -0.60 0.00 -1.00 0.00 0.00 59.36 57.96 1wgx h GLU 55 Cb 1.13 0.02 -0.41 0.00 0.50 0.00 0.00 28.75 29.99 1wgx h GLU 55 CO -0.44 1.06 -0.73 -1.71 -1.00 0.00 0.00 179.01 176.18 1wgx n ASN 56 N -4.18 2.22 0.06 1.42 2.85 0.14 -4.48 115.26 113.30 1wgx n ASN 56 Ca -0.03 -3.06 -0.03 0.00 -0.11 0.00 0.00 54.58 51.34 1wgx n ASN 56 Cb 0.51 -0.68 -0.02 0.00 1.24 0.00 0.00 39.78 40.83 1wgx n ASN 56 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1wgx h PRO 57 N 4.83 -0.21 0.00 1.20 0.13 -0.32 -3.41 132.00 134.21 1wgx h PRO 57 Ca 0.17 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1wgx h PRO 57 Cb 0.77 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1wgx h PRO 57 CO 0.66 -0.14 0.00 0.54 -0.23 0.00 0.00 178.00 178.83 1wgx n ARG 58 N -3.93 0.00 -3.74 0.86 5.12 -1.26 -5.05 116.66 108.66 1wgx n ARG 58 Ca -0.03 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.76 1wgx n ARG 58 Cb 0.09 -0.20 -0.08 0.00 -1.16 0.00 0.00 32.46 31.10 1wgx n ARG 58 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1wgx s GLY 59 N -4.34 -0.19 0.46 -0.13 0.00 -1.26 -5.12 107.32 96.73 1wgx s GLY 59 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1wgx s GLY 59 CO 0.00 0.18 0.00 1.17 0.00 0.00 0.00 173.10 174.45 1wgx n LYS 60 N 1.20 -2.53 0.00 2.90 4.81 -1.26 -5.07 118.16 118.21 1wgx n LYS 60 Ca -0.21 2.06 0.00 0.00 -0.87 0.00 0.00 58.31 59.29 1wgx n LYS 60 Cb 0.56 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.74 1wgx n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wgx n GLY 61 N -3.53 3.93 3.12 3.14 0.00 -1.26 -4.68 105.19 105.90 1wgx n GLY 61 Ca -0.06 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 1.78 0.07 -0.17 1.61 0.15 -1.26 -5.03 113.70 110.84 1wgx s SER 62 Ca 0.00 -0.31 -0.08 0.00 0.70 0.00 0.00 55.95 56.26 1wgx s SER 62 Cb 0.00 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1wgx s SER 62 CO 0.00 -0.42 0.16 1.67 1.20 0.00 0.00 173.24 175.84 1wgx n GLN 63 N 1.20 -3.50 -4.07 5.44 -0.06 -1.26 -5.08 117.38 110.05 1wgx n GLN 63 Ca -0.21 2.76 -0.08 0.00 -2.00 0.00 0.00 57.00 57.46 1wgx n GLN 63 Cb 0.57 -4.34 -0.09 0.00 -4.06 0.00 0.00 30.24 22.31 1wgx n GLN 63 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1wgx s LYS 64 N -0.88 0.80 -0.19 3.69 1.02 -1.26 -5.17 119.74 117.75 1wgx s LYS 64 Ca -0.18 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.25 1wgx s LYS 64 Cb 0.01 0.25 0.14 0.00 -0.52 0.00 0.00 37.83 37.71 1wgx s LYS 64 CO 0.64 -0.21 1.07 -1.58 -0.92 0.00 0.00 175.35 174.35 1wgx s HIS 65 N -3.96 -0.31 -0.04 3.18 2.46 -1.26 -5.16 115.29 110.19 1wgx s HIS 65 Ca 0.14 0.56 0.01 0.00 0.47 0.00 0.00 55.06 56.24 1wgx s HIS 65 Cb 0.07 0.45 0.02 0.00 -0.13 0.00 0.00 32.58 32.99 1wgx s HIS 65 CO -0.05 -0.28 -0.06 0.54 -2.47 0.00 0.00 174.74 172.42 1wgx s VAL 66 N -1.01 0.65 -0.30 0.89 0.11 -1.26 -5.08 120.40 114.39 1wgx s VAL 66 Ca 0.00 -0.21 -0.10 0.00 -2.93 0.00 0.00 61.98 58.74 1wgx s VAL 66 Cb -0.01 -0.63 0.16 0.00 -1.53 0.00 0.00 36.38 34.37 1wgx s VAL 66 CO -0.01 0.24 0.83 0.28 -3.33 0.00 0.00 175.10 173.11 1wgx s THR 67 N 0.72 -0.71 0.01 5.04 -1.32 -1.26 -5.16 115.64 112.95 1wgx s THR 67 Ca -0.11 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.39 1wgx s THR 67 Cb -0.13 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 1wgx s THR 67 CO 0.01 0.00 0.01 -0.55 -2.21 0.00 0.00 174.62 171.88 1wgx s SER 68 N 2.73 5.20 0.00 8.08 0.15 -1.26 -4.89 113.70 123.70 1wgx s SER 68 Ca 0.02 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1wgx s SER 68 Cb -0.10 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 1wgx s SER 68 CO -0.18 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1wgx n GLY 69 N 1.24 1.05 3.78 9.45 0.00 -1.26 -5.17 105.19 114.29 1wgx n GLY 69 Ca -0.14 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 0.53 0.03 1.61 0.04 -1.26 -5.07 135.00 130.88 1wgx s PRO 70 Ca 0.00 0.06 0.06 0.00 0.04 0.00 0.00 61.00 61.16 1wgx s PRO 70 Cb 0.00 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1wgx s PRO 70 CO 0.00 -2.56 -0.16 0.45 0.04 0.00 0.00 177.00 174.77 1wgx s SER 71 N -4.19 3.95 1.01 6.66 0.15 -1.26 -5.11 113.70 114.92 1wgx s SER 71 Ca 0.67 -0.37 -0.14 0.00 0.70 0.00 0.00 55.95 56.82 1wgx s SER 71 Cb -0.11 -0.70 0.08 0.00 -1.71 0.00 0.00 66.02 63.58 1wgx s SER 71 CO 0.54 0.26 0.38 -1.20 1.20 0.00 0.00 173.24 174.42 1wgx n SER 72 N 1.59 -1.96 0.00 5.45 7.64 -1.26 -5.36 113.62 119.72 1wgx n SER 72 Ca -0.16 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1wgx n SER 72 Cb 0.52 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1wgx n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64