#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 6.38 0.10 1.61 1.04 -1.26 -5.11 113.70 116.46 1wgx s SER 2 Ca 0.00 0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.83 1wgx s SER 2 Cb 0.00 -1.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 1wgx s SER 2 CO 0.00 0.11 -0.12 -0.44 0.98 0.00 0.00 173.24 173.76 1wgx s SER 3 N -2.69 4.24 -1.03 7.02 0.01 -1.26 -5.06 113.70 114.93 1wgx s SER 3 Ca 0.36 -0.42 -0.22 0.00 1.31 0.00 0.00 55.95 56.98 1wgx s SER 3 Cb -0.12 -0.76 0.06 0.00 0.21 0.00 0.00 66.02 65.40 1wgx s SER 3 CO 0.28 0.19 1.45 -0.83 0.41 0.00 0.00 173.24 174.73 1wgx s GLY 4 N -2.11 1.32 -0.27 3.44 0.00 -1.26 -4.33 107.32 104.11 1wgx s GLY 4 Ca 0.20 -2.33 -0.06 0.00 0.00 0.00 0.00 44.72 42.53 1wgx s GLY 4 CO 0.12 2.66 0.24 -1.26 0.00 0.00 0.00 173.10 174.86 1wgx n SER 5 N 8.74 -6.22 -4.23 1.64 2.88 -1.26 -5.02 113.62 110.15 1wgx n SER 5 Ca 0.33 0.65 -0.34 0.00 -1.33 0.00 0.00 58.87 58.19 1wgx n SER 5 Cb 0.51 -4.08 -0.15 0.00 -0.75 0.00 0.00 64.21 59.73 1wgx n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgx s SER 6 N -1.71 3.95 0.00 -3.46 0.01 -1.26 -5.09 113.70 106.15 1wgx s SER 6 Ca 0.10 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1wgx s SER 6 Cb -0.03 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1wgx s SER 6 CO 0.55 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.77 1wgx n GLY 7 N 4.72 -1.01 2.71 3.44 0.00 -1.26 -4.98 105.19 108.80 1wgx n GLY 7 Ca -0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -4.07 -0.64 1.61 2.03 -1.26 -4.93 116.55 109.29 1wgx n ASP 8 Ca 0.00 1.32 0.06 0.00 0.52 0.00 0.00 54.79 56.69 1wgx n ASP 8 Cb 0.00 -4.89 0.17 0.00 -0.72 0.00 0.00 41.12 35.68 1wgx n ASP 8 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1wgx n LYS 9 N 1.37 2.85 -0.59 -0.67 0.00 -1.26 -5.03 118.16 114.82 1wgx n LYS 9 Ca -0.22 -2.25 -0.29 0.00 -0.00 0.00 0.00 58.31 55.56 1wgx n LYS 9 Cb 0.36 -1.42 0.18 0.00 -0.00 0.00 0.00 35.03 34.15 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 0.06 -2.09 -3.56 -1.58 1.02 -1.26 -4.98 120.64 108.25 1wgx n GLU 10 Ca 0.14 -0.60 -0.30 0.00 -0.02 0.00 0.00 57.16 56.37 1wgx n GLU 10 Cb 0.55 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 1wgx n GLU 10 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wgx s TRP 11 N -2.19 3.47 0.11 -0.32 0.52 -1.26 -5.09 118.94 114.17 1wgx s TRP 11 Ca 0.53 0.59 -0.01 0.00 0.02 0.00 0.00 56.10 57.23 1wgx s TRP 11 Cb -0.11 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 1wgx s TRP 11 CO 0.58 0.34 0.29 0.54 0.02 0.00 0.00 176.95 178.72 1wgx s ASN 12 N -2.69 6.40 0.51 2.95 2.20 -1.26 -4.87 114.94 118.18 1wgx s ASN 12 Ca 0.42 0.38 0.46 0.00 -0.94 0.00 0.00 52.86 53.19 1wgx s ASN 12 Cb -0.11 -2.00 1.59 0.00 -2.00 0.00 0.00 41.25 38.72 1wgx s ASN 12 CO 0.26 0.10 1.43 1.21 -2.94 0.00 0.00 177.10 177.16 1wgx n GLU 13 N 0.05 -0.00 0.35 3.55 2.13 -1.26 0.16 120.64 125.62 1wgx n GLU 13 Ca -0.04 1.00 -0.17 0.00 0.66 0.00 0.00 57.16 58.60 1wgx n GLU 13 Cb 0.52 -2.30 -0.09 0.00 0.27 0.00 0.00 31.44 29.84 1wgx n GLU 13 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1wgx h LYS 14 N 0.00 -0.83 -0.42 5.31 1.57 -1.99 0.92 116.57 121.12 1wgx h LYS 14 Ca 0.87 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.69 1wgx h LYS 14 Cb 3.47 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 35.95 1wgx h LYS 14 CO -0.02 -0.54 0.21 0.93 -0.57 0.00 0.00 179.45 179.46 1wgx h GLU 15 N -0.93 0.61 0.01 3.15 4.39 0.11 -0.86 114.58 121.06 1wgx h GLU 15 Ca -0.09 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1wgx h GLU 15 Cb 0.68 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1wgx h GLU 15 CO 0.15 0.52 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.43 1wgx h LEU 16 N 0.55 -0.06 -1.42 1.33 -0.00 -1.03 1.27 115.31 115.94 1wgx h LEU 16 Ca 0.15 0.01 0.32 0.00 -0.00 0.00 0.00 57.88 58.35 1wgx h LEU 16 Cb 0.11 0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 40.70 1wgx h LEU 16 CO -0.02 -0.02 0.73 0.06 -0.00 0.00 0.00 178.44 179.19 1wgx h GLN 17 N -0.03 0.27 0.08 1.13 3.07 -0.82 0.59 115.11 119.40 1wgx h GLN 17 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 1wgx h GLN 17 Cb 0.03 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.53 1wgx h GLN 17 CO -0.01 0.18 -0.04 0.87 0.09 0.00 0.00 178.83 179.92 1wgx h LYS 18 N 0.28 -0.10 0.32 0.06 1.57 0.05 1.09 116.57 119.84 1wgx h LYS 18 Ca 0.65 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.43 1wgx h LYS 18 Cb 1.85 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.18 1wgx h LYS 18 CO -0.31 0.22 -0.20 1.25 -0.57 0.00 0.00 179.45 179.85 1wgx h LEU 19 N -0.44 -0.49 0.47 2.94 5.85 0.56 0.26 115.31 124.46 1wgx h LEU 19 Ca -0.01 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1wgx h LEU 19 Cb 0.38 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1wgx h LEU 19 CO 0.02 -0.32 -0.24 0.45 -0.34 0.00 0.00 178.44 178.01 1wgx h HIS 20 N -0.50 -0.62 0.00 1.25 3.86 -0.06 0.62 115.15 119.71 1wgx h HIS 20 Ca -0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1wgx h HIS 20 Cb 0.41 0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.09 1wgx h HIS 20 CO -0.09 -0.38 0.00 0.00 0.86 0.00 0.00 177.93 178.32 1wgx h ALA 22 N -1.42 0.08 -0.86 0.00 0.00 -0.48 1.78 119.26 118.37 1wgx h ALA 22 Ca 0.00 0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.34 1wgx h ALA 22 Cb 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1wgx h ALA 22 CO 0.00 -0.61 0.60 0.35 0.00 0.00 0.00 179.25 179.59 1wgx h PHE 23 N -0.12 0.14 0.00 0.00 3.04 0.12 1.37 116.94 121.49 1wgx h PHE 23 Ca 0.26 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.15 1wgx h PHE 23 Cb 0.55 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1wgx h PHE 23 CO -0.63 0.03 -0.51 0.00 -2.02 0.00 0.00 178.31 175.18 1wgx h ALA 24 N 1.59 0.07 -0.27 2.41 0.00 0.94 -3.38 119.26 120.63 1wgx h ALA 24 Ca 0.42 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1wgx h ALA 24 Cb 1.51 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 1wgx h ALA 24 CO -0.05 0.36 -0.15 1.03 0.00 0.00 0.00 179.25 180.44 1wgx h SER 25 N -1.00 -0.49 -3.84 0.00 0.87 0.28 -3.41 113.55 105.97 1wgx h SER 25 Ca -0.10 0.11 -0.48 0.00 -1.23 0.00 0.00 61.79 60.10 1wgx h SER 25 Cb 0.70 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1wgx h SER 25 CO -0.06 -0.18 0.25 -0.76 -0.53 0.00 0.00 176.83 175.54 1wgx s LEU 26 N -10.51 4.17 0.52 2.23 1.43 0.47 -5.04 118.68 111.94 1wgx s LEU 26 Ca -0.14 1.60 -0.19 0.00 -1.03 0.00 0.00 54.13 54.37 1wgx s LEU 26 Cb 0.12 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 42.18 1wgx s LEU 26 CO 0.69 -0.16 1.04 -2.16 0.23 0.00 0.00 176.35 176.00 1wgx s PRO 27 N -2.54 3.68 0.00 1.29 0.04 -1.26 -4.63 135.00 131.58 1wgx s PRO 27 Ca 0.53 1.31 0.26 0.00 0.04 0.00 0.00 61.00 63.14 1wgx s PRO 27 Cb -0.14 -2.08 0.72 0.00 0.04 0.00 0.00 34.50 33.04 1wgx s PRO 27 CO 0.19 -0.53 1.55 1.63 0.04 0.00 0.00 177.00 179.88 1wgx n LYS 28 N -1.27 1.54 -0.37 4.56 4.01 -1.26 -3.65 118.16 121.71 1wgx n LYS 28 Ca 0.09 -1.03 0.08 0.00 -0.51 0.00 0.00 58.31 56.94 1wgx n LYS 28 Cb 0.53 -1.48 0.25 0.00 -0.51 0.00 0.00 35.03 33.82 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 0.17 0.93 -2.78 2.13 1.44 -1.26 -4.92 115.22 110.93 1wgx n HIS 29 Ca 0.15 -0.41 -0.24 0.00 -2.01 0.00 0.00 57.72 55.22 1wgx n HIS 29 Cb 0.41 -0.10 0.02 0.00 0.12 0.00 0.00 29.99 30.44 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 -1.53 2.94 0.00 -1.40 1.02 -1.24 -5.07 119.74 114.46 1wgx s LYS 30 Ca 0.37 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.96 1wgx s LYS 30 Cb 0.22 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1wgx s LYS 30 CO 0.21 -0.45 0.16 -0.35 -0.92 0.00 0.00 175.35 174.00 1wgx n PRO 31 N -2.25 0.00 -1.05 -1.68 -0.04 -1.26 -4.13 135.00 124.59 1wgx n PRO 31 Ca 0.03 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 1wgx n PRO 31 Cb 0.58 -0.75 -0.15 0.00 -0.04 0.00 0.00 33.50 33.14 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 1.63 3.17 0.38 0.55 0.00 -1.26 -4.56 105.19 105.10 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 3.20 0.73 -0.08 1.61 3.57 -1.90 0.87 116.94 124.95 1wgx h PHE 33 Ca 0.27 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1wgx h PHE 33 Cb 1.37 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1wgx h PHE 33 CO 1.79 0.23 -0.03 -1.49 -2.23 0.00 0.00 178.31 176.58 1wgx h TRP 34 N 0.58 0.19 -0.78 0.41 -0.00 -1.88 -0.36 115.95 114.12 1wgx h TRP 34 Ca 0.47 -0.04 0.14 0.00 -0.00 0.00 0.00 58.89 59.46 1wgx h TRP 34 Cb 0.91 -0.05 -0.05 0.00 -0.00 0.00 0.00 29.16 29.97 1wgx h TRP 34 CO -0.00 0.52 0.51 0.66 -0.00 0.00 0.00 178.44 180.13 1wgx h SER 35 N -0.19 0.46 0.26 -3.49 4.64 -1.26 0.67 113.55 114.65 1wgx h SER 35 Ca 0.02 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1wgx h SER 35 Cb 0.46 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1wgx h SER 35 CO 0.01 0.24 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.76 1wgx h GLU 36 N 0.49 -0.34 -0.26 4.77 5.08 -0.62 -2.59 114.58 121.11 1wgx h GLU 36 Ca 0.38 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.84 1wgx h GLU 36 Cb 0.78 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1wgx h GLU 36 CO -0.14 -0.23 0.38 -0.39 -1.00 0.00 0.00 179.01 177.64 1wgx h VAL 37 N -0.68 0.27 0.00 3.13 -1.51 -0.76 1.63 116.25 118.32 1wgx h VAL 37 Ca -0.04 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.38 1wgx h VAL 37 Cb 0.27 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 1wgx h VAL 37 CO 0.06 0.00 -0.23 0.00 -1.23 0.00 0.00 177.57 176.16 1wgx h ALA 38 N 1.48 0.94 0.58 5.19 0.00 0.40 -0.50 119.26 127.33 1wgx h ALA 38 Ca 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1wgx h ALA 38 Cb 0.89 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1wgx h ALA 38 CO -0.00 0.29 -0.28 0.00 0.00 0.00 0.00 179.25 179.27 1wgx h ALA 39 N 1.77 -0.77 0.00 0.00 0.00 0.28 1.98 119.26 122.52 1wgx h ALA 39 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1wgx h ALA 39 Cb 0.91 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1wgx h ALA 39 CO 0.03 -0.89 -0.29 0.00 0.00 0.00 0.00 179.25 178.10 1wgx h ALA 40 N -0.47 0.90 -0.49 0.00 0.00 -1.56 -2.48 119.26 115.16 1wgx h ALA 40 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1wgx h ALA 40 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wgx h ALA 40 CO 0.13 0.36 0.00 0.28 0.00 0.00 0.00 179.25 180.02 1wgx n VAL 41 N -3.30 0.66 -0.04 0.00 0.31 -0.20 -4.59 118.33 111.16 1wgx n VAL 41 Ca 0.01 -0.70 0.03 0.00 -0.01 0.00 0.00 64.34 63.67 1wgx n VAL 41 Cb 0.54 0.44 0.06 0.00 -0.91 0.00 0.00 33.84 33.98 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 1.37 -0.12 0.63 2.92 0.00 0.67 0.30 105.19 110.97 1wgx n GLY 42 Ca 0.18 0.11 0.43 0.00 0.00 0.00 0.00 46.02 46.74 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 -3.47 0.00 -2.92 1.61 2.88 -1.26 -4.43 113.62 106.03 1wgx n SER 43 Ca 0.04 0.89 -0.16 0.00 -1.33 0.00 0.00 58.87 58.31 1wgx n SER 43 Cb 0.14 -0.40 -0.05 0.00 -0.75 0.00 0.00 64.21 63.15 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 0.61 -3.32 -1.46 5.12 0.89 -5.16 116.66 109.72 1wgx n ARG 44 Ca 0.36 -2.25 -0.22 0.00 -1.93 0.00 0.00 57.85 53.80 1wgx n ARG 44 Cb 1.81 1.36 -0.00 0.00 -1.16 0.00 0.00 32.46 34.46 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 -2.62 6.09 0.25 0.55 0.01 -1.26 -4.90 113.70 111.81 1wgx s SER 45 Ca 0.16 0.26 0.11 0.00 1.31 0.00 0.00 55.95 57.79 1wgx s SER 45 Cb 0.01 -1.72 0.24 0.00 0.21 0.00 0.00 66.02 64.76 1wgx s SER 45 CO 0.12 -0.43 1.53 1.55 0.41 0.00 0.00 173.24 176.41 1wgx h PRO 46 N 0.69 0.00 0.00 12.44 0.13 -1.90 -2.39 132.00 140.97 1wgx h PRO 46 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1wgx h PRO 46 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wgx h PRO 46 CO 0.59 0.67 -0.16 0.93 -0.23 0.00 0.00 178.00 179.80 1wgx h GLU 47 N 0.00 0.00 0.09 0.86 5.08 -1.95 -2.97 114.58 115.69 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 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1wgx h GLU 47 CO 0.09 0.16 -1.64 0.93 -1.00 0.00 0.00 179.01 177.54 1wgx h GLU 48 N 0.00 0.19 -0.45 2.33 4.39 -1.92 -3.23 114.58 115.88 1wgx h GLU 48 Ca -0.00 -0.32 0.13 0.00 0.34 0.00 0.00 59.36 59.51 1wgx h GLU 48 Cb 0.71 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1wgx h GLU 48 CO 0.02 0.99 0.41 0.00 -1.16 0.00 0.00 179.01 179.27 1wgx h GLN 50 N 0.00 -0.05 -0.94 0.00 4.15 -1.62 -2.27 115.11 114.38 1wgx h GLN 50 Ca 0.21 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.73 1wgx h GLN 50 Cb 1.03 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.66 1wgx h GLN 50 CO -0.00 0.47 0.58 0.00 -1.93 0.00 0.00 178.83 177.95 1wgx h ARG 51 N -0.97 0.96 0.76 1.69 3.08 -1.22 0.17 114.38 118.85 1wgx h ARG 51 Ca -0.01 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1wgx h ARG 51 Cb 0.54 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.38 1wgx h ARG 51 CO 0.01 0.64 -0.36 -0.22 -1.07 0.00 0.00 179.97 178.96 1wgx h LYS 52 N 0.99 -0.98 -0.76 0.04 1.63 -0.15 -2.00 116.57 115.34 1wgx h LYS 52 Ca 0.44 0.07 0.18 0.00 -0.85 0.00 0.00 60.65 60.48 1wgx h LYS 52 Cb 0.32 0.22 -0.12 0.00 -0.60 0.00 0.00 32.23 32.05 1wgx h LYS 52 CO -0.22 -0.65 0.14 -0.92 -3.45 0.00 0.00 179.45 174.35 1wgx h TYR 53 N -1.15 0.20 -0.22 1.91 5.03 -1.06 0.16 116.97 121.84 1wgx h TYR 53 Ca -0.10 0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.31 1wgx h TYR 53 Cb 0.78 0.03 -0.06 0.00 1.55 0.00 0.00 36.73 39.03 1wgx h TYR 53 CO 0.02 -0.15 -0.16 0.52 -1.32 0.00 0.00 178.16 177.07 1wgx h MET 54 N 0.21 -0.16 -0.29 1.82 2.86 -0.59 0.39 114.93 119.18 1wgx h MET 54 Ca 0.44 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.12 1wgx h MET 54 Cb 0.78 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 1wgx h MET 54 CO -0.58 -0.10 0.11 0.93 1.06 0.00 0.00 176.91 178.33 1wgx h GLU 55 N -0.16 0.24 -2.91 1.72 5.08 -0.26 -3.28 114.58 115.01 1wgx h GLU 55 Ca 0.13 -0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.86 1wgx h GLU 55 Cb 0.35 -0.05 -0.42 0.00 0.50 0.00 0.00 28.75 29.13 1wgx h GLU 55 CO -0.32 0.16 -0.59 0.09 -1.00 0.00 0.00 179.01 177.35 1wgx n ASN 56 N -5.01 3.04 0.01 1.42 3.02 -0.24 -4.62 115.26 112.88 1wgx n ASN 56 Ca -0.01 -3.23 -0.11 0.00 -0.03 0.00 0.00 54.58 51.21 1wgx n ASN 56 Cb 0.09 -0.74 -0.08 0.00 -0.61 0.00 0.00 39.78 38.44 1wgx n ASN 56 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1wgx h PRO 57 N 5.17 -0.12 0.00 3.52 0.13 -0.32 -3.41 132.00 136.98 1wgx h PRO 57 Ca 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1wgx h PRO 57 Cb 0.74 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1wgx h PRO 57 CO 0.73 0.40 0.00 -2.13 -0.23 0.00 0.00 178.00 176.77 1wgx n ARG 58 N -4.83 0.00 0.00 0.86 0.00 -1.26 -5.04 116.66 106.39 1wgx n ARG 58 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1wgx n ARG 58 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.75 1wgx n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wgx n GLY 59 N -1.38 0.42 1.27 5.14 0.00 -1.26 -5.04 105.19 104.35 1wgx n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.05 1.61 0.00 -1.26 -5.06 118.16 113.40 1wgx n LYS 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1wgx n LYS 60 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 35.03 34.77 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 3.01 -3.34 2.87 3.14 0.00 -1.26 -4.69 105.19 104.92 1wgx n GLY 61 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.13 0.61 -0.30 1.61 0.15 -1.26 -5.04 113.70 108.35 1wgx s SER 62 Ca 0.00 -0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.56 1wgx s SER 62 Cb 0.00 0.93 0.18 0.00 -1.71 0.00 0.00 66.02 65.43 1wgx s SER 62 CO 0.00 -0.32 0.59 -1.58 1.20 0.00 0.00 173.24 173.12 1wgx s GLN 63 N 2.49 0.55 -0.30 5.44 0.74 -1.26 -5.11 119.66 122.21 1wgx s GLN 63 Ca 0.11 0.99 -0.09 0.00 0.05 0.00 0.00 55.36 56.43 1wgx s GLN 63 Cb -0.15 0.50 0.19 0.00 1.10 0.00 0.00 33.01 34.64 1wgx s GLN 63 CO -0.20 -0.60 0.96 0.15 -0.55 0.00 0.00 175.29 175.05 1wgx s LYS 64 N 2.84 0.24 -0.27 1.67 1.02 -1.26 -5.16 119.74 118.81 1wgx s LYS 64 Ca 0.19 0.29 -0.37 0.00 0.02 0.00 0.00 55.97 56.11 1wgx s LYS 64 Cb -0.15 0.15 0.16 0.00 -0.52 0.00 0.00 37.83 37.47 1wgx s LYS 64 CO -0.20 -0.38 1.35 -1.58 -0.92 0.00 0.00 175.35 173.62 1wgx s HIS 65 N 2.93 -0.03 -0.18 3.18 2.46 -1.26 -5.09 115.29 117.30 1wgx s HIS 65 Ca 0.17 0.03 -0.01 0.00 0.47 0.00 0.00 55.06 55.72 1wgx s HIS 65 Cb -0.06 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.90 1wgx s HIS 65 CO -0.20 -0.05 0.01 0.28 -2.47 0.00 0.00 174.74 172.31 1wgx n VAL 66 N 0.07 -8.05 -3.75 0.89 0.31 -1.26 -5.03 118.33 101.50 1wgx n VAL 66 Ca 0.04 1.34 -0.13 0.00 -0.01 0.00 0.00 64.34 65.59 1wgx n VAL 66 Cb 0.57 -5.33 -0.13 0.00 -0.91 0.00 0.00 33.84 28.04 1wgx n VAL 66 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1wgx s THR 67 N -1.31 -0.03 0.12 2.52 2.01 -1.26 -5.02 115.64 112.68 1wgx s THR 67 Ca -0.01 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1wgx s THR 67 Cb 0.00 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.17 1wgx s THR 67 CO 0.47 0.04 0.00 -0.24 -0.69 0.00 0.00 174.62 174.20 1wgx n SER 68 N 3.76 -0.83 -3.12 3.53 2.88 -1.26 -5.09 113.62 113.49 1wgx n SER 68 Ca -0.21 0.22 0.04 0.00 -1.33 0.00 0.00 58.87 57.59 1wgx n SER 68 Cb 0.55 1.04 -0.00 0.00 -0.75 0.00 0.00 64.21 65.05 1wgx n SER 68 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgx s GLY 69 N -2.95 -1.21 -1.23 0.46 0.00 -1.26 -5.07 107.32 96.05 1wgx s GLY 69 Ca 0.00 1.20 -0.20 0.00 0.00 0.00 0.00 44.72 45.72 1wgx s GLY 69 CO 0.00 3.86 1.86 -1.55 0.00 0.00 0.00 173.10 177.27 1wgx n PRO 70 N 4.97 2.40 0.03 2.90 -0.04 -1.26 -3.73 135.00 140.27 1wgx n PRO 70 Ca 0.07 -2.81 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 1wgx n PRO 70 Cb 0.56 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 1wgx n PRO 70 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wgx n SER 71 N 10.78 -0.47 -0.39 3.54 3.41 -1.26 -4.98 113.62 124.24 1wgx n SER 71 Ca 0.47 0.15 -0.03 0.00 -0.26 0.00 0.00 58.87 59.21 1wgx n SER 71 Cb 0.45 0.69 0.01 0.00 -0.26 0.00 0.00 64.21 65.10 1wgx n SER 71 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wgx n SER 72 N -2.26 -0.73 0.00 4.04 3.41 -1.24 -5.30 113.62 111.54 1wgx n SER 72 Ca 0.00 1.74 0.00 0.00 -0.26 0.00 0.00 58.87 60.35 1wgx n SER 72 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1wgx n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49