#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgx n SER 2 N 0.00 -7.33 -1.43 1.61 2.88 -1.26 -4.89 113.62 103.20 1wgx n SER 2 Ca 0.00 1.75 0.18 0.00 -1.33 0.00 0.00 58.87 59.47 1wgx n SER 2 Cb 0.00 -5.21 -0.08 0.00 -0.75 0.00 0.00 64.21 58.17 1wgx n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgx n SER 3 N 1.84 -8.37 0.00 -3.46 2.88 -1.26 -5.00 113.62 100.24 1wgx n SER 3 Ca -0.10 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1wgx n SER 3 Cb 0.16 -4.72 0.00 0.00 -0.75 0.00 0.00 64.21 58.90 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 -4.31 2.62 3.06 0.46 0.00 -1.26 -5.01 105.19 100.75 1wgx n GLY 4 Ca -0.05 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.56 5.02 -0.11 1.61 0.15 -1.26 -4.90 113.70 113.65 1wgx s SER 5 Ca 0.00 -2.92 -0.05 0.00 0.70 0.00 0.00 55.95 53.68 1wgx s SER 5 Cb 0.00 -1.80 0.02 0.00 -1.71 0.00 0.00 66.02 62.53 1wgx s SER 5 CO 0.00 -0.33 0.10 -0.24 1.20 0.00 0.00 173.24 173.97 1wgx n SER 6 N 3.36 -4.63 0.00 5.45 2.88 -1.26 -4.99 113.62 114.44 1wgx n SER 6 Ca 0.07 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1wgx n SER 6 Cb 0.36 -3.52 0.00 0.00 -0.75 0.00 0.00 64.21 60.31 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 1.85 -0.53 3.75 0.46 0.00 -1.26 -5.12 105.19 104.34 1wgx n GLY 7 Ca -0.17 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1wgx n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wgx s ASP 8 N -4.00 6.55 -0.19 1.61 1.47 -1.26 -4.96 116.67 115.89 1wgx s ASP 8 Ca 0.00 2.79 -0.17 0.00 1.18 0.00 0.00 52.55 56.35 1wgx s ASP 8 Cb 0.00 -2.63 -0.04 0.00 -0.34 0.00 0.00 42.92 39.91 1wgx s ASP 8 CO 0.00 -0.77 0.43 -1.59 0.68 0.00 0.00 175.17 173.92 1wgx s LYS 9 N -0.66 4.19 0.07 2.11 0.00 -1.26 -4.58 119.74 119.61 1wgx s LYS 9 Ca 0.59 0.27 0.00 0.00 0.00 0.00 0.00 55.97 56.83 1wgx s LYS 9 Cb -0.44 -3.53 -0.04 0.00 0.00 0.00 0.00 37.83 33.82 1wgx s LYS 9 CO 0.47 -0.04 -0.05 -1.21 0.00 0.00 0.00 175.35 174.52 1wgx s GLU 10 N 1.30 0.68 0.62 1.78 2.02 -1.26 -5.09 118.70 118.75 1wgx s GLU 10 Ca 0.21 -1.20 0.07 0.00 0.02 0.00 0.00 54.97 54.06 1wgx s GLU 10 Cb -0.15 -0.01 0.10 0.00 0.10 0.00 0.00 34.13 34.18 1wgx s GLU 10 CO 0.08 -0.06 0.86 -1.58 0.02 0.00 0.00 175.26 174.59 1wgx s TRP 11 N -3.49 1.36 0.21 1.61 0.52 -1.26 -4.17 118.94 113.72 1wgx s TRP 11 Ca 0.07 -0.63 0.10 0.00 0.02 0.00 0.00 56.10 55.65 1wgx s TRP 11 Cb 0.05 -2.41 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1wgx s TRP 11 CO -0.07 -1.35 -0.11 0.54 0.02 0.00 0.00 176.95 175.98 1wgx s ASN 12 N -4.71 4.12 0.20 2.95 4.22 -1.26 -4.93 114.94 115.53 1wgx s ASN 12 Ca 0.64 -0.68 -0.16 0.00 -2.14 0.00 0.00 52.86 50.51 1wgx s ASN 12 Cb -0.05 -0.63 0.19 0.00 1.28 0.00 0.00 41.25 42.04 1wgx s ASN 12 CO 0.41 0.08 1.37 -0.62 -2.04 0.00 0.00 177.10 176.30 1wgx n GLU 13 N -0.19 -0.22 -0.24 3.55 4.71 -1.26 0.17 120.64 127.16 1wgx n GLU 13 Ca -0.09 1.36 0.01 0.00 -0.01 0.00 0.00 57.16 58.42 1wgx n GLU 13 Cb 0.57 -2.02 0.08 0.00 -1.01 0.00 0.00 31.44 29.06 1wgx n GLU 13 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1wgx h LYS 14 N 0.00 0.00 -0.40 3.49 1.57 -1.95 1.47 116.57 120.75 1wgx h LYS 14 Ca 0.29 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1wgx h LYS 14 Cb 0.52 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1wgx h LYS 14 CO -0.87 0.00 0.01 0.93 -0.57 0.00 0.00 179.45 178.95 1wgx h GLU 15 N 0.00 0.71 0.22 3.15 5.08 0.13 -2.01 114.58 121.86 1wgx h GLU 15 Ca 0.34 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1wgx h GLU 15 Cb 0.51 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1wgx h GLU 15 CO -0.71 0.79 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.91 1wgx h LEU 16 N 0.54 -0.25 -1.18 1.33 -0.00 0.34 0.14 115.31 116.23 1wgx h LEU 16 Ca 0.12 0.01 0.43 0.00 -0.00 0.00 0.00 57.88 58.44 1wgx h LEU 16 Cb 0.47 0.07 -0.16 0.00 -0.00 0.00 0.00 40.66 41.03 1wgx h LEU 16 CO 0.02 -0.18 0.69 0.06 -0.00 0.00 0.00 178.44 179.04 1wgx h GLN 17 N -0.31 0.04 -0.11 1.13 3.07 0.18 1.59 115.11 120.70 1wgx h GLN 17 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.68 1wgx h GLN 17 Cb 0.23 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.78 1wgx h GLN 17 CO 0.05 0.03 -0.02 0.87 0.09 0.00 0.00 178.83 179.84 1wgx h LYS 18 N 0.04 0.22 0.49 0.06 1.57 -1.05 1.08 116.57 118.97 1wgx h LYS 18 Ca 0.85 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.52 1wgx h LYS 18 Cb 2.42 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.72 1wgx h LYS 18 CO -0.61 0.52 -0.24 1.25 -0.57 0.00 0.00 179.45 179.80 1wgx h LEU 19 N -0.10 -0.56 0.50 2.94 5.85 0.49 0.23 115.31 124.65 1wgx h LEU 19 Ca 0.03 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1wgx h LEU 19 Cb 0.43 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1wgx h LEU 19 CO 0.01 -0.40 -0.24 0.45 -0.34 0.00 0.00 178.44 177.92 1wgx h HIS 20 N -0.66 -0.62 0.00 1.25 3.86 -0.12 0.55 115.15 119.40 1wgx h HIS 20 Ca -0.07 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1wgx h HIS 20 Cb 0.50 0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1wgx h HIS 20 CO -0.04 -0.37 0.00 0.00 0.86 0.00 0.00 177.93 178.38 1wgx h ALA 22 N -1.38 0.08 -0.88 0.00 0.00 -0.56 1.80 119.26 118.33 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 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1wgx h ALA 22 CO 0.00 -0.61 0.62 0.35 0.00 0.00 0.00 179.25 179.61 1wgx h PHE 23 N -0.13 0.11 0.00 0.00 3.04 0.12 1.46 116.94 121.54 1wgx h PHE 23 Ca 0.25 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.13 1wgx h PHE 23 Cb 0.53 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 1wgx h PHE 23 CO -0.60 0.02 -0.58 0.00 -2.02 0.00 0.00 178.31 175.13 1wgx h ALA 24 N 1.57 0.08 -0.20 2.41 0.00 0.94 -3.39 119.26 120.68 1wgx h ALA 24 Ca 0.43 -0.64 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1wgx h ALA 24 Cb 1.58 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 1wgx h ALA 24 CO -0.04 0.41 -0.17 1.03 0.00 0.00 0.00 179.25 180.47 1wgx h SER 25 N -1.00 -0.56 -3.90 0.00 0.87 0.29 -3.41 113.55 105.84 1wgx h SER 25 Ca -0.11 0.11 -0.47 0.00 -1.23 0.00 0.00 61.79 60.09 1wgx h SER 25 Cb 0.73 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1wgx h SER 25 CO -0.07 -0.22 0.29 -0.76 -0.53 0.00 0.00 176.83 175.55 1wgx s LEU 26 N -10.47 4.17 0.53 2.23 1.43 0.49 -5.04 118.68 112.02 1wgx s LEU 26 Ca -0.14 1.68 -0.18 0.00 -1.03 0.00 0.00 54.13 54.46 1wgx s LEU 26 Cb 0.11 -4.17 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 1wgx s LEU 26 CO 0.68 -0.18 1.04 -2.16 0.23 0.00 0.00 176.35 175.97 1wgx s PRO 27 N -2.55 3.60 0.00 1.29 0.04 -1.26 -4.63 135.00 131.49 1wgx s PRO 27 Ca 0.54 1.27 0.27 0.00 0.04 0.00 0.00 61.00 63.12 1wgx s PRO 27 Cb -0.14 -2.07 0.77 0.00 0.04 0.00 0.00 34.50 33.10 1wgx s PRO 27 CO 0.19 -0.58 1.59 1.63 0.04 0.00 0.00 177.00 179.86 1wgx n LYS 28 N -1.46 1.73 0.03 4.56 4.01 -1.26 -3.59 118.16 122.18 1wgx n LYS 28 Ca 0.09 -1.16 0.12 0.00 -0.51 0.00 0.00 58.31 56.85 1wgx n LYS 28 Cb 0.53 -1.48 0.17 0.00 -0.51 0.00 0.00 35.03 33.74 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 0.38 0.24 -0.99 2.13 1.44 -1.26 -4.92 115.22 112.23 1wgx n HIS 29 Ca 0.17 0.07 -0.30 0.00 -2.01 0.00 0.00 57.72 55.64 1wgx n HIS 29 Cb 0.42 -0.42 0.14 0.00 0.12 0.00 0.00 29.99 30.25 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 -3.10 1.26 0.00 -1.40 1.02 -1.24 -5.01 119.74 111.27 1wgx s LYS 30 Ca 0.08 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.22 1wgx s LYS 30 Cb 0.15 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.68 1wgx s LYS 30 CO 0.73 -2.34 0.19 -0.35 -0.92 0.00 0.00 175.35 172.66 1wgx n PRO 31 N -3.99 0.00 -1.04 -1.68 -0.04 -1.26 -4.09 135.00 122.89 1wgx n PRO 31 Ca 0.09 0.24 -0.16 0.00 -0.04 0.00 0.00 63.50 63.63 1wgx n PRO 31 Cb 0.53 -0.87 -0.15 0.00 -0.04 0.00 0.00 33.50 32.98 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 1.51 3.16 0.35 0.55 0.00 -1.26 -4.56 105.19 104.94 1wgx n GLY 32 Ca 0.00 -1.25 0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 3.27 1.08 -0.10 1.61 3.57 -1.89 0.92 116.94 125.41 1wgx h PHE 33 Ca 0.28 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1wgx h PHE 33 Cb 1.35 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1wgx h PHE 33 CO 1.80 0.36 0.02 -1.49 -2.23 0.00 0.00 178.31 176.77 1wgx h TRP 34 N 0.88 0.17 -0.78 0.41 -0.00 -1.87 0.70 115.95 115.46 1wgx h TRP 34 Ca 0.52 -0.02 0.15 0.00 -0.00 0.00 0.00 58.89 59.53 1wgx h TRP 34 Cb 0.63 -0.05 -0.05 0.00 -0.00 0.00 0.00 29.16 29.69 1wgx h TRP 34 CO -0.01 0.33 0.52 0.66 -0.00 0.00 0.00 178.44 179.94 1wgx h SER 35 N -0.05 0.45 0.25 -3.49 4.64 -1.38 0.66 113.55 114.63 1wgx h SER 35 Ca 0.03 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1wgx h SER 35 Cb 0.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1wgx h SER 35 CO 0.00 0.23 -0.12 -0.33 -0.87 0.00 0.00 176.83 175.74 1wgx h GLU 36 N 0.48 -0.32 -0.31 4.77 5.08 -0.32 -2.62 114.58 121.33 1wgx h GLU 36 Ca 0.38 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.86 1wgx h GLU 36 Cb 0.81 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1wgx h GLU 36 CO -0.14 -0.22 0.42 -0.39 -1.00 0.00 0.00 179.01 177.69 1wgx h VAL 37 N -0.70 0.29 0.00 3.13 -1.51 -0.57 1.61 116.25 118.50 1wgx h VAL 37 Ca -0.03 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.36 1wgx h VAL 37 Cb 0.26 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1wgx h VAL 37 CO 0.06 0.00 -0.34 0.00 -1.23 0.00 0.00 177.57 176.05 1wgx h ALA 38 N 1.46 0.92 0.61 5.19 0.00 0.37 0.22 119.26 128.03 1wgx h ALA 38 Ca 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1wgx h ALA 38 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wgx h ALA 38 CO -0.00 0.43 -0.31 0.00 0.00 0.00 0.00 179.25 179.37 1wgx h ALA 39 N 1.66 -0.85 0.00 0.00 0.00 0.28 1.89 119.26 122.23 1wgx h ALA 39 Ca -0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1wgx h ALA 39 Cb 0.96 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1wgx h ALA 39 CO 0.04 -0.98 -0.74 0.00 0.00 0.00 0.00 179.25 177.57 1wgx h ALA 40 N -0.46 0.77 -0.28 0.00 0.00 -1.55 -2.59 119.26 115.15 1wgx h ALA 40 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1wgx h ALA 40 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wgx h ALA 40 CO 0.12 0.93 0.00 0.28 0.00 0.00 0.00 179.25 180.58 1wgx n VAL 41 N -3.64 0.37 -0.03 0.00 0.31 0.06 -4.52 118.33 110.88 1wgx n VAL 41 Ca -0.01 -0.39 0.03 0.00 -0.01 0.00 0.00 64.34 63.96 1wgx n VAL 41 Cb 0.72 0.21 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 1.00 -0.10 0.64 2.92 0.00 0.64 0.29 105.19 110.57 1wgx n GLY 42 Ca 0.11 0.09 0.46 0.00 0.00 0.00 0.00 46.02 46.68 1wgx n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgx n SER 43 N -3.47 0.00 -2.99 1.61 7.64 -1.26 -4.42 113.62 110.73 1wgx n SER 43 Ca 0.03 0.89 -0.16 0.00 1.01 0.00 0.00 58.87 60.64 1wgx n SER 43 Cb 0.12 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 62.84 1wgx n SER 43 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wgx n ARG 44 N -3.67 0.60 -3.13 1.43 5.12 0.85 -5.14 116.66 112.72 1wgx n ARG 44 Ca 0.38 -2.34 -0.22 0.00 -1.93 0.00 0.00 57.85 53.73 1wgx n ARG 44 Cb 1.82 1.41 0.00 0.00 -1.16 0.00 0.00 32.46 34.53 1wgx n ARG 44 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1wgx s SER 45 N -2.69 5.93 0.27 0.55 1.04 -1.26 -4.89 113.70 112.65 1wgx s SER 45 Ca 0.17 0.24 0.13 0.00 0.48 0.00 0.00 55.95 56.96 1wgx s SER 45 Cb 0.01 -1.57 0.30 0.00 0.10 0.00 0.00 66.02 64.86 1wgx s SER 45 CO 0.12 -0.59 1.56 1.55 0.98 0.00 0.00 173.24 176.86 1wgx h PRO 46 N 0.54 0.00 0.00 4.02 0.13 -1.90 -2.33 132.00 132.46 1wgx h PRO 46 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.60 -0.27 0.93 -0.23 0.00 0.00 178.00 179.60 1wgx h GLU 47 N 0.00 0.00 0.06 0.86 5.08 -1.95 -3.06 114.58 115.58 1wgx h GLU 47 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1wgx h GLU 47 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1wgx h GLU 47 CO 0.08 0.27 -1.48 0.93 -1.00 0.00 0.00 179.01 177.81 1wgx h GLU 48 N 0.00 0.13 -0.41 2.33 4.39 -1.92 -3.23 114.58 115.86 1wgx h GLU 48 Ca -0.00 -0.23 0.12 0.00 0.34 0.00 0.00 59.36 59.59 1wgx h GLU 48 Cb 0.91 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1wgx h GLU 48 CO 0.04 0.94 0.31 0.00 -1.16 0.00 0.00 179.01 179.14 1wgx h GLN 50 N 0.00 0.02 -0.48 0.00 4.15 -1.60 -1.93 115.11 115.26 1wgx h GLN 50 Ca 0.20 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1wgx h GLN 50 Cb 0.82 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.49 1wgx h GLN 50 CO -0.00 0.79 0.30 0.00 -1.93 0.00 0.00 178.83 177.99 1wgx h ARG 51 N -0.75 0.60 0.84 1.69 3.08 -1.18 0.37 114.38 119.03 1wgx h ARG 51 Ca -0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1wgx h ARG 51 Cb 0.80 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.72 1wgx h ARG 51 CO 0.01 0.39 -0.43 -0.22 -1.07 0.00 0.00 179.97 178.65 1wgx h LYS 52 N 0.61 -1.12 -0.51 0.04 1.63 -0.30 -2.34 116.57 114.59 1wgx h LYS 52 Ca 0.18 0.08 0.09 0.00 -0.85 0.00 0.00 60.65 60.15 1wgx h LYS 52 Cb -0.03 0.26 -0.08 0.00 -0.60 0.00 0.00 32.23 31.78 1wgx h LYS 52 CO -0.06 -0.75 0.06 -0.92 -3.45 0.00 0.00 179.45 174.33 1wgx h TYR 53 N -1.17 0.08 -0.84 1.91 5.03 -1.18 -0.68 116.97 120.12 1wgx h TYR 53 Ca -0.11 0.03 0.21 0.00 2.58 0.00 0.00 58.73 61.44 1wgx h TYR 53 Cb 0.91 0.04 -0.13 0.00 1.55 0.00 0.00 36.73 39.10 1wgx h TYR 53 CO -0.04 -0.06 0.25 0.52 -1.32 0.00 0.00 178.16 177.51 1wgx h MET 54 N 0.18 0.26 -0.17 1.82 2.86 -0.08 0.86 114.93 120.66 1wgx h MET 54 Ca 0.26 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1wgx h MET 54 Cb 0.37 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1wgx h MET 54 CO -0.37 0.17 -0.08 0.93 1.06 0.00 0.00 176.91 178.62 1wgx h GLU 55 N 0.26 0.35 -2.70 1.72 5.08 -0.62 -3.36 114.58 115.32 1wgx h GLU 55 Ca 0.51 -0.15 -0.61 0.00 -1.00 0.00 0.00 59.36 58.11 1wgx h GLU 55 Cb 0.98 -0.01 -0.41 0.00 0.50 0.00 0.00 28.75 29.81 1wgx h GLU 55 CO -0.59 0.66 -0.67 0.09 -1.00 0.00 0.00 179.01 177.50 1wgx n ASN 56 N -4.62 2.54 -0.02 1.42 3.02 0.23 -4.92 115.26 112.92 1wgx n ASN 56 Ca -0.05 -3.12 -0.12 0.00 -0.03 0.00 0.00 54.58 51.26 1wgx n ASN 56 Cb 0.30 -0.70 -0.10 0.00 -0.61 0.00 0.00 39.78 38.67 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 5.04 -0.06 0.00 3.52 0.13 0.47 -3.41 132.00 137.68 1wgx h PRO 57 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1wgx h PRO 57 Cb 0.76 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1wgx h PRO 57 CO 0.68 0.57 0.00 2.89 -0.23 0.00 0.00 178.00 181.91 1wgx n ARG 58 N -4.78 0.00 0.00 0.86 1.85 -1.26 -5.04 116.66 108.28 1wgx n ARG 58 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1wgx n ARG 58 Cb 0.32 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.73 1wgx n ARG 58 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wgx n GLY 59 N 1.16 -1.97 3.60 2.89 0.00 -1.26 -5.10 105.19 104.50 1wgx n GLY 59 Ca 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.63 1wgx n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wgx s LYS 60 N 0.00 0.17 0.00 1.61 2.36 -1.26 -4.87 119.74 117.75 1wgx s LYS 60 Ca 0.00 0.31 0.00 0.00 -2.55 0.00 0.00 55.97 53.73 1wgx s LYS 60 Cb 0.00 0.06 0.00 0.00 -1.05 0.00 0.00 37.83 36.84 1wgx s LYS 60 CO 0.00 -0.04 0.00 0.41 1.55 0.00 0.00 175.35 177.27 1wgx n GLY 61 N 3.50 -0.37 3.81 5.54 0.00 -1.26 -5.19 105.19 111.22 1wgx n GLY 61 Ca -0.16 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1wgx n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgx s SER 62 N 0.00 -0.25 0.36 1.61 0.01 -1.26 -5.15 113.70 109.01 1wgx s SER 62 Ca 0.00 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1wgx s SER 62 Cb 0.00 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1wgx s SER 62 CO 0.00 -1.31 0.00 1.67 0.41 0.00 0.00 173.24 174.01 1wgx n GLN 63 N -0.45 -2.26 -3.79 12.44 7.27 -1.26 -5.08 117.38 124.25 1wgx n GLN 63 Ca -0.04 1.78 -0.07 0.00 0.07 0.00 0.00 57.00 58.74 1wgx n GLN 63 Cb 0.60 -2.33 -0.02 0.00 2.41 0.00 0.00 30.24 30.89 1wgx n GLN 63 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1wgx s LYS 64 N -4.46 1.66 -0.23 3.69 -2.85 -1.26 -5.18 119.74 111.11 1wgx s LYS 64 Ca 0.00 -0.89 -0.27 0.00 -1.00 0.00 0.00 55.97 53.81 1wgx s LYS 64 Cb 0.00 0.59 0.13 0.00 -2.06 0.00 0.00 37.83 36.49 1wgx s LYS 64 CO 0.00 -0.76 1.06 -1.58 0.10 0.00 0.00 175.35 174.17 1wgx s HIS 65 N -3.84 -0.38 0.52 1.78 2.46 -1.26 -4.93 115.29 109.63 1wgx s HIS 65 Ca 0.10 0.81 -0.18 0.00 0.47 0.00 0.00 55.06 56.25 1wgx s HIS 65 Cb -0.05 0.41 -0.13 0.00 -0.13 0.00 0.00 32.58 32.69 1wgx s HIS 65 CO 0.04 -0.25 0.16 1.55 -2.47 0.00 0.00 174.74 173.77 1wgx n VAL 66 N 1.47 0.96 -1.06 0.89 3.14 -1.26 -4.68 118.33 117.78 1wgx n VAL 66 Ca -0.11 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.45 1wgx n VAL 66 Cb 0.57 -0.28 -0.02 0.00 -1.06 0.00 0.00 33.84 33.05 1wgx n VAL 66 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1wgx n THR 67 N -1.51 2.99 -4.03 1.55 5.66 -1.26 -4.79 114.28 112.88 1wgx n THR 67 Ca 0.10 -1.95 -0.33 0.00 -3.05 0.00 0.00 64.05 58.82 1wgx n THR 67 Cb 0.46 -2.34 -0.15 0.00 -1.55 0.00 0.00 70.33 66.75 1wgx n THR 67 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1wgx s SER 68 N 3.25 4.55 0.40 1.09 0.15 -1.26 -5.03 113.70 116.85 1wgx s SER 68 Ca 0.51 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1wgx s SER 68 Cb 0.13 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 1wgx s SER 68 CO -0.03 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1wgx n GLY 69 N 4.48 -3.22 0.08 9.45 0.00 -1.26 -4.85 105.19 109.87 1wgx n GLY 69 Ca -0.14 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 1wgx n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgx h PRO 70 N -0.75 -0.15 -3.67 1.61 0.13 -1.98 -3.50 132.00 123.70 1wgx h PRO 70 Ca -0.11 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1wgx h PRO 70 Cb 0.85 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1wgx h PRO 70 CO 0.04 -0.10 -0.08 0.45 -0.23 0.00 0.00 178.00 178.08 1wgx n SER 71 N -3.34 -3.70 -3.99 1.44 2.88 -1.26 -5.10 113.62 100.54 1wgx n SER 71 Ca -0.02 0.08 -0.10 0.00 -1.33 0.00 0.00 58.87 57.50 1wgx n SER 71 Cb 0.06 -2.26 -0.07 0.00 -0.75 0.00 0.00 64.21 61.19 1wgx n SER 71 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wgx s SER 72 N -1.83 0.06 0.00 -3.46 1.04 -1.26 -5.02 113.70 103.24 1wgx s SER 72 Ca 0.04 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1wgx s SER 72 Cb -0.01 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1wgx s SER 72 CO 0.22 -0.89 0.16 0.61 0.98 0.00 0.00 173.24 174.32