#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 5.09 -0.47 1.61 0.01 -1.26 -4.91 113.70 113.78 1wgx s SER 2 Ca 0.00 1.38 -0.24 0.00 1.31 0.00 0.00 55.95 58.40 1wgx s SER 2 Cb 0.00 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.75 1wgx s SER 2 CO 0.00 -2.32 0.84 -0.55 0.41 0.00 0.00 173.24 171.61 1wgx s SER 3 N 9.53 6.42 0.11 2.44 0.15 -1.26 -4.70 113.70 126.38 1wgx s SER 3 Ca 0.94 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1wgx s SER 3 Cb -0.24 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1wgx s SER 3 CO 0.30 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1wgx n GLY 4 N 5.00 -5.15 3.71 9.45 0.00 -1.26 -4.95 105.19 111.98 1wgx n GLY 4 Ca 0.03 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.45 3.46 -0.39 1.61 0.15 -1.26 -4.99 113.70 111.83 1wgx s SER 5 Ca 0.00 2.02 -0.08 0.00 0.70 0.00 0.00 55.95 58.59 1wgx s SER 5 Cb 0.00 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.84 1wgx s SER 5 CO 0.00 -2.73 0.21 -0.44 1.20 0.00 0.00 173.24 171.47 1wgx s SER 6 N -2.95 5.54 0.00 5.45 0.01 -1.26 -4.89 113.70 115.61 1wgx s SER 6 Ca 0.65 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1wgx s SER 6 Cb -0.21 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1wgx s SER 6 CO 0.57 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1wgx n GLY 7 N 4.88 1.19 3.38 3.44 0.00 -1.26 -4.62 105.19 112.20 1wgx n GLY 7 Ca -0.11 0.43 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 1wgx n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wgx s ASP 8 N -4.00 3.37 0.12 1.61 1.11 -1.26 -5.10 116.67 112.52 1wgx s ASP 8 Ca 0.00 -0.52 -0.31 0.00 0.18 0.00 0.00 52.55 51.90 1wgx s ASP 8 Cb 0.00 -0.40 -0.08 0.00 1.07 0.00 0.00 42.92 43.51 1wgx s ASP 8 CO 0.00 0.27 1.37 -0.75 1.18 0.00 0.00 175.17 177.24 1wgx s LYS 9 N -1.23 4.33 0.38 8.23 2.36 -1.26 -5.02 119.74 127.53 1wgx s LYS 9 Ca 0.12 2.06 0.07 0.00 -2.55 0.00 0.00 55.97 55.68 1wgx s LYS 9 Cb -0.10 -3.25 -0.01 0.00 -1.05 0.00 0.00 37.83 33.43 1wgx s LYS 9 CO 0.03 -0.41 0.47 -1.21 1.55 0.00 0.00 175.35 175.77 1wgx s GLU 10 N 1.00 2.85 0.60 4.03 2.02 -1.26 -5.11 118.70 122.82 1wgx s GLU 10 Ca 0.64 -1.23 -0.03 0.00 0.02 0.00 0.00 54.97 54.37 1wgx s GLU 10 Cb -0.36 -2.67 0.04 0.00 0.10 0.00 0.00 34.13 31.23 1wgx s GLU 10 CO 0.31 -0.10 0.87 -1.58 0.02 0.00 0.00 175.26 174.77 1wgx s TRP 11 N -2.31 2.97 0.39 1.61 0.52 -1.26 -5.11 118.94 115.74 1wgx s TRP 11 Ca 0.49 0.27 0.08 0.00 0.02 0.00 0.00 56.10 56.95 1wgx s TRP 11 Cb -0.08 -2.87 -0.05 0.00 -1.15 0.00 0.00 33.47 29.32 1wgx s TRP 11 CO 0.31 -1.01 0.12 0.54 0.02 0.00 0.00 176.95 176.92 1wgx s ASN 12 N -4.42 4.34 0.17 2.95 2.20 -1.26 -4.89 114.94 114.02 1wgx s ASN 12 Ca 0.57 -1.05 -0.29 0.00 -0.94 0.00 0.00 52.86 51.15 1wgx s ASN 12 Cb -0.10 -0.51 -0.02 0.00 -2.00 0.00 0.00 41.25 38.62 1wgx s ASN 12 CO 0.42 -0.43 1.55 -0.08 -2.94 0.00 0.00 177.10 175.62 1wgx h GLU 13 N 1.57 -0.10 -0.84 3.55 4.81 -1.99 1.08 114.58 122.66 1wgx h GLU 13 Ca -0.43 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 58.97 1wgx h GLU 13 Cb 1.25 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.49 1wgx h GLU 13 CO 0.69 -0.06 -0.24 0.87 -0.73 0.00 0.00 179.01 179.54 1wgx h LYS 14 N -0.10 -0.01 0.21 1.92 1.57 -1.97 1.50 116.57 119.68 1wgx h LYS 14 Ca 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1wgx h LYS 14 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1wgx h LYS 14 CO -0.85 -0.01 -0.10 0.93 -0.57 0.00 0.00 179.45 178.85 1wgx h GLU 15 N -0.01 -0.27 0.10 3.15 5.08 -0.48 -1.44 114.58 120.71 1wgx h GLU 15 Ca 0.39 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1wgx h GLU 15 Cb 0.62 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1wgx h GLU 15 CO -0.87 0.02 -0.16 -0.07 -1.00 0.00 0.00 179.01 176.93 1wgx h LEU 16 N -0.56 -0.46 -1.26 1.33 -0.00 0.34 0.70 115.31 115.40 1wgx h LEU 16 Ca -0.03 0.04 0.39 0.00 -0.00 0.00 0.00 57.88 58.28 1wgx h LEU 16 Cb 0.41 0.16 -0.14 0.00 -0.00 0.00 0.00 40.66 41.10 1wgx h LEU 16 CO 0.05 -0.19 0.73 0.06 -0.00 0.00 0.00 178.44 179.09 1wgx h GLN 17 N -0.27 0.16 -0.28 1.13 3.07 0.19 1.64 115.11 120.75 1wgx h GLN 17 Ca -0.01 -0.01 -0.11 0.00 0.09 0.00 0.00 58.65 58.61 1wgx h GLN 17 Cb 0.25 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 1wgx h GLN 17 CO -0.05 0.10 -0.26 0.87 0.09 0.00 0.00 178.83 179.58 1wgx h LYS 18 N 0.16 0.67 0.00 0.06 1.57 -0.08 1.15 116.57 120.11 1wgx h LYS 18 Ca 0.78 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1wgx h LYS 18 Cb 2.21 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.53 1wgx h LYS 18 CO -0.49 0.96 -0.00 1.25 -0.57 0.00 0.00 179.45 180.60 1wgx h LEU 19 N 0.41 -0.01 0.44 2.94 5.85 0.83 -0.21 115.31 125.56 1wgx h LEU 19 Ca 0.05 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1wgx h LEU 19 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1wgx h LEU 19 CO 0.07 0.21 -0.21 0.45 -0.34 0.00 0.00 178.44 178.62 1wgx h HIS 20 N -0.22 -0.54 0.00 1.25 3.86 0.29 0.56 115.15 120.35 1wgx h HIS 20 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1wgx h HIS 20 Cb 0.22 0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1wgx h HIS 20 CO -0.00 -0.22 0.00 0.00 0.86 0.00 0.00 177.93 178.57 1wgx h ALA 22 N -1.28 -0.06 -0.83 0.00 0.00 -1.12 1.91 119.26 117.89 1wgx h ALA 22 Ca 0.00 0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.32 1wgx h ALA 22 Cb 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1wgx h ALA 22 CO 0.00 -0.69 0.59 0.35 0.00 0.00 0.00 179.25 179.50 1wgx h PHE 23 N -0.15 0.06 0.00 0.00 3.04 0.60 1.52 116.94 122.01 1wgx h PHE 23 Ca 0.24 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.14 1wgx h PHE 23 Cb 0.56 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1wgx h PHE 23 CO -0.67 0.01 -0.45 0.00 -2.02 0.00 0.00 178.31 175.18 1wgx h ALA 24 N 1.59 0.06 -0.15 2.41 0.00 1.13 -3.38 119.26 120.92 1wgx h ALA 24 Ca 0.40 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1wgx h ALA 24 Cb 1.53 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 1wgx h ALA 24 CO -0.02 0.33 -0.16 1.03 0.00 0.00 0.00 179.25 180.42 1wgx h SER 25 N -1.00 -0.51 -4.10 0.00 0.87 0.30 -3.41 113.55 105.70 1wgx h SER 25 Ca -0.08 0.10 -0.46 0.00 -1.23 0.00 0.00 61.79 60.12 1wgx h SER 25 Cb 0.62 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1wgx h SER 25 CO -0.05 -0.21 0.36 -0.76 -0.53 0.00 0.00 176.83 175.65 1wgx s LEU 26 N -10.43 3.82 0.43 2.23 1.43 0.51 -5.03 118.68 111.65 1wgx s LEU 26 Ca -0.14 1.73 -0.23 0.00 -1.03 0.00 0.00 54.13 54.46 1wgx s LEU 26 Cb 0.11 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.70 1wgx s LEU 26 CO 0.68 -0.57 1.05 -2.16 0.23 0.00 0.00 176.35 175.58 1wgx s PRO 27 N -3.45 4.02 0.00 1.29 0.04 -1.26 -4.66 135.00 130.98 1wgx s PRO 27 Ca 0.63 1.46 0.27 0.00 0.04 0.00 0.00 61.00 63.39 1wgx s PRO 27 Cb -0.11 -2.37 0.77 0.00 0.04 0.00 0.00 34.50 32.83 1wgx s PRO 27 CO 0.20 -0.26 1.58 1.63 0.04 0.00 0.00 177.00 180.20 1wgx n LYS 28 N -0.42 1.68 -0.78 4.56 4.01 -1.26 -3.66 118.16 122.29 1wgx n LYS 28 Ca 0.07 -1.12 0.08 0.00 -0.51 0.00 0.00 58.31 56.83 1wgx n LYS 28 Cb 0.51 -1.48 0.39 0.00 -0.51 0.00 0.00 35.03 33.94 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 0.31 1.83 -3.12 2.13 1.44 -1.26 -4.95 115.22 111.61 1wgx n HIS 29 Ca 0.16 -0.67 -0.23 0.00 -2.01 0.00 0.00 57.72 54.97 1wgx n HIS 29 Cb 0.41 -0.39 0.00 0.00 0.12 0.00 0.00 29.99 30.13 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 -2.35 3.22 0.00 -1.40 1.02 -1.24 -5.06 119.74 113.93 1wgx s LYS 30 Ca 0.54 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1wgx s LYS 30 Cb 0.38 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 1wgx s LYS 30 CO 0.20 -0.12 0.25 -0.35 -0.92 0.00 0.00 175.35 174.41 1wgx n PRO 31 N -1.97 0.00 -1.02 -1.68 -0.04 -1.26 -4.01 135.00 125.01 1wgx n PRO 31 Ca -0.01 0.49 -0.15 0.00 -0.04 0.00 0.00 63.50 63.80 1wgx n PRO 31 Cb 0.57 -1.12 -0.07 0.00 -0.04 0.00 0.00 33.50 32.84 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 1.26 3.46 0.34 0.55 0.00 -1.26 -4.56 105.19 104.98 1wgx n GLY 32 Ca 0.00 -1.15 0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 2.38 0.99 -0.09 1.61 3.57 -1.89 0.75 116.94 124.25 1wgx h PHE 33 Ca 0.23 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1wgx h PHE 33 Cb 1.10 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1wgx h PHE 33 CO 1.25 0.25 0.03 -1.49 -2.23 0.00 0.00 178.31 176.12 1wgx h TRP 34 N 0.75 0.14 -0.69 0.41 -0.00 -1.88 0.66 115.95 115.35 1wgx h TRP 34 Ca 0.53 -0.01 0.16 0.00 -0.00 0.00 0.00 58.89 59.57 1wgx h TRP 34 Cb 0.76 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.16 29.84 1wgx h TRP 34 CO -0.03 0.26 0.47 0.66 -0.00 0.00 0.00 178.44 179.80 1wgx h SER 35 N -0.02 0.23 0.22 -3.49 4.64 -1.25 0.56 113.55 114.43 1wgx h SER 35 Ca 0.03 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1wgx h SER 35 Cb 0.18 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1wgx h SER 35 CO -0.00 0.12 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.64 1wgx h GLU 36 N 0.24 -0.29 -0.26 4.77 5.08 -0.18 -2.76 114.58 121.18 1wgx h GLU 36 Ca 0.34 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.79 1wgx h GLU 36 Cb 0.97 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1wgx h GLU 36 CO -0.07 -0.19 0.39 -0.39 -1.00 0.00 0.00 179.01 177.74 1wgx h VAL 37 N -0.76 0.26 0.00 3.13 -1.51 -0.51 1.61 116.25 118.47 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 0.23 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 1wgx h VAL 37 CO 0.05 0.00 -0.30 0.00 -1.23 0.00 0.00 177.57 176.09 1wgx h ALA 38 N 1.47 0.91 0.55 5.19 0.00 0.12 0.11 119.26 127.61 1wgx h ALA 38 Ca 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1wgx h ALA 38 Cb 0.90 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1wgx h ALA 38 CO -0.00 0.37 -0.26 0.00 0.00 0.00 0.00 179.25 179.36 1wgx h ALA 39 N 1.70 -0.74 -0.00 0.00 0.00 0.27 1.95 119.26 122.44 1wgx h ALA 39 Ca -0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1wgx h ALA 39 Cb 0.97 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1wgx h ALA 39 CO 0.04 -0.91 -0.84 0.00 0.00 0.00 0.00 179.25 177.54 1wgx h ALA 40 N -0.29 0.58 -0.24 0.00 0.00 -1.56 -2.72 119.26 115.04 1wgx h ALA 40 Ca -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1wgx h ALA 40 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wgx h ALA 40 CO 0.12 0.92 0.00 0.28 0.00 0.00 0.00 179.25 180.57 1wgx n VAL 41 N -3.66 0.31 -0.04 0.00 0.31 0.02 -4.50 118.33 110.78 1wgx n VAL 41 Ca -0.03 -0.33 0.03 0.00 -0.01 0.00 0.00 64.34 64.00 1wgx n VAL 41 Cb 0.78 0.17 0.05 0.00 -0.91 0.00 0.00 33.84 33.94 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 0.92 -0.10 0.63 2.92 0.00 0.66 0.29 105.19 110.51 1wgx n GLY 42 Ca 0.09 0.09 0.45 0.00 0.00 0.00 0.00 46.02 46.65 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 -3.46 0.00 -3.03 1.61 7.64 -1.26 -4.41 113.62 110.71 1wgx n SER 43 Ca 0.04 0.88 -0.17 0.00 1.01 0.00 0.00 58.87 60.63 1wgx n SER 43 Cb 0.12 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.86 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 -3.64 0.65 -3.18 1.43 5.12 0.83 -5.17 116.66 112.70 1wgx n ARG 44 Ca 0.37 -2.33 -0.22 0.00 -1.93 0.00 0.00 57.85 53.74 1wgx n ARG 44 Cb 1.79 1.34 0.00 0.00 -1.16 0.00 0.00 32.46 34.44 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 -2.68 5.96 0.21 0.55 1.04 -1.26 -4.90 113.70 112.61 1wgx s SER 45 Ca 0.15 0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.87 1wgx s SER 45 Cb 0.01 -1.57 0.13 0.00 0.10 0.00 0.00 66.02 64.69 1wgx s SER 45 CO 0.11 -0.56 1.48 1.55 0.98 0.00 0.00 173.24 176.80 1wgx h PRO 46 N 0.58 0.06 0.00 4.02 0.13 -1.90 -2.45 132.00 132.44 1wgx h PRO 46 Ca -0.47 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 1wgx h PRO 46 Cb 1.25 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wgx h PRO 46 CO 0.57 0.79 -0.16 0.93 -0.23 0.00 0.00 178.00 179.90 1wgx h GLU 47 N 0.04 0.00 0.08 0.86 5.08 -1.95 -2.84 114.58 115.85 1wgx h GLU 47 Ca -0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 1wgx h GLU 47 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1wgx h GLU 47 CO 0.10 0.16 -1.55 0.93 -1.00 0.00 0.00 179.01 177.65 1wgx h GLU 48 N 0.00 0.18 -0.57 2.33 4.39 -1.93 -3.23 114.58 115.75 1wgx h GLU 48 Ca -0.00 -0.30 0.17 0.00 0.34 0.00 0.00 59.36 59.56 1wgx h GLU 48 Cb 0.65 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1wgx h GLU 48 CO 0.02 0.99 0.42 0.00 -1.16 0.00 0.00 179.01 179.28 1wgx h GLN 50 N 0.00 -0.01 -0.10 0.00 4.15 -1.61 -2.29 115.11 115.25 1wgx h GLN 50 Ca 0.27 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 1wgx h GLN 50 Cb 1.12 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.80 1wgx h GLN 50 CO -0.00 0.76 0.05 0.00 -1.93 0.00 0.00 178.83 177.70 1wgx h ARG 51 N -0.81 0.14 0.30 1.69 3.08 -1.11 0.30 114.38 117.96 1wgx h ARG 51 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1wgx h ARG 51 Cb 0.77 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1wgx h ARG 51 CO 0.00 0.20 -0.44 -0.22 -1.07 0.00 0.00 179.97 178.44 1wgx h LYS 52 N 0.05 -0.77 -0.18 0.04 1.63 0.75 -1.68 116.57 116.41 1wgx h LYS 52 Ca 0.03 0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1wgx h LYS 52 Cb 0.10 0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.86 1wgx h LYS 52 CO -0.00 -0.51 -0.11 -0.92 -3.45 0.00 0.00 179.45 174.45 1wgx h TYR 53 N -0.79 -0.27 -0.90 1.91 5.03 -1.32 -1.71 116.97 118.91 1wgx h TYR 53 Ca -0.02 0.02 0.25 0.00 2.58 0.00 0.00 58.73 61.56 1wgx h TYR 53 Cb 0.75 0.15 -0.16 0.00 1.55 0.00 0.00 36.73 39.02 1wgx h TYR 53 CO -0.30 -0.17 0.14 0.52 -1.32 0.00 0.00 178.16 177.03 1wgx h MET 54 N -0.11 0.11 -0.18 1.82 2.86 -0.03 0.63 114.93 120.03 1wgx h MET 54 Ca 0.10 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1wgx h MET 54 Cb 0.26 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1wgx h MET 54 CO -0.24 0.07 0.02 0.93 1.06 0.00 0.00 176.91 178.74 1wgx h GLU 55 N 0.11 0.30 -2.76 1.72 5.08 -0.48 -3.34 114.58 115.22 1wgx h GLU 55 Ca 0.56 -0.09 -0.61 0.00 -1.00 0.00 0.00 59.36 58.22 1wgx h GLU 55 Cb 1.15 -0.03 -0.42 0.00 0.50 0.00 0.00 28.75 29.95 1wgx h GLU 55 CO -0.75 0.49 -0.63 -1.71 -1.00 0.00 0.00 179.01 175.41 1wgx n ASN 56 N -4.74 2.79 -0.00 1.42 5.15 0.12 -4.62 115.26 115.37 1wgx n ASN 56 Ca -0.05 -3.18 -0.11 0.00 -0.60 0.00 0.00 54.58 50.64 1wgx n ASN 56 Cb 0.20 -0.71 -0.09 0.00 -0.53 0.00 0.00 39.78 38.65 1wgx n ASN 56 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1wgx h PRO 57 N 5.06 -0.10 0.00 1.20 0.13 -0.11 -3.42 132.00 134.76 1wgx h PRO 57 Ca 0.17 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1wgx h PRO 57 Cb 0.75 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1wgx h PRO 57 CO 0.71 0.46 0.00 0.54 -0.23 0.00 0.00 178.00 179.48 1wgx n ARG 58 N -4.81 0.00 -2.72 0.86 5.12 -1.26 -5.04 116.66 108.80 1wgx n ARG 58 Ca -0.08 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.77 1wgx n ARG 58 Cb 0.30 -0.03 0.07 0.00 -1.16 0.00 0.00 32.46 31.63 1wgx n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wgx n GLY 59 N 1.63 -0.32 3.58 -0.13 0.00 -1.26 -5.15 105.19 103.54 1wgx n GLY 59 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 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 0.46 1.91 0.00 1.61 2.20 -1.26 -5.17 119.74 119.49 1wgx s LYS 60 Ca 0.28 -2.13 0.00 0.00 -0.36 0.00 0.00 55.97 53.76 1wgx s LYS 60 Cb 0.24 -1.17 0.00 0.00 -1.51 0.00 0.00 37.83 35.40 1wgx s LYS 60 CO -0.18 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1wgx n GLY 61 N -0.93 6.22 1.53 5.54 0.00 -1.26 -4.86 105.19 111.42 1wgx n GLY 61 Ca -0.07 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1wgx n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgx n SER 62 N 0.00 0.39 -1.38 1.61 7.64 -1.26 -5.04 113.62 115.57 1wgx n SER 62 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1wgx n SER 62 Cb 0.00 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1wgx n SER 62 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1wgx n GLN 63 N -3.39 -3.91 -1.01 1.43 0.00 -1.26 -5.01 117.38 104.23 1wgx n GLN 63 Ca 0.00 2.86 0.00 0.00 -0.00 0.00 0.00 57.00 59.86 1wgx n GLN 63 Cb 0.03 -3.18 0.00 0.00 0.00 0.00 0.00 30.24 27.09 1wgx n GLN 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1wgx n LYS 64 N -0.26 -2.75 -3.14 3.69 5.02 -1.26 -5.01 118.16 114.45 1wgx n LYS 64 Ca 0.00 2.10 -0.03 0.00 -2.02 0.00 0.00 58.31 58.36 1wgx n LYS 64 Cb 0.00 -2.52 -0.02 0.00 -0.02 0.00 0.00 35.03 32.47 1wgx n LYS 64 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1wgx s HIS 65 N -4.17 -1.44 0.02 2.13 -3.43 -1.26 -5.15 115.29 102.00 1wgx s HIS 65 Ca 0.00 -0.14 -0.02 0.00 -0.80 0.00 0.00 55.06 54.11 1wgx s HIS 65 Cb 0.00 0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 31.30 1wgx s HIS 65 CO 0.00 -1.16 0.19 0.54 -2.00 0.00 0.00 174.74 172.31 1wgx s VAL 66 N 1.54 5.38 0.11 -5.38 0.11 -1.26 -5.11 120.40 115.79 1wgx s VAL 66 Ca 0.20 -0.26 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 1wgx s VAL 66 Cb -0.05 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1wgx s VAL 66 CO -0.06 0.26 -0.13 0.28 -3.33 0.00 0.00 175.10 172.11 1wgx s THR 67 N -1.39 1.20 0.15 5.04 -1.32 -1.26 -5.06 115.64 113.01 1wgx s THR 67 Ca 0.30 -1.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 1wgx s THR 67 Cb -0.13 -1.44 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 1wgx s THR 67 CO 0.22 -0.44 0.00 -0.24 -2.21 0.00 0.00 174.62 171.95 1wgx n SER 68 N 0.61 -0.16 -4.81 8.08 2.88 -1.26 -5.12 113.62 113.84 1wgx n SER 68 Ca -0.16 0.26 -0.32 0.00 -1.33 0.00 0.00 58.87 57.32 1wgx n SER 68 Cb 0.57 0.27 0.02 0.00 -0.75 0.00 0.00 64.21 64.33 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 -4.40 1.94 -1.21 0.46 0.00 -1.26 -4.92 107.32 97.94 1wgx s GLY 69 Ca 0.00 0.26 -0.20 0.00 0.00 0.00 0.00 44.72 44.78 1wgx s GLY 69 CO 0.00 0.57 1.90 -1.55 0.00 0.00 0.00 173.10 174.02 1wgx n PRO 70 N -2.43 2.35 -1.46 2.90 -0.04 -1.26 -4.82 135.00 130.24 1wgx n PRO 70 Ca 0.08 -2.70 0.18 0.00 -0.04 0.00 0.00 63.50 61.03 1wgx n PRO 70 Cb 0.53 -3.47 -0.09 0.00 -0.04 0.00 0.00 33.50 30.44 1wgx n PRO 70 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgx n SER 71 N 10.04 -8.30 -4.56 3.54 7.64 -1.26 -4.55 113.62 116.16 1wgx n SER 71 Ca 0.48 1.30 -0.42 0.00 1.01 0.00 0.00 58.87 61.24 1wgx n SER 71 Cb 0.44 -4.91 -0.03 0.00 -1.01 0.00 0.00 64.21 58.70 1wgx n SER 71 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgx s SER 72 N -7.30 6.34 0.00 6.43 0.01 -1.26 -5.14 113.70 112.78 1wgx s SER 72 Ca 0.00 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1wgx s SER 72 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1wgx s SER 72 CO 0.00 -1.57 0.00 0.61 0.41 0.00 0.00 173.24 172.69