#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 -8.24 -2.15 1.61 7.64 -1.26 -4.95 113.62 106.28 1wgx n SER 2 Ca 0.00 1.73 0.00 0.00 1.01 0.00 0.00 58.87 61.61 1wgx n SER 2 Cb 0.00 -5.05 0.00 0.00 -1.01 0.00 0.00 64.21 58.15 1wgx n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgx n SER 3 N -3.25 -8.64 0.00 6.43 2.88 -1.26 -4.68 113.62 105.11 1wgx n SER 3 Ca -0.04 1.60 0.00 0.00 -1.33 0.00 0.00 58.87 59.10 1wgx n SER 3 Cb 0.56 -4.71 0.00 0.00 -0.75 0.00 0.00 64.21 59.31 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 1.62 -0.46 3.20 0.46 0.00 -1.26 -4.72 105.19 104.03 1wgx n GLY 4 Ca 0.00 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1wgx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgx s SER 5 N -4.00 6.05 -0.56 1.61 1.04 -1.26 -4.80 113.70 111.78 1wgx s SER 5 Ca 0.00 -2.98 -0.28 0.00 0.48 0.00 0.00 55.95 53.17 1wgx s SER 5 Cb 0.00 -2.02 0.04 0.00 0.10 0.00 0.00 66.02 64.14 1wgx s SER 5 CO 0.00 -0.41 0.65 -1.54 0.98 0.00 0.00 173.24 172.92 1wgx n SER 6 N 3.43 -5.43 -3.03 7.02 3.41 -1.26 -3.67 113.62 114.09 1wgx n SER 6 Ca 0.13 -0.36 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1wgx n SER 6 Cb 0.41 -1.82 0.01 0.00 -0.26 0.00 0.00 64.21 62.55 1wgx n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgx n GLY 7 N -0.61 -1.54 3.34 5.00 0.00 -1.26 -4.90 105.19 105.23 1wgx n GLY 7 Ca -0.14 0.79 -0.33 0.00 0.00 0.00 0.00 46.02 46.34 1wgx n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wgx n ASP 8 N 0.30 -2.24 -1.01 1.61 9.92 -1.24 -4.88 116.55 119.01 1wgx n ASP 8 Ca 0.02 0.10 -0.06 0.00 -0.53 0.00 0.00 54.79 54.31 1wgx n ASP 8 Cb 0.40 -1.08 -0.06 0.00 -0.64 0.00 0.00 41.12 39.73 1wgx n ASP 8 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1wgx n LYS 9 N -1.90 0.00 -3.16 -1.24 -0.00 -1.26 -4.03 118.16 106.56 1wgx n LYS 9 Ca 0.04 -1.02 -0.21 0.00 -0.00 0.00 0.00 58.31 57.12 1wgx n LYS 9 Cb 0.58 0.46 0.01 0.00 -0.00 0.00 0.00 35.03 36.07 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 0.00 3.05 0.53 -1.58 2.02 -1.26 -5.10 118.70 116.36 1wgx s GLU 10 Ca 0.02 -0.73 0.07 0.00 0.02 0.00 0.00 54.97 54.34 1wgx s GLU 10 Cb 0.02 -2.66 0.04 0.00 0.10 0.00 0.00 34.13 31.62 1wgx s GLU 10 CO -0.01 -0.16 0.47 -1.58 0.02 0.00 0.00 175.26 174.00 1wgx s TRP 11 N -2.41 1.78 0.10 1.61 0.52 -1.26 -4.79 118.94 114.49 1wgx s TRP 11 Ca 0.48 -0.76 0.08 0.00 0.02 0.00 0.00 56.10 55.91 1wgx s TRP 11 Cb -0.10 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.17 1wgx s TRP 11 CO 0.35 -0.53 -0.13 0.54 0.02 0.00 0.00 176.95 177.20 1wgx s ASN 12 N -4.32 4.17 0.56 2.95 4.22 -1.26 -4.96 114.94 116.30 1wgx s ASN 12 Ca 0.41 -0.44 0.44 0.00 -2.14 0.00 0.00 52.86 51.13 1wgx s ASN 12 Cb -0.03 -0.72 1.62 0.00 1.28 0.00 0.00 41.25 43.40 1wgx s ASN 12 CO 0.26 0.19 1.64 -0.08 -2.04 0.00 0.00 177.10 177.07 1wgx h GLU 13 N 3.78 0.00 -0.33 3.55 4.81 -2.00 1.52 114.58 125.92 1wgx h GLU 13 Ca -0.49 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1wgx h GLU 13 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1wgx h GLU 13 CO 0.50 0.00 0.16 -0.22 -0.73 0.00 0.00 179.01 178.72 1wgx h LYS 14 N 0.00 0.46 0.19 1.92 3.64 -1.99 -1.56 116.57 119.24 1wgx h LYS 14 Ca 0.76 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 60.07 1wgx h LYS 14 Cb 3.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 34.87 1wgx h LYS 14 CO -0.01 0.42 -0.09 0.93 -2.27 0.00 0.00 179.45 178.43 1wgx h GLU 15 N 0.39 -0.25 -0.11 1.90 4.39 0.17 -2.82 114.58 118.25 1wgx h GLU 15 Ca 0.11 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1wgx h GLU 15 Cb 0.10 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1wgx h GLU 15 CO -0.02 0.14 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.83 1wgx h LEU 16 N -0.90 -0.24 -0.99 1.33 -0.00 -1.08 1.58 115.31 115.01 1wgx h LEU 16 Ca -0.03 0.04 0.30 0.00 -0.00 0.00 0.00 57.88 58.19 1wgx h LEU 16 Cb 0.50 0.11 -0.14 0.00 -0.00 0.00 0.00 40.66 41.12 1wgx h LEU 16 CO 0.04 -0.03 0.53 0.06 -0.00 0.00 0.00 178.44 179.05 1wgx h GLN 17 N -0.00 0.34 -0.46 1.13 3.07 -1.42 1.67 115.11 119.43 1wgx h GLN 17 Ca 0.02 -0.02 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 1wgx h GLN 17 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 27.48 27.51 1wgx h GLN 17 CO -0.10 0.22 -0.07 0.87 0.09 0.00 0.00 178.83 179.84 1wgx h LYS 18 N 0.35 0.81 0.17 0.06 1.57 0.70 1.46 116.57 121.69 1wgx h LYS 18 Ca 0.70 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 1wgx h LYS 18 Cb 1.55 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.78 1wgx h LYS 18 CO -0.59 0.87 -0.08 1.25 -0.57 0.00 0.00 179.45 180.32 1wgx h LEU 19 N 0.74 -0.19 0.31 2.94 5.85 1.27 -1.75 115.31 124.49 1wgx h LEU 19 Ca 0.13 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1wgx h LEU 19 Cb 0.56 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1wgx h LEU 19 CO 0.03 0.30 -0.15 0.45 -0.34 0.00 0.00 178.44 178.74 1wgx h HIS 20 N -0.75 -0.39 0.00 1.25 3.86 0.63 0.40 115.15 120.14 1wgx h HIS 20 Ca -0.02 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1wgx h HIS 20 Cb 0.52 0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1wgx h HIS 20 CO 0.07 -0.14 0.00 0.00 0.86 0.00 0.00 177.93 178.72 1wgx h ALA 22 N -1.34 0.11 -0.91 0.00 0.00 -1.35 1.78 119.26 117.54 1wgx h ALA 22 Ca 0.00 0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.35 1wgx h ALA 22 Cb 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1wgx h ALA 22 CO 0.00 -0.58 0.65 0.35 0.00 0.00 0.00 179.25 179.68 1wgx h PHE 23 N -0.12 0.05 0.00 0.00 3.57 0.94 1.54 116.94 122.92 1wgx h PHE 23 Ca 0.24 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 1wgx h PHE 23 Cb 0.50 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1wgx h PHE 23 CO -0.53 0.01 -0.77 0.00 -2.23 0.00 0.00 178.31 174.79 1wgx h ALA 24 N 1.55 0.12 -0.21 2.41 0.00 0.80 -3.39 119.26 120.54 1wgx h ALA 24 Ca 0.44 -0.78 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1wgx h ALA 24 Cb 1.70 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 19.97 1wgx h ALA 24 CO -0.02 0.52 -0.15 1.03 0.00 0.00 0.00 179.25 180.62 1wgx h SER 25 N -1.00 -0.50 -3.89 0.00 0.87 0.30 -3.41 113.55 105.93 1wgx h SER 25 Ca -0.15 0.10 -0.47 0.00 -1.23 0.00 0.00 61.79 60.04 1wgx h SER 25 Cb 0.85 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1wgx h SER 25 CO -0.09 -0.19 0.28 -0.76 -0.53 0.00 0.00 176.83 175.53 1wgx s LEU 26 N -10.47 4.15 0.53 2.23 1.43 0.52 -5.04 118.68 112.03 1wgx s LEU 26 Ca -0.14 1.65 -0.18 0.00 -1.03 0.00 0.00 54.13 54.42 1wgx s LEU 26 Cb 0.11 -4.16 -0.07 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 0.00 176.35 175.96 1wgx s PRO 27 N -2.60 3.63 0.00 1.29 0.04 -1.26 -4.63 135.00 131.47 1wgx s PRO 27 Ca 0.54 1.28 0.25 0.00 0.04 0.00 0.00 61.00 63.11 1wgx s PRO 27 Cb -0.14 -2.07 0.47 0.00 0.04 0.00 0.00 34.50 32.80 1wgx s PRO 27 CO 0.18 -0.56 1.38 1.63 0.04 0.00 0.00 177.00 179.67 1wgx n LYS 28 N -1.39 0.59 0.00 4.56 4.01 -1.26 -3.61 118.16 121.05 1wgx n LYS 28 Ca 0.09 -0.39 0.13 0.00 -0.51 0.00 0.00 58.31 57.63 1wgx n LYS 28 Cb 0.53 -1.49 0.44 0.00 -0.51 0.00 0.00 35.03 34.00 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 -0.87 0.00 -1.17 2.13 1.44 -1.26 -4.88 115.22 110.61 1wgx n HIS 29 Ca 0.09 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.50 1wgx n HIS 29 Cb 0.36 -0.38 0.12 0.00 0.12 0.00 0.00 29.99 30.21 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 -2.99 1.72 0.00 -1.40 1.02 -1.24 -5.02 119.74 111.83 1wgx s LYS 30 Ca 0.13 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.19 1wgx s LYS 30 Cb 0.18 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 1wgx s LYS 30 CO 0.61 -1.99 0.18 -0.35 -0.92 0.00 0.00 175.35 172.88 1wgx n PRO 31 N -3.75 0.00 -1.03 -1.68 -0.04 -1.26 -4.10 135.00 123.15 1wgx n PRO 31 Ca 0.08 0.23 -0.17 0.00 -0.04 0.00 0.00 63.50 63.61 1wgx n PRO 31 Cb 0.54 -0.85 -0.14 0.00 -0.04 0.00 0.00 33.50 33.00 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 1.52 3.17 0.25 0.55 0.00 -1.26 -4.58 105.19 104.84 1wgx n GLY 32 Ca 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 46.02 44.81 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 3.47 0.37 -0.31 1.61 3.57 -1.89 0.17 116.94 123.93 1wgx h PHE 33 Ca 0.31 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 1wgx h PHE 33 Cb 1.24 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1wgx h PHE 33 CO 1.79 0.04 0.18 -1.49 -2.23 0.00 0.00 178.31 176.61 1wgx h TRP 34 N 0.37 0.41 -0.76 0.41 -0.00 -1.87 0.13 115.95 114.64 1wgx h TRP 34 Ca 0.34 -0.00 0.11 0.00 -0.00 0.00 0.00 58.89 59.35 1wgx h TRP 34 Cb 0.49 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 29.46 1wgx h TRP 34 CO -0.19 0.30 0.50 0.66 -0.00 0.00 0.00 178.44 179.71 1wgx h SER 35 N 0.39 0.54 0.29 -3.49 4.64 -1.33 0.62 113.55 115.21 1wgx h SER 35 Ca 0.11 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1wgx h SER 35 Cb 0.02 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1wgx h SER 35 CO -0.02 0.31 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.78 1wgx h GLU 36 N 0.59 -0.38 -0.26 4.77 5.08 0.37 -2.59 114.58 122.16 1wgx h GLU 36 Ca 0.36 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.82 1wgx h GLU 36 Cb 0.59 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1wgx h GLU 36 CO -0.13 -0.25 0.38 -0.39 -1.00 0.00 0.00 179.01 177.61 1wgx h VAL 37 N -0.77 0.27 0.00 3.13 -1.51 -0.53 1.63 116.25 118.48 1wgx h VAL 37 Ca -0.04 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.39 1wgx h VAL 37 Cb 0.30 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 1wgx h VAL 37 CO 0.07 0.00 -0.17 0.00 -1.23 0.00 0.00 177.57 176.23 1wgx h ALA 38 N 1.49 0.94 0.50 5.19 0.00 0.30 -0.69 119.26 126.99 1wgx h ALA 38 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wgx h ALA 38 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1wgx h ALA 38 CO -0.00 0.22 -0.24 0.00 0.00 0.00 0.00 179.25 179.23 1wgx h ALA 39 N 1.83 -0.67 0.00 0.00 0.00 0.28 1.98 119.26 122.68 1wgx h ALA 39 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1wgx h ALA 39 Cb 0.90 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1wgx h ALA 39 CO 0.02 -0.82 -0.37 0.00 0.00 0.00 0.00 179.25 178.08 1wgx h ALA 40 N -0.33 0.86 -0.48 0.00 0.00 -1.56 -2.56 119.26 115.19 1wgx h ALA 40 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1wgx h ALA 40 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wgx h ALA 40 CO 0.11 0.47 0.00 0.28 0.00 0.00 0.00 179.25 180.11 1wgx n VAL 41 N -3.34 0.64 -0.04 0.00 0.31 -0.27 -4.59 118.33 111.04 1wgx n VAL 41 Ca 0.01 -0.68 0.03 0.00 -0.01 0.00 0.00 64.34 63.69 1wgx n VAL 41 Cb 0.58 0.42 0.06 0.00 -0.91 0.00 0.00 33.84 34.00 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 1.34 -0.11 0.64 2.92 0.00 0.67 0.29 105.19 110.94 1wgx n GLY 42 Ca 0.18 0.10 0.45 0.00 0.00 0.00 0.00 46.02 46.75 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 -2.95 1.61 7.64 -1.26 -4.42 113.62 110.77 1wgx n SER 43 Ca 0.04 0.89 -0.16 0.00 1.01 0.00 0.00 58.87 60.65 1wgx n SER 43 Cb 0.13 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 62.87 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 -3.66 0.63 -3.23 1.43 5.12 0.83 -5.17 116.66 112.62 1wgx n ARG 44 Ca 0.38 -2.26 -0.23 0.00 -1.93 0.00 0.00 57.85 53.81 1wgx n ARG 44 Cb 1.81 1.33 -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 -2.63 6.04 0.28 0.55 1.04 -1.26 -4.90 113.70 112.82 1wgx s SER 45 Ca 0.16 0.28 0.13 0.00 0.48 0.00 0.00 55.95 57.00 1wgx s SER 45 Cb 0.01 -1.70 0.31 0.00 0.10 0.00 0.00 66.02 64.73 1wgx s SER 45 CO 0.11 -0.49 1.56 1.55 0.98 0.00 0.00 173.24 176.95 1wgx h PRO 46 N 0.62 0.00 0.00 4.02 0.13 -1.90 -2.47 132.00 132.40 1wgx h PRO 46 Ca -0.48 0.00 -0.04 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 32.36 1wgx h PRO 46 CO 0.58 0.60 -0.21 0.93 -0.23 0.00 0.00 178.00 179.67 1wgx h GLU 47 N 0.00 0.00 0.05 0.86 5.08 -1.95 -3.00 114.58 115.63 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 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1wgx h GLU 47 CO 0.08 0.21 -1.51 0.93 -1.00 0.00 0.00 179.01 177.72 1wgx h GLU 48 N 0.00 0.11 -0.20 2.33 4.39 -1.92 -3.19 114.58 116.10 1wgx h GLU 48 Ca -0.00 -0.19 0.06 0.00 0.34 0.00 0.00 59.36 59.56 1wgx h GLU 48 Cb 0.82 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1wgx h GLU 48 CO 0.03 0.89 0.19 0.00 -1.16 0.00 0.00 179.01 178.95 1wgx h GLN 50 N 0.00 -0.03 -0.70 0.00 4.15 -1.60 -2.41 115.11 114.52 1wgx h GLN 50 Ca 0.10 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.62 1wgx h GLN 50 Cb 0.47 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.12 1wgx h GLN 50 CO -0.00 0.56 0.46 0.00 -1.93 0.00 0.00 178.83 177.93 1wgx h ARG 51 N -0.98 0.55 0.60 1.69 3.08 -1.33 0.32 114.38 118.31 1wgx h ARG 51 Ca -0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1wgx h ARG 51 Cb 0.60 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1wgx h ARG 51 CO 0.00 0.36 -0.29 -0.22 -1.07 0.00 0.00 179.97 178.76 1wgx h LYS 52 N 0.56 -0.78 -0.26 0.04 1.63 -0.43 -2.96 116.57 114.37 1wgx h LYS 52 Ca 0.32 0.05 0.06 0.00 -0.85 0.00 0.00 60.65 60.24 1wgx h LYS 52 Cb 0.51 0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 32.25 1wgx h LYS 52 CO -0.11 -0.49 -0.16 -0.92 -3.45 0.00 0.00 179.45 174.32 1wgx h TYR 53 N -1.18 -0.39 -0.95 1.91 5.03 -0.94 -1.04 116.97 119.41 1wgx h TYR 53 Ca -0.08 0.03 0.30 0.00 2.58 0.00 0.00 58.73 61.56 1wgx h TYR 53 Cb 0.64 0.21 -0.16 0.00 1.55 0.00 0.00 36.73 38.97 1wgx h TYR 53 CO 0.00 -0.23 0.31 0.52 -1.32 0.00 0.00 178.16 177.44 1wgx h MET 54 N -0.13 0.13 0.08 1.82 2.86 -0.42 0.85 114.93 120.12 1wgx h MET 54 Ca 0.14 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1wgx h MET 54 Cb 0.35 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1wgx h MET 54 CO -0.34 0.09 -0.04 0.93 1.06 0.00 0.00 176.91 178.60 1wgx h GLU 55 N 0.14 -0.11 -2.68 1.72 4.39 -1.04 -3.36 114.58 113.64 1wgx h GLU 55 Ca 0.66 0.01 -0.61 0.00 0.34 0.00 0.00 59.36 59.76 1wgx h GLU 55 Cb 1.48 0.02 -0.41 0.00 -0.10 0.00 0.00 28.75 29.74 1wgx h GLU 55 CO -0.74 0.20 -0.67 0.27 -1.16 0.00 0.00 179.01 176.91 1wgx n ASN 56 N -5.00 2.50 -2.96 1.42 6.94 0.98 -4.36 115.26 114.78 1wgx n ASN 56 Ca -0.08 -3.11 0.00 0.00 -0.02 0.00 0.00 54.58 51.36 1wgx n ASN 56 Cb 0.19 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 36.92 1wgx n ASN 56 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1wgx n PRO 57 N 1.77 0.57 -2.42 -0.53 -0.04 0.26 -4.62 135.00 129.98 1wgx n PRO 57 Ca 0.24 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.33 1wgx n PRO 57 Cb 0.40 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.82 1wgx n PRO 57 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wgx s ARG 58 N -0.87 3.36 0.00 0.54 3.00 -1.26 -4.41 118.95 119.31 1wgx s ARG 58 Ca 0.00 -1.09 0.00 0.00 -1.00 0.00 0.00 55.73 53.64 1wgx s ARG 58 Cb 0.00 -5.32 0.00 0.00 0.00 0.00 0.00 34.95 29.63 1wgx s ARG 58 CO 0.00 -2.59 0.00 0.41 0.00 0.00 0.00 175.30 173.12 1wgx n GLY 59 N 6.56 1.45 3.16 8.12 0.00 -1.26 -5.09 105.19 118.13 1wgx n GLY 59 Ca 0.38 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1wgx n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wgx n LYS 60 N 0.00 -1.19 0.00 1.61 4.76 -1.26 -4.85 118.16 117.23 1wgx n LYS 60 Ca 0.00 -0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.10 1wgx n LYS 60 Cb 0.00 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 1wgx n LYS 60 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wgx n GLY 61 N 2.52 -1.52 3.45 0.72 0.00 -1.26 -3.75 105.19 105.35 1wgx n GLY 61 Ca 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 46.02 46.28 1wgx n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgx n SER 62 N 0.00 -1.68 -1.14 1.61 3.41 -1.26 -4.79 113.62 109.77 1wgx n SER 62 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1wgx n SER 62 Cb 0.00 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 1wgx n SER 62 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1wgx n GLN 63 N -4.22 -3.22 -4.37 4.33 7.27 -1.26 -5.07 117.38 110.84 1wgx n GLN 63 Ca 0.04 2.41 -0.19 0.00 0.07 0.00 0.00 57.00 59.33 1wgx n GLN 63 Cb 0.55 -2.76 -0.10 0.00 2.41 0.00 0.00 30.24 30.34 1wgx n GLN 63 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1wgx s LYS 64 N -4.50 1.57 -0.10 3.69 1.02 -1.26 -5.08 119.74 115.07 1wgx s LYS 64 Ca 0.00 -1.88 -0.13 0.00 0.02 0.00 0.00 55.97 53.98 1wgx s LYS 64 Cb 0.00 -0.38 -0.11 0.00 -0.52 0.00 0.00 37.83 36.82 1wgx s LYS 64 CO 0.00 -0.34 0.40 1.12 -0.92 0.00 0.00 175.35 175.61 1wgx h HIS 65 N 2.21 -0.06 -3.60 3.18 2.07 -2.00 -3.50 115.15 113.46 1wgx h HIS 65 Ca -0.37 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.15 1wgx h HIS 65 Cb 1.25 0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.25 1wgx h HIS 65 CO 0.75 0.33 -0.82 0.28 -3.07 0.00 0.00 177.93 175.39 1wgx n VAL 66 N -4.77 -6.45 -3.61 6.12 0.31 -1.26 -5.01 118.33 103.66 1wgx n VAL 66 Ca -0.05 2.41 -0.20 0.00 -0.01 0.00 0.00 64.34 66.50 1wgx n VAL 66 Cb 0.20 -3.50 -0.01 0.00 -0.91 0.00 0.00 33.84 29.62 1wgx n VAL 66 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1wgx s THR 67 N -1.58 4.45 0.22 2.52 -4.23 -1.26 -5.04 115.64 110.71 1wgx s THR 67 Ca 0.00 -0.97 -0.32 0.00 -1.18 0.00 0.00 61.69 59.22 1wgx s THR 67 Cb 0.00 -3.56 -0.14 0.00 1.34 0.00 0.00 72.50 70.14 1wgx s THR 67 CO 0.00 -0.22 1.37 -1.54 -0.54 0.00 0.00 174.62 173.69 1wgx n SER 68 N -1.58 2.49 0.00 3.99 3.41 -1.26 -4.89 113.62 115.78 1wgx n SER 68 Ca -0.03 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1wgx n SER 68 Cb 0.58 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 1wgx n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgx n GLY 69 N 2.24 -1.92 3.81 5.00 0.00 -1.26 -5.16 105.19 107.90 1wgx n GLY 69 Ca 0.13 0.91 -0.33 0.00 0.00 0.00 0.00 46.02 46.74 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 3.38 0.10 1.61 0.04 -1.26 -5.08 135.00 133.79 1wgx s PRO 70 Ca 0.00 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.22 1wgx s PRO 70 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1wgx s PRO 70 CO 0.00 -0.76 -0.07 0.45 0.04 0.00 0.00 177.00 176.66 1wgx s SER 71 N -2.88 1.16 0.08 6.66 0.15 -1.26 -5.13 113.70 112.49 1wgx s SER 71 Ca 0.63 -1.00 -0.30 0.00 0.70 0.00 0.00 55.95 55.98 1wgx s SER 71 Cb -0.15 0.09 -0.05 0.00 -1.71 0.00 0.00 66.02 64.20 1wgx s SER 71 CO 0.37 -0.46 0.96 -0.94 1.20 0.00 0.00 173.24 174.38 1wgx s SER 72 N -3.02 7.46 0.00 5.45 1.04 -1.26 -5.37 113.70 118.00 1wgx s SER 72 Ca 0.12 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.30 1wgx s SER 72 Cb 0.05 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wgx s SER 72 CO -0.04 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.67