#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 -7.12 0.18 1.61 2.88 -1.26 -4.92 113.62 104.99 1wgx n SER 2 Ca 0.00 0.79 -0.11 0.00 -1.33 0.00 0.00 58.87 58.22 1wgx n SER 2 Cb 0.00 -3.02 -0.06 0.00 -0.75 0.00 0.00 64.21 60.37 1wgx n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wgx h SER 3 N 3.37 -0.44 0.00 -3.46 0.87 -1.89 -3.45 113.55 108.54 1wgx h SER 3 Ca -0.01 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1wgx h SER 3 Cb 0.63 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1wgx h SER 3 CO 0.04 -0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 1wgx n GLY 4 N 0.08 -1.24 0.08 5.77 0.00 -1.26 -4.99 105.19 103.63 1wgx n GLY 4 Ca -0.09 -1.29 -0.06 0.00 0.00 0.00 0.00 46.02 44.58 1wgx n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgx n SER 5 N 0.00 1.85 -3.65 1.61 3.41 -1.26 -5.02 113.62 110.57 1wgx n SER 5 Ca 0.00 0.54 -0.05 0.00 -0.26 0.00 0.00 58.87 59.10 1wgx n SER 5 Cb 0.00 -0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 63.05 1wgx n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wgx s SER 6 N -5.82 -0.98 -1.22 4.04 0.15 -1.26 -4.96 113.70 103.65 1wgx s SER 6 Ca -0.20 1.51 -0.16 0.00 0.70 0.00 0.00 55.95 57.80 1wgx s SER 6 Cb 0.03 1.65 -0.00 0.00 -1.71 0.00 0.00 66.02 65.99 1wgx s SER 6 CO 0.29 -0.23 0.68 0.61 1.20 0.00 0.00 173.24 175.79 1wgx n GLY 7 N 4.69 -0.76 3.06 9.45 0.00 -1.26 -4.97 105.19 115.40 1wgx n GLY 7 Ca -0.17 0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.73 2.26 -0.54 1.61 1.01 -1.26 -5.08 116.67 110.94 1wgx s ASP 8 Ca 0.34 -0.39 -0.27 0.00 0.71 0.00 0.00 52.55 52.94 1wgx s ASP 8 Cb -0.13 -1.02 -0.01 0.00 1.01 0.00 0.00 42.92 42.77 1wgx s ASP 8 CO 0.88 0.04 1.70 -0.75 0.21 0.00 0.00 175.17 177.25 1wgx s LYS 9 N 0.79 3.00 -0.28 8.23 2.36 -1.26 -4.62 119.74 127.96 1wgx s LYS 9 Ca -0.11 0.73 -0.29 0.00 -2.55 0.00 0.00 55.97 53.75 1wgx s LYS 9 Cb -0.16 -4.26 0.19 0.00 -1.05 0.00 0.00 37.83 32.55 1wgx s LYS 9 CO 0.02 -2.29 1.33 -1.21 1.55 0.00 0.00 175.35 174.75 1wgx s GLU 10 N 6.25 0.10 0.30 4.03 2.02 -1.26 -5.04 118.70 125.10 1wgx s GLU 10 Ca 0.65 0.03 0.08 0.00 0.02 0.00 0.00 54.97 55.74 1wgx s GLU 10 Cb -0.14 0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.10 1wgx s GLU 10 CO 0.25 -0.03 0.20 -1.58 0.02 0.00 0.00 175.26 174.12 1wgx s TRP 11 N -0.98 2.90 0.16 1.61 0.52 -1.26 -4.48 118.94 117.40 1wgx s TRP 11 Ca 0.08 -0.25 -0.02 0.00 0.02 0.00 0.00 56.10 55.93 1wgx s TRP 11 Cb -0.01 -1.58 -0.05 0.00 -1.15 0.00 0.00 33.47 30.68 1wgx s TRP 11 CO -0.07 0.36 0.35 0.54 0.02 0.00 0.00 176.95 178.15 1wgx s ASN 12 N -3.89 6.41 0.30 2.95 2.20 -1.26 -4.85 114.94 116.81 1wgx s ASN 12 Ca 0.37 0.43 0.14 0.00 -0.94 0.00 0.00 52.86 52.86 1wgx s ASN 12 Cb -0.06 -2.02 1.04 0.00 -2.00 0.00 0.00 41.25 38.21 1wgx s ASN 12 CO 0.25 0.02 1.34 -0.62 -2.94 0.00 0.00 177.10 175.15 1wgx n GLU 13 N -0.29 -0.05 0.00 3.55 4.71 -1.26 -0.46 120.64 126.84 1wgx n GLU 13 Ca -0.04 1.20 0.00 0.00 -0.01 0.00 0.00 57.16 58.31 1wgx n GLU 13 Cb 0.53 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.86 1wgx n GLU 13 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1wgx n LYS 14 N -4.99 0.00 -0.35 3.49 5.02 -1.26 0.67 118.16 120.74 1wgx n LYS 14 Ca 0.30 0.56 0.27 0.00 -2.02 0.00 0.00 58.31 57.41 1wgx n LYS 14 Cb 1.00 -1.40 0.55 0.00 -0.02 0.00 0.00 35.03 35.16 1wgx n LYS 14 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1wgx h GLU 15 N 0.00 0.29 0.06 1.97 4.39 -1.15 0.24 114.58 120.39 1wgx h GLU 15 Ca 0.00 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1wgx h GLU 15 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1wgx h GLU 15 CO 0.00 0.19 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.94 1wgx h LEU 16 N 0.30 -0.07 -1.66 1.33 -0.00 -0.10 0.91 115.31 116.01 1wgx h LEU 16 Ca 0.65 0.00 0.42 0.00 -0.00 0.00 0.00 57.88 58.95 1wgx h LEU 16 Cb 1.81 0.02 -0.09 0.00 -0.00 0.00 0.00 40.66 42.40 1wgx h LEU 16 CO -0.32 -0.05 0.95 0.06 -0.00 0.00 0.00 178.44 179.08 1wgx h GLN 17 N -0.09 0.09 0.47 1.13 3.07 0.12 0.49 115.11 120.39 1wgx h GLN 17 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.70 1wgx h GLN 17 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.61 1wgx h GLN 17 CO 0.01 0.06 -0.23 0.87 0.09 0.00 0.00 178.83 179.64 1wgx h LYS 18 N 0.09 -0.61 -0.23 0.06 1.57 -0.71 1.21 116.57 117.95 1wgx h LYS 18 Ca 0.76 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.63 1wgx h LYS 18 Cb 2.61 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 35.01 1wgx h LYS 18 CO -0.22 -0.30 -0.11 1.25 -0.57 0.00 0.00 179.45 179.50 1wgx h LEU 19 N -0.96 -0.38 0.79 2.94 5.85 0.23 0.55 115.31 124.33 1wgx h LEU 19 Ca -0.06 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1wgx h LEU 19 Cb 0.59 0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.84 1wgx h LEU 19 CO 0.11 -0.15 -0.38 0.45 -0.34 0.00 0.00 178.44 178.13 1wgx h HIS 20 N -0.09 -0.99 0.00 1.25 3.86 -0.57 0.52 115.15 119.13 1wgx h HIS 20 Ca 0.12 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1wgx h HIS 20 Cb 0.27 0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1wgx h HIS 20 CO -0.29 -0.60 0.00 0.00 0.86 0.00 0.00 177.93 177.90 1wgx h ALA 22 N -1.36 -0.04 -0.69 0.00 0.00 0.05 1.82 119.26 119.04 1wgx h ALA 22 Ca 0.00 0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.29 1wgx h ALA 22 Cb 0.00 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1wgx h ALA 22 CO 0.00 -0.69 0.54 0.35 0.00 0.00 0.00 179.25 179.46 1wgx h PHE 23 N -0.14 0.00 0.00 0.00 3.04 0.11 1.51 116.94 121.47 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 0.56 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 1wgx h PHE 23 CO -0.70 0.00 -0.58 0.00 -2.02 0.00 0.00 178.31 175.01 1wgx h ALA 24 N 1.56 0.08 -0.02 2.41 0.00 1.02 -3.39 119.26 120.91 1wgx h ALA 24 Ca 0.33 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1wgx h ALA 24 Cb 1.41 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 1wgx h ALA 24 CO -0.00 0.41 -0.18 0.77 0.00 0.00 0.00 179.25 180.25 1wgx h SER 25 N -1.00 -0.54 -3.93 0.00 0.02 0.28 -3.41 113.55 104.97 1wgx h SER 25 Ca -0.10 0.08 -0.46 0.00 -0.84 0.00 0.00 61.79 60.47 1wgx h SER 25 Cb 0.71 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1wgx h SER 25 CO -0.06 -0.24 0.28 -0.76 -1.14 0.00 0.00 176.83 174.91 1wgx s LEU 26 N -10.35 4.08 0.55 5.07 1.43 0.51 -5.04 118.68 114.93 1wgx s LEU 26 Ca -0.15 1.63 -0.17 0.00 -1.03 0.00 0.00 54.13 54.41 1wgx s LEU 26 Cb 0.09 -4.27 -0.06 0.00 0.03 0.00 0.00 46.19 41.98 1wgx s LEU 26 CO 0.67 -0.24 1.04 -2.16 0.23 0.00 0.00 176.35 175.89 1wgx s PRO 27 N -2.80 3.54 0.00 1.29 0.04 -1.26 -4.59 135.00 131.21 1wgx s PRO 27 Ca 0.57 1.23 0.27 0.00 0.04 0.00 0.00 61.00 63.10 1wgx s PRO 27 Cb -0.12 -2.06 0.75 0.00 0.04 0.00 0.00 34.50 33.11 1wgx s PRO 27 CO 0.17 -0.64 1.57 1.63 0.04 0.00 0.00 177.00 179.77 1wgx n LYS 28 N -1.64 1.66 -0.75 4.56 4.01 -1.26 -3.66 118.16 121.07 1wgx n LYS 28 Ca 0.09 -1.11 0.08 0.00 -0.51 0.00 0.00 58.31 56.86 1wgx n LYS 28 Cb 0.53 -1.48 0.37 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 0.29 1.75 -2.68 2.13 1.44 -1.26 -4.96 115.22 111.94 1wgx n HIS 29 Ca 0.16 -0.70 -0.23 0.00 -2.01 0.00 0.00 57.72 54.94 1wgx n HIS 29 Cb 0.42 -0.40 0.03 0.00 0.12 0.00 0.00 29.99 30.16 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 -2.44 2.74 0.00 -1.40 1.02 -1.24 -5.07 119.74 113.35 1wgx s LYS 30 Ca 0.52 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1wgx s LYS 30 Cb 0.38 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1wgx s LYS 30 CO 0.18 -0.61 0.14 -0.35 -0.92 0.00 0.00 175.35 173.79 1wgx n PRO 31 N -2.34 0.00 -1.02 -1.68 -0.04 -1.26 -4.15 135.00 124.51 1wgx n PRO 31 Ca 0.05 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1wgx n PRO 31 Cb 0.59 -0.67 -0.14 0.00 -0.04 0.00 0.00 33.50 33.24 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 1.71 3.13 0.36 0.55 0.00 -1.26 -4.56 105.19 105.11 1wgx n GLY 32 Ca 0.00 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 2.82 1.06 -0.22 1.61 3.57 -1.90 0.23 116.94 124.10 1wgx h PHE 33 Ca 0.20 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1wgx h PHE 33 Cb 1.38 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1wgx h PHE 33 CO 1.61 0.24 -0.02 -1.49 -2.23 0.00 0.00 178.31 176.42 1wgx h TRP 34 N 0.76 0.45 -0.63 0.41 -0.00 -1.87 -0.19 115.95 114.87 1wgx h TRP 34 Ca 0.58 -0.09 0.09 0.00 -0.00 0.00 0.00 58.89 59.48 1wgx h TRP 34 Cb 0.91 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 29.92 1wgx h TRP 34 CO -0.00 0.61 0.42 0.66 -0.00 0.00 0.00 178.44 180.13 1wgx h SER 35 N 0.15 0.43 0.25 -3.49 4.64 -1.05 0.50 113.55 114.98 1wgx h SER 35 Ca 0.06 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1wgx h SER 35 Cb 0.45 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1wgx h SER 35 CO 0.02 0.26 -0.12 -0.33 -0.87 0.00 0.00 176.83 175.79 1wgx h GLU 36 N 0.48 -0.32 -0.21 4.77 5.08 -0.26 -2.68 114.58 121.43 1wgx h GLU 36 Ca 0.29 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 1wgx h GLU 36 Cb 0.50 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1wgx h GLU 36 CO -0.09 -0.22 0.37 -0.39 -1.00 0.00 0.00 179.01 177.69 1wgx h VAL 37 N -0.69 0.22 0.00 3.13 -1.51 -0.83 1.66 116.25 118.23 1wgx h VAL 37 Ca -0.03 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.39 1wgx h VAL 37 Cb 0.26 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 1wgx h VAL 37 CO 0.06 0.00 -0.22 0.00 -1.23 0.00 0.00 177.57 176.18 1wgx h ALA 38 N 1.45 0.93 0.59 5.19 0.00 0.05 -0.68 119.26 126.79 1wgx h ALA 38 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1wgx h ALA 38 Cb 0.84 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1wgx h ALA 38 CO -0.00 0.27 -0.28 0.00 0.00 0.00 0.00 179.25 179.24 1wgx h ALA 39 N 1.78 -0.79 0.00 0.00 0.00 0.28 1.98 119.26 122.52 1wgx h ALA 39 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1wgx h ALA 39 Cb 0.92 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1wgx h ALA 39 CO 0.03 -0.90 -0.27 0.00 0.00 0.00 0.00 179.25 178.12 1wgx h ALA 40 N -0.53 0.92 -0.50 0.00 0.00 -1.57 -2.42 119.26 115.16 1wgx h ALA 40 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wgx h ALA 40 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wgx h ALA 40 CO 0.13 0.33 0.00 0.28 0.00 0.00 0.00 179.25 179.99 1wgx n VAL 41 N -3.30 0.66 -0.04 0.00 0.31 -0.26 -4.60 118.33 111.11 1wgx n VAL 41 Ca 0.01 -0.71 0.03 0.00 -0.01 0.00 0.00 64.34 63.65 1wgx n VAL 41 Cb 0.52 0.47 0.05 0.00 -0.91 0.00 0.00 33.84 33.97 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 1.39 -0.11 0.64 2.92 0.00 0.67 0.31 105.19 111.00 1wgx n GLY 42 Ca 0.19 0.10 0.44 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 -3.50 0.00 -2.93 1.61 2.88 -1.26 -4.42 113.62 106.00 1wgx n SER 43 Ca 0.03 0.89 -0.16 0.00 -1.33 0.00 0.00 58.87 58.31 1wgx n SER 43 Cb 0.12 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.12 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 -3.64 0.64 -3.28 -1.46 5.12 0.90 -5.14 116.66 109.80 1wgx n ARG 44 Ca 0.37 -2.21 -0.22 0.00 -1.93 0.00 0.00 57.85 53.85 1wgx n ARG 44 Cb 1.81 1.30 -0.00 0.00 -1.16 0.00 0.00 32.46 34.41 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 -2.60 6.04 0.28 0.55 0.01 -1.26 -4.90 113.70 111.83 1wgx s SER 45 Ca 0.15 0.22 0.14 0.00 1.31 0.00 0.00 55.95 57.77 1wgx s SER 45 Cb 0.01 -1.65 0.32 0.00 0.21 0.00 0.00 66.02 64.91 1wgx s SER 45 CO 0.11 -0.48 1.57 1.55 0.41 0.00 0.00 173.24 176.40 1wgx h PRO 46 N 0.66 0.00 0.00 12.44 0.13 -1.90 -2.50 132.00 140.83 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 32.37 1wgx h PRO 46 CO 0.58 0.58 -0.21 0.93 -0.23 0.00 0.00 178.00 179.64 1wgx h GLU 47 N 0.00 0.00 0.08 0.86 5.08 -1.95 -2.99 114.58 115.66 1wgx h GLU 47 Ca -0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1wgx h GLU 47 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1wgx h GLU 47 CO 0.07 0.21 -1.55 0.93 -1.00 0.00 0.00 179.01 177.68 1wgx h GLU 48 N 0.00 0.16 -0.42 2.33 4.39 -1.92 -3.24 114.58 115.89 1wgx h GLU 48 Ca -0.00 -0.27 0.12 0.00 0.34 0.00 0.00 59.36 59.54 1wgx h GLU 48 Cb 0.79 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1wgx h GLU 48 CO 0.03 0.96 0.36 0.00 -1.16 0.00 0.00 179.01 179.20 1wgx h GLN 50 N 0.00 -0.03 -0.63 0.00 4.15 -1.61 -2.31 115.11 114.69 1wgx h GLN 50 Ca 0.20 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.67 1wgx h GLN 50 Cb 0.91 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.55 1wgx h GLN 50 CO -0.00 0.72 0.35 0.00 -1.93 0.00 0.00 178.83 177.97 1wgx h ARG 51 N -0.89 0.64 0.88 1.69 3.08 -1.17 0.86 114.38 119.48 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 0.76 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.67 1wgx h ARG 51 CO 0.00 0.42 -0.42 -0.22 -1.07 0.00 0.00 179.97 178.68 1wgx h LYS 52 N 0.66 -1.14 -0.54 0.04 1.63 -0.47 -2.11 116.57 114.63 1wgx h LYS 52 Ca 0.28 0.08 0.09 0.00 -0.85 0.00 0.00 60.65 60.24 1wgx h LYS 52 Cb 0.15 0.26 -0.07 0.00 -0.60 0.00 0.00 32.23 31.98 1wgx h LYS 52 CO -0.17 -0.76 0.16 -0.92 -3.45 0.00 0.00 179.45 174.31 1wgx h TYR 53 N -1.19 0.27 -0.83 1.91 5.03 -1.18 -0.91 116.97 120.07 1wgx h TYR 53 Ca -0.12 0.03 0.20 0.00 2.58 0.00 0.00 58.73 61.42 1wgx h TYR 53 Cb 0.91 -0.04 -0.13 0.00 1.55 0.00 0.00 36.73 39.02 1wgx h TYR 53 CO 0.03 0.05 0.23 0.52 -1.32 0.00 0.00 178.16 177.67 1wgx h MET 54 N 0.32 0.25 -0.04 1.82 2.86 0.88 1.00 114.93 122.03 1wgx h MET 54 Ca 0.27 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1wgx h MET 54 Cb 0.34 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1wgx h MET 54 CO -0.30 0.17 -0.03 0.93 1.06 0.00 0.00 176.91 178.73 1wgx h GLU 55 N 0.26 0.09 -2.76 1.72 4.39 -0.54 -3.36 114.58 114.38 1wgx h GLU 55 Ca 0.50 -0.05 -0.61 0.00 0.34 0.00 0.00 59.36 59.54 1wgx h GLU 55 Cb 0.93 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 29.17 1wgx h GLU 55 CO -0.58 0.53 -0.63 0.09 -1.16 0.00 0.00 179.01 177.26 1wgx n ASN 56 N -4.79 2.82 -0.04 1.42 3.02 -0.17 -4.88 115.26 112.64 1wgx n ASN 56 Ca -0.08 -3.19 -0.14 0.00 -0.03 0.00 0.00 54.58 51.15 1wgx n ASN 56 Cb 0.27 -0.72 -0.11 0.00 -0.61 0.00 0.00 39.78 38.61 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 5.05 0.03 -7.04 3.52 0.13 0.80 -3.41 132.00 131.08 1wgx h PRO 57 Ca 0.17 -0.03 -0.46 0.00 -0.87 0.00 0.00 66.00 64.81 1wgx h PRO 57 Cb 0.75 0.01 0.05 0.00 0.13 0.00 0.00 31.00 31.94 1wgx h PRO 57 CO 0.71 0.77 0.10 -0.98 -0.23 0.00 0.00 178.00 178.38 1wgx s ARG 58 N -3.22 2.72 -0.68 0.86 1.70 -1.26 -4.92 118.95 114.16 1wgx s ARG 58 Ca -0.17 -0.28 -0.34 0.00 -0.47 0.00 0.00 55.73 54.48 1wgx s ARG 58 Cb -0.00 -2.34 -0.17 0.00 -0.57 0.00 0.00 34.95 31.87 1wgx s ARG 58 CO 0.69 -0.74 2.43 0.41 -1.08 0.00 0.00 175.30 177.01 1wgx n GLY 59 N -2.53 -0.10 5.00 3.88 0.00 -1.26 -2.75 105.19 107.42 1wgx n GLY 59 Ca 0.05 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.09 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 8.32 0.00 -3.76 1.61 4.81 -1.26 -4.77 118.16 123.10 1wgx n LYS 60 Ca 0.54 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.74 1wgx n LYS 60 Cb 0.14 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.19 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 0.00 -1.31 3.50 3.14 0.00 -1.11 -4.69 105.19 104.72 1wgx n GLY 61 Ca 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.00 -0.21 -0.34 1.61 0.01 -1.26 -4.58 113.70 105.93 1wgx s SER 62 Ca 0.01 -0.54 -0.11 0.00 1.31 0.00 0.00 55.95 56.62 1wgx s SER 62 Cb -0.00 0.56 0.01 0.00 0.21 0.00 0.00 66.02 66.80 1wgx s SER 62 CO 0.89 -1.03 0.45 1.67 0.41 0.00 0.00 173.24 175.63 1wgx n GLN 63 N -0.32 -1.70 -2.77 12.44 7.27 -1.26 -5.04 117.38 126.00 1wgx n GLN 63 Ca -0.10 1.67 -0.05 0.00 0.07 0.00 0.00 57.00 58.60 1wgx n GLN 63 Cb 0.62 -4.60 0.01 0.00 2.41 0.00 0.00 30.24 28.68 1wgx n GLN 63 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1wgx n LYS 64 N -0.45 0.55 -4.16 3.69 4.81 -1.26 -5.15 118.16 116.18 1wgx n LYS 64 Ca 0.08 -2.04 -0.12 0.00 -0.87 0.00 0.00 58.31 55.36 1wgx n LYS 64 Cb 0.35 -1.47 -0.10 0.00 0.02 0.00 0.00 35.03 33.83 1wgx n LYS 64 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1wgx s HIS 65 N 0.85 0.94 -0.10 5.64 3.76 -1.26 -5.15 115.29 119.96 1wgx s HIS 65 Ca 0.30 -0.77 0.04 0.00 -0.15 0.00 0.00 55.06 54.47 1wgx s HIS 65 Cb 0.01 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.18 1wgx s HIS 65 CO -0.06 -0.08 -0.23 0.54 -0.85 0.00 0.00 174.74 174.06 1wgx s VAL 66 N -2.97 1.98 -0.29 -0.90 0.11 -1.26 -5.10 120.40 111.97 1wgx s VAL 66 Ca 0.07 -0.97 -0.23 0.00 -2.93 0.00 0.00 61.98 57.93 1wgx s VAL 66 Cb 0.01 -1.73 0.18 0.00 -1.53 0.00 0.00 36.38 33.31 1wgx s VAL 66 CO -0.02 0.54 1.31 0.28 -3.33 0.00 0.00 175.10 173.88 1wgx s THR 67 N 0.45 0.00 -0.30 5.04 -1.32 -1.26 -5.14 115.64 113.11 1wgx s THR 67 Ca -0.16 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.19 1wgx s THR 67 Cb -0.17 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.00 1wgx s THR 67 CO 0.07 0.00 1.08 -0.44 -2.21 0.00 0.00 174.62 173.12 1wgx s SER 68 N 0.30 -0.32 0.00 8.08 0.01 -1.26 -5.12 113.70 115.39 1wgx s SER 68 Ca 0.03 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1wgx s SER 68 Cb -0.04 1.21 0.00 0.00 0.21 0.00 0.00 66.02 67.39 1wgx s SER 68 CO -0.13 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1wgx n GLY 69 N 5.11 0.19 0.17 3.44 0.00 -1.26 -5.06 105.19 107.79 1wgx n GLY 69 Ca 0.08 0.46 -0.18 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 0.55 0.00 1.61 0.13 -2.08 -3.46 132.00 128.75 1wgx h PRO 70 Ca 0.00 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1wgx h PRO 70 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1wgx h PRO 70 CO 0.00 1.17 0.00 0.45 -0.23 0.00 0.00 178.00 179.39 1wgx n SER 71 N -4.10 0.00 -3.96 1.44 2.88 -1.26 -4.62 113.62 104.01 1wgx n SER 71 Ca -0.10 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.31 1wgx n SER 71 Cb 0.72 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.04 1wgx n SER 71 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgx s SER 72 N 0.00 0.44 0.00 -3.46 0.15 -1.26 -5.36 113.70 104.22 1wgx s SER 72 Ca 0.00 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1wgx s SER 72 Cb 0.00 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1wgx s SER 72 CO 0.00 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.00