#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgl s SER 2 N 0.00 5.64 0.16 1.61 1.04 -1.26 -4.96 113.70 115.93 1wgl s SER 2 Ca 0.00 1.47 -0.27 0.00 0.48 0.00 0.00 55.95 57.63 1wgl s SER 2 Cb 0.00 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.73 1wgl s SER 2 CO 0.00 -1.26 1.57 -1.28 0.98 0.00 0.00 173.24 173.26 1wgl h SER 3 N -0.59 -1.44 0.00 7.02 0.87 -2.10 -3.44 113.55 113.87 1wgl h SER 3 Ca -0.44 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1wgl h SER 3 Cb 1.21 0.63 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 1wgl h SER 3 CO 0.60 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.15 1wgl n GLY 4 N -1.41 2.90 2.97 5.77 0.00 -1.26 -3.70 105.19 110.46 1wgl n GLY 4 Ca -0.00 0.30 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1wgl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgl s SER 5 N -4.00 4.49 -0.21 1.61 0.01 -1.26 -5.07 113.70 109.26 1wgl s SER 5 Ca 0.00 -2.56 -0.04 0.00 1.31 0.00 0.00 55.95 54.65 1wgl s SER 5 Cb 0.00 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 1wgl s SER 5 CO 0.00 -0.31 -0.02 -0.44 0.41 0.00 0.00 173.24 172.88 1wgl s SER 6 N 0.34 4.54 0.00 2.44 0.01 -1.24 -5.04 113.70 114.75 1wgl s SER 6 Ca 0.14 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1wgl s SER 6 Cb -0.22 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1wgl s SER 6 CO -0.04 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1wgl n GLY 7 N 4.59 0.44 3.19 3.44 0.00 -1.26 -5.09 105.19 110.51 1wgl n GLY 7 Ca -0.18 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1wgl n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgl s SER 9 N -1.83 -0.46 0.13 0.00 0.01 -1.26 -5.04 113.70 105.26 1wgl s SER 9 Ca 0.50 0.41 0.17 0.00 1.31 0.00 0.00 55.95 58.34 1wgl s SER 9 Cb -0.08 0.40 -0.07 0.00 0.21 0.00 0.00 66.02 66.47 1wgl s SER 9 CO 0.59 -0.49 1.01 -0.08 0.41 0.00 0.00 173.24 174.68 1wgl h GLU 10 N 2.57 0.00 0.22 12.44 4.81 -1.99 -3.17 114.58 129.47 1wgl h GLU 10 Ca -0.22 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1wgl h GLU 10 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1wgl h GLU 10 CO 0.34 0.33 -0.11 1.49 -0.73 0.00 0.00 179.01 180.33 1wgl h GLU 11 N 0.00 -0.29 -0.65 1.92 4.22 -1.99 -1.36 114.58 116.43 1wgl h GLU 11 Ca -0.11 0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.42 1wgl h GLU 11 Cb 1.49 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.75 1wgl h GLU 11 CO 0.05 0.09 0.34 -0.44 -2.18 0.00 0.00 179.01 176.87 1wgl h ASP 12 N -0.84 0.49 0.00 1.04 3.32 -1.98 -0.46 116.42 117.99 1wgl h ASP 12 Ca -0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1wgl h ASP 12 Cb 0.51 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1wgl h ASP 12 CO 0.05 0.31 0.00 -0.11 -1.72 0.00 0.00 179.24 177.77 1wgl n LEU 13 N -4.83 0.00 -0.44 1.55 0.00 -1.20 -1.16 117.00 110.93 1wgl n LEU 13 Ca 0.08 0.96 0.38 0.00 0.00 0.00 0.00 56.01 57.43 1wgl n LEU 13 Cb 0.20 -0.46 0.65 0.00 0.00 0.00 0.00 43.42 43.81 1wgl n LEU 13 CO 0.28 -0.46 1.17 0.29 0.00 0.00 0.00 177.39 178.67 1wgl n LYS 14 N -2.02 -0.04 0.51 1.96 4.01 -0.52 0.10 118.16 122.17 1wgl n LYS 14 Ca 0.00 1.25 -0.21 0.00 -0.51 0.00 0.00 58.31 58.84 1wgl n LYS 14 Cb 0.00 -2.42 -0.10 0.00 -0.51 0.00 0.00 35.03 32.00 1wgl n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wgl h ALA 15 N 1.62 -1.34 -0.35 7.82 0.00 -0.34 -1.40 119.26 125.28 1wgl h ALA 15 Ca 0.86 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.55 1wgl h ALA 15 Cb 2.69 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 20.96 1wgl h ALA 15 CO -0.50 -1.25 -0.01 0.82 0.00 0.00 0.00 179.25 178.30 1wgl h ILE 16 N -1.32 0.72 -0.75 0.00 2.04 0.23 -1.66 117.51 116.77 1wgl h ILE 16 Ca -0.13 -0.03 0.14 0.00 1.00 0.00 0.00 64.86 65.84 1wgl h ILE 16 Cb 1.02 0.63 -0.14 0.00 -0.74 0.00 0.00 36.82 37.60 1wgl h ILE 16 CO 0.20 0.02 -0.27 1.56 0.00 0.00 0.00 178.15 179.66 1wgl h GLN 17 N 0.08 -0.05 -0.70 2.37 1.08 -0.56 0.82 115.11 118.15 1wgl h GLN 17 Ca 0.17 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.51 1wgl h GLN 17 Cb 0.24 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.59 1wgl h GLN 17 CO -0.30 -0.04 0.24 0.22 -0.95 0.00 0.00 178.83 178.01 1wgl h ASP 18 N -0.05 0.18 -0.30 1.46 1.82 -0.30 0.48 116.42 119.71 1wgl h ASP 18 Ca 0.33 0.11 -0.10 0.00 -0.39 0.00 0.00 57.03 56.97 1wgl h ASP 18 Cb 0.57 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.68 1wgl h ASP 18 CO -0.79 0.07 -0.17 0.24 -1.61 0.00 0.00 179.24 176.98 1wgl h MET 19 N 0.38 0.76 -2.43 0.28 2.86 0.64 -3.34 114.93 114.08 1wgl h MET 19 Ca 0.38 -0.28 -0.59 0.00 -2.06 0.00 0.00 59.70 57.15 1wgl h MET 19 Cb 0.57 -0.05 -0.40 0.00 0.06 0.00 0.00 31.60 31.77 1wgl h MET 19 CO -0.40 0.88 -0.79 1.19 1.06 0.00 0.00 176.91 178.84 1wgl n PHE 20 N -4.14 1.57 0.09 -0.22 3.72 0.20 -4.90 117.46 113.79 1wgl n PHE 20 Ca 0.01 -3.87 -0.06 0.00 -0.05 0.00 0.00 57.45 53.47 1wgl n PHE 20 Cb 0.40 -0.34 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1wgl n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1wgl h PRO 21 N 4.81 0.15 -0.14 -1.08 0.13 -0.31 -3.23 132.00 132.32 1wgl h PRO 21 Ca 0.17 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1wgl h PRO 21 Cb 0.79 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1wgl h PRO 21 CO 0.61 0.86 0.06 -2.95 -0.23 0.00 0.00 178.00 176.35 1wgl h ASN 22 N 0.09 0.19 -2.13 1.44 -1.07 -1.91 -3.44 115.58 108.75 1wgl h ASN 22 Ca -0.03 -0.16 -0.27 0.00 0.07 0.00 0.00 56.30 55.92 1wgl h ASN 22 Cb 1.38 -0.05 0.15 0.00 -2.07 0.00 0.00 38.32 37.74 1wgl h ASN 22 CO 0.12 0.29 -0.36 0.23 0.07 0.00 0.00 177.43 177.78 1wgl n MET 23 N -4.89 -2.52 -3.58 4.14 2.81 -1.22 -4.95 117.12 106.90 1wgl n MET 23 Ca -0.05 -0.74 -0.37 0.00 -1.81 0.00 0.00 57.70 54.72 1wgl n MET 23 Cb 0.11 -1.56 -0.06 0.00 -0.71 0.00 0.00 33.22 31.00 1wgl n MET 23 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1wgl s ASP 24 N -2.10 6.57 0.06 7.83 2.15 -1.26 -5.01 116.67 124.90 1wgl s ASP 24 Ca 0.42 0.67 -0.35 0.00 0.43 0.00 0.00 52.55 53.72 1wgl s ASP 24 Cb -0.08 -2.19 -0.20 0.00 -0.30 0.00 0.00 42.92 40.16 1wgl s ASP 24 CO 0.40 0.23 1.54 1.56 -0.17 0.00 0.00 175.17 178.74 1wgl h GLN 25 N 5.67 -1.14 -1.15 4.34 4.20 -1.91 0.97 115.11 126.08 1wgl h GLN 25 Ca -0.47 0.08 0.33 0.00 0.06 0.00 0.00 58.65 58.65 1wgl h GLN 25 Cb 1.20 0.26 -0.05 0.00 0.30 0.00 0.00 27.48 29.19 1wgl h GLN 25 CO 0.67 -0.76 0.98 1.49 -0.67 0.00 0.00 178.83 180.55 1wgl h GLU 26 N -1.22 0.00 0.00 1.46 4.81 -1.97 0.61 114.58 118.27 1wgl h GLU 26 Ca -0.12 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1wgl h GLU 26 Cb 0.91 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1wgl h GLU 26 CO 0.20 0.00 -0.05 0.28 -0.73 0.00 0.00 179.01 178.71 1wgl h VAL 27 N 0.00 1.49 -0.58 0.32 2.07 -1.78 -1.32 116.25 116.44 1wgl h VAL 27 Ca 0.55 -2.13 0.15 0.00 0.82 0.00 0.00 66.70 66.09 1wgl h VAL 27 Cb 2.51 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 35.08 1wgl h VAL 27 CO -0.01 0.50 0.41 0.40 0.02 0.00 0.00 177.57 178.90 1wgl h ILE 28 N -1.00 0.75 0.00 4.57 2.04 0.25 0.53 117.51 124.65 1wgl h ILE 28 Ca -0.01 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 1wgl h ILE 28 Cb 0.86 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1wgl h ILE 28 CO -0.01 0.02 -0.86 -0.09 0.00 0.00 0.00 178.15 177.21 1wgl h ARG 29 N 0.10 0.00 0.00 2.37 2.43 -0.37 -2.80 114.38 116.12 1wgl h ARG 29 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1wgl h ARG 29 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1wgl h ARG 29 CO -0.03 0.38 0.00 1.03 -1.51 0.00 0.00 179.97 179.84 1wgl h SER 30 N 0.00 0.00 0.00 -3.80 0.87 0.12 -2.23 113.55 108.51 1wgl h SER 30 Ca -0.06 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.23 1wgl h SER 30 Cb 1.43 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.35 1wgl h SER 30 CO 0.05 0.00 -1.54 0.52 -0.53 0.00 0.00 176.83 175.34 1wgl n VAL 31 N -2.47 1.52 -0.35 2.23 0.31 -0.40 -2.98 118.33 116.20 1wgl n VAL 31 Ca 0.03 -0.09 0.11 0.00 -0.01 0.00 0.00 64.34 64.38 1wgl n VAL 31 Cb 0.34 -2.05 0.30 0.00 -0.91 0.00 0.00 33.84 31.52 1wgl n VAL 31 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1wgl h LEU 32 N -1.00 0.82 -0.45 7.52 5.85 -1.53 1.54 115.31 128.07 1wgl h LEU 32 Ca -0.40 0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.22 1wgl h LEU 32 Cb 1.29 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1wgl h LEU 32 CO -0.24 0.37 -0.66 -0.33 -0.34 0.00 0.00 178.44 177.24 1wgl h GLU 33 N 0.84 0.48 -0.00 1.25 4.39 -1.58 0.79 114.58 120.75 1wgl h GLU 33 Ca 0.53 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1wgl h GLU 33 Cb 0.73 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1wgl h GLU 33 CO -0.31 0.97 -0.08 0.00 -1.16 0.00 0.00 179.01 178.43 1wgl n ALA 34 N -2.52 2.63 -1.74 3.43 0.00 0.63 -3.44 120.51 119.50 1wgl n ALA 34 Ca -0.04 -0.19 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 1wgl n ALA 34 Cb 0.66 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.76 1wgl n ALA 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wgl n GLN 35 N -1.26 3.13 -2.02 0.00 1.13 0.50 -4.88 117.38 113.99 1wgl n GLN 35 Ca 0.12 -3.76 -0.04 0.00 -1.94 0.00 0.00 57.00 51.38 1wgl n GLN 35 Cb 0.28 -2.28 -0.01 0.00 0.11 0.00 0.00 30.24 28.34 1wgl n GLN 35 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1wgl n ARG 36 N -0.78 -2.17 -2.55 -1.09 1.74 -1.22 0.13 116.66 110.72 1wgl n ARG 36 Ca 0.53 0.23 -0.05 0.00 -0.77 0.00 0.00 57.85 57.79 1wgl n ARG 36 Cb 0.76 -4.61 0.02 0.00 -1.02 0.00 0.00 32.46 27.61 1wgl n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wgl n GLY 37 N -0.43 0.38 3.74 -0.13 0.00 0.27 -4.46 105.19 104.56 1wgl n GLY 37 Ca -0.05 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1wgl n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wgl s ASN 38 N -3.23 5.48 -0.16 1.61 3.84 0.35 -4.80 114.94 118.02 1wgl s ASN 38 Ca 0.07 0.14 -0.12 0.00 0.21 0.00 0.00 52.86 53.15 1wgl s ASN 38 Cb -0.03 -1.56 -0.07 0.00 -0.55 0.00 0.00 41.25 39.05 1wgl s ASN 38 CO 0.19 0.32 -0.13 1.17 -2.79 0.00 0.00 177.10 175.86 1wgl n LYS 39 N 1.61 0.48 0.05 0.43 4.81 -1.26 -2.95 118.16 121.34 1wgl n LYS 39 Ca -0.16 0.50 -0.11 0.00 -0.87 0.00 0.00 58.31 57.68 1wgl n LYS 39 Cb 0.53 -1.68 -0.04 0.00 0.02 0.00 0.00 35.03 33.86 1wgl n LYS 39 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1wgl h ASP 40 N -1.00 -0.59 -0.66 3.14 5.19 -1.98 1.33 116.42 121.85 1wgl h ASP 40 Ca -0.09 0.09 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 1wgl h ASP 40 Cb 0.73 0.25 -0.06 0.00 0.18 0.00 0.00 39.33 40.43 1wgl h ASP 40 CO -0.05 -0.26 0.37 0.00 -3.12 0.00 0.00 179.24 176.17 1wgl h ALA 41 N 0.60 0.89 -0.13 3.45 0.00 -1.95 0.28 119.26 122.40 1wgl h ALA 41 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wgl h ALA 41 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1wgl h ALA 41 CO -0.20 0.04 0.06 0.00 0.00 0.00 0.00 179.25 179.15 1wgl h ALA 42 N 1.35 0.17 -0.63 0.00 0.00 -1.16 0.06 119.26 119.04 1wgl h ALA 42 Ca 0.30 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1wgl h ALA 42 Cb 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1wgl h ALA 42 CO -0.19 -0.26 0.30 0.82 0.00 0.00 0.00 179.25 179.92 1wgl h ILE 43 N 0.08 0.86 0.47 0.00 2.04 0.26 0.18 117.51 121.39 1wgl h ILE 43 Ca 0.04 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1wgl h ILE 43 Cb 0.14 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1wgl h ILE 43 CO -0.00 0.10 -0.29 -1.13 0.00 0.00 0.00 178.15 176.83 1wgl h ASN 44 N 0.53 -0.71 -0.37 1.72 -1.24 -0.10 0.57 115.58 115.98 1wgl h ASN 44 Ca 0.31 0.04 0.08 0.00 0.71 0.00 0.00 56.30 57.44 1wgl h ASN 44 Cb 0.30 0.21 -0.08 0.00 0.73 0.00 0.00 38.32 39.48 1wgl h ASN 44 CO -0.25 -0.45 -0.23 0.28 -1.29 0.00 0.00 177.43 175.49 1wgl h SER 45 N -0.72 -0.76 0.45 1.15 0.02 -0.32 0.18 113.55 113.56 1wgl h SER 45 Ca -0.05 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1wgl h SER 45 Cb 0.59 0.39 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1wgl h SER 45 CO 0.06 -0.25 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.08 1wgl h LEU 46 N -0.17 -0.89 -0.66 5.07 3.38 -0.41 0.86 115.31 122.49 1wgl h LEU 46 Ca 0.18 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.28 1wgl h LEU 46 Cb 0.45 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 1wgl h LEU 46 CO -0.47 -0.51 -0.57 -0.07 0.09 0.00 0.00 178.44 176.91 1wgl h LEU 47 N -0.78 -1.98 0.80 1.67 3.38 0.96 -1.99 115.31 117.37 1wgl h LEU 47 Ca -0.05 0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1wgl h LEU 47 Cb 0.67 0.84 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 1wgl h LEU 47 CO 0.01 -0.33 -0.48 1.56 0.09 0.00 0.00 178.44 179.29 1wgl h GLN 48 N -0.22 -1.15 -6.05 1.13 7.50 -0.45 -3.44 115.11 112.43 1wgl h GLN 48 Ca 0.11 0.08 -0.65 0.00 0.50 0.00 0.00 58.65 58.69 1wgl h GLN 48 Cb 0.51 0.26 0.13 0.00 0.05 0.00 0.00 27.48 28.43 1wgl h GLN 48 CO -0.74 -0.76 -0.61 -1.33 -1.50 0.00 0.00 178.83 173.89 1wgl n MET 49 N -5.48 0.12 -2.43 1.46 2.81 0.30 -4.12 117.12 109.78 1wgl n MET 49 Ca -0.15 0.04 -0.03 0.00 -1.81 0.00 0.00 57.70 55.76 1wgl n MET 49 Cb 0.49 -1.08 -0.02 0.00 -0.71 0.00 0.00 33.22 31.89 1wgl n MET 49 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wgl n GLY 50 N 2.04 -4.55 3.53 3.03 0.00 -1.26 -4.85 105.19 103.13 1wgl n GLY 50 Ca 0.15 0.99 -0.42 0.00 0.00 0.00 0.00 46.02 46.74 1wgl n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgl s GLU 51 N -0.98 3.47 0.19 1.61 0.41 -1.26 -4.99 118.70 117.15 1wgl s GLU 51 Ca -0.14 -1.00 -0.05 0.00 -0.41 0.00 0.00 54.97 53.37 1wgl s GLU 51 Cb 0.01 -4.95 -0.06 0.00 -1.78 0.00 0.00 34.13 27.35 1wgl s GLU 51 CO 0.65 -2.10 0.45 -1.83 -0.49 0.00 0.00 175.26 171.93 1wgl s GLU 52 N 4.75 3.65 -1.19 1.61 1.03 -1.26 -4.97 118.70 122.31 1wgl s GLU 52 Ca 0.40 -0.03 -0.11 0.00 0.03 0.00 0.00 54.97 55.27 1wgl s GLU 52 Cb -0.04 -2.77 -0.07 0.00 -0.80 0.00 0.00 34.13 30.46 1wgl s GLU 52 CO -0.03 0.38 2.36 -0.35 -1.33 0.00 0.00 175.26 176.30 1wgl n PRO 53 N -0.23 2.61 -3.53 -4.83 -0.04 -1.26 -4.66 135.00 123.07 1wgl n PRO 53 Ca -0.02 -1.90 0.02 0.00 -0.04 0.00 0.00 63.50 61.56 1wgl n PRO 53 Cb 0.52 -2.74 -0.06 0.00 -0.04 0.00 0.00 33.50 31.19 1wgl n PRO 53 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgl s SER 54 N 3.23 -0.21 0.00 3.54 1.04 -1.26 -5.18 113.70 114.87 1wgl s SER 54 Ca 0.53 0.32 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1wgl s SER 54 Cb 0.14 1.14 0.00 0.00 0.10 0.00 0.00 66.02 67.40 1wgl s SER 54 CO -0.03 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1wgl n GLY 55 N 3.71 4.31 3.72 7.32 0.00 -1.26 -5.09 105.19 117.90 1wgl n GLY 55 Ca -0.14 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1wgl n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgl s PRO 56 N -3.27 4.48 0.35 1.61 0.04 -1.26 -4.82 135.00 132.13 1wgl s PRO 56 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1wgl s PRO 56 Cb 0.00 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1wgl s PRO 56 CO 0.00 -0.15 0.00 0.43 0.04 0.00 0.00 177.00 177.32 1wgl n SER 57 N 3.51 -6.33 0.24 6.66 7.64 -1.26 -4.56 113.62 119.54 1wgl n SER 57 Ca 0.07 0.74 -0.13 0.00 1.01 0.00 0.00 58.87 60.56 1wgl n SER 57 Cb 0.47 -3.82 -0.07 0.00 -1.01 0.00 0.00 64.21 59.78 1wgl n SER 57 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wgl h SER 58 N -1.28 -0.55 0.00 6.43 0.02 -2.02 -3.51 113.55 112.64 1wgl h SER 58 Ca -0.06 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1wgl h SER 58 Cb 1.28 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1wgl h SER 58 CO 0.03 -0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.17