#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyv s SER 2 N 0.00 -0.06 0.20 0.00 0.15 -1.26 -4.98 113.70 107.74 1pyv s SER 2 Ca 0.00 0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.61 1pyv s SER 2 Cb 0.00 0.98 0.20 0.00 -1.71 0.00 0.00 66.02 65.49 1pyv s SER 2 CO 0.00 -0.02 1.64 -0.09 1.20 0.00 0.00 173.24 175.98 1pyv h ARG 3 N 5.03 0.02 -0.93 5.44 1.12 -2.04 0.36 114.38 123.37 1pyv h ARG 3 Ca -0.26 -0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.62 1pyv h ARG 3 Cb 1.16 -0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 31.07 1pyv h ARG 3 CO 0.23 0.01 0.62 -0.09 -3.11 0.00 0.00 179.97 177.63 1pyv h ARG 4 N 0.02 1.22 0.14 0.20 2.43 -1.99 -1.08 114.38 115.32 1pyv h ARG 4 Ca 0.27 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1pyv h ARG 4 Cb 0.42 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1pyv h ARG 4 CO -0.56 0.81 -0.07 1.25 -1.51 0.00 0.00 179.97 179.88 1pyv h LEU 5 N 1.25 -0.16 -0.65 3.80 5.85 -0.95 -0.36 115.31 124.10 1pyv h LEU 5 Ca 0.34 -0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.10 1pyv h LEU 5 Cb -0.13 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 40.85 1pyv h LEU 5 CO -0.08 -0.02 0.20 0.25 -0.34 0.00 0.00 178.44 178.46 1pyv h LEU 6 N -0.29 0.14 0.57 2.25 7.12 -0.01 0.08 115.31 125.17 1pyv h LEU 6 Ca -0.02 0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.07 1pyv h LEU 6 Cb 0.23 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1pyv h LEU 6 CO 0.03 0.07 -0.43 0.00 -0.13 0.00 0.00 178.44 177.98 1pyv h ALA 7 N 1.48 -1.03 -0.32 1.25 0.00 -0.86 0.94 119.26 120.72 1pyv h ALA 7 Ca 0.34 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1pyv h ALA 7 Cb 0.49 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pyv h ALA 7 CO -0.38 -1.11 0.53 1.03 0.00 0.00 0.00 179.25 179.32 1pyv h SER 8 N -0.98 0.00 0.80 0.00 0.87 -0.18 1.69 113.55 115.75 1pyv h SER 8 Ca -0.07 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.25 1pyv h SER 8 Cb 0.82 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1pyv h SER 8 CO 0.01 0.00 -1.19 -0.07 -0.53 0.00 0.00 176.83 175.06 1pyv h LEU 9 N 0.00 0.14 0.05 2.23 -0.00 0.96 -2.66 115.31 116.03 1pyv h LEU 9 Ca 0.15 -0.16 -0.09 0.00 -0.00 0.00 0.00 57.88 57.78 1pyv h LEU 9 Cb 1.20 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1pyv h LEU 9 CO -0.00 1.13 -0.40 0.25 -0.00 0.00 0.00 178.44 179.42 1pyv h LEU 10 N 0.02 0.17 -0.21 1.67 7.12 0.44 -3.22 115.31 121.31 1pyv h LEU 10 Ca -0.09 -0.95 0.05 0.00 0.13 0.00 0.00 57.88 57.02 1pyv h LEU 10 Cb 1.87 -0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 41.90 1pyv h LEU 10 CO 0.15 1.18 -0.10 0.03 -0.13 0.00 0.00 178.44 179.57 1pyv h ARG 11 N -0.77 -0.07 -0.84 1.25 3.08 0.41 0.56 114.38 118.00 1pyv h ARG 11 Ca -0.08 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.16 1pyv h ARG 11 Cb 1.26 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 31.21 1pyv h ARG 11 CO 0.04 -0.05 0.34 0.37 -1.07 0.00 0.00 179.97 179.60 1pyv h GLN 12 N -0.08 0.39 0.00 0.04 5.75 -1.60 0.56 115.11 120.17 1pyv h GLN 12 Ca 0.11 -0.02 -0.15 0.00 -0.15 0.00 0.00 58.65 58.43 1pyv h GLN 12 Cb 0.24 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1pyv h GLN 12 CO -0.26 0.26 -0.73 0.77 -2.65 0.00 0.00 178.83 176.22 1pyv h SER 13 N 0.40 0.00 -0.14 -0.69 0.02 -1.24 -0.80 113.55 111.10 1pyv h SER 13 Ca 0.50 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.42 1pyv h SER 13 Cb 0.88 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1pyv h SER 13 CO -0.49 0.73 0.01 0.00 -1.14 0.00 0.00 176.83 175.94 1pyv h ALA 14 N 1.27 1.58 0.00 3.77 0.00 0.52 -1.87 119.26 124.53 1pyv h ALA 14 Ca -0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1pyv h ALA 14 Cb 1.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1pyv h ALA 14 CO 0.10 0.31 -0.62 1.96 0.00 0.00 0.00 179.25 180.99 1pyv h GLN 15 N 0.34 0.00 -0.97 0.00 4.20 -0.79 -3.35 115.11 114.55 1pyv h GLN 15 Ca 0.08 0.00 0.32 0.00 0.06 0.00 0.00 58.65 59.10 1pyv h GLN 15 Cb 0.22 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.84 1pyv h GLN 15 CO 0.00 0.85 0.40 -0.09 -0.67 0.00 0.00 178.83 179.33 1pyv h ARG 16 N -1.00 0.17 0.00 1.46 2.43 -1.06 -3.44 114.38 112.95 1pyv h ARG 16 Ca -0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1pyv h ARG 16 Cb 1.03 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1pyv h ARG 16 CO -0.10 0.11 0.00 0.41 -1.51 0.00 0.00 179.97 178.89 1pyv n GLY 17 N -1.33 1.39 0.34 2.80 0.00 -0.71 -4.51 105.19 103.17 1pyv n GLY 17 Ca 0.29 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 1pyv n GLY 17 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pyv h GLY 18 N 0.00 -0.86 -3.07 -0.02 0.00 -1.85 -3.50 103.07 93.77 1pyv h GLY 18 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1pyv h GLY 18 CO 0.00 -0.31 -0.04 0.61 0.00 0.00 0.00 176.54 176.80 1pyv n GLY 19 N -0.36 -2.89 0.08 4.60 0.00 -1.26 -4.94 105.19 100.42 1pyv n GLY 19 Ca -0.10 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1pyv n GLY 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pyv h LEU 20 N 0.11 -0.04 -2.17 0.99 6.46 -1.97 -3.21 115.31 115.48 1pyv h LEU 20 Ca -0.00 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1pyv h LEU 20 Cb 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1pyv h LEU 20 CO 0.00 0.66 0.15 0.40 -0.62 0.00 0.00 178.44 179.04 1pyv h ILE 21 N -0.97 0.00 0.15 4.05 5.03 -1.94 0.83 117.51 124.65 1pyv h ILE 21 Ca -0.01 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.75 1pyv h ILE 21 Cb 0.51 0.72 -0.04 0.00 -3.03 0.00 0.00 36.82 34.98 1pyv h ILE 21 CO 0.01 0.00 -0.42 0.77 -0.68 0.00 0.00 178.15 177.83 1pyv h SER 22 N 0.00 -1.24 0.00 1.72 4.64 -1.88 -3.09 113.55 113.71 1pyv h SER 22 Ca 0.00 0.13 -0.33 0.00 -0.47 0.00 0.00 61.79 61.12 1pyv h SER 22 Cb 0.31 0.46 -0.06 0.00 -0.31 0.00 0.00 62.40 62.79 1pyv h SER 22 CO 0.00 -0.50 -2.25 -2.11 -0.87 0.00 0.00 176.83 171.10 1pyv n ARG 23 N -5.47 0.91 0.00 4.77 1.85 -0.79 -4.33 116.66 113.61 1pyv n ARG 23 Ca -0.08 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 1pyv n ARG 23 Cb 0.38 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.33 1pyv n ARG 23 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1pyv n SER 24 N -2.82 0.00 -2.61 2.89 2.88 0.28 -2.33 113.62 111.91 1pyv n SER 24 Ca -0.33 0.16 -0.25 0.00 -1.33 0.00 0.00 58.87 57.12 1pyv n SER 24 Cb 1.04 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.39 1pyv n SER 24 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1pyv n LEU 25 N -0.21 6.88 0.00 2.46 -0.00 -1.17 -3.37 117.00 121.60 1pyv n LEU 25 Ca 0.00 -3.74 0.00 0.00 -0.00 0.00 0.00 56.01 52.27 1pyv n LEU 25 Cb 0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 41.94 1pyv n LEU 25 CO 0.00 1.88 0.00 0.61 -0.00 0.00 0.00 177.39 179.88 1pyv n GLY 26 N 2.97 -0.00 0.51 -3.96 0.00 -1.17 -4.81 105.19 98.73 1pyv n GLY 26 Ca 0.60 -0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.91 1pyv n GLY 26 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1pyv h ASN 27 N 0.00 0.00 -1.61 1.61 -0.73 -1.47 1.06 115.58 114.45 1pyv h ASN 27 Ca 0.00 0.00 -0.65 0.00 1.87 0.00 0.00 56.30 57.52 1pyv h ASN 27 Cb 0.00 0.00 -0.37 0.00 0.27 0.00 0.00 38.32 38.22 1pyv h ASN 27 CO 0.00 0.00 -0.07 -1.54 -0.37 0.00 0.00 177.43 175.45 1pyv n SER 28 N -3.58 5.80 -0.03 1.15 3.41 -1.26 -4.72 113.62 114.38 1pyv n SER 28 Ca 0.21 -3.77 -0.10 0.00 -0.26 0.00 0.00 58.87 54.96 1pyv n SER 28 Cb 1.27 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 64.46 1pyv n SER 28 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1pyv h ILE 29 N 2.29 1.07 0.00 -1.33 2.04 0.87 -2.30 117.51 120.16 1pyv h ILE 29 Ca 0.41 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1pyv h ILE 29 Cb 0.66 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1pyv h ILE 29 CO 1.07 0.34 0.00 -0.81 0.00 0.00 0.00 178.15 178.75 1pyv n PRO 30 N -4.75 0.02 0.00 2.37 -0.04 -1.26 -2.39 135.00 128.95 1pyv n PRO 30 Ca -0.07 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1pyv n PRO 30 Cb 0.29 -1.53 0.67 0.00 -0.04 0.00 0.00 33.50 32.90 1pyv n PRO 30 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1pyv n LYS 31 N -1.56 0.94 -2.42 0.54 4.81 -1.24 -4.84 118.16 114.39 1pyv n LYS 31 Ca 0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.40 1pyv n LYS 31 Cb 0.26 -1.38 0.01 0.00 0.02 0.00 0.00 35.03 33.94 1pyv n LYS 31 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1pyv n SER 32 N -0.88 -3.37 -2.17 3.14 7.64 -1.00 -2.42 113.62 114.56 1pyv n SER 32 Ca 0.17 -0.08 -0.15 0.00 1.01 0.00 0.00 58.87 59.82 1pyv n SER 32 Cb 0.08 -2.43 -0.02 0.00 -1.01 0.00 0.00 64.21 60.83 1pyv n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pyv n ALA 33 N -2.11 -0.60 -0.51 -0.43 0.00 -0.86 -4.75 120.51 111.24 1pyv n ALA 33 Ca -0.07 0.15 0.42 0.00 0.00 0.00 0.00 53.44 53.94 1pyv n ALA 33 Cb 0.56 -1.65 0.69 0.00 0.00 0.00 0.00 19.45 19.05 1pyv n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pyv n SER 34 N -1.56 0.17 -3.50 0.00 2.88 -1.01 -0.04 113.62 110.56 1pyv n SER 34 Ca -0.17 1.29 -0.35 0.00 -1.33 0.00 0.00 58.87 58.32 1pyv n SER 34 Cb 0.59 -0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 63.40 1pyv n SER 34 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pyv n ARG 35 N -4.53 3.96 0.00 -1.46 1.74 -1.26 -4.85 116.66 110.25 1pyv n ARG 35 Ca 0.40 -4.70 0.00 0.00 -0.77 0.00 0.00 57.85 52.79 1pyv n ARG 35 Cb 1.62 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 1pyv n ARG 35 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pyv n ALA 36 N 0.44 0.00 -3.09 7.54 0.00 0.94 -5.01 120.51 121.33 1pyv n ALA 36 Ca 0.34 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.56 1pyv n ALA 36 Cb 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.64 1pyv n ALA 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pyv s SER 37 N 0.00 1.47 0.00 0.00 1.04 -1.26 -4.41 113.70 110.54 1pyv s SER 37 Ca 0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1pyv s SER 37 Cb 0.00 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1pyv s SER 37 CO 0.00 0.07 0.00 -0.24 0.98 0.00 0.00 173.24 174.05 1pyv n SER 38 N 3.36 0.00 0.11 7.02 2.88 -1.26 -4.48 113.62 121.25 1pyv n SER 38 Ca -0.19 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.34 1pyv n SER 38 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1pyv n SER 38 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1pyv h ARG 39 N 0.00 0.00 -0.56 -1.46 -0.00 -2.02 -3.07 114.38 107.27 1pyv h ARG 39 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1pyv h ARG 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1pyv h ARG 39 CO 0.00 0.67 0.00 0.00 0.00 0.00 0.00 179.97 180.64 1pyv n ALA 40 N -2.28 2.66 -0.07 0.04 0.00 -1.26 -3.87 120.51 115.72 1pyv n ALA 40 Ca 0.01 -0.99 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 1pyv n ALA 40 Cb 0.82 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 19.17 1pyv n ALA 40 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1pyv h SER 41 N 2.92 0.00 0.44 0.00 0.02 -1.86 0.32 113.55 115.38 1pyv h SER 41 Ca 0.00 -0.78 -0.20 0.00 -0.84 0.00 0.00 61.79 59.98 1pyv h SER 41 Cb 0.87 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1pyv h SER 41 CO 0.08 1.02 -0.83 1.55 -1.14 0.00 0.00 176.83 177.50 1pyv h PRO 42 N -1.00 0.29 0.13 3.45 0.13 -1.73 -3.27 132.00 130.00 1pyv h PRO 42 Ca -0.06 -0.29 -0.32 0.00 -0.87 0.00 0.00 66.00 64.46 1pyv h PRO 42 Cb 0.93 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1pyv h PRO 42 CO -0.04 0.97 -1.64 0.87 -0.23 0.00 0.00 178.00 177.93 1pyv h LYS 43 N 0.18 0.27 -0.90 0.86 1.57 -1.72 -3.37 116.57 113.45 1pyv h LYS 43 Ca -0.05 -0.47 0.11 0.00 -1.87 0.00 0.00 60.65 58.38 1pyv h LYS 43 Cb 1.44 0.17 -0.13 0.00 0.08 0.00 0.00 32.23 33.79 1pyv h LYS 43 CO 0.13 1.14 -0.43 0.41 -0.57 0.00 0.00 179.45 180.13 1pyv n GLY 44 N 1.74 -2.08 0.38 3.86 0.00 0.11 0.19 105.19 109.39 1pyv n GLY 44 Ca -0.20 1.04 0.27 0.00 0.00 0.00 0.00 46.02 47.13 1pyv n GLY 44 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pyv h PHE 45 N 0.00 0.79 0.03 1.61 3.04 -1.72 1.94 116.94 122.63 1pyv h PHE 45 Ca 0.24 0.03 -0.22 0.00 3.98 0.00 0.00 57.97 62.00 1pyv h PHE 45 Cb 0.47 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 1pyv h PHE 45 CO -0.85 -0.14 -1.01 1.25 -2.02 0.00 0.00 178.31 175.53 1pyv h LEU 46 N 0.28 0.13 -0.38 0.59 5.85 0.19 -2.96 115.31 119.00 1pyv h LEU 46 Ca 0.73 -0.13 -0.18 0.00 0.84 0.00 0.00 57.88 59.14 1pyv h LEU 46 Cb 1.86 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 1pyv h LEU 46 CO -0.51 1.06 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.91 1pyv h LEU 47 N 0.03 0.67 -1.10 2.25 -0.00 0.55 -2.49 115.31 115.23 1pyv h LEU 47 Ca -0.04 -0.41 -0.03 0.00 -0.00 0.00 0.00 57.88 57.40 1pyv h LEU 47 Cb 1.74 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 42.17 1pyv h LEU 47 CO 0.14 1.15 0.24 0.78 -0.00 0.00 0.00 178.44 180.76 1pyv h ASN 48 N 0.42 0.80 0.24 -0.43 4.21 0.23 -1.56 115.58 119.49 1pyv h ASN 48 Ca -0.02 -0.10 -0.10 0.00 1.21 0.00 0.00 56.30 57.28 1pyv h ASN 48 Cb 1.24 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 38.22 1pyv h ASN 48 CO 0.13 0.72 -0.41 0.03 -1.29 0.00 0.00 177.43 176.61 1pyv h ARG 49 N 0.86 0.22 -0.55 0.81 -0.00 -1.36 -0.56 114.38 113.81 1pyv h ARG 49 Ca 0.21 -0.10 0.03 0.00 -0.50 0.00 0.00 59.98 59.61 1pyv h ARG 49 Cb 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.11 1pyv h ARG 49 CO -0.02 0.60 0.36 0.00 0.00 0.00 0.00 179.97 180.91 1pyv h ALA 50 N 1.39 1.70 0.00 0.04 0.00 -0.82 -0.23 119.26 121.34 1pyv h ALA 50 Ca 0.02 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1pyv h ALA 50 Cb 0.80 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1pyv h ALA 50 CO 0.06 0.24 -1.30 -0.24 0.00 0.00 0.00 179.25 178.02 1pyv h VAL 51 N 0.65 1.18 -0.15 0.00 3.04 -1.25 -3.33 116.25 116.39 1pyv h VAL 51 Ca 0.22 -2.91 0.00 0.00 -1.01 0.00 0.00 66.70 63.00 1pyv h VAL 51 Cb 0.06 2.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 1pyv h VAL 51 CO -0.06 0.67 0.10 -0.61 -1.01 0.00 0.00 177.57 176.67 1pyv h GLN 52 N 0.00 0.19 -0.01 4.17 4.15 0.36 -3.52 115.11 120.46 1pyv h GLN 52 Ca -0.14 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1pyv h GLN 52 Cb 1.83 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.48 1pyv h GLN 52 CO 0.10 0.13 0.00 0.66 -1.93 0.00 0.00 178.83 177.78