#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 2.50 0.02 0.00 0.01 -1.26 -5.00 113.70 109.97 1pyv s SER 2 Ca 0.00 -1.05 -0.06 0.00 1.31 0.00 0.00 55.95 56.15 1pyv s SER 2 Cb 0.00 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 1pyv s SER 2 CO 0.00 -0.22 1.10 0.03 0.41 0.00 0.00 173.24 174.56 1pyv h ARG 3 N 2.54 -0.07 -1.03 12.44 3.08 -2.05 0.14 114.38 129.43 1pyv h ARG 3 Ca -0.38 0.00 0.26 0.00 0.07 0.00 0.00 59.98 59.94 1pyv h ARG 3 Cb 1.22 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 31.17 1pyv h ARG 3 CO 0.63 -0.05 0.64 -0.09 -1.07 0.00 0.00 179.97 180.03 1pyv h ARG 4 N -0.07 0.46 0.00 0.04 2.43 -1.97 -0.43 114.38 114.84 1pyv h ARG 4 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1pyv h ARG 4 Cb 0.10 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1pyv h ARG 4 CO -0.11 0.31 0.00 -0.11 -1.51 0.00 0.00 179.97 178.55 1pyv n LEU 5 N -4.77 0.00 -0.43 3.80 -0.00 0.31 0.19 117.00 116.10 1pyv n LEU 5 Ca 0.27 0.61 0.40 0.00 -0.00 0.00 0.00 56.01 57.29 1pyv n LEU 5 Cb 0.83 -0.11 0.70 0.00 -0.00 0.00 0.00 43.42 44.84 1pyv n LEU 5 CO 0.20 -0.11 1.37 0.17 -0.00 0.00 0.00 177.39 179.02 1pyv h LEU 6 N 0.00 0.00 0.36 -1.96 8.10 -0.70 0.83 115.31 121.94 1pyv h LEU 6 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1pyv h LEU 6 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1pyv h LEU 6 CO 0.00 0.00 -0.17 0.00 -4.11 0.00 0.00 178.44 174.16 1pyv h ALA 7 N 1.00 -0.48 0.00 0.17 0.00 -0.01 -2.54 119.26 117.41 1pyv h ALA 7 Ca 0.68 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1pyv h ALA 7 Cb 3.01 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 20.99 1pyv h ALA 7 CO -0.01 -0.49 -0.02 0.66 0.00 0.00 0.00 179.25 179.40 1pyv h SER 8 N -1.04 0.00 0.77 0.00 4.64 0.83 0.22 113.55 118.96 1pyv h SER 8 Ca -0.05 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.19 1pyv h SER 8 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1pyv h SER 8 CO 0.08 0.02 -0.40 0.25 -0.87 0.00 0.00 176.83 175.91 1pyv h LEU 9 N 0.00 0.00 0.09 5.97 7.12 0.19 -1.24 115.31 127.43 1pyv h LEU 9 Ca -0.00 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.79 1pyv h LEU 9 Cb 0.06 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1pyv h LEU 9 CO 0.00 0.40 -1.09 0.25 -0.13 0.00 0.00 178.44 177.87 1pyv h LEU 10 N 0.00 0.29 -1.35 2.25 7.12 -0.20 -2.92 115.31 120.50 1pyv h LEU 10 Ca -0.00 -0.84 0.04 0.00 0.13 0.00 0.00 57.88 57.21 1pyv h LEU 10 Cb 0.89 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.88 1pyv h LEU 10 CO 0.05 1.48 0.47 0.03 -0.13 0.00 0.00 178.44 180.34 1pyv h ARG 11 N -0.50 0.80 -0.05 1.25 3.08 -1.10 0.85 114.38 118.69 1pyv h ARG 11 Ca -0.24 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.61 1pyv h ARG 11 Cb 1.57 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 1pyv h ARG 11 CO 0.03 0.53 -0.66 0.37 -1.07 0.00 0.00 179.97 179.17 1pyv h GLN 12 N 0.82 0.23 0.05 0.04 5.75 -1.34 -0.72 115.11 119.94 1pyv h GLN 12 Ca 0.29 -0.17 -0.23 0.00 -0.15 0.00 0.00 58.65 58.39 1pyv h GLN 12 Cb 0.13 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1pyv h GLN 12 CO -0.09 0.80 -1.04 1.03 -2.65 0.00 0.00 178.83 176.88 1pyv h SER 13 N 0.16 0.31 -0.24 -0.69 0.87 -0.90 -1.90 113.55 111.17 1pyv h SER 13 Ca -0.01 -0.30 -0.12 0.00 -1.23 0.00 0.00 61.79 60.13 1pyv h SER 13 Cb 1.18 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1pyv h SER 13 CO 0.10 1.17 -0.34 0.00 -0.53 0.00 0.00 176.83 177.23 1pyv h ALA 14 N 0.80 0.36 0.00 6.23 0.00 0.74 -2.72 119.26 124.67 1pyv h ALA 14 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1pyv h ALA 14 Cb 1.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1pyv h ALA 14 CO 0.16 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1pyv n GLN 15 N -4.26 0.09 -0.06 0.00 10.64 -0.28 -3.07 117.38 120.43 1pyv n GLN 15 Ca -0.05 0.19 0.09 0.00 -1.83 0.00 0.00 57.00 55.41 1pyv n GLN 15 Cb 0.50 -1.63 0.47 0.00 -0.86 0.00 0.00 30.24 28.72 1pyv n GLN 15 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1pyv h ARG 16 N 0.00 0.45 0.00 2.61 9.65 -1.00 -3.45 114.38 122.64 1pyv h ARG 16 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1pyv h ARG 16 Cb 0.46 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1pyv h ARG 16 CO 0.00 0.30 0.00 0.41 2.80 0.00 0.00 179.97 183.48 1pyv n GLY 17 N -1.50 1.42 0.43 2.80 0.00 -1.17 -4.54 105.19 102.62 1pyv n GLY 17 Ca 0.08 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.11 0.00 -0.02 0.00 -1.87 -3.50 103.07 96.57 1pyv h GLY 18 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1pyv h GLY 18 CO 0.00 -0.40 0.00 0.61 0.00 0.00 0.00 176.54 176.75 1pyv n GLY 19 N -0.97 -0.63 2.32 4.60 0.00 -1.26 -4.98 105.19 104.27 1pyv n GLY 19 Ca -0.13 0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 1pyv n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pyv n LEU 20 N 0.00 -1.38 0.00 0.99 4.77 -1.26 -4.59 117.00 115.52 1pyv n LEU 20 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1pyv n LEU 20 Cb 0.00 -2.11 0.00 0.00 -2.33 0.00 0.00 43.42 38.98 1pyv n LEU 20 CO 0.00 -0.38 0.00 0.00 -1.33 0.00 0.00 177.39 175.68 1pyv n ILE 21 N -3.44 0.00 -0.36 -0.08 3.06 -1.26 -4.63 119.36 112.65 1pyv n ILE 21 Ca -0.15 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.00 1pyv n ILE 21 Cb 0.56 -0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.65 1pyv n ILE 21 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1pyv n SER 22 N -1.97 -0.92 -0.88 9.51 2.88 -1.26 -4.12 113.62 116.86 1pyv n SER 22 Ca 0.00 1.65 -0.04 0.00 -1.33 0.00 0.00 58.87 59.15 1pyv n SER 22 Cb 0.00 -0.25 -0.04 0.00 -0.75 0.00 0.00 64.21 63.17 1pyv n SER 22 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1pyv n ARG 23 N -4.97 0.00 0.00 -1.46 1.85 -1.26 -4.88 116.66 105.94 1pyv n ARG 23 Ca 0.02 -0.79 0.00 0.00 -1.00 0.00 0.00 57.85 56.07 1pyv n ARG 23 Cb 0.22 0.27 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 1pyv n ARG 23 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1pyv n SER 24 N 0.04 0.00 -0.26 2.89 7.64 -1.26 -3.93 113.62 118.75 1pyv n SER 24 Ca -0.16 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.78 1pyv n SER 24 Cb 0.68 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.15 1pyv n SER 24 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1pyv n LEU 25 N 0.00 0.77 0.04 -3.43 7.94 -1.26 -3.43 117.00 117.63 1pyv n LEU 25 Ca 0.00 -0.35 -0.18 0.00 -1.11 0.00 0.00 56.01 54.37 1pyv n LEU 25 Cb 0.00 -0.07 -0.14 0.00 0.53 0.00 0.00 43.42 43.73 1pyv n LEU 25 CO 0.00 0.18 -0.50 1.23 -1.11 0.00 0.00 177.39 177.18 1pyv h GLY 26 N 5.46 0.28 -0.79 -3.96 0.00 -1.80 -3.26 103.07 99.00 1pyv h GLY 26 Ca 0.00 -0.71 0.33 0.00 0.00 0.00 0.00 47.33 46.95 1pyv h GLY 26 CO 0.00 0.62 1.08 -0.57 0.00 0.00 0.00 176.54 177.67 1pyv h ASN 27 N 0.07 0.00 -1.41 0.19 -1.24 -1.67 -2.97 115.58 108.54 1pyv h ASN 27 Ca -0.31 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.45 1pyv h ASN 27 Cb 2.03 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 40.85 1pyv h ASN 27 CO 0.14 0.00 -0.61 -0.55 -1.29 0.00 0.00 177.43 175.12 1pyv s SER 28 N -4.09 -0.50 0.08 1.15 0.15 -1.25 -4.99 113.70 104.26 1pyv s SER 28 Ca -0.04 -1.79 -0.13 0.00 0.70 0.00 0.00 55.95 54.69 1pyv s SER 28 Cb 0.18 1.25 -0.21 0.00 -1.71 0.00 0.00 66.02 65.54 1pyv s SER 28 CO 0.62 -0.13 1.22 0.16 1.20 0.00 0.00 173.24 176.30 1pyv h ILE 29 N 4.93 1.29 0.00 6.45 3.07 -1.56 0.11 117.51 131.81 1pyv h ILE 29 Ca 0.10 -2.24 0.00 0.00 1.55 0.00 0.00 64.86 64.27 1pyv h ILE 29 Cb 1.08 2.34 0.00 0.00 -0.27 0.00 0.00 36.82 39.96 1pyv h ILE 29 CO 0.13 0.69 0.00 -0.81 -1.05 0.00 0.00 178.15 177.11 1pyv n PRO 30 N -3.85 0.06 0.00 0.16 -0.04 -1.26 -2.26 135.00 127.81 1pyv n PRO 30 Ca -0.10 0.18 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 1pyv n PRO 30 Cb 0.86 -1.60 0.03 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.71 0.50 0.00 0.54 3.00 -1.15 -4.48 118.16 114.85 1pyv n LYS 31 Ca 0.05 -0.94 -0.14 0.00 -0.00 0.00 0.00 58.31 57.28 1pyv n LYS 31 Cb 0.28 -1.14 -0.14 0.00 0.00 0.00 0.00 35.03 34.02 1pyv n LYS 31 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1pyv h SER 32 N 1.58 0.20 0.04 3.14 4.64 -0.33 -3.30 113.55 119.51 1pyv h SER 32 Ca 0.00 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1pyv h SER 32 Cb 0.35 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1pyv h SER 32 CO 0.00 1.36 0.00 0.00 -0.87 0.00 0.00 176.83 177.32 1pyv h ALA 33 N 0.61 1.00 0.00 5.18 0.00 -1.76 0.32 119.26 124.61 1pyv h ALA 33 Ca -0.32 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1pyv h ALA 33 Cb 2.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 1pyv h ALA 33 CO 0.10 0.00 -1.51 -1.13 0.00 0.00 0.00 179.25 176.70 1pyv n SER 34 N -2.35 0.74 -2.96 0.00 3.41 -1.24 -4.20 113.62 107.02 1pyv n SER 34 Ca -0.01 0.33 -0.27 0.00 -0.26 0.00 0.00 58.87 58.65 1pyv n SER 34 Cb 0.05 0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1pyv n SER 34 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1pyv n ARG 35 N -2.83 3.23 0.00 4.33 1.85 0.11 -4.89 116.66 118.45 1pyv n ARG 35 Ca -0.11 -4.86 0.00 0.00 -1.00 0.00 0.00 57.85 51.88 1pyv n ARG 35 Cb 0.84 -2.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 1pyv n ARG 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pyv n ALA 36 N -0.21 0.00 -3.33 2.89 0.00 -1.00 -4.91 120.51 113.95 1pyv n ALA 36 Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.57 1pyv n ALA 36 Cb 0.39 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.91 1pyv n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pyv n SER 37 N 0.00 -4.62 0.00 0.00 7.64 -1.26 -4.61 113.62 110.77 1pyv n SER 37 Ca 0.00 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.42 1pyv n SER 37 Cb 0.00 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 1pyv n SER 37 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pyv n SER 38 N -2.32 0.00 -0.10 6.43 7.64 -1.26 -4.91 113.62 119.10 1pyv n SER 38 Ca -0.06 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.72 1pyv n SER 38 Cb 0.57 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.63 1pyv n SER 38 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1pyv n ARG 39 N -0.63 0.86 0.00 1.43 0.63 -1.26 -4.25 116.66 113.45 1pyv n ARG 39 Ca 0.00 0.01 0.13 0.00 -0.92 0.00 0.00 57.85 57.08 1pyv n ARG 39 Cb 0.00 -1.48 0.37 0.00 0.45 0.00 0.00 32.46 31.79 1pyv n ARG 39 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pyv n ALA 40 N -2.78 2.68 -0.01 5.13 0.00 -1.26 -3.58 120.51 120.69 1pyv n ALA 40 Ca -0.33 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 1pyv n ALA 40 Cb 1.09 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 1pyv n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pyv h SER 41 N 2.79 -0.06 0.60 0.00 0.87 -1.91 1.43 113.55 117.27 1pyv h SER 41 Ca 0.00 -0.59 -0.18 0.00 -1.23 0.00 0.00 61.79 59.79 1pyv h SER 41 Cb 0.64 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1pyv h SER 41 CO 0.00 0.61 -0.79 1.55 -0.53 0.00 0.00 176.83 177.67 1pyv h PRO 42 N -0.77 0.14 0.04 2.24 0.13 -1.78 -3.20 132.00 128.81 1pyv h PRO 42 Ca -0.01 -0.14 -0.28 0.00 -0.87 0.00 0.00 66.00 64.71 1pyv h PRO 42 Cb 0.64 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.78 1pyv h PRO 42 CO 0.01 0.86 -1.47 -0.22 -0.23 0.00 0.00 178.00 176.95 1pyv h LYS 43 N 0.09 0.09 -0.55 0.86 1.63 -1.66 -3.36 116.57 113.67 1pyv h LYS 43 Ca -0.03 -0.15 0.10 0.00 -0.85 0.00 0.00 60.65 59.72 1pyv h LYS 43 Cb 1.38 0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 32.96 1pyv h LYS 43 CO 0.12 0.85 -0.33 0.78 -3.45 0.00 0.00 179.45 177.42 1pyv h GLY 44 N 2.71 -0.13 -0.83 5.01 0.00 0.20 0.55 103.07 110.58 1pyv h GLY 44 Ca -0.20 0.43 0.39 0.00 0.00 0.00 0.00 47.33 47.95 1pyv h GLY 44 CO 0.12 -0.21 0.91 -2.75 0.00 0.00 0.00 176.54 174.61 1pyv h PHE 45 N -0.18 0.32 0.10 5.60 3.04 -1.70 1.82 116.94 125.94 1pyv h PHE 45 Ca 0.22 0.01 -0.28 0.00 3.98 0.00 0.00 57.97 61.90 1pyv h PHE 45 Cb 0.55 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1pyv h PHE 45 CO -0.61 -0.05 -1.38 1.25 -2.02 0.00 0.00 178.31 175.50 1pyv h LEU 46 N 0.12 0.32 -0.48 0.59 5.85 -0.22 -3.12 115.31 118.37 1pyv h LEU 46 Ca 0.72 -0.41 -0.16 0.00 0.84 0.00 0.00 57.88 58.87 1pyv h LEU 46 Cb 2.45 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 43.37 1pyv h LEU 46 CO -0.21 1.33 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.68 1pyv h LEU 47 N 0.06 0.79 -0.62 2.25 -0.00 0.44 -2.24 115.31 115.99 1pyv h LEU 47 Ca -0.18 -0.39 0.01 0.00 -0.00 0.00 0.00 57.88 57.33 1pyv h LEU 47 Cb 1.97 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 42.37 1pyv h LEU 47 CO 0.17 1.13 0.40 -1.13 -0.00 0.00 0.00 178.44 179.01 1pyv h ASN 48 N 0.58 0.69 0.44 -0.43 -1.24 0.18 -0.57 115.58 115.22 1pyv h ASN 48 Ca 0.03 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 1pyv h ASN 48 Cb 1.03 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 1pyv h ASN 48 CO 0.10 0.49 -0.22 0.03 -1.29 0.00 0.00 177.43 176.54 1pyv h ARG 49 N 0.81 0.00 -0.71 6.67 3.08 -1.45 -0.17 114.38 122.60 1pyv h ARG 49 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 1pyv h ARG 49 Cb -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1pyv h ARG 49 CO -0.06 0.22 0.33 0.00 -1.07 0.00 0.00 179.97 179.38 1pyv h ALA 50 N 1.78 1.24 0.00 0.04 0.00 -0.49 -0.15 119.26 121.68 1pyv h ALA 50 Ca -0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1pyv h ALA 50 Cb 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1pyv h ALA 50 CO 0.03 0.58 -1.02 0.28 0.00 0.00 0.00 179.25 179.11 1pyv h VAL 51 N 1.02 0.78 0.40 0.00 2.07 -1.08 -3.34 116.25 116.09 1pyv h VAL 51 Ca 0.25 -2.25 -0.02 0.00 0.82 0.00 0.00 66.70 65.49 1pyv h VAL 51 Cb 0.12 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1pyv h VAL 51 CO -0.03 0.44 -0.19 -0.61 0.02 0.00 0.00 177.57 177.20 1pyv h GLN 52 N 0.00 -0.51 -0.01 1.57 4.15 -0.28 -3.52 115.11 116.51 1pyv h GLN 52 Ca -0.09 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1pyv h GLN 52 Cb 1.54 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.35 1pyv h GLN 52 CO 0.06 -0.26 0.00 0.66 -1.93 0.00 0.00 178.83 177.37