#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyv n SER 2 N 0.00 -5.24 0.02 0.00 7.64 -1.26 -4.91 113.62 109.87 1pyv n SER 2 Ca 0.00 -0.75 -0.05 0.00 1.01 0.00 0.00 58.87 59.08 1pyv n SER 2 Cb 0.00 -2.03 -0.04 0.00 -1.01 0.00 0.00 64.21 61.13 1pyv n SER 2 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1pyv h ARG 3 N 0.18 -0.16 -0.75 1.43 2.43 -2.07 -3.08 114.38 112.37 1pyv h ARG 3 Ca -0.56 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 58.76 1pyv h ARG 3 Cb 1.36 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.90 1pyv h ARG 3 CO 0.34 0.06 0.50 0.00 -1.51 0.00 0.00 179.97 179.36 1pyv h ARG 4 N -1.01 0.40 0.09 0.20 3.08 -2.02 -0.81 114.38 114.32 1pyv h ARG 4 Ca -0.02 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1pyv h ARG 4 Cb 0.30 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1pyv h ARG 4 CO 0.03 0.27 -0.12 1.25 -1.07 0.00 0.00 179.97 180.33 1pyv h LEU 5 N 0.42 -0.32 -1.55 3.04 5.85 -1.94 -0.89 115.31 119.91 1pyv h LEU 5 Ca 0.36 0.04 0.46 0.00 0.84 0.00 0.00 57.88 59.58 1pyv h LEU 5 Cb 0.83 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.86 1pyv h LEU 5 CO -0.12 -0.18 0.97 0.25 -0.34 0.00 0.00 178.44 179.02 1pyv h LEU 6 N -0.25 0.18 0.55 2.25 5.85 -1.04 0.39 115.31 123.24 1pyv h LEU 6 Ca 0.01 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1pyv h LEU 6 Cb 0.25 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.38 1pyv h LEU 6 CO -0.05 -0.14 -0.26 0.00 -0.34 0.00 0.00 178.44 177.64 1pyv h ALA 7 N 1.47 -1.16 -0.68 1.25 0.00 -1.14 -1.06 119.26 117.94 1pyv h ALA 7 Ca 0.83 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.75 1pyv h ALA 7 Cb 2.80 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 20.84 1pyv h ALA 7 CO -0.32 -1.10 0.48 1.03 0.00 0.00 0.00 179.25 179.33 1pyv h SER 8 N -0.76 0.15 -0.79 0.00 0.87 -0.34 0.39 113.55 113.06 1pyv h SER 8 Ca -0.08 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1pyv h SER 8 Cb 0.57 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 1pyv h SER 8 CO 0.12 0.08 0.41 -0.07 -0.53 0.00 0.00 176.83 176.84 1pyv h LEU 9 N 0.16 1.02 0.01 2.23 4.07 -0.18 0.26 115.31 122.87 1pyv h LEU 9 Ca 0.33 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.19 1pyv h LEU 9 Cb 1.08 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1pyv h LEU 9 CO -0.05 0.84 -0.00 0.25 -1.08 0.00 0.00 178.44 178.39 1pyv h LEU 10 N 1.13 -0.01 -1.65 1.67 7.12 0.10 -2.57 115.31 121.10 1pyv h LEU 10 Ca 0.28 -0.62 0.12 0.00 0.13 0.00 0.00 57.88 57.80 1pyv h LEU 10 Cb 0.07 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.16 1pyv h LEU 10 CO -0.04 0.62 0.44 0.03 -0.13 0.00 0.00 178.44 179.36 1pyv h ARG 11 N -0.64 0.36 -0.39 1.25 3.08 -0.86 0.85 114.38 118.03 1pyv h ARG 11 Ca -0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1pyv h ARG 11 Cb 0.62 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1pyv h ARG 11 CO 0.00 0.24 -0.10 1.96 -1.07 0.00 0.00 179.97 181.00 1pyv h GLN 12 N 0.37 0.75 0.00 0.04 1.08 -0.44 0.38 115.11 117.30 1pyv h GLN 12 Ca 0.31 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1pyv h GLN 12 Cb 0.71 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1pyv h GLN 12 CO -0.09 0.90 0.00 0.66 -0.95 0.00 0.00 178.83 179.35 1pyv h SER 13 N 0.56 0.00 0.00 1.46 4.64 -0.60 -2.96 113.55 116.65 1pyv h SER 13 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1pyv h SER 13 Cb 0.63 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1pyv h SER 13 CO 0.04 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.94 1pyv h ALA 14 N 2.02 0.01 0.00 5.18 0.00 0.96 -3.23 119.26 124.20 1pyv h ALA 14 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1pyv h ALA 14 Cb 0.93 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1pyv h ALA 14 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1pyv n GLN 15 N -4.60 0.07 -3.54 0.00 10.64 0.13 -3.35 117.38 116.73 1pyv n GLN 15 Ca -0.11 0.48 -0.27 0.00 -1.83 0.00 0.00 57.00 55.27 1pyv n GLN 15 Cb 0.49 -1.69 -0.10 0.00 -0.86 0.00 0.00 30.24 28.08 1pyv n GLN 15 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1pyv n ARG 16 N -1.83 1.04 -0.24 2.61 3.00 -1.12 -4.94 116.66 115.17 1pyv n ARG 16 Ca 0.01 -3.77 0.06 0.00 -0.01 0.00 0.00 57.85 54.13 1pyv n ARG 16 Cb 0.08 -1.88 0.31 0.00 0.00 0.00 0.00 32.46 30.97 1pyv n ARG 16 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1pyv h GLY 17 N 5.19 1.13 -0.88 -0.13 0.00 -1.62 -2.84 103.07 103.92 1pyv h GLY 17 Ca 0.20 -0.35 0.09 0.00 0.00 0.00 0.00 47.33 47.27 1pyv h GLY 17 CO 0.55 0.24 -0.49 0.61 0.00 0.00 0.00 176.54 177.45 1pyv n GLY 18 N -1.42 -2.22 0.00 4.60 0.00 -1.26 -4.87 105.19 100.02 1pyv n GLY 18 Ca 0.13 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.19 1pyv n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyv n GLY 19 N -1.25 0.99 2.73 -0.02 0.00 -1.07 -4.89 105.19 101.67 1pyv n GLY 19 Ca 0.03 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.11 0.00 0.99 4.32 -1.26 -4.58 117.00 116.36 1pyv n LEU 20 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1pyv n LEU 20 Cb 0.00 -2.43 0.00 0.00 -1.62 0.00 0.00 43.42 39.37 1pyv n LEU 20 CO 0.00 -0.93 -0.11 -0.38 -1.22 0.00 0.00 177.39 174.75 1pyv n ILE 21 N -2.27 0.00 0.28 -0.08 2.08 -1.26 -4.26 119.36 113.85 1pyv n ILE 21 Ca -0.08 0.00 0.15 0.00 0.56 0.00 0.00 62.75 63.38 1pyv n ILE 21 Cb 0.52 -0.52 0.72 0.00 -0.75 0.00 0.00 39.64 39.62 1pyv n ILE 21 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1pyv h SER 22 N 0.00 0.00 0.00 4.38 0.87 -1.95 1.45 113.55 118.30 1pyv h SER 22 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1pyv h SER 22 Cb 0.23 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1pyv h SER 22 CO 0.00 0.00 -1.63 -2.11 -0.53 0.00 0.00 176.83 172.56 1pyv n ARG 23 N -2.56 1.73 0.12 2.24 1.85 -1.26 -3.79 116.66 115.00 1pyv n ARG 23 Ca -0.01 0.02 -0.23 0.00 -1.00 0.00 0.00 57.85 56.63 1pyv n ARG 23 Cb 0.13 -1.23 -0.14 0.00 -1.05 0.00 0.00 32.46 30.16 1pyv n ARG 23 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1pyv h SER 24 N 0.00 0.86 0.86 2.89 0.87 -1.66 -3.20 113.55 114.17 1pyv h SER 24 Ca -0.25 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.46 1pyv h SER 24 Cb 1.50 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1pyv h SER 24 CO -0.01 1.65 -0.29 -0.11 -0.53 0.00 0.00 176.83 177.54 1pyv n LEU 25 N -3.75 0.42 0.04 2.23 -0.00 0.49 -3.28 117.00 113.16 1pyv n LEU 25 Ca -0.15 0.28 0.12 0.00 -0.00 0.00 0.00 56.01 56.27 1pyv n LEU 25 Cb 1.04 -0.33 0.50 0.00 -0.00 0.00 0.00 43.42 44.63 1pyv n LEU 25 CO 0.59 0.01 0.89 0.61 -0.00 0.00 0.00 177.39 179.49 1pyv n GLY 26 N 1.44 -1.46 0.27 -3.96 0.00 -1.20 -3.08 105.19 97.21 1pyv n GLY 26 Ca 0.06 -0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1pyv n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pyv h ASN 27 N 0.00 0.00 0.00 1.61 4.21 -1.61 -3.27 115.58 116.52 1pyv h ASN 27 Ca 0.00 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.38 1pyv h ASN 27 Cb 0.51 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 37.58 1pyv h ASN 27 CO 0.00 0.00 -0.21 -1.54 -1.29 0.00 0.00 177.43 174.39 1pyv n SER 28 N -2.68 -1.91 -0.04 5.81 3.41 -1.18 -4.96 113.62 112.06 1pyv n SER 28 Ca -0.02 -2.41 -0.13 0.00 -0.26 0.00 0.00 58.87 56.05 1pyv n SER 28 Cb 0.16 1.19 -0.11 0.00 -0.26 0.00 0.00 64.21 65.19 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 1.93 1.52 0.00 -1.33 2.04 -1.61 0.22 117.51 120.28 1pyv h ILE 29 Ca -0.20 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 63.77 1pyv h ILE 29 Cb 1.14 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1pyv h ILE 29 CO 0.02 0.47 0.00 -0.81 0.00 0.00 0.00 178.15 177.83 1pyv n PRO 30 N -4.71 0.11 -0.10 2.37 -0.04 -1.26 -2.31 135.00 129.07 1pyv n PRO 30 Ca -0.09 0.21 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 1pyv n PRO 30 Cb 0.38 -1.66 0.11 0.00 -0.04 0.00 0.00 33.50 32.29 1pyv n PRO 30 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pyv n LYS 31 N -1.85 1.45 -2.42 0.54 5.02 -1.23 -4.85 118.16 114.82 1pyv n LYS 31 Ca 0.05 -0.69 -0.11 0.00 -2.02 0.00 0.00 58.31 55.53 1pyv n LYS 31 Cb 0.29 -1.16 0.01 0.00 -0.02 0.00 0.00 35.03 34.15 1pyv n LYS 31 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pyv n SER 32 N 0.05 -3.76 -3.10 4.39 2.88 -0.98 -2.39 113.62 110.72 1pyv n SER 32 Ca 0.07 -0.08 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 1pyv n SER 32 Cb 0.17 -2.83 0.03 0.00 -0.75 0.00 0.00 64.21 60.83 1pyv n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pyv n ALA 33 N -2.10 -1.00 0.32 -1.46 0.00 0.77 -4.79 120.51 112.25 1pyv n ALA 33 Ca -0.10 0.26 0.15 0.00 0.00 0.00 0.00 53.44 53.76 1pyv n ALA 33 Cb 0.58 -3.80 0.79 0.00 0.00 0.00 0.00 19.45 17.02 1pyv n ALA 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pyv h SER 34 N -1.38 0.00 -2.03 0.00 4.64 -1.57 -0.85 113.55 112.35 1pyv h SER 34 Ca -0.52 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.24 1pyv h SER 34 Cb 1.36 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 63.03 1pyv h SER 34 CO 0.57 0.00 -0.77 -1.14 -0.87 0.00 0.00 176.83 174.61 1pyv n ARG 35 N -2.92 2.83 0.00 4.77 3.00 -1.26 -4.91 116.66 118.16 1pyv n ARG 35 Ca -0.01 -4.49 0.00 0.00 -0.00 0.00 0.00 57.85 53.35 1pyv n ARG 35 Cb 0.41 -2.11 0.00 0.00 0.00 0.00 0.00 32.46 30.76 1pyv n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pyv n ALA 36 N -0.20 0.12 -1.03 5.13 0.00 -0.32 -4.83 120.51 119.37 1pyv n ALA 36 Ca 0.31 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.88 1pyv n ALA 36 Cb 0.51 0.00 -0.05 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 -6.16 0.00 0.00 7.64 -1.26 -4.83 113.62 109.02 1pyv n SER 37 Ca 0.00 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1pyv n SER 37 Cb 0.00 -3.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.91 1pyv n SER 37 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1pyv n SER 38 N -3.73 0.00 -2.75 6.43 2.88 -1.26 -4.20 113.62 110.99 1pyv n SER 38 Ca -0.02 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.43 1pyv n SER 38 Cb 0.48 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.03 1pyv n SER 38 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pyv n ARG 39 N 0.00 1.06 0.00 -1.46 1.74 -1.26 -4.92 116.66 111.82 1pyv n ARG 39 Ca 0.00 -2.00 0.00 0.00 -0.77 0.00 0.00 57.85 55.08 1pyv n ARG 39 Cb 0.00 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1pyv n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pyv n ALA 40 N 0.13 2.38 0.00 7.54 0.00 -1.26 -4.37 120.51 124.93 1pyv n ALA 40 Ca 0.05 -0.38 -0.12 0.00 0.00 0.00 0.00 53.44 52.99 1pyv n ALA 40 Cb 0.73 -0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.09 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 0.01 -0.07 0.47 0.00 0.87 -1.93 1.42 113.55 114.32 1pyv h SER 41 Ca 0.00 -0.53 -0.19 0.00 -1.23 0.00 0.00 61.79 59.84 1pyv h SER 41 Cb 0.00 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1pyv h SER 41 CO 0.00 0.54 -0.82 1.55 -0.53 0.00 0.00 176.83 177.57 1pyv h PRO 42 N -0.74 0.26 0.00 2.24 0.13 -1.98 -3.13 132.00 128.77 1pyv h PRO 42 Ca -0.01 -0.25 -0.11 0.00 -0.87 0.00 0.00 66.00 64.76 1pyv h PRO 42 Cb 0.60 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 1pyv h PRO 42 CO 0.01 0.94 -0.90 0.87 -0.23 0.00 0.00 178.00 178.69 1pyv h LYS 43 N 0.16 0.00 0.12 0.86 1.79 -1.76 -3.36 116.57 114.38 1pyv h LYS 43 Ca -0.04 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1pyv h LYS 43 Cb 1.42 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.03 1pyv h LYS 43 CO 0.13 0.33 -0.37 0.78 -1.08 0.00 0.00 179.45 179.24 1pyv h GLY 44 N 3.67 -0.72 -0.20 3.86 0.00 0.20 1.52 103.07 111.40 1pyv h GLY 44 Ca -0.07 0.44 0.21 0.00 0.00 0.00 0.00 47.33 47.91 1pyv h GLY 44 CO 0.05 -0.26 0.36 -2.75 0.00 0.00 0.00 176.54 173.94 1pyv h PHE 45 N -0.60 0.59 0.00 5.60 3.04 -1.70 1.79 116.94 125.67 1pyv h PHE 45 Ca 0.03 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 1pyv h PHE 45 Cb 0.63 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1pyv h PHE 45 CO -0.32 -0.06 -0.18 1.25 -2.02 0.00 0.00 178.31 176.98 1pyv h LEU 46 N 0.38 0.00 0.00 0.59 5.85 -1.49 -2.70 115.31 117.94 1pyv h LEU 46 Ca 0.54 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.20 1pyv h LEU 46 Cb 1.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1pyv h LEU 46 CO -0.53 0.17 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.23 1pyv h LEU 47 N 0.00 0.00 0.07 2.25 -0.00 1.06 -3.03 115.31 115.65 1pyv h LEU 47 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.62 1pyv h LEU 47 Cb 1.13 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.77 1pyv h LEU 47 CO 0.02 0.30 -1.26 -1.13 -0.00 0.00 0.00 178.44 176.37 1pyv h ASN 48 N 0.00 0.22 0.74 -0.43 -0.73 0.23 -3.23 115.58 112.38 1pyv h ASN 48 Ca -0.01 -0.26 -0.06 0.00 1.87 0.00 0.00 56.30 57.84 1pyv h ASN 48 Cb 1.24 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.75 1pyv h ASN 48 CO 0.04 1.21 -0.27 -0.09 -0.37 0.00 0.00 177.43 177.94 1pyv h ARG 49 N 0.04 0.00 -0.68 6.67 2.43 -1.48 0.09 114.38 121.44 1pyv h ARG 49 Ca -0.13 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1pyv h ARG 49 Cb 1.91 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.43 1pyv h ARG 49 CO 0.15 0.27 0.35 0.00 -1.51 0.00 0.00 179.97 179.24 1pyv h ALA 50 N 1.73 0.88 0.00 2.80 0.00 -1.54 -1.33 119.26 121.79 1pyv h ALA 50 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1pyv h ALA 50 Cb 0.72 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1pyv h ALA 50 CO 0.04 0.42 -0.77 0.28 0.00 0.00 0.00 179.25 179.21 1pyv h VAL 51 N 0.94 0.37 -0.24 0.00 2.07 -1.60 -3.31 116.25 114.47 1pyv h VAL 51 Ca 0.24 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 1pyv h VAL 51 Cb 0.08 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1pyv h VAL 51 CO -0.03 0.21 0.14 -0.61 0.02 0.00 0.00 177.57 177.29 1pyv h GLN 52 N 0.00 0.34 -0.01 1.57 4.15 -0.33 -3.52 115.11 117.31 1pyv h GLN 52 Ca -0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1pyv h GLN 52 Cb 1.26 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1pyv h GLN 52 CO 0.03 0.29 0.00 0.66 -1.93 0.00 0.00 178.83 177.88