#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 -6.41 -0.11 0.00 3.41 -1.26 -4.94 113.62 104.31 1pyv n SER 2 Ca 0.00 0.40 -0.20 0.00 -0.26 0.00 0.00 58.87 58.82 1pyv n SER 2 Cb 0.00 -1.53 -0.08 0.00 -0.26 0.00 0.00 64.21 62.34 1pyv n SER 2 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1pyv n ARG 3 N 1.30 0.55 0.16 4.33 0.63 -1.26 -4.00 116.66 118.36 1pyv n ARG 3 Ca 0.00 0.44 0.08 0.00 -0.92 0.00 0.00 57.85 57.45 1pyv n ARG 3 Cb 0.47 -1.63 0.07 0.00 0.45 0.00 0.00 32.46 31.82 1pyv n ARG 3 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1pyv h ARG 4 N -1.00 0.00 0.00 -0.14 2.43 -2.00 -3.32 114.38 110.34 1pyv h ARG 4 Ca -0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1pyv h ARG 4 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1pyv h ARG 4 CO -0.21 0.15 0.00 1.28 -1.51 0.00 0.00 179.97 179.68 1pyv n LEU 5 N -3.02 0.03 -0.64 3.80 4.32 -1.26 -2.29 117.00 117.94 1pyv n LEU 5 Ca 0.01 0.90 0.50 0.00 -0.02 0.00 0.00 56.01 57.40 1pyv n LEU 5 Cb 0.61 -0.47 0.78 0.00 -1.62 0.00 0.00 43.42 42.73 1pyv n LEU 5 CO 0.38 -0.47 1.46 0.17 -1.22 0.00 0.00 177.39 177.71 1pyv h LEU 6 N 0.00 0.00 0.29 2.23 8.10 -1.73 0.37 115.31 124.57 1pyv h LEU 6 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 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 -0.14 0.00 -4.11 0.00 0.00 178.44 174.19 1pyv h ALA 7 N 0.98 -1.09 -0.95 0.17 0.00 -1.57 0.41 119.26 117.21 1pyv h ALA 7 Ca 0.87 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.84 1pyv h ALA 7 Cb 3.60 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 21.46 1pyv h ALA 7 CO -0.01 -1.06 0.60 1.03 0.00 0.00 0.00 179.25 179.82 1pyv h SER 8 N -0.39 0.79 0.02 0.00 0.87 0.06 1.72 113.55 116.61 1pyv h SER 8 Ca -0.04 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1pyv h SER 8 Cb 0.30 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1pyv h SER 8 CO 0.06 0.39 -0.09 0.25 -0.53 0.00 0.00 176.83 176.92 1pyv h LEU 9 N 0.83 0.15 0.05 2.23 7.12 -0.82 1.54 115.31 126.42 1pyv h LEU 9 Ca 0.48 -0.02 -0.20 0.00 0.13 0.00 0.00 57.88 58.27 1pyv h LEU 9 Cb 0.64 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 1pyv h LEU 9 CO -0.25 0.27 -1.03 0.25 -0.13 0.00 0.00 178.44 177.55 1pyv h LEU 10 N 0.16 0.17 -1.58 2.25 7.12 0.45 -1.18 115.31 122.71 1pyv h LEU 10 Ca 0.04 -0.78 -0.05 0.00 0.13 0.00 0.00 57.88 57.22 1pyv h LEU 10 Cb 0.27 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1pyv h LEU 10 CO 0.01 1.43 -0.22 0.08 -0.13 0.00 0.00 178.44 179.61 1pyv h ARG 11 N -0.68 0.00 0.18 1.25 0.11 0.25 0.92 114.38 116.41 1pyv h ARG 11 Ca -0.25 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.48 1pyv h ARG 11 Cb 1.44 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.53 1pyv h ARG 11 CO -0.04 0.22 -1.74 1.96 0.10 0.00 0.00 179.97 180.48 1pyv h GLN 12 N 0.00 0.39 -0.03 0.08 1.08 0.21 -3.22 115.11 113.62 1pyv h GLN 12 Ca -0.00 -0.66 -0.16 0.00 -1.45 0.00 0.00 58.65 56.38 1pyv h GLN 12 Cb 0.45 0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1pyv h GLN 12 CO 0.03 1.31 -0.70 0.66 -0.95 0.00 0.00 178.83 179.17 1pyv h SER 13 N 0.11 0.21 -0.86 1.46 4.64 -0.93 -1.54 113.55 116.65 1pyv h SER 13 Ca -0.34 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1pyv h SER 13 Cb 2.10 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 64.09 1pyv h SER 13 CO 0.18 0.84 0.43 0.00 -0.87 0.00 0.00 176.83 177.41 1pyv h ALA 14 N 1.15 1.10 0.00 5.18 0.00 0.76 -1.83 119.26 125.63 1pyv h ALA 14 Ca -0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1pyv h ALA 14 Cb 1.25 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1pyv h ALA 14 CO 0.10 0.65 -0.51 -0.56 0.00 0.00 0.00 179.25 178.93 1pyv h GLN 15 N 1.21 0.00 -6.98 0.00 3.07 -1.53 -3.47 115.11 107.40 1pyv h GLN 15 Ca 0.30 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 58.45 1pyv h GLN 15 Cb 0.09 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 27.48 1pyv h GLN 15 CO -0.04 0.51 -0.92 2.89 0.09 0.00 0.00 178.83 181.35 1pyv n ARG 16 N -3.30 -0.83 -0.69 0.06 1.85 -0.59 -4.76 116.66 108.40 1pyv n ARG 16 Ca 0.01 0.07 -0.13 0.00 -1.00 0.00 0.00 57.85 56.81 1pyv n ARG 16 Cb 0.70 -3.21 0.07 0.00 -1.05 0.00 0.00 32.46 28.97 1pyv n ARG 16 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pyv n GLY 17 N -2.43 3.50 0.00 2.89 0.00 -1.26 -4.57 105.19 103.32 1pyv n GLY 17 Ca -0.28 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1pyv n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyv n GLY 18 N -0.10 0.46 3.10 -0.02 0.00 -1.26 -5.12 105.19 102.25 1pyv n GLY 18 Ca 0.29 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1pyv n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pyv s GLY 19 N -0.03 1.92 0.04 -0.02 0.00 -1.26 -4.98 107.32 102.99 1pyv s GLY 19 Ca 0.00 -2.37 -0.34 0.00 0.00 0.00 0.00 44.72 42.01 1pyv s GLY 19 CO 0.00 0.93 1.40 1.41 0.00 0.00 0.00 173.10 176.84 1pyv h LEU 20 N 7.89 -1.01 -1.59 0.66 3.38 -1.99 -1.87 115.31 120.78 1pyv h LEU 20 Ca -0.12 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.02 1pyv h LEU 20 Cb 1.04 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1pyv h LEU 20 CO 0.61 -0.67 0.67 0.16 0.09 0.00 0.00 178.44 179.30 1pyv h ILE 21 N -1.30 0.18 -0.33 1.22 -2.65 -1.93 1.71 117.51 114.41 1pyv h ILE 21 Ca -0.12 0.00 0.10 0.00 1.03 0.00 0.00 64.86 65.86 1pyv h ILE 21 Cb 0.92 0.43 -0.01 0.00 -2.05 0.00 0.00 36.82 36.10 1pyv h ILE 21 CO 0.20 0.00 0.35 -1.28 0.03 0.00 0.00 178.15 177.45 1pyv h SER 22 N 0.00 0.00 0.00 2.16 0.87 -1.75 -3.11 113.55 111.72 1pyv h SER 22 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1pyv h SER 22 Cb 1.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1pyv h SER 22 CO -0.00 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.84 1pyv n ARG 23 N -3.77 0.00 -0.31 2.24 5.12 0.29 -4.56 116.66 115.68 1pyv n ARG 23 Ca 0.05 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.02 1pyv n ARG 23 Cb 0.51 -0.13 0.13 0.00 -1.16 0.00 0.00 32.46 31.82 1pyv n ARG 23 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1pyv h SER 24 N 0.00 -0.73 1.32 0.55 0.02 0.19 1.04 113.55 115.95 1pyv h SER 24 Ca 0.00 0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1pyv h SER 24 Cb 0.00 0.51 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1pyv h SER 24 CO 0.00 -0.28 -0.70 0.25 -1.14 0.00 0.00 176.83 174.96 1pyv h LEU 25 N 0.01 0.00 -0.39 5.07 7.12 -1.66 -3.23 115.31 122.23 1pyv h LEU 25 Ca 0.43 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.44 1pyv h LEU 25 Cb 0.70 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1pyv h LEU 25 CO -0.87 0.28 0.00 0.61 -0.13 0.00 0.00 178.44 178.33 1pyv n GLY 26 N 1.22 -0.79 0.00 3.75 0.00 0.34 -0.23 105.19 109.49 1pyv n GLY 26 Ca -0.01 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1pyv n GLY 26 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pyv n ASN 27 N -1.75 0.79 -0.50 1.61 5.15 -0.22 -4.10 115.26 116.24 1pyv n ASN 27 Ca 0.01 -0.63 0.13 0.00 -0.60 0.00 0.00 54.58 53.49 1pyv n ASN 27 Cb 0.07 1.29 0.29 0.00 -0.53 0.00 0.00 39.78 40.91 1pyv n ASN 27 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1pyv n SER 28 N -1.68 1.74 -0.01 1.20 7.64 0.67 -4.07 113.62 119.10 1pyv n SER 28 Ca 0.01 -1.40 -0.13 0.00 1.01 0.00 0.00 58.87 58.36 1pyv n SER 28 Cb 0.36 0.14 -0.09 0.00 -1.01 0.00 0.00 64.21 63.61 1pyv n SER 28 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1pyv h ILE 29 N 2.45 1.34 0.00 0.44 1.08 -1.58 -1.26 117.51 119.98 1pyv h ILE 29 Ca 0.00 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 1pyv h ILE 29 Cb 0.65 1.99 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 1pyv h ILE 29 CO 0.00 0.27 0.00 -0.81 -0.69 0.00 0.00 178.15 176.92 1pyv n PRO 30 N -4.85 0.02 -0.14 2.37 -0.04 -1.26 -2.35 135.00 128.75 1pyv n PRO 30 Ca -0.08 0.12 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1pyv n PRO 30 Cb 0.24 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.49 1.63 -3.26 0.54 5.02 -1.08 -4.86 118.16 114.66 1pyv n LYS 31 Ca 0.06 -0.87 -0.17 0.00 -2.02 0.00 0.00 58.31 55.31 1pyv n LYS 31 Cb 0.25 -1.25 0.06 0.00 -0.02 0.00 0.00 35.03 34.07 1pyv n LYS 31 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pyv n SER 32 N 0.19 -5.04 -2.82 4.39 7.64 -0.99 -2.69 113.62 114.30 1pyv n SER 32 Ca 0.08 -0.38 -0.16 0.00 1.01 0.00 0.00 58.87 59.43 1pyv n SER 32 Cb 0.24 -3.65 0.06 0.00 -1.01 0.00 0.00 64.21 59.85 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 -4.24 -1.22 -0.66 -0.43 0.00 -0.50 -4.81 120.51 108.66 1pyv n ALA 33 Ca 0.01 0.15 0.50 0.00 0.00 0.00 0.00 53.44 54.09 1pyv n ALA 33 Cb 0.54 -3.23 0.77 0.00 0.00 0.00 0.00 19.45 17.52 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 -2.20 0.01 0.00 0.00 2.88 -1.10 -4.23 113.62 108.98 1pyv n SER 34 Ca -0.09 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1pyv n SER 34 Cb 0.58 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -3.85 0.00 -3.53 -1.46 1.74 -1.26 -5.08 116.66 103.22 1pyv n ARG 35 Ca 0.42 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 57.11 1pyv n ARG 35 Cb 1.88 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 33.35 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 -1.08 -2.33 -3.47 7.54 0.00 -1.26 -4.98 120.51 114.94 1pyv n ALA 36 Ca 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 1pyv n ALA 36 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.28 1pyv n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pyv s SER 37 N -1.58 -0.47 0.00 0.00 0.01 -1.26 -4.78 113.70 105.61 1pyv s SER 37 Ca 0.36 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1pyv s SER 37 Cb -0.04 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1pyv s SER 37 CO 0.88 -0.77 0.00 -0.24 0.41 0.00 0.00 173.24 173.52 1pyv n SER 38 N -0.24 0.00 -0.55 2.44 2.88 -1.26 -3.32 113.62 113.58 1pyv n SER 38 Ca -0.13 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.46 1pyv n SER 38 Cb 0.63 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.21 1pyv n SER 38 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1pyv n ARG 39 N 0.00 2.29 -0.18 -1.46 0.00 -1.26 -4.33 116.66 111.72 1pyv n ARG 39 Ca 0.00 -1.79 0.12 0.00 -0.00 0.00 0.00 57.85 56.18 1pyv n ARG 39 Cb 0.00 -1.24 0.21 0.00 -0.00 0.00 0.00 32.46 31.43 1pyv n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pyv n ALA 40 N 0.47 2.42 -0.05 2.89 0.00 -1.21 -3.97 120.51 121.06 1pyv n ALA 40 Ca 0.10 -0.99 -0.14 0.00 0.00 0.00 0.00 53.44 52.41 1pyv n ALA 40 Cb 0.38 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 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 4.54 -0.00 0.48 0.00 0.02 -1.86 0.92 113.55 117.65 1pyv h SER 41 Ca 0.00 -0.86 -0.19 0.00 -0.84 0.00 0.00 61.79 59.90 1pyv h SER 41 Cb 1.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1pyv h SER 41 CO 0.00 0.86 -0.82 1.55 -1.14 0.00 0.00 176.83 177.28 1pyv h PRO 42 N -0.87 0.25 0.05 3.45 0.13 -1.88 -3.23 132.00 129.90 1pyv h PRO 42 Ca -0.00 -0.25 -0.28 0.00 -0.87 0.00 0.00 66.00 64.60 1pyv h PRO 42 Cb 0.86 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 1pyv h PRO 42 CO 0.00 0.94 -1.49 -0.22 -0.23 0.00 0.00 178.00 177.00 1pyv h LYS 43 N 0.15 0.10 -0.76 0.86 1.63 -1.69 -3.37 116.57 113.50 1pyv h LYS 43 Ca -0.04 -0.18 0.10 0.00 -0.85 0.00 0.00 60.65 59.68 1pyv h LYS 43 Cb 1.42 0.07 -0.12 0.00 -0.60 0.00 0.00 32.23 32.99 1pyv h LYS 43 CO 0.13 0.88 -0.47 0.78 -3.45 0.00 0.00 179.45 177.32 1pyv h GLY 44 N 2.59 -0.46 -0.78 5.01 0.00 0.88 1.12 103.07 111.44 1pyv h GLY 44 Ca -0.21 0.62 0.39 0.00 0.00 0.00 0.00 47.33 48.13 1pyv h GLY 44 CO 0.12 -0.12 0.95 -2.75 0.00 0.00 0.00 176.54 174.74 1pyv h PHE 45 N -0.13 0.18 0.06 5.60 3.04 -1.72 1.90 116.94 125.87 1pyv h PHE 45 Ca 0.21 0.01 -0.28 0.00 3.98 0.00 0.00 57.97 61.89 1pyv h PHE 45 Cb 0.54 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 1pyv h PHE 45 CO -0.82 -0.02 -1.45 -0.07 -2.02 0.00 0.00 178.31 173.92 1pyv h LEU 46 N 0.07 0.19 -0.35 0.59 3.38 0.86 -3.20 115.31 116.85 1pyv h LEU 46 Ca 0.68 -0.28 -0.19 0.00 0.09 0.00 0.00 57.88 58.19 1pyv h LEU 46 Cb 2.51 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 43.20 1pyv h LEU 46 CO -0.11 1.23 -0.68 -0.07 0.09 0.00 0.00 178.44 178.90 1pyv h LEU 47 N 0.03 0.71 -1.20 1.67 3.38 0.59 -2.01 115.31 118.49 1pyv h LEU 47 Ca -0.20 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.35 1pyv h LEU 47 Cb 1.95 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.45 1pyv h LEU 47 CO 0.13 1.19 0.54 -1.13 0.09 0.00 0.00 178.44 179.26 1pyv h ASN 48 N 0.44 0.92 1.06 -0.43 -0.73 0.21 -0.07 115.58 116.99 1pyv h ASN 48 Ca -0.02 -0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.03 1pyv h ASN 48 Cb 1.26 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.61 1pyv h ASN 48 CO 0.13 0.66 -0.45 -0.09 -0.37 0.00 0.00 177.43 177.31 1pyv h ARG 49 N 1.09 0.00 -0.03 6.67 1.12 -1.52 -1.66 114.38 120.05 1pyv h ARG 49 Ca 0.30 0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 59.07 1pyv h ARG 49 Cb -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 1pyv h ARG 49 CO -0.07 0.45 -0.48 0.00 -3.11 0.00 0.00 179.97 176.76 1pyv h ALA 50 N 1.55 1.15 0.00 2.80 0.00 -0.28 -1.99 119.26 122.48 1pyv h ALA 50 Ca -0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 1pyv h ALA 50 Cb 1.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1pyv h ALA 50 CO 0.06 0.62 -1.19 -0.24 0.00 0.00 0.00 179.25 178.49 1pyv h VAL 51 N 0.05 1.04 0.49 0.00 3.04 -1.07 -3.35 116.25 116.45 1pyv h VAL 51 Ca -0.00 -2.68 -0.02 0.00 -1.01 0.00 0.00 66.70 62.99 1pyv h VAL 51 Cb 0.88 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 32.63 1pyv h VAL 51 CO 0.07 0.59 -0.24 -0.61 -1.01 0.00 0.00 177.57 176.37 1pyv h GLN 52 N 0.00 -0.63 -0.01 4.17 5.75 -0.97 -3.52 115.11 119.91 1pyv h GLN 52 Ca -0.12 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1pyv h GLN 52 Cb 1.72 0.14 0.00 0.00 1.07 0.00 0.00 27.48 30.42 1pyv h GLN 52 CO 0.08 -0.34 0.00 0.66 -2.65 0.00 0.00 178.83 176.58