#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 6.67 0.37 0.00 0.01 -1.26 -4.89 113.70 114.60 1pyv s SER 2 Ca 0.00 -2.40 0.19 0.00 1.31 0.00 0.00 55.95 55.05 1pyv s SER 2 Cb 0.00 -2.27 1.18 0.00 0.21 0.00 0.00 66.02 65.14 1pyv s SER 2 CO 0.00 -0.76 1.66 0.03 0.41 0.00 0.00 173.24 174.58 1pyv h ARG 3 N 8.21 0.25 -0.58 12.44 3.08 -2.03 1.23 114.38 136.99 1pyv h ARG 3 Ca 0.08 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1pyv h ARG 3 Cb 1.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 1pyv h ARG 3 CO 0.89 0.17 0.08 -0.09 -1.07 0.00 0.00 179.97 179.94 1pyv h ARG 4 N 0.26 0.96 0.62 0.04 2.43 -1.97 0.37 114.38 117.09 1pyv h ARG 4 Ca 0.74 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.62 1pyv h ARG 4 Cb 1.89 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 31.33 1pyv h ARG 4 CO -0.54 0.92 -0.30 1.25 -1.51 0.00 0.00 179.97 179.80 1pyv h LEU 5 N 0.86 -0.71 -2.34 3.80 5.85 0.95 0.62 115.31 124.34 1pyv h LEU 5 Ca 0.17 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1pyv h LEU 5 Cb 0.44 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1pyv h LEU 5 CO 0.01 -0.32 0.02 0.17 -0.34 0.00 0.00 178.44 177.98 1pyv h LEU 6 N -1.18 0.00 0.14 2.25 -0.00 -0.60 -1.84 115.31 114.09 1pyv h LEU 6 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1pyv h LEU 6 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1pyv h LEU 6 CO 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 178.44 178.51 1pyv h ALA 7 N 1.96 -0.19 -0.93 0.17 0.00 0.11 -2.20 119.26 118.18 1pyv h ALA 7 Ca 0.00 -0.07 0.27 0.00 0.00 0.00 0.00 54.91 55.11 1pyv h ALA 7 Cb 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1pyv h ALA 7 CO 0.00 -0.18 0.67 1.03 0.00 0.00 0.00 179.25 180.77 1pyv h SER 8 N -1.04 0.04 0.98 0.00 0.87 -0.25 1.80 113.55 115.95 1pyv h SER 8 Ca -0.02 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 1pyv h SER 8 Cb 0.20 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1pyv h SER 8 CO 0.03 0.01 -0.73 0.25 -0.53 0.00 0.00 176.83 175.86 1pyv h LEU 9 N 0.04 0.00 0.00 2.23 7.12 -1.40 -2.98 115.31 120.32 1pyv h LEU 9 Ca 0.45 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 58.39 1pyv h LEU 9 Cb 1.73 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.85 1pyv h LEU 9 CO -0.03 0.73 -0.44 0.25 -0.13 0.00 0.00 178.44 178.83 1pyv h LEU 10 N 0.00 0.00 -1.54 2.25 6.46 0.27 -2.95 115.31 119.79 1pyv h LEU 10 Ca -0.01 -0.50 0.10 0.00 -0.12 0.00 0.00 57.88 57.35 1pyv h LEU 10 Cb 1.42 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.34 1pyv h LEU 10 CO 0.09 1.00 0.63 0.03 -0.62 0.00 0.00 178.44 179.57 1pyv h ARG 11 N -1.00 0.00 0.17 1.25 3.08 0.19 1.04 114.38 119.11 1pyv h ARG 11 Ca -0.10 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.62 1pyv h ARG 11 Cb 0.80 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.86 1pyv h ARG 11 CO -0.06 0.00 -1.65 0.37 -1.07 0.00 0.00 179.97 177.56 1pyv h GLN 12 N 0.00 0.37 0.00 0.04 5.75 -1.61 -3.28 115.11 116.38 1pyv h GLN 12 Ca 0.16 -0.63 -0.09 0.00 -0.15 0.00 0.00 58.65 57.94 1pyv h GLN 12 Cb 1.41 0.24 -0.01 0.00 1.07 0.00 0.00 27.48 30.18 1pyv h GLN 12 CO -0.00 1.30 -0.41 1.03 -2.65 0.00 0.00 178.83 178.10 1pyv h SER 13 N 0.01 0.00 0.19 -0.69 0.87 0.55 -1.51 113.55 112.97 1pyv h SER 13 Ca -0.33 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.17 1pyv h SER 13 Cb 2.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.97 1pyv h SER 13 CO 0.16 0.41 -0.25 0.00 -0.53 0.00 0.00 176.83 176.62 1pyv h ALA 14 N 1.59 1.46 0.08 6.23 0.00 0.63 -3.04 119.26 126.21 1pyv h ALA 14 Ca -0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 1pyv h ALA 14 Cb 1.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1pyv h ALA 14 CO 0.05 0.39 -1.15 1.96 0.00 0.00 0.00 179.25 180.51 1pyv h GLN 15 N 0.11 0.18 -1.69 0.00 4.20 -1.55 -3.32 115.11 113.02 1pyv h GLN 15 Ca 0.02 -0.30 0.51 0.00 0.06 0.00 0.00 58.65 58.93 1pyv h GLN 15 Cb 0.51 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.32 1pyv h GLN 15 CO 0.04 1.14 1.20 -2.13 -0.67 0.00 0.00 178.83 178.41 1pyv n ARG 16 N -4.11 -0.01 0.00 1.46 0.63 -0.59 -4.68 116.66 109.35 1pyv n ARG 16 Ca -0.23 1.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 1pyv n ARG 16 Cb 0.80 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 31.42 1pyv n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pyv n GLY 17 N -1.76 1.34 0.16 5.14 0.00 -1.20 -4.50 105.19 104.36 1pyv n GLY 17 Ca 0.40 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.39 -2.65 -0.02 0.00 -1.83 -3.50 103.07 94.67 1pyv h GLY 18 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1pyv h GLY 18 CO 0.00 -0.14 -0.26 0.61 0.00 0.00 0.00 176.54 176.75 1pyv n GLY 19 N 0.15 -3.65 0.04 4.60 0.00 -1.26 -4.81 105.19 100.26 1pyv n GLY 19 Ca -0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 1pyv n GLY 19 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pyv h LEU 20 N 1.13 -0.08 -1.87 0.99 3.38 -1.97 -3.15 115.31 113.75 1pyv h LEU 20 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1pyv h LEU 20 Cb 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1pyv h LEU 20 CO 0.00 -0.01 0.42 0.16 0.09 0.00 0.00 178.44 179.10 1pyv h ILE 21 N -0.19 0.13 -0.24 1.22 -0.00 -1.94 0.75 117.51 117.23 1pyv h ILE 21 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 64.86 64.92 1pyv h ILE 21 Cb 0.07 0.61 -0.01 0.00 -0.00 0.00 0.00 36.82 37.50 1pyv h ILE 21 CO 0.02 0.00 0.54 -1.28 -0.00 0.00 0.00 178.15 177.42 1pyv h SER 22 N 0.00 0.00 0.00 2.16 0.87 -1.86 0.13 113.55 114.85 1pyv h SER 22 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1pyv h SER 22 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1pyv h SER 22 CO -0.00 0.00 0.00 -2.11 -0.53 0.00 0.00 176.83 174.19 1pyv n ARG 23 N -3.16 0.00 0.00 2.24 1.85 0.69 -4.75 116.66 113.54 1pyv n ARG 23 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 1pyv n ARG 23 Cb 0.65 -0.14 0.00 0.00 -1.05 0.00 0.00 32.46 31.92 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 -2.08 0.00 0.21 2.89 7.64 0.23 0.10 113.62 122.61 1pyv n SER 24 Ca 0.00 0.01 0.08 0.00 1.01 0.00 0.00 58.87 59.97 1pyv n SER 24 Cb 0.00 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 63.66 1pyv n SER 24 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1pyv h LEU 25 N 0.00 0.00 -2.42 -3.43 -0.00 -1.74 -2.45 115.31 105.26 1pyv h LEU 25 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1pyv h LEU 25 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1pyv h LEU 25 CO 0.00 0.27 -0.03 1.23 -0.00 0.00 0.00 178.44 179.91 1pyv h GLY 26 N 1.79 0.00 1.36 0.83 0.00 -0.60 0.23 103.07 106.69 1pyv h GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pyv h GLY 26 CO 0.03 0.00 -0.48 3.43 0.00 0.00 0.00 176.54 179.53 1pyv h ASN 27 N 0.00 0.00 0.36 0.19 2.35 0.12 -3.20 115.58 115.40 1pyv h ASN 27 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1pyv h ASN 27 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1pyv h ASN 27 CO 0.00 0.08 -0.67 -1.54 -1.65 0.00 0.00 177.43 173.65 1pyv n SER 28 N -2.17 0.65 0.09 5.81 3.41 0.74 -3.64 113.62 118.52 1pyv n SER 28 Ca 0.04 -0.45 -0.13 0.00 -0.26 0.00 0.00 58.87 58.07 1pyv n SER 28 Cb 0.44 0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 64.80 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 0.00 0.89 0.00 -1.33 1.08 -1.32 -0.57 117.51 116.26 1pyv h ILE 29 Ca 0.00 -0.79 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 1pyv h ILE 29 Cb 0.52 1.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.60 1pyv h ILE 29 CO 0.00 0.17 0.00 -0.81 -0.69 0.00 0.00 178.15 176.82 1pyv n PRO 30 N -5.03 0.02 -0.03 2.37 -0.04 -1.26 -2.34 135.00 128.70 1pyv n PRO 30 Ca -0.09 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 1pyv n PRO 30 Cb 0.25 -1.53 0.34 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.57 1.20 -2.65 0.54 4.81 -1.13 -4.85 118.16 114.51 1pyv n LYS 31 Ca 0.05 -0.30 -0.12 0.00 -0.87 0.00 0.00 58.31 57.07 1pyv n LYS 31 Cb 0.26 -1.23 0.02 0.00 0.02 0.00 0.00 35.03 34.10 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 -0.41 -4.05 -1.94 3.14 7.64 -0.99 -3.09 113.62 113.93 1pyv n SER 32 Ca 0.10 -0.15 -0.07 0.00 1.01 0.00 0.00 58.87 59.76 1pyv n SER 32 Cb 0.11 -2.96 0.04 0.00 -1.01 0.00 0.00 64.21 60.39 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 -2.69 -0.76 -0.30 -0.43 0.00 -0.23 -4.91 120.51 111.18 1pyv n ALA 33 Ca -0.07 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1pyv n ALA 33 Cb 0.57 -1.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.66 0.00 0.00 2.88 -1.17 -4.26 113.62 108.85 1pyv n SER 34 Ca -0.09 1.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1pyv n SER 34 Cb 0.56 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 -5.01 0.00 -3.30 -1.46 1.74 -1.26 -5.06 116.66 102.30 1pyv n ARG 35 Ca 0.04 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.84 1pyv n ARG 35 Cb 0.24 -0.01 0.03 0.00 -1.02 0.00 0.00 32.46 31.70 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 -1.23 -2.50 -3.00 7.54 0.00 -1.26 -5.01 120.51 115.05 1pyv n ALA 36 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1pyv n ALA 36 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 16.86 1pyv n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pyv n SER 37 N -0.14 0.00 -4.57 0.00 2.88 -1.26 -4.86 113.62 105.67 1pyv n SER 37 Ca -0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.38 1pyv n SER 37 Cb 0.61 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.96 1pyv n SER 37 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pyv s SER 38 N 1.00 3.45 0.00 -3.46 0.15 -1.26 -0.56 113.70 113.02 1pyv s SER 38 Ca 0.00 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1pyv s SER 38 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1pyv s SER 38 CO 0.00 -4.64 0.00 0.54 1.20 0.00 0.00 173.24 170.34 1pyv n ARG 39 N 8.33 0.00 -0.18 5.44 1.74 -1.26 -4.94 116.66 125.79 1pyv n ARG 39 Ca 0.43 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.60 1pyv n ARG 39 Cb 0.46 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.16 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 0.00 2.45 -0.04 7.54 0.00 0.27 -3.81 120.51 126.91 1pyv n ALA 40 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 1pyv n ALA 40 Cb 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 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 3.01 -0.02 0.56 0.00 0.02 -1.92 0.81 113.55 116.01 1pyv h SER 41 Ca 0.00 -0.74 -0.18 0.00 -0.84 0.00 0.00 61.79 60.03 1pyv h SER 41 Cb 0.67 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1pyv h SER 41 CO 0.00 0.80 -0.80 1.55 -1.14 0.00 0.00 176.83 177.24 1pyv h PRO 42 N -0.90 0.17 0.06 3.45 0.13 -1.93 -3.22 132.00 129.76 1pyv h PRO 42 Ca -0.00 -0.17 -0.29 0.00 -0.87 0.00 0.00 66.00 64.67 1pyv h PRO 42 Cb 0.76 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1pyv h PRO 42 CO 0.00 0.88 -1.53 -0.22 -0.23 0.00 0.00 178.00 176.90 1pyv h LYS 43 N 0.11 0.13 -0.72 0.86 3.64 -1.69 -3.36 116.57 115.54 1pyv h LYS 43 Ca -0.03 -0.22 0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1pyv h LYS 43 Cb 1.39 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 33.16 1pyv h LYS 43 CO 0.12 0.91 -0.31 0.78 -2.27 0.00 0.00 179.45 178.68 1pyv h GLY 44 N 2.41 0.11 -0.42 5.01 0.00 0.66 0.74 103.07 111.58 1pyv h GLY 44 Ca -0.23 0.41 0.31 0.00 0.00 0.00 0.00 47.33 47.81 1pyv h GLY 44 CO 0.12 -0.23 0.64 -2.75 0.00 0.00 0.00 176.54 174.33 1pyv h PHE 45 N -0.09 0.82 0.00 5.60 3.04 -1.71 1.86 116.94 126.47 1pyv h PHE 45 Ca 0.29 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.19 1pyv h PHE 45 Cb 0.57 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1pyv h PHE 45 CO -0.68 -0.06 -0.80 1.25 -2.02 0.00 0.00 178.31 176.00 1pyv h LEU 46 N 0.37 0.00 -0.17 0.59 5.85 -0.02 -3.05 115.31 118.88 1pyv h LEU 46 Ca 0.69 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 59.19 1pyv h LEU 46 Cb 1.66 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 1pyv h LEU 46 CO -0.47 0.36 -0.96 0.25 -0.34 0.00 0.00 178.44 177.28 1pyv h LEU 47 N 0.00 0.37 -0.59 2.25 6.46 0.73 -2.80 115.31 121.73 1pyv h LEU 47 Ca -0.05 -0.31 -0.15 0.00 -0.12 0.00 0.00 57.88 57.25 1pyv h LEU 47 Cb 1.32 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.13 1pyv h LEU 47 CO 0.04 1.14 -0.48 0.78 -0.62 0.00 0.00 178.44 179.29 1pyv h ASN 48 N 0.14 0.61 0.82 1.25 4.21 0.21 -2.53 115.58 120.28 1pyv h ASN 48 Ca -0.07 -0.30 -0.02 0.00 1.21 0.00 0.00 56.30 57.12 1pyv h ASN 48 Cb 1.61 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 38.64 1pyv h ASN 48 CO 0.15 0.99 -0.10 0.08 -1.29 0.00 0.00 177.43 177.26 1pyv h ARG 49 N 0.44 0.00 -0.63 0.81 -0.00 -1.50 -1.30 114.38 112.20 1pyv h ARG 49 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.94 1pyv h ARG 49 Cb 1.01 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.95 1pyv h ARG 49 CO 0.09 0.10 0.13 0.00 -0.00 0.00 0.00 179.97 180.30 1pyv h ALA 50 N 1.90 1.04 0.06 0.08 0.00 -1.17 -2.65 119.26 118.52 1pyv h ALA 50 Ca -0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 1pyv h ALA 50 Cb 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1pyv h ALA 50 CO 0.01 0.63 -1.32 0.28 0.00 0.00 0.00 179.25 178.84 1pyv h VAL 51 N 0.96 1.36 -0.65 0.00 2.07 -1.48 -3.31 116.25 115.20 1pyv h VAL 51 Ca 0.20 -3.05 0.14 0.00 0.82 0.00 0.00 66.70 64.81 1pyv h VAL 51 Cb 0.37 2.77 -0.11 0.00 -1.52 0.00 0.00 31.29 32.80 1pyv h VAL 51 CO 0.00 0.84 -0.01 -0.61 0.02 0.00 0.00 177.57 177.81 1pyv h GLN 52 N 0.04 0.10 -0.01 1.57 5.75 -0.91 -3.52 115.11 118.13 1pyv h GLN 52 Ca -0.15 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1pyv h GLN 52 Cb 1.92 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.45 1pyv h GLN 52 CO 0.15 0.07 0.00 0.66 -2.65 0.00 0.00 178.83 177.06