#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 -0.58 0.05 0.00 0.01 -1.26 -5.01 113.70 106.91 1pyv s SER 2 Ca 0.00 0.22 -0.14 0.00 1.31 0.00 0.00 55.95 57.34 1pyv s SER 2 Cb 0.00 0.57 -0.05 0.00 0.21 0.00 0.00 66.02 66.75 1pyv s SER 2 CO 0.00 -0.84 1.23 0.03 0.41 0.00 0.00 173.24 174.07 1pyv h ARG 3 N 2.30 -0.18 -0.98 12.44 3.08 -2.03 0.17 114.38 129.19 1pyv h ARG 3 Ca -0.31 0.01 0.21 0.00 0.07 0.00 0.00 59.98 59.96 1pyv h ARG 3 Cb 1.25 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.26 1pyv h ARG 3 CO 0.38 -0.12 0.62 0.00 -1.07 0.00 0.00 179.97 179.78 1pyv h ARG 4 N -0.18 0.52 0.00 0.04 -0.00 -1.99 -2.20 114.38 110.57 1pyv h ARG 4 Ca 0.03 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1pyv h ARG 4 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 29.97 30.11 1pyv h ARG 4 CO -0.24 0.35 -0.00 1.25 0.00 0.00 0.00 179.97 181.33 1pyv h LEU 5 N 0.54 -0.00 -1.79 3.04 7.12 -1.17 0.04 115.31 123.08 1pyv h LEU 5 Ca 0.54 0.00 0.46 0.00 0.13 0.00 0.00 57.88 59.01 1pyv h LEU 5 Cb 1.15 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.22 1pyv h LEU 5 CO -0.28 -0.00 1.25 0.17 -0.13 0.00 0.00 178.44 179.45 1pyv h LEU 6 N -0.00 0.00 0.52 2.25 8.10 -0.43 0.54 115.31 126.29 1pyv h LEU 6 Ca -0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1pyv h LEU 6 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.23 1pyv h LEU 6 CO -0.00 0.00 -0.25 0.00 -4.11 0.00 0.00 178.44 174.08 1pyv h ALA 7 N 0.99 -0.86 -0.83 0.17 0.00 -0.53 -1.41 119.26 116.78 1pyv h ALA 7 Ca 0.76 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.73 1pyv h ALA 7 Cb 3.25 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 21.26 1pyv h ALA 7 CO -0.01 -0.81 0.57 1.03 0.00 0.00 0.00 179.25 180.03 1pyv h SER 8 N -0.94 0.20 -0.11 0.00 0.87 0.18 1.70 113.55 115.45 1pyv h SER 8 Ca -0.07 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.42 1pyv h SER 8 Cb 0.53 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1pyv h SER 8 CO 0.12 0.08 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.22 1pyv h LEU 9 N 0.20 0.52 0.00 2.23 3.38 -0.83 0.35 115.31 121.16 1pyv h LEU 9 Ca 0.41 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1pyv h LEU 9 Cb 1.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1pyv h LEU 9 CO -0.09 0.74 -0.68 0.25 0.09 0.00 0.00 178.44 178.75 1pyv h LEU 10 N 0.47 0.00 -2.45 1.67 7.12 0.16 -2.56 115.31 119.72 1pyv h LEU 10 Ca 0.07 -0.71 0.01 0.00 0.13 0.00 0.00 57.88 57.38 1pyv h LEU 10 Cb 0.63 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.76 1pyv h LEU 10 CO 0.04 1.26 0.05 0.08 -0.13 0.00 0.00 178.44 179.74 1pyv h ARG 11 N -1.00 0.00 0.08 1.25 0.11 0.21 1.17 114.38 116.20 1pyv h ARG 11 Ca -0.19 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.60 1pyv h ARG 11 Cb 1.15 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.21 1pyv h ARG 11 CO -0.11 0.00 -1.51 0.37 0.10 0.00 0.00 179.97 178.82 1pyv h GLN 12 N 0.00 0.16 0.15 0.08 5.75 -0.39 -3.24 115.11 117.62 1pyv h GLN 12 Ca 0.02 -0.28 -0.27 0.00 -0.15 0.00 0.00 58.65 57.97 1pyv h GLN 12 Cb 0.12 0.10 0.03 0.00 1.07 0.00 0.00 27.48 28.80 1pyv h GLN 12 CO -0.00 0.98 -1.13 0.66 -2.65 0.00 0.00 178.83 176.69 1pyv h SER 13 N 0.04 0.73 -0.85 -0.69 4.64 -0.61 -2.05 113.55 114.77 1pyv h SER 13 Ca -0.22 -0.88 0.15 0.00 -0.47 0.00 0.00 61.79 60.37 1pyv h SER 13 Cb 1.98 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 63.77 1pyv h SER 13 CO 0.14 1.54 0.56 0.00 -0.87 0.00 0.00 176.83 178.20 1pyv h ALA 14 N 0.20 1.95 0.00 5.18 0.00 0.12 0.22 119.26 126.93 1pyv h ALA 14 Ca -0.18 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 1pyv h ALA 14 Cb 1.85 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 1pyv h ALA 14 CO 0.21 -0.18 -1.05 -0.56 0.00 0.00 0.00 179.25 177.67 1pyv h GLN 15 N 0.59 0.00 0.00 0.00 3.07 -1.58 -3.48 115.11 113.71 1pyv h GLN 15 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 1pyv h GLN 15 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1pyv h GLN 15 CO -0.18 0.88 0.00 0.54 0.09 0.00 0.00 178.83 180.16 1pyv n ARG 16 N -3.29 0.00 -0.95 0.06 1.74 0.77 -5.00 116.66 109.99 1pyv n ARG 16 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1pyv n ARG 16 Cb 0.93 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.37 1pyv n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pyv n GLY 17 N 0.00 0.19 2.37 -0.13 0.00 -1.14 -3.38 105.19 103.09 1pyv n GLY 17 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.55 -0.44 4.19 -0.02 0.00 -1.26 -0.48 105.19 106.64 1pyv n GLY 18 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.47 -0.47 0.06 -0.02 0.00 -1.22 -4.87 105.19 98.20 1pyv n GLY 19 Ca 0.01 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.17 -0.08 -0.93 0.99 4.07 -1.11 -3.29 115.31 112.79 1pyv h LEU 20 Ca -0.68 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.28 1pyv h LEU 20 Cb 1.38 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.14 1pyv h LEU 20 CO 0.60 0.19 0.00 2.30 -1.08 0.00 0.00 178.44 180.46 1pyv n ILE 21 N -3.65 0.92 0.24 1.22 -6.64 -1.26 -0.08 119.36 110.12 1pyv n ILE 21 Ca -0.01 0.41 0.15 0.00 -1.77 0.00 0.00 62.75 61.52 1pyv n ILE 21 Cb 0.04 -1.36 0.80 0.00 -1.44 0.00 0.00 39.64 37.68 1pyv n ILE 21 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1pyv h SER 22 N 0.00 0.00 0.00 7.28 0.02 -1.90 -2.72 113.55 116.23 1pyv h SER 22 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pyv h SER 22 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1pyv h SER 22 CO 0.00 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 173.58 1pyv n ARG 23 N -2.58 0.00 0.00 3.45 1.85 -0.80 -4.47 116.66 114.11 1pyv n ARG 23 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1pyv n ARG 23 Cb 0.13 -0.20 0.00 0.00 -1.05 0.00 0.00 32.46 31.34 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 -2.49 2.89 7.64 0.89 -0.60 113.62 119.87 1pyv n SER 24 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1pyv n SER 24 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1pyv n SER 24 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pyv n LEU 25 N 0.00 6.40 0.00 -3.43 7.99 -1.26 -3.54 117.00 123.17 1pyv n LEU 25 Ca 0.00 -3.82 0.00 0.00 -0.01 0.00 0.00 56.01 52.18 1pyv n LEU 25 Cb 0.00 -1.36 0.00 0.00 -0.11 0.00 0.00 43.42 41.95 1pyv n LEU 25 CO 0.00 1.80 0.00 0.61 -1.51 0.00 0.00 177.39 178.29 1pyv n GLY 26 N 1.97 -0.07 0.62 -0.72 0.00 -1.03 -4.64 105.19 101.31 1pyv n GLY 26 Ca 0.51 -0.03 0.41 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 0.00 1.61 -1.24 -0.90 -2.79 115.58 112.26 1pyv h ASN 27 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 1pyv h ASN 27 Cb 0.00 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 38.91 1pyv h ASN 27 CO 0.00 0.00 -0.45 -1.20 -1.29 0.00 0.00 177.43 174.49 1pyv n SER 28 N -3.76 -2.69 -0.25 1.15 7.64 -1.26 -5.01 113.62 109.44 1pyv n SER 28 Ca 0.33 -3.27 0.01 0.00 1.01 0.00 0.00 58.87 56.96 1pyv n SER 28 Cb 1.68 1.78 0.09 0.00 -1.01 0.00 0.00 64.21 66.75 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 2.86 0.28 0.00 0.44 1.08 -1.76 1.48 117.51 121.89 1pyv h ILE 29 Ca -0.15 -0.00 -0.35 0.00 -0.39 0.00 0.00 64.86 63.97 1pyv h ILE 29 Cb 1.06 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1pyv h ILE 29 CO 0.26 0.00 1.74 -0.81 -0.69 0.00 0.00 178.15 178.65 1pyv n PRO 30 N -5.47 2.24 0.00 2.37 -0.04 -1.26 -2.76 135.00 130.07 1pyv n PRO 30 Ca 0.10 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1pyv n PRO 30 Cb 0.38 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.38 0.00 -0.31 0.54 4.76 -0.47 -4.95 118.16 121.10 1pyv n LYS 31 Ca 0.48 0.00 0.24 0.00 -2.87 0.00 0.00 58.31 56.16 1pyv n LYS 31 Cb 0.39 0.00 0.54 0.00 -1.84 0.00 0.00 35.03 34.12 1pyv n LYS 31 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1pyv h SER 32 N 0.00 0.38 -0.06 4.39 0.87 0.19 1.41 113.55 120.73 1pyv h SER 32 Ca 0.00 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1pyv h SER 32 Cb 0.00 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1pyv h SER 32 CO 0.00 0.08 0.26 0.00 -0.53 0.00 0.00 176.83 176.64 1pyv h ALA 33 N 1.60 1.40 -0.14 6.23 0.00 -1.66 0.85 119.26 127.54 1pyv h ALA 33 Ca 0.58 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.44 1pyv h ALA 33 Cb 1.56 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1pyv h ALA 33 CO -0.25 -0.29 -0.11 0.43 0.00 0.00 0.00 179.25 179.02 1pyv n SER 34 N -3.12 2.63 -2.70 0.00 7.64 0.48 -4.63 113.62 113.92 1pyv n SER 34 Ca -0.01 -3.38 -0.07 0.00 1.01 0.00 0.00 58.87 56.42 1pyv n SER 34 Cb 0.34 -0.52 0.11 0.00 -1.01 0.00 0.00 64.21 63.12 1pyv n SER 34 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1pyv n ARG 35 N -1.08 1.19 0.00 1.43 3.00 0.29 -5.06 116.66 116.43 1pyv n ARG 35 Ca 0.22 -1.96 0.00 0.00 -0.00 0.00 0.00 57.85 56.10 1pyv n ARG 35 Cb 0.80 -0.16 0.00 0.00 0.00 0.00 0.00 32.46 33.10 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 -0.54 0.00 -0.26 5.13 0.00 -0.92 -4.82 120.51 119.10 1pyv n ALA 36 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1pyv n ALA 36 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.29 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 0.00 -1.53 0.00 0.00 2.88 -1.26 -4.89 113.62 108.82 1pyv n SER 37 Ca 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1pyv n SER 37 Cb 0.00 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1pyv n SER 37 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1pyv n SER 38 N -0.26 0.00 -1.28 -3.46 2.88 -1.26 -3.45 113.62 106.78 1pyv n SER 38 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1pyv n SER 38 Cb 0.03 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.58 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 0.86 -0.00 -1.46 1.74 -1.26 -4.68 116.66 111.86 1pyv n ARG 39 Ca 0.00 -2.68 0.01 0.00 -0.77 0.00 0.00 57.85 54.42 1pyv n ARG 39 Cb 0.00 -0.80 0.01 0.00 -1.02 0.00 0.00 32.46 30.65 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 -0.22 2.48 -0.00 7.54 0.00 -1.22 -4.37 120.51 124.71 1pyv n ALA 40 Ca 0.13 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.90 1pyv n ALA 40 Cb 0.95 -0.10 -0.10 0.00 0.00 0.00 0.00 19.45 20.20 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 0.57 -0.06 0.50 0.00 0.02 -1.87 1.45 113.55 114.16 1pyv h SER 41 Ca 0.00 -0.56 -0.19 0.00 -0.84 0.00 0.00 61.79 60.20 1pyv h SER 41 Cb 0.14 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1pyv h SER 41 CO 0.00 0.56 -0.82 1.55 -1.14 0.00 0.00 176.83 176.99 1pyv h PRO 42 N -0.72 0.23 0.00 3.45 0.13 -1.93 -3.14 132.00 130.02 1pyv h PRO 42 Ca -0.01 -0.23 -0.14 0.00 -0.87 0.00 0.00 66.00 64.76 1pyv h PRO 42 Cb 0.61 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 1pyv h PRO 42 CO 0.01 0.93 -0.98 0.87 -0.23 0.00 0.00 178.00 178.61 1pyv h LYS 43 N 0.14 0.00 -0.08 0.86 1.79 -1.76 -3.35 116.57 114.18 1pyv h LYS 43 Ca -0.04 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 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 0.40 -0.18 0.78 -1.08 0.00 0.00 179.45 179.49 1pyv h GLY 44 N 3.60 -0.19 -0.71 3.86 0.00 0.21 0.10 103.07 109.95 1pyv h GLY 44 Ca -0.08 0.22 0.36 0.00 0.00 0.00 0.00 47.33 47.83 1pyv h GLY 44 CO 0.06 -0.17 0.75 -2.75 0.00 0.00 0.00 176.54 174.43 1pyv h PHE 45 N -0.26 0.62 0.09 5.60 3.04 -1.68 1.98 116.94 126.32 1pyv h PHE 45 Ca 0.08 0.02 -0.25 0.00 3.98 0.00 0.00 57.97 61.80 1pyv h PHE 45 Cb 0.37 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.72 1pyv h PHE 45 CO -0.27 -0.12 -1.15 1.25 -2.02 0.00 0.00 178.31 176.01 1pyv h LEU 46 N 0.21 0.37 -0.29 0.59 6.46 -1.39 -3.08 115.31 118.18 1pyv h LEU 46 Ca 0.73 -0.38 -0.18 0.00 -0.12 0.00 0.00 57.88 57.94 1pyv h LEU 46 Cb 2.10 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.91 1pyv h LEU 46 CO -0.40 1.27 -0.51 -0.07 -0.62 0.00 0.00 178.44 178.11 1pyv h LEU 47 N 0.08 0.96 -1.25 2.25 -0.00 0.39 -2.47 115.31 115.27 1pyv h LEU 47 Ca -0.11 -0.53 0.08 0.00 -0.00 0.00 0.00 57.88 57.33 1pyv h LEU 47 Cb 1.86 -0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 42.19 1pyv h LEU 47 CO 0.18 1.30 0.55 0.78 -0.00 0.00 0.00 178.44 181.25 1pyv h ASN 48 N 0.65 0.77 -0.37 -0.43 4.21 0.23 -0.13 115.58 120.51 1pyv h ASN 48 Ca 0.02 0.01 -0.14 0.00 1.21 0.00 0.00 56.30 57.41 1pyv h ASN 48 Cb 1.12 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.16 1pyv h ASN 48 CO 0.12 0.47 -0.28 0.03 -1.29 0.00 0.00 177.43 176.48 1pyv h ARG 49 N 0.86 0.89 -0.01 0.81 3.08 -1.42 -1.88 114.38 116.71 1pyv h ARG 49 Ca 0.38 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1pyv h ARG 49 Cb 0.35 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1pyv h ARG 49 CO -0.15 1.06 0.01 0.00 -1.07 0.00 0.00 179.97 179.81 1pyv h ALA 50 N 0.92 1.77 0.02 0.04 0.00 -0.58 -1.85 119.26 119.57 1pyv h ALA 50 Ca 0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1pyv h ALA 50 Cb 0.84 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1pyv h ALA 50 CO 0.07 -0.01 -0.23 0.28 0.00 0.00 0.00 179.25 179.37 1pyv h VAL 51 N 0.00 1.63 -0.97 0.00 2.07 -0.84 -3.32 116.25 114.82 1pyv h VAL 51 Ca 0.00 -2.15 0.14 0.00 0.82 0.00 0.00 66.70 65.51 1pyv h VAL 51 Cb 0.01 3.05 -0.15 0.00 -1.52 0.00 0.00 31.29 32.68 1pyv h VAL 51 CO -0.00 0.58 -0.42 1.56 0.02 0.00 0.00 177.57 179.31 1pyv h GLN 52 N -0.67 -0.01 -0.01 1.57 4.20 -0.55 -3.52 115.11 116.12 1pyv h GLN 52 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1pyv h GLN 52 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1pyv h GLN 52 CO 0.04 -0.01 0.00 0.66 -0.67 0.00 0.00 178.83 178.85