#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 6.25 0.00 0.00 0.01 -1.26 -4.26 113.70 114.44 1pyv s SER 2 Ca 0.00 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1pyv s SER 2 Cb 0.00 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1pyv s SER 2 CO 0.00 -0.13 0.00 0.54 0.41 0.00 0.00 173.24 174.06 1pyv n ARG 3 N 5.06 0.00 0.09 12.44 5.12 -1.26 -4.90 116.66 133.21 1pyv n ARG 3 Ca -0.10 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 55.95 1pyv n ARG 3 Cb 0.51 0.00 0.26 0.00 -1.16 0.00 0.00 32.46 32.07 1pyv n ARG 3 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pyv h ARG 4 N 0.00 0.00 -0.26 5.56 -0.00 -2.02 -3.26 114.38 114.39 1pyv h ARG 4 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.40 1pyv h ARG 4 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 1pyv h ARG 4 CO 0.00 0.00 -0.17 1.25 0.00 0.00 0.00 179.97 181.05 1pyv h LEU 5 N 0.00 0.45 -2.13 3.04 5.85 -1.91 -1.23 115.31 119.38 1pyv h LEU 5 Ca 0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1pyv h LEU 5 Cb 0.76 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1pyv h LEU 5 CO 0.00 0.64 -0.07 0.25 -0.34 0.00 0.00 178.44 178.93 1pyv h LEU 6 N 0.42 0.00 0.35 2.25 5.85 -1.89 -0.84 115.31 121.45 1pyv h LEU 6 Ca 0.07 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1pyv h LEU 6 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1pyv h LEU 6 CO 0.04 0.07 -0.17 0.00 -0.34 0.00 0.00 178.44 178.03 1pyv h ALA 7 N 1.93 -0.67 -0.56 1.25 0.00 -1.40 -1.21 119.26 118.60 1pyv h ALA 7 Ca -0.00 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.94 1pyv h ALA 7 Cb 0.26 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1pyv h ALA 7 CO 0.01 -0.64 0.39 0.77 0.00 0.00 0.00 179.25 179.78 1pyv h SER 8 N -0.77 0.14 -0.07 0.00 0.02 -1.44 1.61 113.55 113.04 1pyv h SER 8 Ca -0.05 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.81 1pyv h SER 8 Cb 0.36 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1pyv h SER 8 CO 0.08 0.08 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.52 1pyv h LEU 9 N 0.15 0.51 0.04 5.07 -0.00 -1.12 0.17 115.31 120.13 1pyv h LEU 9 Ca 0.27 -0.18 -0.17 0.00 -0.00 0.00 0.00 57.88 57.80 1pyv h LEU 9 Cb 0.85 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1pyv h LEU 9 CO -0.04 0.76 -0.92 0.25 -0.00 0.00 0.00 178.44 178.49 1pyv h LEU 10 N 0.45 0.13 -1.20 1.67 6.46 0.10 -3.11 115.31 119.81 1pyv h LEU 10 Ca 0.06 -0.77 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1pyv h LEU 10 Cb 0.68 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1pyv h LEU 10 CO 0.05 1.38 0.00 -2.11 -0.62 0.00 0.00 178.44 177.14 1pyv n ARG 11 N -4.32 0.15 0.04 1.25 1.85 0.51 0.06 116.66 116.19 1pyv n ARG 11 Ca -0.23 0.58 -0.22 0.00 -1.00 0.00 0.00 57.85 56.98 1pyv n ARG 11 Cb 0.69 -1.92 -0.14 0.00 -1.05 0.00 0.00 32.46 30.04 1pyv n ARG 11 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 1pyv h GLN 12 N 0.00 0.31 0.02 2.89 -0.00 -0.74 -3.16 115.11 114.44 1pyv h GLN 12 Ca 0.00 -0.53 -0.24 0.00 -0.00 0.00 0.00 58.65 57.87 1pyv h GLN 12 Cb 0.10 0.20 0.01 0.00 0.00 0.00 0.00 27.48 27.78 1pyv h GLN 12 CO 0.00 1.26 -1.01 0.66 0.00 0.00 0.00 178.83 179.74 1pyv h SER 13 N -0.15 0.63 -0.81 -0.69 4.64 -1.22 -2.33 113.55 113.63 1pyv h SER 13 Ca -0.30 -0.52 0.04 0.00 -0.47 0.00 0.00 61.79 60.53 1pyv h SER 13 Cb 1.89 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 63.73 1pyv h SER 13 CO 0.12 1.33 0.51 0.00 -0.87 0.00 0.00 176.83 177.92 1pyv h ALA 14 N 0.62 1.07 0.00 5.18 0.00 -0.52 -0.60 119.26 125.01 1pyv h ALA 14 Ca -0.10 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1pyv h ALA 14 Cb 1.66 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1pyv h ALA 14 CO 0.18 0.31 -0.54 -0.56 0.00 0.00 0.00 179.25 178.65 1pyv h GLN 15 N 0.98 0.00 -6.70 0.00 3.07 -1.54 -3.46 115.11 107.46 1pyv h GLN 15 Ca 0.33 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.52 1pyv h GLN 15 Cb 0.04 0.00 -0.31 0.00 0.08 0.00 0.00 27.48 27.29 1pyv h GLN 15 CO -0.13 0.54 -0.80 2.89 0.09 0.00 0.00 178.83 181.42 1pyv n ARG 16 N -3.67 -0.78 0.00 0.06 1.85 -0.24 -4.81 116.66 109.08 1pyv n ARG 16 Ca -0.01 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 1pyv n ARG 16 Cb 0.59 -3.94 0.00 0.00 -1.05 0.00 0.00 32.46 28.06 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 -1.24 -3.00 0.00 2.89 0.00 -1.26 -4.56 105.19 98.01 1pyv n GLY 17 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.94 0.05 0.00 -0.02 0.00 -1.26 -5.08 105.19 97.93 1pyv n GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.27 -1.14 0.24 -0.02 0.00 -1.26 -4.96 105.19 100.31 1pyv n GLY 19 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 1pyv n GLY 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pyv h LEU 20 N 0.00 0.83 -2.40 0.99 5.85 -1.96 -2.90 115.31 115.72 1pyv h LEU 20 Ca 0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1pyv h LEU 20 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1pyv h LEU 20 CO 0.00 1.20 0.00 0.00 -0.34 0.00 0.00 178.44 179.30 1pyv n ILE 21 N -3.99 0.58 0.00 4.05 3.06 -1.26 -4.31 119.36 117.49 1pyv n ILE 21 Ca -0.04 -0.79 0.00 0.00 -2.50 0.00 0.00 62.75 59.42 1pyv n ILE 21 Cb 0.61 0.91 0.00 0.00 0.54 0.00 0.00 39.64 41.70 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 1.46 0.00 -0.83 9.51 2.88 -1.10 -4.42 113.62 121.13 1pyv n SER 22 Ca 0.19 0.77 -0.02 0.00 -1.33 0.00 0.00 58.87 58.48 1pyv n SER 22 Cb 0.59 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.73 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 -2.20 0.00 0.00 -1.46 1.85 -1.26 -4.71 116.66 108.88 1pyv n ARG 23 Ca 0.00 -0.76 0.00 0.00 -1.00 0.00 0.00 57.85 56.09 1pyv n ARG 23 Cb 0.00 0.16 0.00 0.00 -1.05 0.00 0.00 32.46 31.57 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 0.06 0.00 0.12 2.89 7.64 -1.26 -3.75 113.62 119.31 1pyv n SER 24 Ca -0.11 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.76 1pyv n SER 24 Cb 0.68 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.20 -3.43 -0.00 -1.88 -3.30 115.31 106.89 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 0.69 -0.10 1.23 -0.00 0.00 0.00 178.44 180.27 1pyv h GLY 26 N 2.87 -0.28 -1.97 0.83 0.00 -1.82 0.40 103.07 103.09 1pyv h GLY 26 Ca -0.01 0.10 0.57 0.00 0.00 0.00 0.00 47.33 48.00 1pyv h GLY 26 CO 0.09 -0.10 1.43 -2.01 0.00 0.00 0.00 176.54 175.95 1pyv n ASN 27 N -5.06 0.00 -3.01 0.19 5.15 -1.24 -1.22 115.26 110.07 1pyv n ASN 27 Ca -0.09 0.99 -0.15 0.00 -0.60 0.00 0.00 54.58 54.73 1pyv n ASN 27 Cb 0.24 -0.49 0.01 0.00 -0.53 0.00 0.00 39.78 39.00 1pyv n ASN 27 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1pyv n SER 28 N -3.91 -0.58 -0.28 1.20 2.88 -1.05 -4.98 113.62 106.90 1pyv n SER 28 Ca 0.44 -3.19 0.02 0.00 -1.33 0.00 0.00 58.87 54.81 1pyv n SER 28 Cb 2.03 0.37 0.09 0.00 -0.75 0.00 0.00 64.21 65.94 1pyv n SER 28 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1pyv h ILE 29 N 1.94 0.18 0.02 2.46 2.04 0.13 1.71 117.51 125.99 1pyv h ILE 29 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1pyv h ILE 29 Cb 1.00 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1pyv h ILE 29 CO 0.37 0.00 -0.01 1.55 0.00 0.00 0.00 178.15 180.06 1pyv h PRO 30 N -0.01 -0.02 -0.95 2.37 0.13 -1.88 0.12 132.00 131.76 1pyv h PRO 30 Ca 0.37 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.71 1pyv h PRO 30 Cb 0.59 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.54 1pyv h PRO 30 CO -0.82 -0.01 -0.16 1.17 -0.23 0.00 0.00 178.00 177.94 1pyv n LYS 31 N -2.19 -0.08 -0.13 0.86 3.00 -1.14 0.18 118.16 118.66 1pyv n LYS 31 Ca -0.00 1.47 -0.11 0.00 -0.00 0.00 0.00 58.31 59.66 1pyv n LYS 31 Cb 0.01 -2.23 -0.02 0.00 0.00 0.00 0.00 35.03 32.78 1pyv n LYS 31 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1pyv h SER 32 N 0.00 0.71 0.00 3.14 0.02 0.25 -1.81 113.55 115.85 1pyv h SER 32 Ca 0.49 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1pyv h SER 32 Cb 0.84 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1pyv h SER 32 CO -0.96 0.90 0.02 0.00 -1.14 0.00 0.00 176.83 175.65 1pyv h ALA 33 N 0.84 1.02 -0.01 3.77 0.00 0.47 1.69 119.26 127.04 1pyv h ALA 33 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pyv h ALA 33 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pyv h ALA 33 CO 0.03 -0.02 -0.45 0.43 0.00 0.00 0.00 179.25 179.25 1pyv n SER 34 N -2.48 1.91 -2.70 0.00 7.64 0.14 -4.54 113.62 113.60 1pyv n SER 34 Ca -0.02 -1.44 -0.07 0.00 1.01 0.00 0.00 58.87 58.35 1pyv n SER 34 Cb 0.06 0.43 0.09 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.09 0.90 0.00 1.43 0.63 0.31 -5.07 116.66 114.76 1pyv n ARG 35 Ca 0.10 -1.62 0.00 0.00 -0.92 0.00 0.00 57.85 55.41 1pyv n ARG 35 Cb 0.45 -0.46 0.00 0.00 0.45 0.00 0.00 32.46 32.90 1pyv n ARG 35 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pyv n ALA 36 N -0.07 0.18 -0.76 5.13 0.00 0.50 -4.78 120.51 120.71 1pyv n ALA 36 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.48 1pyv n ALA 36 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.19 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 -4.53 0.00 0.00 7.64 -1.26 -4.81 113.62 110.66 1pyv n SER 37 Ca 0.00 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1pyv n SER 37 Cb 0.00 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 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 -2.22 0.00 -0.28 6.43 7.64 -1.26 -2.81 113.62 121.11 1pyv n SER 38 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1pyv n SER 38 Cb 0.20 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.45 1pyv n SER 38 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pyv n ARG 39 N 0.00 0.64 0.00 1.43 1.74 -1.26 -4.67 116.66 114.54 1pyv n ARG 39 Ca 0.00 -1.64 0.06 0.00 -0.77 0.00 0.00 57.85 55.51 1pyv n ARG 39 Cb 0.00 -0.93 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 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 -0.60 3.62 -0.04 7.54 0.00 -1.12 -3.90 120.51 126.00 1pyv n ALA 40 Ca 0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 53.44 52.98 1pyv n ALA 40 Cb 0.65 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 19.51 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 0.21 0.03 0.50 0.00 0.02 -1.84 1.43 113.55 113.91 1pyv h SER 41 Ca 0.00 -0.75 -0.19 0.00 -0.84 0.00 0.00 61.79 60.01 1pyv h SER 41 Cb 0.33 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1pyv h SER 41 CO 0.00 0.78 -0.81 1.55 -1.14 0.00 0.00 176.83 177.21 1pyv h PRO 42 N -0.71 0.23 0.07 3.45 0.13 -1.89 -3.23 132.00 130.04 1pyv h PRO 42 Ca -0.00 -0.22 -0.29 0.00 -0.87 0.00 0.00 66.00 64.61 1pyv h PRO 42 Cb 0.79 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 1pyv h PRO 42 CO 0.01 0.92 -1.53 -0.22 -0.23 0.00 0.00 178.00 176.94 1pyv h LYS 43 N 0.14 0.15 -0.77 0.86 1.63 -1.68 -3.36 116.57 113.54 1pyv h LYS 43 Ca -0.04 -0.26 0.14 0.00 -0.85 0.00 0.00 60.65 59.64 1pyv h LYS 43 Cb 1.41 0.10 -0.14 0.00 -0.60 0.00 0.00 32.23 32.99 1pyv h LYS 43 CO 0.13 0.95 -0.31 0.78 -3.45 0.00 0.00 179.45 177.54 1pyv h GLY 44 N 2.29 0.14 -0.55 5.01 0.00 0.20 0.68 103.07 110.83 1pyv h GLY 44 Ca -0.23 0.41 0.33 0.00 0.00 0.00 0.00 47.33 47.84 1pyv h GLY 44 CO 0.13 -0.24 0.62 -2.75 0.00 0.00 0.00 176.54 174.31 1pyv h PHE 45 N -0.07 0.85 0.02 5.60 3.04 -1.71 1.88 116.94 126.55 1pyv h PHE 45 Ca 0.31 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 62.09 1pyv h PHE 45 Cb 0.58 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 1pyv h PHE 45 CO -0.71 -0.15 -0.93 1.25 -2.02 0.00 0.00 178.31 175.75 1pyv h LEU 46 N 0.31 0.17 -0.14 0.59 5.85 0.05 -3.12 115.31 119.03 1pyv h LEU 46 Ca 0.73 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 59.20 1pyv h LEU 46 Cb 1.77 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.75 1pyv h LEU 46 CO -0.54 1.01 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.21 1pyv h LEU 47 N 0.06 0.49 -1.03 2.25 3.38 0.42 -1.66 115.31 119.22 1pyv h LEU 47 Ca -0.04 -0.56 0.20 0.00 0.09 0.00 0.00 57.88 57.56 1pyv h LEU 47 Cb 1.60 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 42.10 1pyv h LEU 47 CO 0.14 0.96 0.61 0.78 0.09 0.00 0.00 178.44 181.02 1pyv h ASN 48 N 0.04 0.76 1.05 -0.43 2.35 0.20 0.80 115.58 120.34 1pyv h ASN 48 Ca 0.00 0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 1pyv h ASN 48 Cb 0.89 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 1pyv h ASN 48 CO 0.06 0.26 -0.56 0.03 -1.65 0.00 0.00 177.43 175.58 1pyv h ARG 49 N 0.73 0.00 -0.03 0.81 2.47 -1.46 -1.46 114.38 115.44 1pyv h ARG 49 Ca 0.58 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 59.17 1pyv h ARG 49 Cb 0.94 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 1pyv h ARG 49 CO -0.38 0.56 -0.60 0.00 0.56 0.00 0.00 179.97 180.11 1pyv h ALA 50 N 1.44 0.94 0.00 0.04 0.00 0.14 -2.66 119.26 119.16 1pyv h ALA 50 Ca -0.01 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1pyv h ALA 50 Cb 1.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1pyv h ALA 50 CO 0.07 0.73 -0.76 -0.24 0.00 0.00 0.00 179.25 179.06 1pyv h VAL 51 N 0.09 0.39 0.38 0.00 3.04 -0.36 -3.34 116.25 116.46 1pyv h VAL 51 Ca -0.01 -1.63 -0.02 0.00 -1.01 0.00 0.00 66.70 64.04 1pyv h VAL 51 Cb 1.07 2.02 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 1pyv h VAL 51 CO 0.08 0.22 -0.18 -0.61 -1.01 0.00 0.00 177.57 176.07 1pyv h GLN 52 N 0.00 -0.50 0.00 4.17 -0.00 -0.97 -3.51 115.11 114.31 1pyv h GLN 52 Ca -0.04 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1pyv h GLN 52 Cb 1.27 0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.86 1pyv h GLN 52 CO 0.03 -0.21 0.00 0.66 0.00 0.00 0.00 178.83 179.31