#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 0.23 0.00 0.00 1.04 -1.26 -4.77 113.70 108.94 1pyv s SER 2 Ca 0.00 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1pyv s SER 2 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1pyv s SER 2 CO 0.00 -0.76 0.00 -1.14 0.98 0.00 0.00 173.24 172.32 1pyv n ARG 3 N -0.10 0.00 0.14 4.02 0.63 -1.26 -4.29 116.66 115.80 1pyv n ARG 3 Ca -0.08 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1pyv n ARG 3 Cb 0.63 0.00 0.45 0.00 0.45 0.00 0.00 32.46 33.99 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 0.00 0.20 0.00 -0.14 2.43 -2.02 -0.12 114.38 114.74 1pyv h ARG 4 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1pyv h ARG 4 Cb 0.00 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1pyv h ARG 4 CO 0.00 0.29 -0.09 1.25 -1.51 0.00 0.00 179.97 179.91 1pyv h LEU 5 N 0.20 0.00 -1.24 3.80 5.85 -1.86 -0.80 115.31 121.25 1pyv h LEU 5 Ca 0.04 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1pyv h LEU 5 Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1pyv h LEU 5 CO 0.01 0.09 -0.30 0.25 -0.34 0.00 0.00 178.44 178.15 1pyv h LEU 6 N 0.00 0.00 0.29 2.25 5.85 -1.35 -1.29 115.31 121.06 1pyv h LEU 6 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1pyv h LEU 6 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1pyv h LEU 6 CO 0.01 0.30 -0.14 0.00 -0.34 0.00 0.00 178.44 178.27 1pyv h ALA 7 N 1.70 -0.49 -0.82 1.25 0.00 -1.17 -1.90 119.26 117.83 1pyv h ALA 7 Ca -0.00 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.02 1pyv h ALA 7 Cb 0.71 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1pyv h ALA 7 CO 0.04 -0.46 0.56 1.03 0.00 0.00 0.00 179.25 180.42 1pyv h SER 8 N -0.85 0.24 0.01 0.00 0.87 -1.55 0.80 113.55 113.07 1pyv h SER 8 Ca -0.04 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 1pyv h SER 8 Cb 0.30 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1pyv h SER 8 CO 0.07 0.10 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.07 1pyv h LEU 9 N 0.24 0.47 0.08 2.23 3.38 -1.25 0.53 115.31 120.99 1pyv h LEU 9 Ca 0.41 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1pyv h LEU 9 Cb 1.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1pyv h LEU 9 CO -0.10 0.77 -0.04 0.25 0.09 0.00 0.00 178.44 179.41 1pyv h LEU 10 N 0.39 -0.09 0.09 1.67 7.12 0.13 -2.98 115.31 121.64 1pyv h LEU 10 Ca 0.05 -0.52 0.02 0.00 0.13 0.00 0.00 57.88 57.56 1pyv h LEU 10 Cb 0.77 0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.88 1pyv h LEU 10 CO 0.06 0.56 -0.32 0.03 -0.13 0.00 0.00 178.44 178.64 1pyv h ARG 11 N -0.83 -0.50 -0.59 1.25 3.08 -0.51 1.58 114.38 117.86 1pyv h ARG 11 Ca -0.01 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.24 1pyv h ARG 11 Cb 0.60 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1pyv h ARG 11 CO 0.02 -0.34 0.60 0.37 -1.07 0.00 0.00 179.97 179.55 1pyv h GLN 12 N -0.52 0.00 0.00 0.04 5.75 -1.00 1.17 115.11 120.55 1pyv h GLN 12 Ca 0.04 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 1pyv h GLN 12 Cb 0.57 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 1pyv h GLN 12 CO -0.21 0.00 -1.70 0.45 -2.65 0.00 0.00 178.83 174.72 1pyv n SER 13 N -3.72 0.42 -0.01 -0.69 2.88 0.39 -4.01 113.62 108.89 1pyv n SER 13 Ca 0.12 0.18 -0.17 0.00 -1.33 0.00 0.00 58.87 57.67 1pyv n SER 13 Cb 0.82 0.97 -0.10 0.00 -0.75 0.00 0.00 64.21 65.14 1pyv n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pyv h ALA 14 N 1.65 0.10 0.00 -1.46 0.00 1.05 -3.02 119.26 117.58 1pyv h ALA 14 Ca -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1pyv h ALA 14 Cb 1.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1pyv h ALA 14 CO 0.02 0.31 0.01 -0.56 0.00 0.00 0.00 179.25 179.03 1pyv h GLN 15 N -0.12 0.00 -1.65 0.00 3.07 -0.05 -1.91 115.11 114.46 1pyv h GLN 15 Ca -0.06 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.08 1pyv h GLN 15 Cb 1.22 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 28.37 1pyv h GLN 15 CO 0.10 0.00 -0.58 2.89 0.09 0.00 0.00 178.83 181.33 1pyv n ARG 16 N -2.91 3.38 0.28 0.06 1.85 -1.14 -4.82 116.66 113.36 1pyv n ARG 16 Ca -0.03 -4.48 0.14 0.00 -1.00 0.00 0.00 57.85 52.48 1pyv n ARG 16 Cb 0.07 -2.25 0.67 0.00 -1.05 0.00 0.00 32.46 29.89 1pyv n ARG 16 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1pyv h GLY 17 N 2.67 0.00 -0.88 2.89 0.00 -1.33 -2.51 103.07 103.90 1pyv h GLY 17 Ca 0.30 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.76 1pyv h GLY 17 CO 0.89 0.00 -0.36 0.61 0.00 0.00 0.00 176.54 177.68 1pyv n GLY 18 N -1.32 -1.87 0.00 4.60 0.00 -1.26 -4.92 105.19 100.42 1pyv n GLY 18 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.02 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 -1.39 0.24 2.40 -0.02 0.00 -0.95 -5.00 105.19 100.46 1pyv n GLY 19 Ca 0.08 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.53 0.00 0.99 4.32 -1.26 -4.53 117.00 114.99 1pyv n LEU 20 Ca 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 1pyv n LEU 20 Cb 0.00 -2.63 0.00 0.00 -1.62 0.00 0.00 43.42 39.17 1pyv n LEU 20 CO 0.00 -0.51 0.00 -0.38 -1.22 0.00 0.00 177.39 175.28 1pyv n ILE 21 N -3.13 0.00 0.00 -0.08 2.08 -1.26 -4.27 119.36 112.70 1pyv n ILE 21 Ca -0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.11 1pyv n ILE 21 Cb 0.63 -0.12 0.00 0.00 -0.75 0.00 0.00 39.64 39.40 1pyv n ILE 21 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1pyv n SER 22 N -2.03 0.00 -0.18 4.38 2.88 -1.26 -3.06 113.62 114.36 1pyv n SER 22 Ca 0.00 0.73 0.09 0.00 -1.33 0.00 0.00 58.87 58.36 1pyv n SER 22 Cb 0.00 -0.31 0.13 0.00 -0.75 0.00 0.00 64.21 63.28 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 -2.34 1.17 0.00 -1.46 1.85 -1.26 -4.46 116.66 110.17 1pyv n ARG 23 Ca 0.00 -2.49 0.00 0.00 -1.00 0.00 0.00 57.85 54.36 1pyv n ARG 23 Cb 0.00 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 1pyv n ARG 23 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1pyv n SER 24 N -1.25 0.00 0.10 2.89 2.88 -1.17 -4.16 113.62 112.90 1pyv n SER 24 Ca 0.15 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.81 1pyv n SER 24 Cb 0.66 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.56 1pyv n SER 24 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1pyv n LEU 25 N -0.59 0.68 0.00 2.46 -0.00 -1.26 -2.69 117.00 115.59 1pyv n LEU 25 Ca 0.00 0.58 0.08 0.00 -0.00 0.00 0.00 56.01 56.67 1pyv n LEU 25 Cb 0.00 -0.39 0.48 0.00 -0.00 0.00 0.00 43.42 43.51 1pyv n LEU 25 CO 0.00 -0.24 0.79 0.61 -0.00 0.00 0.00 177.39 178.55 1pyv n GLY 26 N 1.04 -0.95 0.26 -3.96 0.00 -1.22 -3.41 105.19 96.95 1pyv n GLY 26 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 0.24 -2.02 1.61 4.21 -1.67 -3.26 115.58 114.70 1pyv h ASN 27 Ca 0.00 -0.03 -0.53 0.00 1.21 0.00 0.00 56.30 56.94 1pyv h ASN 27 Cb 0.00 -0.06 -0.40 0.00 -1.12 0.00 0.00 38.32 36.74 1pyv h ASN 27 CO 0.00 0.32 -1.11 -1.20 -1.29 0.00 0.00 177.43 174.15 1pyv n SER 28 N -4.35 0.69 -0.07 5.81 7.64 -1.22 -4.93 113.62 117.20 1pyv n SER 28 Ca -0.00 -2.87 -0.11 0.00 1.01 0.00 0.00 58.87 56.89 1pyv n SER 28 Cb 0.20 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 62.67 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 1.69 1.36 0.00 0.44 2.04 -1.74 -1.33 117.51 119.97 1pyv h ILE 29 Ca 0.09 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.90 1pyv h ILE 29 Cb 0.89 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1pyv h ILE 29 CO 0.50 0.46 0.00 -0.81 0.00 0.00 0.00 178.15 178.30 1pyv n PRO 30 N -4.63 0.56 -0.69 2.37 -0.04 -1.26 -2.44 135.00 128.87 1pyv n PRO 30 Ca -0.09 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.46 1pyv n PRO 30 Cb 0.39 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.13 4.01 -3.02 0.54 5.02 -1.24 -4.87 118.16 117.48 1pyv n LYS 31 Ca 0.15 -2.50 -0.22 0.00 -2.02 0.00 0.00 58.31 53.72 1pyv n LYS 31 Cb 0.13 -2.07 0.04 0.00 -0.02 0.00 0.00 35.03 33.10 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 0.55 -6.03 -3.90 4.39 7.64 -1.02 -1.50 113.62 113.75 1pyv n SER 32 Ca 0.22 -0.29 -0.29 0.00 1.01 0.00 0.00 58.87 59.52 1pyv n SER 32 Cb 0.98 -4.84 0.03 0.00 -1.01 0.00 0.00 64.21 59.36 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 -3.57 -1.36 0.27 -0.43 0.00 -0.50 -4.80 120.51 110.12 1pyv n ALA 33 Ca -0.11 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1pyv n ALA 33 Cb 0.62 -4.22 0.65 0.00 0.00 0.00 0.00 19.45 16.49 1pyv n ALA 33 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1pyv h SER 34 N -2.07 0.00 -1.66 0.00 0.02 -1.38 -2.40 113.55 106.06 1pyv h SER 34 Ca -0.58 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 59.67 1pyv h SER 34 Cb 1.37 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.60 1pyv h SER 34 CO 0.66 0.00 0.50 -1.14 -1.14 0.00 0.00 176.83 175.71 1pyv n ARG 35 N -2.43 2.96 0.00 3.45 0.00 -1.26 -4.79 116.66 114.58 1pyv n ARG 35 Ca -0.00 -3.76 0.00 0.00 -0.00 0.00 0.00 57.85 54.08 1pyv n ARG 35 Cb 0.12 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.31 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 -0.59 0.00 -3.30 5.13 0.00 -0.91 -4.94 120.51 115.89 1pyv n ALA 36 Ca 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.81 1pyv n ALA 36 Cb 0.44 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.94 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 -6.65 0.00 0.00 7.64 -1.22 -4.73 113.62 108.66 1pyv n SER 37 Ca 0.00 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.27 1pyv n SER 37 Cb 0.00 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.45 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 -2.70 0.00 -2.06 6.43 2.88 -1.26 -4.96 113.62 111.94 1pyv n SER 38 Ca -0.07 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.49 1pyv n SER 38 Cb 0.59 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.08 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 0.77 0.00 -1.46 3.00 -1.26 -4.79 116.66 112.92 1pyv n ARG 39 Ca 0.00 -2.45 0.00 0.00 -0.01 0.00 0.00 57.85 55.39 1pyv n ARG 39 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 32.46 31.90 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 -0.11 1.34 -0.07 7.54 0.00 -1.26 -4.60 120.51 123.35 1pyv n ALA 40 Ca 0.02 -0.54 -0.14 0.00 0.00 0.00 0.00 53.44 52.78 1pyv n ALA 40 Cb 0.96 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.28 1pyv n ALA 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pyv h SER 41 N 0.00 0.00 0.42 0.00 4.64 -1.97 0.51 113.55 117.15 1pyv h SER 41 Ca 0.00 -0.98 -0.20 0.00 -0.47 0.00 0.00 61.79 60.14 1pyv h SER 41 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1pyv h SER 41 CO 0.00 1.02 -0.83 1.55 -0.87 0.00 0.00 176.83 177.69 1pyv h PRO 42 N -1.00 0.31 0.09 4.77 0.13 -1.94 -3.25 132.00 131.10 1pyv h PRO 42 Ca -0.01 -0.30 -0.30 0.00 -0.87 0.00 0.00 66.00 64.52 1pyv h PRO 42 Cb 1.01 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1pyv h PRO 42 CO -0.01 0.98 -1.57 0.87 -0.23 0.00 0.00 178.00 178.05 1pyv h LYS 43 N 0.19 0.19 -0.95 0.86 1.57 -1.81 -3.36 116.57 113.25 1pyv h LYS 43 Ca -0.05 -0.32 0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1pyv h LYS 43 Cb 1.44 0.12 -0.16 0.00 0.08 0.00 0.00 32.23 33.71 1pyv h LYS 43 CO 0.14 1.01 -0.38 0.78 -0.57 0.00 0.00 179.45 180.42 1pyv h GLY 44 N 2.04 0.07 -0.73 3.86 0.00 0.00 1.27 103.07 109.59 1pyv h GLY 44 Ca -0.25 0.51 0.37 0.00 0.00 0.00 0.00 47.33 47.96 1pyv h GLY 44 CO 0.14 -0.21 0.79 -2.75 0.00 0.00 0.00 176.54 174.50 1pyv h PHE 45 N -0.02 0.55 0.04 5.60 3.04 -1.71 2.06 116.94 126.50 1pyv h PHE 45 Ca 0.34 0.02 -0.25 0.00 3.98 0.00 0.00 57.97 62.06 1pyv h PHE 45 Cb 0.60 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 1pyv h PHE 45 CO -0.85 -0.10 -1.28 1.25 -2.02 0.00 0.00 178.31 175.32 1pyv h LEU 46 N 0.19 0.14 -0.58 0.59 5.85 0.13 -3.13 115.31 118.50 1pyv h LEU 46 Ca 0.73 -0.18 -0.16 0.00 0.84 0.00 0.00 57.88 59.12 1pyv h LEU 46 Cb 2.17 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 43.15 1pyv h LEU 46 CO -0.36 1.14 -0.64 -0.07 -0.34 0.00 0.00 178.44 178.17 1pyv h LEU 47 N 0.02 0.31 -0.65 2.25 -0.00 0.48 -2.69 115.31 115.03 1pyv h LEU 47 Ca -0.13 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.88 57.52 1pyv h LEU 47 Cb 1.89 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 42.44 1pyv h LEU 47 CO 0.14 0.87 0.21 -1.13 -0.00 0.00 0.00 178.44 178.52 1pyv h ASN 48 N 0.19 0.95 -0.43 -0.43 -1.24 0.25 -2.30 115.58 112.57 1pyv h ASN 48 Ca -0.01 -0.21 -0.05 0.00 0.71 0.00 0.00 56.30 56.75 1pyv h ASN 48 Cb 1.17 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.95 1pyv h ASN 48 CO 0.10 0.90 0.12 0.03 -1.29 0.00 0.00 177.43 177.29 1pyv h ARG 49 N 0.94 0.75 -0.37 6.67 3.08 -1.47 -0.73 114.38 123.26 1pyv h ARG 49 Ca 0.21 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 60.18 1pyv h ARG 49 Cb 0.29 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1pyv h ARG 49 CO -0.01 0.68 0.25 0.00 -1.07 0.00 0.00 179.97 179.82 1pyv h ALA 50 N 1.40 2.06 0.23 0.04 0.00 -1.08 0.06 119.26 121.96 1pyv h ALA 50 Ca 0.16 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.72 1pyv h ALA 50 Cb 0.27 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.04 1pyv h ALA 50 CO -0.00 -0.13 -1.53 0.28 0.00 0.00 0.00 179.25 177.87 1pyv h VAL 51 N 0.23 1.22 0.31 0.00 2.07 -1.07 -3.34 116.25 115.66 1pyv h VAL 51 Ca 0.16 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1pyv h VAL 51 Cb 0.36 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 1pyv h VAL 51 CO -0.03 0.83 -0.39 1.56 0.02 0.00 0.00 177.57 179.56 1pyv h GLN 52 N 0.13 -0.72 -0.01 1.57 4.20 0.25 -3.52 115.11 117.01 1pyv h GLN 52 Ca -0.27 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1pyv h GLN 52 Cb 2.14 0.16 0.00 0.00 0.30 0.00 0.00 27.48 30.08 1pyv h GLN 52 CO 0.25 -0.48 0.00 0.66 -0.67 0.00 0.00 178.83 178.59