#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 2.28 0.25 0.00 3.41 -1.26 -4.38 113.62 113.92 1pyv n SER 2 Ca 0.00 -1.63 0.16 0.00 -0.26 0.00 0.00 58.87 57.14 1pyv n SER 2 Cb 0.00 -0.04 0.69 0.00 -0.26 0.00 0.00 64.21 64.61 1pyv n SER 2 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1pyv h ARG 3 N 2.69 0.00 0.06 4.33 2.47 -2.04 -2.38 114.38 119.52 1pyv h ARG 3 Ca 0.00 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 1pyv h ARG 3 Cb 0.60 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1pyv h ARG 3 CO 0.00 0.00 -1.08 0.00 0.56 0.00 0.00 179.97 179.45 1pyv h ARG 4 N 0.00 0.27 0.19 0.04 -0.00 -1.99 -2.88 114.38 110.00 1pyv h ARG 4 Ca 0.00 -0.37 -0.01 0.00 -0.50 0.00 0.00 59.98 59.10 1pyv h ARG 4 Cb 0.42 0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.51 1pyv h ARG 4 CO 0.00 1.12 -0.09 -0.07 0.00 0.00 0.00 179.97 180.93 1pyv h LEU 5 N 0.11 -0.21 -1.61 3.04 3.38 -1.71 0.46 115.31 118.76 1pyv h LEU 5 Ca -0.09 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.19 1pyv h LEU 5 Cb 1.77 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.50 1pyv h LEU 5 CO 0.17 -0.15 0.76 0.17 0.09 0.00 0.00 178.44 179.48 1pyv h LEU 6 N -0.25 0.26 0.47 1.67 8.10 -1.69 0.24 115.31 124.09 1pyv h LEU 6 Ca -0.03 0.06 -0.02 0.00 0.11 0.00 0.00 57.88 58.00 1pyv h LEU 6 Cb 0.19 0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.43 1pyv h LEU 6 CO 0.04 0.03 -0.22 0.00 -4.11 0.00 0.00 178.44 174.18 1pyv h ALA 7 N 1.54 -0.63 -0.48 0.17 0.00 -1.23 -1.84 119.26 116.79 1pyv h ALA 7 Ca 0.60 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.47 1pyv h ALA 7 Cb 1.89 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 1pyv h ALA 7 CO -0.20 -0.73 0.40 0.77 0.00 0.00 0.00 179.25 179.50 1pyv h SER 8 N -0.88 0.00 0.02 0.00 0.02 0.30 1.66 113.55 114.67 1pyv h SER 8 Ca -0.06 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.74 1pyv h SER 8 Cb 0.58 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1pyv h SER 8 CO 0.11 0.00 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.23 1pyv h LEU 9 N 0.00 0.60 0.02 5.07 3.38 -0.55 0.11 115.31 123.94 1pyv h LEU 9 Ca 0.23 -0.30 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1pyv h LEU 9 Cb 1.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1pyv h LEU 9 CO -0.00 0.99 -0.82 0.25 0.09 0.00 0.00 178.44 178.95 1pyv h LEU 10 N 0.43 0.08 -2.26 1.67 7.12 0.89 -2.42 115.31 120.82 1pyv h LEU 10 Ca 0.02 -0.76 0.01 0.00 0.13 0.00 0.00 57.88 57.28 1pyv h LEU 10 Cb 1.02 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.13 1pyv h LEU 10 CO 0.09 1.33 0.04 0.08 -0.13 0.00 0.00 178.44 179.86 1pyv h ARG 11 N -0.86 0.00 0.03 1.25 0.11 0.21 0.80 114.38 115.91 1pyv h ARG 11 Ca -0.21 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.61 1pyv h ARG 11 Cb 1.28 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.33 1pyv h ARG 11 CO -0.08 0.00 -1.41 0.37 0.10 0.00 0.00 179.97 178.95 1pyv h GLN 12 N 0.00 0.06 0.00 0.08 5.75 -0.88 -3.03 115.11 117.10 1pyv h GLN 12 Ca 0.02 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1pyv h GLN 12 Cb 0.11 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1pyv h GLN 12 CO -0.00 0.84 -0.18 0.66 -2.65 0.00 0.00 178.83 177.50 1pyv h SER 13 N 0.02 0.00 0.17 -0.69 4.64 -0.54 -3.04 113.55 114.11 1pyv h SER 13 Ca -0.17 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.84 1pyv h SER 13 Cb 1.92 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 64.05 1pyv h SER 13 CO 0.12 0.01 -1.31 0.00 -0.87 0.00 0.00 176.83 174.78 1pyv h ALA 14 N 1.99 -0.04 -0.00 5.18 0.00 0.46 -2.08 119.26 124.76 1pyv h ALA 14 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1pyv h ALA 14 Cb 1.01 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pyv h ALA 14 CO 0.00 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.95 1pyv n GLN 15 N -3.77 1.02 -0.38 0.00 10.64 -1.15 -3.13 117.38 120.61 1pyv n GLN 15 Ca -0.14 -0.02 0.05 0.00 -1.83 0.00 0.00 57.00 55.05 1pyv n GLN 15 Cb 1.02 -1.40 0.20 0.00 -0.86 0.00 0.00 30.24 29.20 1pyv n GLN 15 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1pyv n ARG 16 N -0.87 2.68 -3.95 2.61 1.74 -1.15 -4.93 116.66 112.79 1pyv n ARG 16 Ca 0.19 -1.58 -0.37 0.00 -0.77 0.00 0.00 57.85 55.32 1pyv n ARG 16 Cb 0.09 -1.71 0.01 0.00 -1.02 0.00 0.00 32.46 29.84 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 0.59 -0.85 0.00 -0.13 0.00 -1.18 -3.96 105.19 99.66 1pyv n GLY 17 Ca 0.14 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.86 1.42 1.48 -0.02 0.00 -1.26 -5.12 105.19 99.82 1pyv n GLY 18 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -4.58 0.10 -0.02 0.00 -0.79 -4.50 105.19 95.39 1pyv n GLY 19 Ca 0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 1.86 0.30 -1.73 0.99 3.38 -1.96 -3.26 115.31 114.90 1pyv h LEU 20 Ca 0.00 -0.97 0.00 0.00 0.09 0.00 0.00 57.88 57.00 1pyv h LEU 20 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1pyv h LEU 20 CO 0.00 1.26 0.00 0.00 0.09 0.00 0.00 178.44 179.79 1pyv n ILE 21 N -4.29 0.62 -0.25 1.22 0.13 -1.26 -3.85 119.36 111.67 1pyv n ILE 21 Ca -0.13 -0.62 -0.01 0.00 -1.10 0.00 0.00 62.75 60.89 1pyv n ILE 21 Cb 0.70 0.33 0.06 0.00 -0.84 0.00 0.00 39.64 39.89 1pyv n ILE 21 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 1pyv h SER 22 N 2.78 -0.91 0.00 9.51 0.87 -1.79 -3.37 113.55 120.64 1pyv h SER 22 Ca 0.00 0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1pyv h SER 22 Cb 0.63 0.53 -0.09 0.00 -0.44 0.00 0.00 62.40 63.03 1pyv h SER 22 CO 0.00 -0.27 -0.20 -2.11 -0.53 0.00 0.00 176.83 173.72 1pyv n ARG 23 N -5.48 0.00 -0.03 2.24 1.85 -1.26 -4.89 116.66 109.09 1pyv n ARG 23 Ca 0.08 -0.68 -0.01 0.00 -1.00 0.00 0.00 57.85 56.24 1pyv n ARG 23 Cb 0.38 0.45 -0.00 0.00 -1.05 0.00 0.00 32.46 32.23 1pyv n ARG 23 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1pyv h SER 24 N 0.00 0.00 1.43 2.89 0.87 -1.72 -3.33 113.55 113.69 1pyv h SER 24 Ca -0.39 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.07 1pyv h SER 24 Cb 1.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1pyv h SER 24 CO -0.20 0.29 -0.58 0.25 -0.53 0.00 0.00 176.83 176.06 1pyv h LEU 25 N -0.46 0.00 -1.61 2.23 7.12 -1.83 -3.16 115.31 117.60 1pyv h LEU 25 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1pyv h LEU 25 Cb 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.25 1pyv h LEU 25 CO 0.00 0.44 0.00 1.23 -0.13 0.00 0.00 178.44 179.98 1pyv h GLY 26 N 3.59 0.00 0.58 3.75 0.00 -1.80 0.10 103.07 109.30 1pyv h GLY 26 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1pyv h GLY 26 CO 0.05 0.00 -0.85 0.70 0.00 0.00 0.00 176.54 176.44 1pyv n ASN 27 N -2.62 0.67 0.00 0.19 4.13 -1.19 -3.76 115.26 112.68 1pyv n ASN 27 Ca -0.00 -0.41 0.11 0.00 1.68 0.00 0.00 54.58 55.96 1pyv n ASN 27 Cb 0.15 0.67 0.11 0.00 -1.54 0.00 0.00 39.78 39.17 1pyv n ASN 27 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1pyv n SER 28 N -1.70 0.67 0.04 6.41 7.64 0.31 -3.46 113.62 123.54 1pyv n SER 28 Ca 0.04 -0.49 -0.12 0.00 1.01 0.00 0.00 58.87 59.31 1pyv n SER 28 Cb 0.38 0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 64.04 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 0.00 1.03 0.00 0.44 1.08 -1.52 1.46 117.51 120.00 1pyv h ILE 29 Ca 0.00 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1pyv h ILE 29 Cb 0.52 1.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 1pyv h ILE 29 CO 0.00 0.25 0.00 -0.81 -0.69 0.00 0.00 178.15 176.90 1pyv n PRO 30 N -4.91 0.19 -0.18 2.37 -0.04 -1.26 -2.32 135.00 128.84 1pyv n PRO 30 Ca -0.08 0.28 0.04 0.00 -0.04 0.00 0.00 63.50 63.70 1pyv n PRO 30 Cb 0.27 -1.78 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.11 1.79 -2.65 0.54 4.81 -1.20 -4.85 118.16 114.50 1pyv n LYS 31 Ca 0.04 -0.98 -0.14 0.00 -0.87 0.00 0.00 58.31 56.36 1pyv n LYS 31 Cb 0.32 -1.34 0.02 0.00 0.02 0.00 0.00 35.03 34.04 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 0.25 -4.42 -1.84 3.14 7.64 -0.98 -2.89 113.62 114.52 1pyv n SER 32 Ca 0.09 -0.15 -0.07 0.00 1.01 0.00 0.00 58.87 59.75 1pyv n SER 32 Cb 0.31 -3.36 0.03 0.00 -1.01 0.00 0.00 64.21 60.18 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 -2.67 -0.68 -0.32 -0.43 0.00 0.50 -4.86 120.51 112.04 1pyv n ALA 33 Ca -0.09 0.02 0.29 0.00 0.00 0.00 0.00 53.44 53.67 1pyv n ALA 33 Cb 0.59 -1.52 0.52 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.38 0.22 0.00 0.00 2.88 -0.99 -4.45 113.62 109.91 1pyv n SER 34 Ca -0.08 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1pyv n SER 34 Cb 0.55 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 -4.56 0.00 -2.46 -1.46 1.74 -1.26 -5.13 116.66 103.52 1pyv n ARG 35 Ca 0.32 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.35 1pyv n ARG 35 Cb 1.17 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.57 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 -3.00 -3.53 0.04 7.54 0.00 -1.26 -5.00 120.51 115.31 1pyv n ALA 36 Ca 0.00 2.09 0.00 0.00 0.00 0.00 0.00 53.44 55.53 1pyv n ALA 36 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 19.45 15.33 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 1.56 -0.80 -0.02 0.00 2.88 -1.26 -4.95 113.62 111.03 1pyv n SER 37 Ca -0.36 0.47 -0.01 0.00 -1.33 0.00 0.00 58.87 57.64 1pyv n SER 37 Cb 0.55 1.06 -0.01 0.00 -0.75 0.00 0.00 64.21 65.07 1pyv n SER 37 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1pyv h SER 38 N 0.00 -0.16 -2.35 -3.46 0.02 -2.06 -3.34 113.55 102.19 1pyv h SER 38 Ca 0.00 0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 60.38 1pyv h SER 38 Cb 0.00 0.07 -0.39 0.00 0.14 0.00 0.00 62.40 62.21 1pyv h SER 38 CO 0.00 -0.03 -0.90 0.54 -1.14 0.00 0.00 176.83 175.29 1pyv n ARG 39 N -2.98 0.90 0.00 3.45 1.74 -1.26 -4.83 116.66 113.68 1pyv n ARG 39 Ca -0.00 -3.59 0.00 0.00 -0.77 0.00 0.00 57.85 53.49 1pyv n ARG 39 Cb 0.03 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 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 2.03 2.31 0.01 7.54 0.00 -1.26 -4.34 120.51 126.81 1pyv n ALA 40 Ca 0.26 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1pyv n ALA 40 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 1pyv n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pyv h SER 41 N 0.00 -0.12 0.52 0.00 0.87 -1.88 0.97 113.55 113.91 1pyv h SER 41 Ca 0.00 -0.45 -0.18 0.00 -1.23 0.00 0.00 61.79 59.92 1pyv h SER 41 Cb 0.01 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1pyv h SER 41 CO 0.00 0.52 -0.80 1.55 -0.53 0.00 0.00 176.83 177.56 1pyv h PRO 42 N -0.87 0.21 0.00 2.24 0.13 -1.97 -3.12 132.00 128.62 1pyv h PRO 42 Ca -0.01 -0.21 -0.10 0.00 -0.87 0.00 0.00 66.00 64.81 1pyv h PRO 42 Cb 0.56 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 1pyv h PRO 42 CO 0.02 0.91 -0.88 0.87 -0.23 0.00 0.00 178.00 178.69 1pyv h LYS 43 N 0.13 0.00 0.23 0.86 1.79 -1.76 -3.37 116.57 114.45 1pyv h LYS 43 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1pyv h LYS 43 Cb 1.40 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.02 1pyv h LYS 43 CO 0.12 0.29 -0.42 0.78 -1.08 0.00 0.00 179.45 179.15 1pyv h GLY 44 N 3.71 -1.17 -0.97 3.86 0.00 0.11 1.46 103.07 110.06 1pyv h GLY 44 Ca -0.06 0.59 0.41 0.00 0.00 0.00 0.00 47.33 48.27 1pyv h GLY 44 CO 0.04 -0.33 0.88 -2.75 0.00 0.00 0.00 176.54 174.38 1pyv h PHE 45 N -0.70 0.45 0.09 5.60 3.57 -1.72 2.05 116.94 126.28 1pyv h PHE 45 Ca -0.02 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 1pyv h PHE 45 Cb 0.65 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1pyv h PHE 45 CO -0.34 -0.12 -1.47 1.25 -2.23 0.00 0.00 178.31 175.40 1pyv h LEU 46 N 0.12 0.28 -0.94 0.59 6.46 -1.37 -3.08 115.31 117.38 1pyv h LEU 46 Ca 0.77 -0.39 -0.11 0.00 -0.12 0.00 0.00 57.88 58.03 1pyv h LEU 46 Cb 2.49 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 42.31 1pyv h LEU 46 CO -0.32 1.33 -0.53 -0.07 -0.62 0.00 0.00 178.44 178.23 1pyv h LEU 47 N 0.05 0.00 -0.52 2.25 -0.00 1.31 -2.25 115.31 116.16 1pyv h LEU 47 Ca -0.21 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.51 1pyv h LEU 47 Cb 1.98 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.63 1pyv h LEU 47 CO 0.15 0.53 -0.47 0.78 -0.00 0.00 0.00 178.44 179.42 1pyv h ASN 48 N 0.00 0.73 0.62 -0.43 4.21 0.25 -1.30 115.58 119.64 1pyv h ASN 48 Ca -0.01 -0.36 -0.07 0.00 1.21 0.00 0.00 56.30 57.07 1pyv h ASN 48 Cb 0.94 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 1pyv h ASN 48 CO 0.07 1.08 -0.35 -0.09 -1.29 0.00 0.00 177.43 176.86 1pyv h ARG 49 N 0.53 0.00 0.05 0.81 1.12 -1.39 -1.96 114.38 113.54 1pyv h ARG 49 Ca 0.03 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1pyv h ARG 49 Cb 1.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.98 1pyv h ARG 49 CO 0.10 0.35 -0.02 0.00 -3.11 0.00 0.00 179.97 177.28 1pyv h ALA 50 N 1.65 -0.07 0.00 2.80 0.00 -1.09 -2.73 119.26 119.82 1pyv h ALA 50 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1pyv h ALA 50 Cb 0.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1pyv h ALA 50 CO 0.05 -0.16 0.00 -0.24 0.00 0.00 0.00 179.25 178.90 1pyv h VAL 51 N -0.82 0.00 0.01 0.00 3.04 -1.18 -1.87 116.25 115.43 1pyv h VAL 51 Ca -0.01 -0.03 -0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1pyv h VAL 51 Cb 0.66 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1pyv h VAL 51 CO 0.01 0.00 -0.01 -0.61 -1.01 0.00 0.00 177.57 175.96 1pyv h GLN 52 N 0.00 -0.01 -0.01 4.17 -0.00 -1.24 -3.51 115.11 114.50 1pyv h GLN 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1pyv h GLN 52 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.53 1pyv h GLN 52 CO 0.00 0.79 0.00 2.48 0.00 0.00 0.00 178.83 182.10