#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 5.26 0.00 0.00 1.04 -1.26 -4.14 113.70 114.60 1pyv s SER 2 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1pyv s SER 2 Cb 0.00 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.43 1pyv s SER 2 CO 0.00 0.28 0.00 -1.14 0.98 0.00 0.00 173.24 173.36 1pyv n ARG 3 N 2.81 0.00 -0.28 4.02 0.63 -1.26 -4.39 116.66 118.19 1pyv n ARG 3 Ca -0.18 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 56.94 1pyv n ARG 3 Cb 0.53 0.00 0.48 0.00 0.45 0.00 0.00 32.46 33.92 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 0.46 0.00 -0.14 2.43 -1.98 0.43 114.38 115.57 1pyv h ARG 4 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1pyv h ARG 4 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1pyv h ARG 4 CO 0.00 0.30 0.00 -0.11 -1.51 0.00 0.00 179.97 178.65 1pyv n LEU 5 N -4.57 0.00 -0.11 3.80 -0.00 -1.26 0.12 117.00 114.98 1pyv n LEU 5 Ca 0.21 0.73 0.27 0.00 -0.00 0.00 0.00 56.01 57.21 1pyv n LEU 5 Cb 0.70 -0.23 0.62 0.00 -0.00 0.00 0.00 43.42 44.51 1pyv n LEU 5 CO 0.28 -0.23 1.24 0.17 -0.00 0.00 0.00 177.39 178.86 1pyv h LEU 6 N 0.00 0.00 0.32 -1.96 8.10 -1.81 1.25 115.31 121.21 1pyv h LEU 6 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1pyv h LEU 6 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1pyv h LEU 6 CO 0.00 0.00 -0.15 0.00 -4.11 0.00 0.00 178.44 174.18 1pyv h ALA 7 N 1.05 -0.57 0.00 0.17 0.00 -0.23 -1.47 119.26 118.22 1pyv h ALA 7 Ca 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1pyv h ALA 7 Cb 2.10 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 20.06 1pyv h ALA 7 CO -0.00 -0.53 -0.09 1.03 0.00 0.00 0.00 179.25 179.65 1pyv h SER 8 N -0.80 0.00 0.66 0.00 0.87 0.36 1.00 113.55 115.64 1pyv h SER 8 Ca -0.04 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 1pyv h SER 8 Cb 0.33 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1pyv h SER 8 CO 0.07 0.09 -0.28 0.25 -0.53 0.00 0.00 176.83 176.44 1pyv h LEU 9 N 0.00 0.00 0.20 2.23 5.85 0.14 -0.85 115.31 122.89 1pyv h LEU 9 Ca -0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.38 1pyv h LEU 9 Cb 0.17 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.22 1pyv h LEU 9 CO 0.01 0.28 -1.59 0.25 -0.34 0.00 0.00 178.44 177.05 1pyv h LEU 10 N 0.00 0.68 -0.04 2.25 7.12 0.24 -3.10 115.31 122.46 1pyv h LEU 10 Ca -0.00 -0.93 -0.00 0.00 0.13 0.00 0.00 57.88 57.08 1pyv h LEU 10 Cb 0.68 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.59 1pyv h LEU 10 CO 0.04 1.74 0.02 0.03 -0.13 0.00 0.00 178.44 180.13 1pyv h ARG 11 N 0.06 0.05 -0.02 1.25 3.08 -0.84 1.45 114.38 119.42 1pyv h ARG 11 Ca -0.30 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.75 1pyv h ARG 11 Cb 2.08 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 32.12 1pyv h ARG 11 CO 0.20 0.10 0.01 0.37 -1.07 0.00 0.00 179.97 179.59 1pyv h GLN 12 N -0.01 0.00 0.00 0.04 5.75 -1.29 -1.44 115.11 118.16 1pyv h GLN 12 Ca 0.01 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1pyv h GLN 12 Cb 0.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1pyv h GLN 12 CO -0.00 0.00 -0.34 1.03 -2.65 0.00 0.00 178.83 176.87 1pyv h SER 13 N 0.00 0.00 -1.32 -0.69 0.87 -1.26 -1.17 113.55 109.97 1pyv h SER 13 Ca 0.01 -0.40 0.40 0.00 -1.23 0.00 0.00 61.79 60.57 1pyv h SER 13 Cb 0.04 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.90 1pyv h SER 13 CO -0.00 0.89 0.89 0.00 -0.53 0.00 0.00 176.83 178.08 1pyv h ALA 14 N -0.60 2.86 0.05 6.23 0.00 0.22 1.49 119.26 129.51 1pyv h ALA 14 Ca -0.07 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1pyv h ALA 14 Cb 0.64 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1pyv h ALA 14 CO -0.04 -1.37 -1.52 -0.56 0.00 0.00 0.00 179.25 175.76 1pyv h GLN 15 N 0.13 0.11 0.00 0.00 3.07 -1.37 -3.49 115.11 113.56 1pyv h GLN 15 Ca 0.74 -0.19 0.00 0.00 0.09 0.00 0.00 58.65 59.29 1pyv h GLN 15 Cb 2.44 0.07 0.00 0.00 0.08 0.00 0.00 27.48 30.07 1pyv h GLN 15 CO -0.25 0.88 0.00 0.54 0.09 0.00 0.00 178.83 180.09 1pyv n ARG 16 N -3.29 0.00 -1.55 0.06 3.00 0.51 -4.99 116.66 110.39 1pyv n ARG 16 Ca -0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.61 1pyv n ARG 16 Cb 1.02 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.46 1pyv n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pyv n GLY 17 N 0.00 0.51 3.08 -0.13 0.00 -0.54 -3.15 105.19 104.96 1pyv n GLY 17 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.30 0.09 3.24 -0.02 0.00 -1.26 -4.56 105.19 102.38 1pyv n GLY 18 Ca -0.09 0.55 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 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 0.48 1.74 0.00 -0.02 0.00 -1.19 -4.11 105.19 102.10 1pyv n GLY 19 Ca -0.04 -1.09 0.06 0.00 0.00 0.00 0.00 46.02 44.95 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 7.93 0.12 -0.01 0.99 4.77 -1.26 -4.42 117.00 125.13 1pyv n LEU 20 Ca 0.47 -0.11 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 1pyv n LEU 20 Cb 0.39 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.32 1pyv n LEU 20 CO 1.08 0.03 -0.76 -0.38 -1.33 0.00 0.00 177.39 176.04 1pyv n ILE 21 N -1.80 0.00 0.33 -0.08 -0.00 -1.26 -3.22 119.36 113.33 1pyv n ILE 21 Ca -0.01 -0.49 0.20 0.00 -0.00 0.00 0.00 62.75 62.44 1pyv n ILE 21 Cb 0.30 0.01 1.07 0.00 -0.00 0.00 0.00 39.64 41.02 1pyv n ILE 21 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 1pyv h SER 22 N 0.00 0.00 0.00 4.38 0.02 -1.88 -2.39 113.55 113.68 1pyv h SER 22 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1pyv h SER 22 Cb 0.99 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1pyv h SER 22 CO 0.00 0.00 -1.64 -1.14 -1.14 0.00 0.00 176.83 172.91 1pyv n ARG 23 N -3.11 0.26 0.00 3.45 0.63 -1.26 -4.13 116.66 112.51 1pyv n ARG 23 Ca -0.02 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1pyv n ARG 23 Cb 0.18 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 31.99 1pyv n ARG 23 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1pyv n SER 24 N -3.10 0.00 0.28 6.15 2.88 -1.08 -0.64 113.62 118.11 1pyv n SER 24 Ca -0.21 0.57 0.17 0.00 -1.33 0.00 0.00 58.87 58.08 1pyv n SER 24 Cb 0.69 -0.07 0.95 0.00 -0.75 0.00 0.00 64.21 65.03 1pyv n SER 24 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1pyv h LEU 25 N 0.00 0.00 -1.07 2.46 -0.00 -1.73 -0.65 115.31 114.32 1pyv h LEU 25 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.93 1pyv h LEU 25 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.60 1pyv h LEU 25 CO 0.00 0.00 0.63 1.23 -0.00 0.00 0.00 178.44 180.30 1pyv h GLY 26 N 0.00 1.41 2.00 0.83 0.00 -1.33 0.50 103.07 106.47 1pyv h GLY 26 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1pyv h GLY 26 CO -0.00 0.38 0.00 -2.01 0.00 0.00 0.00 176.54 174.91 1pyv n ASN 27 N -4.46 0.47 0.01 0.19 2.85 0.19 -2.51 115.26 112.00 1pyv n ASN 27 Ca 0.14 0.56 0.11 0.00 -0.11 0.00 0.00 54.58 55.27 1pyv n ASN 27 Cb 0.13 -0.68 -0.05 0.00 1.24 0.00 0.00 39.78 40.43 1pyv n ASN 27 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1pyv n SER 28 N -1.96 0.66 0.03 1.20 3.41 0.73 -4.10 113.62 113.60 1pyv n SER 28 Ca 0.05 -0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 58.06 1pyv n SER 28 Cb 0.36 1.02 -0.04 0.00 -0.26 0.00 0.00 64.21 65.29 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 0.65 0.00 -1.33 2.04 0.11 0.14 117.51 119.12 1pyv h ILE 29 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1pyv h ILE 29 Cb 0.66 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1pyv h ILE 29 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.34 1pyv n PRO 30 N -5.27 0.12 -0.10 2.37 -0.04 -1.26 -2.31 135.00 128.52 1pyv n PRO 30 Ca -0.04 0.23 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1pyv n PRO 30 Cb 0.19 -1.68 0.10 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.90 1.45 -2.79 0.54 4.81 -0.16 -4.85 118.16 115.26 1pyv n LYS 31 Ca 0.04 -0.69 -0.13 0.00 -0.87 0.00 0.00 58.31 56.67 1pyv n LYS 31 Cb 0.29 -1.16 0.03 0.00 0.02 0.00 0.00 35.03 34.21 1pyv n LYS 31 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1pyv n SER 32 N 0.06 -4.21 -2.72 3.14 2.88 -0.98 -2.78 113.62 109.01 1pyv n SER 32 Ca 0.07 -0.19 -0.15 0.00 -1.33 0.00 0.00 58.87 57.26 1pyv n SER 32 Cb 0.17 -3.02 0.06 0.00 -0.75 0.00 0.00 64.21 60.67 1pyv n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pyv n ALA 33 N -3.05 -1.11 -0.86 -1.46 0.00 0.33 -4.95 120.51 109.42 1pyv n ALA 33 Ca -0.05 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1pyv n ALA 33 Cb 0.56 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.66 1pyv n ALA 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pyv n SER 34 N -2.00 0.00 0.00 0.00 3.41 -1.12 -3.96 113.62 109.95 1pyv n SER 34 Ca -0.07 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1pyv n SER 34 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1pyv n SER 34 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1pyv n ARG 35 N -0.38 0.00 -3.59 4.33 0.63 -1.26 -4.93 116.66 111.46 1pyv n ARG 35 Ca 0.00 0.07 -0.35 0.00 -0.92 0.00 0.00 57.85 56.65 1pyv n ARG 35 Cb 0.00 -0.95 0.03 0.00 0.45 0.00 0.00 32.46 31.99 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 -0.70 -2.45 -3.61 5.13 0.00 -1.25 -4.97 120.51 112.66 1pyv n ALA 36 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 1pyv n ALA 36 Cb 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 1pyv n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pyv s SER 37 N -1.93 -0.23 0.00 0.00 0.01 -1.26 -4.86 113.70 105.43 1pyv s SER 37 Ca 0.27 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1pyv s SER 37 Cb -0.03 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1pyv s SER 37 CO 0.88 -0.59 0.00 -0.24 0.41 0.00 0.00 173.24 173.70 1pyv n SER 38 N -0.32 0.00 -2.56 2.44 2.88 -1.26 -3.58 113.62 111.22 1pyv n SER 38 Ca -0.06 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.35 1pyv n SER 38 Cb 0.61 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.10 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 2.22 0.00 -1.46 1.74 -1.26 -4.72 116.66 113.18 1pyv n ARG 39 Ca 0.00 -3.74 0.02 0.00 -0.77 0.00 0.00 57.85 53.36 1pyv n ARG 39 Cb 0.00 -1.74 0.01 0.00 -1.02 0.00 0.00 32.46 29.71 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 -0.43 2.49 0.02 7.54 0.00 -1.23 -4.35 120.51 124.55 1pyv n ALA 40 Ca 0.21 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 1pyv n ALA 40 Cb 0.81 -0.11 -0.09 0.00 0.00 0.00 0.00 19.45 20.07 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 0.60 -0.11 0.47 0.00 0.87 -1.89 1.47 113.55 114.95 1pyv h SER 41 Ca 0.00 -0.46 -0.19 0.00 -1.23 0.00 0.00 61.79 59.91 1pyv h SER 41 Cb 0.13 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1pyv h SER 41 CO 0.00 0.47 -0.82 1.55 -0.53 0.00 0.00 176.83 177.50 1pyv h PRO 42 N -0.75 0.26 0.00 2.24 0.13 -1.95 -3.11 132.00 128.83 1pyv h PRO 42 Ca -0.01 -0.26 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1pyv h PRO 42 Cb 0.57 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1pyv h PRO 42 CO 0.02 0.95 -0.72 0.87 -0.23 0.00 0.00 178.00 178.89 1pyv h LYS 43 N 0.16 0.00 0.37 0.86 1.79 -1.76 -3.36 116.57 114.64 1pyv h LYS 43 Ca -0.04 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1pyv h LYS 43 Cb 1.42 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.05 1pyv h LYS 43 CO 0.13 0.15 -0.39 0.78 -1.08 0.00 0.00 179.45 179.04 1pyv h GLY 44 N 3.85 -0.92 -0.21 3.86 0.00 0.21 1.54 103.07 111.40 1pyv h GLY 44 Ca -0.03 0.45 0.27 0.00 0.00 0.00 0.00 47.33 48.02 1pyv h GLY 44 CO 0.02 -0.31 0.65 -2.75 0.00 0.00 0.00 176.54 174.14 1pyv h PHE 45 N -0.79 0.80 0.00 5.60 3.04 -1.70 1.80 116.94 125.69 1pyv h PHE 45 Ca -0.03 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1pyv h PHE 45 Cb 0.71 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 1pyv h PHE 45 CO -0.22 0.04 -0.66 1.25 -2.02 0.00 0.00 178.31 176.69 1pyv h LEU 46 N 0.45 0.00 0.00 0.59 5.85 -1.51 -2.79 115.31 117.90 1pyv h LEU 46 Ca 0.63 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.27 1pyv h LEU 46 Cb 1.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 1pyv h LEU 46 CO -0.39 0.22 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.37 1pyv h LEU 47 N 0.00 0.00 0.00 2.25 -0.00 1.16 -2.96 115.31 115.76 1pyv h LEU 47 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.68 1pyv h LEU 47 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.83 1pyv h LEU 47 CO 0.02 0.38 -1.08 -1.13 -0.00 0.00 0.00 178.44 176.63 1pyv h ASN 48 N 0.00 0.00 1.68 -0.43 -1.24 0.21 -3.24 115.58 112.56 1pyv h ASN 48 Ca -0.02 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 1pyv h ASN 48 Cb 1.30 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.35 1pyv h ASN 48 CO 0.05 0.69 -0.01 0.08 -1.29 0.00 0.00 177.43 176.95 1pyv h ARG 49 N 0.00 0.00 -0.01 6.67 -0.00 -1.47 -2.07 114.38 117.50 1pyv h ARG 49 Ca -0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.73 1pyv h ARG 49 Cb 1.61 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.57 1pyv h ARG 49 CO 0.07 0.01 -0.70 0.00 -0.00 0.00 0.00 179.97 179.35 1pyv h ALA 50 N 1.99 0.82 0.02 0.08 0.00 -1.54 -1.32 119.26 119.31 1pyv h ALA 50 Ca -0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 54.91 54.02 1pyv h ALA 50 Cb 0.85 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1pyv h ALA 50 CO 0.00 0.85 -1.39 -0.24 0.00 0.00 0.00 179.25 178.47 1pyv h VAL 51 N 0.04 1.25 0.36 0.00 3.04 -1.61 -3.35 116.25 115.99 1pyv h VAL 51 Ca -0.01 -3.01 -0.02 0.00 -1.01 0.00 0.00 66.70 62.65 1pyv h VAL 51 Cb 1.23 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 33.17 1pyv h VAL 51 CO 0.10 0.75 -0.17 -0.61 -1.01 0.00 0.00 177.57 176.62 1pyv h GLN 52 N 0.01 -0.47 -0.01 4.17 5.75 -1.27 -3.52 115.11 119.77 1pyv h GLN 52 Ca -0.17 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 1pyv h GLN 52 Cb 1.91 0.11 0.00 0.00 1.07 0.00 0.00 27.48 30.57 1pyv h GLN 52 CO 0.11 -0.15 0.00 0.66 -2.65 0.00 0.00 178.83 176.80