#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuj s LYS 11 N 0.00 4.57 -0.08 -0.52 1.02 -1.26 -5.00 119.74 118.47 1yuj s LYS 11 Ca 0.00 1.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.86 1yuj s LYS 11 Cb 0.00 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1yuj s LYS 11 CO 0.00 0.57 1.53 0.00 -0.92 0.00 0.00 175.35 176.53 1yuj s ALA 12 N -1.13 3.63 -0.22 5.17 0.00 -1.26 -4.96 121.76 122.98 1yuj s ALA 12 Ca 0.36 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.88 1yuj s ALA 12 Cb -0.23 -3.70 -0.01 0.00 0.00 0.00 0.00 23.12 19.17 1yuj s ALA 12 CO 0.26 -1.31 0.79 0.21 0.00 0.00 0.00 175.76 175.71 1yuj s LYS 13 N 3.81 4.20 -0.85 0.00 2.20 -1.26 -4.99 119.74 122.86 1yuj s LYS 13 Ca 0.68 0.89 -0.21 0.00 -0.36 0.00 0.00 55.97 56.97 1yuj s LYS 13 Cb -0.30 -3.62 0.10 0.00 -1.51 0.00 0.00 37.83 32.49 1yuj s LYS 13 CO 0.25 -0.44 1.13 1.03 -0.36 0.00 0.00 175.35 176.96 1yuj s ARG 14 N 2.58 3.43 -0.23 4.03 0.52 -1.26 -4.99 118.95 123.03 1yuj s ARG 14 Ca 0.34 -1.31 -0.17 0.00 -0.52 0.00 0.00 55.73 54.07 1yuj s ARG 14 Cb -0.16 -4.74 -0.03 0.00 0.52 0.00 0.00 34.95 30.54 1yuj s ARG 14 CO 0.09 -1.87 0.46 0.00 0.02 0.00 0.00 175.30 174.00 1yuj s ALA 15 N 3.59 3.56 -1.16 2.13 0.00 -1.26 -4.93 121.76 123.70 1yuj s ALA 15 Ca 0.31 -0.55 0.12 0.00 0.00 0.00 0.00 51.96 51.84 1yuj s ALA 15 Cb -0.08 -2.77 0.50 0.00 0.00 0.00 0.00 23.12 20.77 1yuj s ALA 15 CO -0.02 -0.51 1.35 1.63 0.00 0.00 0.00 175.76 178.20 1yuj n LYS 16 N 4.97 2.96 0.07 0.00 5.02 -1.26 -4.27 118.16 125.65 1yuj n LYS 16 Ca -0.06 -1.96 -0.10 0.00 -2.02 0.00 0.00 58.31 54.18 1yuj n LYS 16 Cb 0.50 -1.74 -0.13 0.00 -0.02 0.00 0.00 35.03 33.65 1yuj n LYS 16 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1yuj h HIS 17 N 2.76 0.14 -3.04 2.13 2.76 -2.02 -3.47 115.15 114.40 1yuj h HIS 17 Ca 0.00 -0.10 -0.58 0.00 -2.20 0.00 0.00 60.37 57.49 1yuj h HIS 17 Cb 1.12 -0.01 0.15 0.00 1.55 0.00 0.00 27.41 30.23 1yuj h HIS 17 CO 0.56 1.08 -0.03 -2.30 -1.30 0.00 0.00 177.93 175.94 1yuj n PRO 18 N -3.39 0.99 -1.87 5.26 -0.02 -1.26 -4.99 135.00 129.72 1yuj n PRO 18 Ca -0.03 0.36 -0.29 0.00 -2.02 0.00 0.00 63.50 61.52 1yuj n PRO 18 Cb 0.97 -1.93 0.14 0.00 -0.02 0.00 0.00 33.50 32.66 1yuj n PRO 18 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yuj s PRO 19 N -2.11 1.17 -0.69 0.52 0.04 -1.26 -4.36 135.00 128.31 1yuj s PRO 19 Ca 0.67 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1yuj s PRO 19 Cb -0.52 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1yuj s PRO 19 CO 0.54 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.90 1yuj n GLY 20 N -3.41 0.15 3.44 0.56 0.00 -1.26 -4.95 105.19 99.72 1yuj n GLY 20 Ca 0.12 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 1yuj n GLY 20 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yuj s THR 21 N -2.38 4.92 0.23 2.61 -1.32 -1.26 -5.01 115.64 113.43 1yuj s THR 21 Ca 0.00 -1.94 -0.30 0.00 -1.21 0.00 0.00 61.69 58.24 1yuj s THR 21 Cb 0.00 -4.77 -0.09 0.00 -1.51 0.00 0.00 72.50 66.13 1yuj s THR 21 CO 0.00 -1.47 0.93 -1.61 -2.21 0.00 0.00 174.62 170.26 1yuj s GLU 22 N 2.08 4.83 -0.40 7.08 2.02 -1.26 -5.01 118.70 128.04 1yuj s GLU 22 Ca 0.33 1.47 -0.21 0.00 0.02 0.00 0.00 54.97 56.58 1yuj s GLU 22 Cb -0.05 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.91 1yuj s GLU 22 CO -0.07 0.51 0.68 0.15 0.02 0.00 0.00 175.26 176.54 1yuj s LYS 23 N -1.11 3.53 0.01 1.61 1.02 -1.26 -5.05 119.74 118.49 1yuj s LYS 23 Ca 0.41 -0.06 -0.24 0.00 0.02 0.00 0.00 55.97 56.10 1yuj s LYS 23 Cb -0.26 -3.87 -0.05 0.00 -0.52 0.00 0.00 37.83 33.13 1yuj s LYS 23 CO 0.32 -0.89 0.73 -1.25 -0.92 0.00 0.00 175.35 173.33 1yuj s PRO 24 N 2.88 4.45 0.05 -1.68 0.04 -1.26 -4.94 135.00 134.55 1yuj s PRO 24 Ca 0.26 0.97 0.15 0.00 0.04 0.00 0.00 61.00 62.42 1yuj s PRO 24 Cb -0.14 -3.38 0.65 0.00 0.04 0.00 0.00 34.50 31.67 1yuj s PRO 24 CO 0.18 0.24 1.48 0.54 0.04 0.00 0.00 177.00 179.47 1yuj n ARG 25 N 3.05 0.04 0.00 4.56 3.00 -1.26 -2.05 116.66 124.00 1yuj n ARG 25 Ca -0.03 0.31 0.08 0.00 -0.01 0.00 0.00 57.85 58.20 1yuj n ARG 25 Cb 0.51 -1.58 0.42 0.00 0.00 0.00 0.00 32.46 31.81 1yuj n ARG 25 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1yuj n SER 26 N -1.65 0.00 -0.05 0.55 7.64 -1.26 0.73 113.62 119.58 1yuj n SER 26 Ca 0.03 0.14 -0.00 0.00 1.01 0.00 0.00 58.87 60.04 1yuj n SER 26 Cb 0.17 -0.33 -0.13 0.00 -1.01 0.00 0.00 64.21 62.90 1yuj n SER 26 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1yuj n ARG 27 N -1.33 0.99 -0.09 1.43 5.12 -0.87 -4.28 116.66 117.63 1yuj n ARG 27 Ca 0.07 -0.08 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 1yuj n ARG 27 Cb 0.15 -1.41 -0.10 0.00 -1.16 0.00 0.00 32.46 29.94 1yuj n ARG 27 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1yuj n SER 28 N -2.37 2.00 0.02 0.55 3.41 -1.05 -4.34 113.62 111.83 1yuj n SER 28 Ca -0.16 -0.06 0.04 0.00 -0.26 0.00 0.00 58.87 58.43 1yuj n SER 28 Cb 0.77 0.18 0.42 0.00 -0.26 0.00 0.00 64.21 65.32 1yuj n SER 28 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1yuj h GLN 29 N 0.00 0.50 0.00 4.33 4.15 0.05 0.79 115.11 124.93 1yuj h GLN 29 Ca -0.42 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 58.94 1yuj h GLN 29 Cb 1.78 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 29.35 1yuj h GLN 29 CO -0.03 0.36 -0.08 0.77 -1.93 0.00 0.00 178.83 177.91 1yuj h SER 30 N 0.52 0.00 -3.15 -0.69 0.02 -1.75 -3.42 113.55 105.08 1yuj h SER 30 Ca 0.14 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.50 1yuj h SER 30 Cb -0.02 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 1yuj h SER 30 CO -0.03 0.08 -0.12 -1.61 -1.14 0.00 0.00 176.83 174.01 1yuj s GLU 31 N -3.87 4.10 0.18 3.45 0.41 0.27 -5.06 118.70 118.17 1yuj s GLU 31 Ca -0.01 0.55 0.11 0.00 -0.41 0.00 0.00 54.97 55.21 1yuj s GLU 31 Cb 0.11 -3.26 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 1yuj s GLU 31 CO 0.56 0.59 -0.24 -0.65 -0.49 0.00 0.00 175.26 175.02 1yuj s GLN 32 N -0.82 1.48 0.61 1.61 1.11 -1.26 -4.97 119.66 117.42 1yuj s GLN 32 Ca 0.26 -1.48 -0.18 0.00 0.01 0.00 0.00 55.36 53.98 1yuj s GLN 32 Cb -0.18 -1.83 -0.11 0.00 -1.01 0.00 0.00 33.01 29.88 1yuj s GLN 32 CO 0.15 0.40 0.08 -2.30 0.01 0.00 0.00 175.29 173.64 1yuj n PRO 33 N 0.42 0.18 -3.71 2.91 -0.02 -1.21 -4.04 135.00 129.52 1yuj n PRO 33 Ca -0.14 0.07 -0.12 0.00 -2.02 0.00 0.00 63.50 61.29 1yuj n PRO 33 Cb 0.55 -1.32 -0.13 0.00 -0.02 0.00 0.00 33.50 32.58 1yuj n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yuj s ALA 34 N -1.92 -0.60 0.14 3.55 0.00 0.31 -4.84 121.76 118.40 1yuj s ALA 34 Ca 0.60 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.65 1yuj s ALA 34 Cb -0.42 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1yuj s ALA 34 CO 0.64 -0.31 -0.02 0.99 0.00 0.00 0.00 175.76 177.06 1yuj s THR 35 N 1.56 3.74 -0.10 0.00 2.01 -1.26 0.14 115.64 121.72 1yuj s THR 35 Ca -0.07 -1.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.43 1yuj s THR 35 Cb -0.11 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1yuj s THR 35 CO -0.09 -0.01 0.66 0.00 -0.69 0.00 0.00 174.62 174.49 1yuj n PRO 37 N 4.04 0.71 -0.05 0.00 -0.04 -1.26 -1.74 135.00 136.67 1yuj n PRO 37 Ca -0.02 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1yuj n PRO 37 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1yuj n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1yuj n ILE 38 N -1.03 1.35 -0.62 0.52 5.41 -1.26 -4.74 119.36 118.98 1yuj n ILE 38 Ca 0.18 0.22 0.08 0.00 1.00 0.00 0.00 62.75 64.22 1yuj n ILE 38 Cb 0.10 -2.09 0.24 0.00 -0.71 0.00 0.00 39.64 37.17 1yuj n ILE 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yuj n TYR 40 N 0.18 -0.28 -1.74 0.00 4.01 -0.71 -4.89 117.16 113.73 1yuj n TYR 40 Ca 0.18 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.50 1yuj n TYR 40 Cb 0.72 -2.89 -0.01 0.00 -0.31 0.00 0.00 39.34 36.84 1yuj n TYR 40 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yuj n ALA 41 N 0.72 2.34 -2.54 -0.72 0.00 -1.26 -4.47 120.51 114.58 1yuj n ALA 41 Ca -0.16 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1yuj n ALA 41 Cb 0.52 -2.43 -0.08 0.00 0.00 0.00 0.00 19.45 17.46 1yuj n ALA 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yuj s VAL 42 N -0.18 5.04 -0.15 0.00 1.01 -1.26 -0.29 120.40 124.57 1yuj s VAL 42 Ca 0.63 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 1yuj s VAL 42 Cb -0.51 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 1yuj s VAL 42 CO 0.51 -0.28 -0.07 -0.63 0.00 0.00 0.00 175.10 174.63 1yuj s ILE 43 N 2.32 3.61 -0.04 2.22 -1.09 0.36 -4.99 121.20 123.60 1yuj s ILE 43 Ca 0.17 -0.46 -0.14 0.00 -2.23 0.00 0.00 60.65 57.98 1yuj s ILE 43 Cb -0.16 -2.56 -0.08 0.00 -1.58 0.00 0.00 42.46 38.08 1yuj s ILE 43 CO 0.14 0.50 0.60 0.03 -1.23 0.00 0.00 174.94 174.98 1yuj h ARG 44 N 6.71 -0.50 -6.70 2.79 3.08 -1.90 0.89 114.38 118.75 1yuj h ARG 44 Ca -0.29 0.03 -0.50 0.00 0.07 0.00 0.00 59.98 59.29 1yuj h ARG 44 Cb 1.20 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1yuj h ARG 44 CO 0.60 -0.33 0.40 -0.65 -1.07 0.00 0.00 179.97 178.93 1yuj s GLN 45 N -3.22 4.72 0.21 0.04 -0.21 -1.26 -2.91 119.66 117.03 1yuj s GLN 45 Ca -0.08 1.59 -0.05 0.00 0.02 0.00 0.00 55.36 56.84 1yuj s GLN 45 Cb 0.01 -3.28 0.17 0.00 1.00 0.00 0.00 33.01 30.90 1yuj s GLN 45 CO 0.23 0.30 1.62 0.66 -2.12 0.00 0.00 175.29 175.97 1yuj h SER 46 N 4.62 0.81 -0.85 5.90 4.64 -1.86 -2.82 113.55 124.00 1yuj h SER 46 Ca -0.45 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 60.59 1yuj h SER 46 Cb 1.21 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.03 1yuj h SER 46 CO 0.70 1.01 0.56 0.08 -0.87 0.00 0.00 176.83 178.30 1yuj h ARG 47 N 0.70 1.11 0.00 4.77 0.11 -1.95 -0.31 114.38 118.80 1yuj h ARG 47 Ca 0.10 -0.07 -0.07 0.00 0.10 0.00 0.00 59.98 60.04 1yuj h ARG 47 Cb 0.74 -0.25 -0.01 0.00 1.11 0.00 0.00 29.97 31.56 1yuj h ARG 47 CO 0.06 0.73 -0.34 -0.91 0.10 0.00 0.00 179.97 179.61 1yuj h ASN 48 N 1.14 0.00 -0.40 0.08 2.35 -1.91 -2.91 115.58 113.92 1yuj h ASN 48 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1yuj h ASN 48 Cb -0.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1yuj h ASN 48 CO -0.07 0.34 0.27 0.25 -1.65 0.00 0.00 177.43 176.57 1yuj h LEU 49 N 0.00 0.47 -1.09 1.61 5.85 -0.82 0.11 115.31 121.44 1yuj h LEU 49 Ca -0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1yuj h LEU 49 Cb 0.67 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1yuj h LEU 49 CO 0.04 0.34 0.61 0.08 -0.34 0.00 0.00 178.44 179.18 1yuj h ARG 50 N 0.55 1.20 -0.43 1.25 0.11 -1.39 0.73 114.38 116.40 1yuj h ARG 50 Ca 0.15 -0.07 -0.05 0.00 0.10 0.00 0.00 59.98 60.11 1yuj h ARG 50 Cb -0.06 -0.27 -0.02 0.00 1.11 0.00 0.00 29.97 30.73 1yuj h ARG 50 CO -0.03 0.80 0.07 -0.09 0.10 0.00 0.00 179.97 180.81 1yuj h ARG 51 N 1.24 0.65 -0.47 0.08 2.43 -1.27 -2.06 114.38 114.99 1yuj h ARG 51 Ca 0.35 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1yuj h ARG 51 Cb -0.11 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1yuj h ARG 51 CO -0.08 0.62 0.10 1.25 -1.51 0.00 0.00 179.97 180.35 1yuj h HIS 52 N 0.63 0.73 -0.91 2.20 2.76 0.15 -2.16 115.15 118.55 1yuj h HIS 52 Ca 0.14 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1yuj h HIS 52 Cb 0.29 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.99 1yuj h HIS 52 CO 0.01 0.63 0.61 -0.07 -1.30 0.00 0.00 177.93 177.80 1yuj h LEU 53 N 0.69 1.05 -0.78 0.26 3.38 -0.59 -0.98 115.31 118.33 1yuj h LEU 53 Ca 0.15 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1yuj h LEU 53 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1yuj h LEU 53 CO -0.00 0.75 -0.21 -0.33 0.09 0.00 0.00 178.44 178.74 1yuj h GLU 54 N 1.23 0.00 0.05 1.13 4.39 -1.29 0.47 114.58 120.56 1yuj h GLU 54 Ca 0.34 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.70 1yuj h GLU 54 Cb -0.13 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 1yuj h GLU 54 CO -0.08 0.21 -1.89 1.28 -1.16 0.00 0.00 179.01 177.38 1yuj n LEU 55 N -3.27 2.34 -1.29 1.33 4.77 -0.80 -1.70 117.00 118.37 1yuj n LEU 55 Ca 0.01 0.25 0.08 0.00 -0.03 0.00 0.00 56.01 56.32 1yuj n LEU 55 Cb 0.49 -1.00 0.31 0.00 -2.33 0.00 0.00 43.42 40.88 1yuj n LEU 55 CO 0.34 0.64 0.77 0.54 -1.33 0.00 0.00 177.39 178.35 1yuj n ARG 56 N -3.87 3.58 0.00 3.23 5.12 -0.44 -4.51 116.66 119.77 1yuj n ARG 56 Ca -0.37 -2.80 0.00 0.00 -1.93 0.00 0.00 57.85 52.75 1yuj n ARG 56 Cb 0.90 -1.85 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 1yuj n ARG 56 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1yuj n HIS 57 N 0.46 -1.36 1.99 -1.55 8.25 -1.01 -4.89 115.22 117.10 1yuj n HIS 57 Ca 0.23 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.70 1yuj n HIS 57 Cb 0.88 0.44 0.07 0.00 1.12 0.00 0.00 29.99 32.49 1yuj n HIS 57 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1yuj n PHE 58 N -2.31 0.00 1.32 4.41 3.72 0.16 -3.64 117.46 121.13 1yuj n PHE 58 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 1yuj n PHE 58 Cb 0.00 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.76 1yuj n PHE 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yuj n ALA 59 N -0.54 2.21 -2.09 4.37 0.00 -0.69 -4.77 120.51 119.00 1yuj n ALA 59 Ca 0.02 -0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 1yuj n ALA 59 Cb 0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 1yuj n ALA 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1yuj s LYS 60 N -2.00 3.97 1.05 0.00 -2.85 -1.24 -5.03 119.74 113.64 1yuj s LYS 60 Ca 0.11 0.70 -0.22 0.00 -1.00 0.00 0.00 55.97 55.57 1yuj s LYS 60 Cb 0.05 -2.36 -0.04 0.00 -2.06 0.00 0.00 37.83 33.42 1yuj s LYS 60 CO 0.09 0.05 -0.63 -2.30 0.10 0.00 0.00 175.35 172.66 1yuj n PRO 61 N -0.73 -0.78 0.00 1.78 -0.02 -1.26 -5.02 135.00 128.97 1yuj n PRO 61 Ca 0.04 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1yuj n PRO 61 Cb 0.54 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1yuj n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yuj n GLY 62 N 2.66 3.80 0.76 -1.23 0.00 -1.26 -5.15 105.19 104.76 1yuj n GLY 62 Ca -0.00 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1yuj n GLY 62 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70