#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xho s TRP 3 N 0.00 1.91 -0.03 3.52 0.52 -0.84 -4.97 118.94 119.05 1xho s TRP 3 Ca 0.00 -1.08 0.05 0.00 0.02 0.00 0.00 56.10 55.09 1xho s TRP 3 Cb 0.00 -1.36 -0.01 0.00 -1.15 0.00 0.00 33.47 30.95 1xho s TRP 3 CO 0.00 -0.03 -0.18 0.00 0.02 0.00 0.00 176.95 176.75 1xho s ALA 4 N -3.10 1.57 -0.07 0.98 0.00 -1.26 -1.20 121.76 118.68 1xho s ALA 4 Ca 0.22 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1xho s ALA 4 Cb 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1xho s ALA 4 CO 0.12 0.34 -0.18 0.42 0.00 0.00 0.00 175.76 176.46 1xho s ILE 5 N -0.24 2.68 -0.13 0.00 1.01 -1.26 -4.98 121.20 118.27 1xho s ILE 5 Ca 0.02 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 1xho s ILE 5 Cb -0.09 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1xho s ILE 5 CO 0.01 0.57 0.07 -0.13 0.00 0.00 0.00 174.94 175.45 1xho s ARG 6 N -0.22 3.46 0.10 2.79 1.81 -1.26 -4.75 118.95 120.87 1xho s ARG 6 Ca -0.00 -0.29 0.07 0.00 -1.72 0.00 0.00 55.73 53.79 1xho s ARG 6 Cb -0.13 -3.07 -0.03 0.00 -0.45 0.00 0.00 34.95 31.27 1xho s ARG 6 CO 0.03 0.60 -0.18 0.20 -0.68 0.00 0.00 175.30 175.27 1xho s GLY 7 N -0.54 1.11 -0.08 -3.53 0.00 0.06 -1.50 107.32 102.84 1xho s GLY 7 Ca 0.11 -1.18 -0.19 0.00 0.00 0.00 0.00 44.72 43.45 1xho s GLY 7 CO 0.02 -1.21 0.45 0.00 0.00 0.00 0.00 173.10 172.36 1xho s ALA 8 N -1.36 -1.14 0.35 3.20 0.00 -0.23 -0.69 121.76 121.89 1xho s ALA 8 Ca 0.04 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1xho s ALA 8 Cb -0.09 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.82 1xho s ALA 8 CO 0.04 -0.27 0.63 -0.08 0.00 0.00 0.00 175.76 176.08 1xho s THR 9 N -0.74 0.00 0.22 0.00 -1.32 -0.25 -0.91 115.64 112.63 1xho s THR 9 Ca -0.08 -1.27 0.05 0.00 -1.21 0.00 0.00 61.69 59.18 1xho s THR 9 Cb -0.03 -2.67 -0.05 0.00 -1.51 0.00 0.00 72.50 68.23 1xho s THR 9 CO 0.04 0.00 -0.07 0.42 -2.21 0.00 0.00 174.62 172.80 1xho s THR 10 N -2.85 1.35 0.26 5.08 -4.23 -1.25 -1.09 115.64 112.91 1xho s THR 10 Ca 0.22 -2.10 0.11 0.00 -1.18 0.00 0.00 61.69 58.74 1xho s THR 10 Cb -0.03 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1xho s THR 10 CO 0.14 -0.48 -0.11 0.68 -0.54 0.00 0.00 174.62 174.32 1xho s VAL 11 N -3.21 2.96 0.06 2.29 -7.23 -0.45 -4.82 120.40 109.99 1xho s VAL 11 Ca 0.25 -2.12 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 1xho s VAL 11 Cb 0.03 -2.56 -0.27 0.00 0.56 0.00 0.00 36.38 34.14 1xho s VAL 11 CO 0.07 -0.36 1.07 0.28 -0.31 0.00 0.00 175.10 175.86 1xho h SER 12 N 2.19 0.36 -4.80 4.85 0.02 -1.95 -3.46 113.55 110.76 1xho h SER 12 Ca -0.43 -0.42 -0.23 0.00 -0.84 0.00 0.00 61.79 59.88 1xho h SER 12 Cb 1.25 -0.12 -0.19 0.00 0.14 0.00 0.00 62.40 63.48 1xho h SER 12 CO 0.59 1.33 -0.71 -1.81 -1.14 0.00 0.00 176.83 175.09 1xho s ASP 13 N -7.04 0.80 -1.47 3.07 1.01 -1.26 -5.06 116.67 106.73 1xho s ASP 13 Ca -0.05 -0.72 -0.14 0.00 0.71 0.00 0.00 52.55 52.36 1xho s ASP 13 Cb 0.07 0.08 0.03 0.00 1.01 0.00 0.00 42.92 44.11 1xho s ASP 13 CO 0.87 -0.33 2.29 -3.20 0.21 0.00 0.00 175.17 175.01 1xho n ASN 14 N 0.92 4.37 -4.34 0.27 5.15 -1.26 -4.69 115.26 115.67 1xho n ASN 14 Ca -0.19 -2.82 -0.26 0.00 -0.60 0.00 0.00 54.58 50.70 1xho n ASN 14 Cb 0.57 -1.65 -0.13 0.00 -0.53 0.00 0.00 39.78 38.05 1xho n ASN 14 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xho s THR 15 N 3.04 2.01 0.13 -0.44 -4.23 -1.26 -4.69 115.64 110.19 1xho s THR 15 Ca 0.49 -1.68 -0.21 0.00 -1.18 0.00 0.00 61.69 59.10 1xho s THR 15 Cb 0.14 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1xho s THR 15 CO -0.09 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.69 1xho h ALA 16 N 3.92 0.01 -0.36 3.99 0.00 -1.91 -1.99 119.26 122.91 1xho h ALA 16 Ca -0.48 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1xho h ALA 16 Cb 1.18 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1xho h ALA 16 CO 0.40 -0.55 0.13 -0.44 0.00 0.00 0.00 179.25 178.79 1xho h ASP 17 N -0.11 0.46 0.09 0.00 5.19 -1.97 -0.17 116.42 119.91 1xho h ASP 17 Ca 0.09 -0.05 -0.23 0.00 -0.62 0.00 0.00 57.03 56.22 1xho h ASP 17 Cb 0.23 -0.12 0.02 0.00 0.18 0.00 0.00 39.33 39.65 1xho h ASP 17 CO -0.20 0.43 -0.95 -0.08 -3.12 0.00 0.00 179.24 175.32 1xho h GLU 18 N 0.51 0.49 -0.08 3.56 4.81 -1.85 0.41 114.58 122.42 1xho h GLU 18 Ca 0.12 -0.64 0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1xho h GLU 18 Cb 0.13 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1xho h GLU 18 CO -0.01 1.27 -0.06 0.82 -0.73 0.00 0.00 179.01 180.29 1xho h ILE 19 N 0.02 0.81 -0.16 2.32 2.04 -1.14 0.14 117.51 121.53 1xho h ILE 19 Ca -0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1xho h ILE 19 Cb 1.67 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1xho h ILE 19 CO 0.18 0.00 0.02 0.58 0.00 0.00 0.00 178.15 178.93 1xho h VAL 20 N -0.07 1.23 -0.45 1.67 2.07 -1.07 -1.59 116.25 118.04 1xho h VAL 20 Ca 0.06 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1xho h VAL 20 Cb 0.15 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1xho h VAL 20 CO -0.13 0.23 0.22 0.00 0.02 0.00 0.00 177.57 177.91 1xho h ALA 21 N 0.80 0.58 -0.24 1.67 0.00 -0.82 -1.46 119.26 119.78 1xho h ALA 21 Ca 0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1xho h ALA 21 Cb 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xho h ALA 21 CO 0.01 0.13 -0.33 0.93 0.00 0.00 0.00 179.25 179.99 1xho h GLU 22 N 0.58 0.50 -0.21 0.00 4.39 -0.71 -2.49 114.58 116.64 1xho h GLU 22 Ca 0.15 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1xho h GLU 22 Cb 0.11 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1xho h GLU 22 CO -0.02 0.77 0.05 1.15 -1.16 0.00 0.00 179.01 179.80 1xho h THR 23 N 0.43 1.21 -0.90 1.13 2.02 -1.14 -2.63 112.91 113.03 1xho h THR 23 Ca 0.05 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1xho h THR 23 Cb 0.79 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 1xho h THR 23 CO 0.06 0.22 0.57 -0.61 0.37 0.00 0.00 175.52 176.13 1xho h GLN 24 N 0.15 1.21 -0.81 6.66 4.15 -1.17 0.75 115.11 126.05 1xho h GLN 24 Ca 0.06 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1xho h GLN 24 Cb 0.29 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 1xho h GLN 24 CO 0.00 0.83 0.39 0.87 -1.93 0.00 0.00 178.83 178.99 1xho h LYS 25 N 1.23 1.16 -0.09 1.69 1.57 -1.46 0.73 116.57 121.41 1xho h LYS 25 Ca 0.33 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1xho h LYS 25 Cb -0.09 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.00 1xho h LYS 25 CO -0.07 0.89 -0.06 1.25 -0.57 0.00 0.00 179.45 180.89 1xho h LEU 26 N 1.15 0.20 -0.98 2.94 5.85 -0.92 -0.97 115.31 122.59 1xho h LEU 26 Ca 0.28 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1xho h LEU 26 Cb 0.11 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1xho h LEU 26 CO -0.04 0.60 0.65 -0.07 -0.34 0.00 0.00 178.44 179.24 1xho h LEU 27 N -0.20 1.12 -0.43 2.25 3.38 -0.81 -2.81 115.31 117.82 1xho h LEU 27 Ca 0.02 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1xho h LEU 27 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1xho h LEU 27 CO 0.02 0.81 -0.01 0.11 0.09 0.00 0.00 178.44 179.46 1xho h LYS 28 N 1.32 0.77 -1.74 1.13 1.57 -0.78 -2.03 116.57 116.81 1xho h LYS 28 Ca 0.36 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xho h LYS 28 Cb -0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1xho h LYS 28 CO -0.08 0.84 0.00 -1.91 -0.57 0.00 0.00 179.45 177.73 1xho n GLU 29 N -4.40 0.31 0.00 3.15 2.13 -0.37 -1.95 120.64 119.50 1xho n GLU 29 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xho n GLU 29 Cb 0.30 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.67 1xho n GLU 29 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xho n ALA 31 N 0.99 0.00 0.15 4.31 0.00 -0.76 -1.58 120.51 123.61 1xho n ALA 31 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1xho n ALA 31 Cb 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 1xho n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xho h GLU 32 N 0.00 -0.32 0.00 0.00 5.08 -1.66 0.52 114.58 118.20 1xho h GLU 32 Ca 0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xho h GLU 32 Cb 0.00 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xho h GLU 32 CO 0.00 -0.13 -0.01 0.87 -1.00 0.00 0.00 179.01 178.73 1xho h LYS 33 N -0.43 0.00 -0.20 2.33 1.57 -1.56 -2.15 116.57 116.13 1xho h LYS 33 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xho h LYS 33 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1xho h LYS 33 CO 0.06 0.01 0.00 0.09 -0.57 0.00 0.00 179.45 179.04 1xho n ASN 34 N -3.85 2.60 -2.48 0.86 3.02 -1.12 -4.81 115.26 109.49 1xho n ASN 34 Ca -0.03 -1.77 -0.14 0.00 -0.03 0.00 0.00 54.58 52.62 1xho n ASN 34 Cb 0.10 -0.13 0.05 0.00 -0.61 0.00 0.00 39.78 39.19 1xho n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xho n GLY 35 N 0.78 -0.01 3.78 7.41 0.00 0.37 -5.01 105.19 112.51 1xho n GLY 35 Ca 0.11 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1xho n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xho s LEU 36 N -4.92 3.80 0.27 0.99 1.43 0.16 -5.02 118.68 115.39 1xho s LEU 36 Ca 0.27 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 1xho s LEU 36 Cb -0.12 -2.48 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 1xho s LEU 36 CO 0.46 0.17 -0.05 -1.61 0.23 0.00 0.00 176.35 175.55 1xho s GLU 37 N -2.41 1.50 0.32 1.70 2.02 -1.26 -4.66 118.70 115.91 1xho s GLU 37 Ca 0.29 -1.76 0.10 0.00 0.02 0.00 0.00 54.97 53.63 1xho s GLU 37 Cb -0.12 -1.04 0.92 0.00 0.10 0.00 0.00 34.13 33.99 1xho s GLU 37 CO 0.22 0.01 1.72 1.49 0.02 0.00 0.00 175.26 178.72 1xho h GLU 38 N 2.32 0.52 -0.04 1.61 4.81 -2.00 0.96 114.58 122.77 1xho h GLU 38 Ca -0.40 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1xho h GLU 38 Cb 1.23 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1xho h GLU 38 CO 0.67 0.34 0.00 -0.40 -0.73 0.00 0.00 179.01 178.89 1xho n ASP 39 N -4.92 0.28 0.12 1.04 5.68 -1.26 -1.44 116.55 116.05 1xho n ASP 39 Ca 0.28 -1.69 0.12 0.00 -0.50 0.00 0.00 54.79 53.00 1xho n ASP 39 Cb 0.79 -0.03 0.06 0.00 -1.14 0.00 0.00 41.12 40.81 1xho n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1xho h ASP 40 N 0.35 0.00 -3.44 -1.12 3.32 -1.10 -3.48 116.42 110.95 1xho h ASP 40 Ca 0.00 -0.03 -0.59 0.00 0.02 0.00 0.00 57.03 56.42 1xho h ASP 40 Cb 0.08 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.53 1xho h ASP 40 CO 0.00 0.02 -0.04 -0.63 -1.72 0.00 0.00 179.24 176.87 1xho s ILE 41 N -3.30 5.11 -0.08 0.35 1.01 -0.52 0.18 121.20 123.95 1xho s ILE 41 Ca 0.02 0.98 -0.18 0.00 0.00 0.00 0.00 60.65 61.47 1xho s ILE 41 Cb 0.09 -3.85 -0.29 0.00 0.01 0.00 0.00 42.46 38.42 1xho s ILE 41 CO 0.75 0.19 0.70 0.40 0.00 0.00 0.00 174.94 176.99 1xho h ILE 42 N 5.07 1.22 -2.12 2.92 2.04 -0.55 -3.47 117.51 122.62 1xho h ILE 42 Ca -0.35 -2.47 0.03 0.00 1.00 0.00 0.00 64.86 63.08 1xho h ILE 42 Cb 1.16 2.91 -0.18 0.00 -0.74 0.00 0.00 36.82 39.96 1xho h ILE 42 CO 0.74 0.71 0.37 -0.94 0.00 0.00 0.00 178.15 179.04 1xho s SER 43 N -7.05 -0.49 -0.07 1.72 1.04 -1.10 -4.26 113.70 103.50 1xho s SER 43 Ca -0.17 0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.59 1xho s SER 43 Cb 0.03 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1xho s SER 43 CO 0.80 -0.60 -0.03 -0.63 0.98 0.00 0.00 173.24 173.76 1xho s ILE 44 N -2.08 0.54 -0.15 -1.02 1.01 -0.54 -1.71 121.20 117.27 1xho s ILE 44 Ca -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1xho s ILE 44 Cb -0.01 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 1xho s ILE 44 CO -0.01 0.27 -0.02 -0.63 0.00 0.00 0.00 174.94 174.55 1xho s ILE 45 N 1.57 4.07 -0.05 2.92 1.01 -1.26 -4.31 121.20 125.14 1xho s ILE 45 Ca -0.01 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.38 1xho s ILE 45 Cb -0.13 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1xho s ILE 45 CO -0.04 0.51 -0.15 -0.36 0.00 0.00 0.00 174.94 174.90 1xho s PHE 46 N 0.14 2.69 0.06 3.97 0.08 -1.26 -4.24 117.98 119.41 1xho s PHE 46 Ca -0.00 -0.20 0.07 0.00 0.12 0.00 0.00 56.93 56.92 1xho s PHE 46 Cb -0.13 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1xho s PHE 46 CO 0.02 0.15 -0.20 0.95 -0.10 0.00 0.00 175.22 176.04 1xho s THR 47 N -0.66 1.66 0.10 0.64 -4.23 -0.61 -4.17 115.64 108.35 1xho s THR 47 Ca 0.10 -1.31 0.09 0.00 -1.18 0.00 0.00 61.69 59.39 1xho s THR 47 Cb -0.11 -1.47 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 1xho s THR 47 CO 0.01 0.11 -0.23 0.68 -0.54 0.00 0.00 174.62 174.65 1xho s VAL 48 N -0.93 1.87 0.77 2.29 -7.23 -1.26 -1.26 120.40 114.66 1xho s VAL 48 Ca 0.07 -1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 58.58 1xho s VAL 48 Cb -0.09 -1.67 0.06 0.00 0.56 0.00 0.00 36.38 35.24 1xho s VAL 48 CO 0.03 0.04 1.11 0.42 -0.31 0.00 0.00 175.10 176.39 1xho s THR 49 N -1.07 3.01 0.55 5.32 -4.23 -0.91 -0.89 115.64 117.42 1xho s THR 49 Ca 0.09 0.37 0.34 0.00 -1.18 0.00 0.00 61.69 61.31 1xho s THR 49 Cb -0.10 -2.79 0.37 0.00 1.34 0.00 0.00 72.50 71.33 1xho s THR 49 CO 0.04 -0.39 2.24 0.11 -0.54 0.00 0.00 174.62 176.09 1xho h LYS 50 N -0.94 0.00 0.00 3.99 1.79 -1.93 -0.34 116.57 119.13 1xho h LYS 50 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1xho h LYS 50 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1xho h LYS 50 CO 0.50 0.02 0.00 -0.40 -1.08 0.00 0.00 179.45 178.50 1xho n ASP 51 N -3.52 0.00 -4.45 0.86 5.75 -1.26 -4.62 116.55 109.31 1xho n ASP 51 Ca -0.03 0.35 -0.35 0.00 -0.01 0.00 0.00 54.79 54.76 1xho n ASP 51 Cb 0.12 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 39.65 1xho n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xho s LEU 52 N -2.87 3.31 0.00 -2.12 1.43 -0.14 -4.77 118.68 113.52 1xho s LEU 52 Ca 0.11 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1xho s LEU 52 Cb 0.12 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1xho s LEU 52 CO 0.32 0.04 0.66 -0.90 0.23 0.00 0.00 176.35 176.70 1xho n ASP 53 N 4.39 0.00 0.05 2.29 5.75 -1.26 -4.78 116.55 122.99 1xho n ASP 53 Ca -0.17 -1.43 -0.05 0.00 -0.01 0.00 0.00 54.79 53.13 1xho n ASP 53 Cb 0.52 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.43 1xho n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xho h ALA 54 N 0.00 0.55 -2.20 2.12 0.00 -1.89 -3.48 119.26 114.36 1xho h ALA 54 Ca 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 1xho h ALA 54 Cb 1.17 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.85 1xho h ALA 54 CO 0.00 1.16 0.27 0.00 0.00 0.00 0.00 179.25 180.68 1xho s ALA 55 N -2.76 -1.76 -0.02 0.00 0.00 -1.26 -4.51 121.76 111.46 1xho s ALA 55 Ca -0.00 1.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.79 1xho s ALA 55 Cb 0.09 0.15 -0.06 0.00 0.00 0.00 0.00 23.12 23.29 1xho s ALA 55 CO 0.81 -0.48 1.63 -0.06 0.00 0.00 0.00 175.76 177.65 1xho s PHE 56 N -1.95 2.17 0.60 0.00 0.40 -1.26 -4.91 117.98 113.04 1xho s PHE 56 Ca -0.06 0.28 0.42 0.00 -0.60 0.00 0.00 56.93 56.98 1xho s PHE 56 Cb -0.00 -3.90 2.28 0.00 0.51 0.00 0.00 43.02 41.90 1xho s PHE 56 CO 0.02 -3.72 2.33 -1.35 0.70 0.00 0.00 175.22 173.19 1xho h PRO 57 N 9.06 0.00 -0.03 0.24 0.11 -1.98 -2.31 132.00 137.08 1xho h PRO 57 Ca -0.40 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.72 1xho h PRO 57 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xho h PRO 57 CO 0.94 0.00 0.04 0.00 -0.21 0.00 0.00 178.00 178.77 1xho h ALA 58 N 2.00 1.54 -0.97 -0.75 0.00 -1.97 -2.19 119.26 116.91 1xho h ALA 58 Ca -0.00 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.11 1xho h ALA 58 Cb 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.74 1xho h ALA 58 CO 0.00 -0.06 0.56 0.82 0.00 0.00 0.00 179.25 180.57 1xho h ILE 59 N 0.00 0.65 -0.94 0.00 2.04 -1.82 -1.11 117.51 116.33 1xho h ILE 59 Ca 0.02 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.74 1xho h ILE 59 Cb 0.10 -0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.03 1xho h ILE 59 CO -0.00 0.12 0.59 0.00 0.00 0.00 0.00 178.15 178.86 1xho h ALA 60 N 1.66 1.36 -0.39 1.87 0.00 -1.62 0.84 119.26 122.97 1xho h ALA 60 Ca 0.57 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.34 1xho h ALA 60 Cb 0.94 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xho h ALA 60 CO -0.41 0.27 -0.35 0.00 0.00 0.00 0.00 179.25 178.76 1xho h ALA 61 N 1.48 0.63 -0.53 0.00 0.00 -1.38 -2.89 119.26 116.57 1xho h ALA 61 Ca 0.44 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xho h ALA 61 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xho h ALA 61 CO -0.22 0.67 0.14 -0.09 0.00 0.00 0.00 179.25 179.75 1xho h ARG 62 N 0.75 0.80 -1.70 0.00 2.43 -0.97 0.17 114.38 115.86 1xho h ARG 62 Ca 0.07 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1xho h ARG 62 Cb 0.94 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1xho h ARG 62 CO 0.09 0.72 0.00 0.09 -1.51 0.00 0.00 179.97 179.36 1xho n ASN 63 N -4.28 0.36 -0.11 -3.80 3.02 0.24 -4.37 115.26 106.32 1xho n ASN 63 Ca 0.04 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1xho n ASN 63 Cb 0.22 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1xho n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xho n GLY 65 N 0.89 -1.49 2.69 7.41 0.00 -1.00 -5.11 105.19 108.58 1xho n GLY 65 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xho n GLY 65 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xho n TRP 66 N 0.00 3.31 1.07 1.61 7.02 0.55 -4.60 117.44 126.40 1xho n TRP 66 Ca 0.00 -2.97 0.12 0.00 -1.02 0.00 0.00 57.50 53.63 1xho n TRP 66 Cb 0.53 -2.47 0.15 0.00 -2.42 0.00 0.00 31.31 27.10 1xho n TRP 66 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1xho n THR 67 N 4.66 0.00 -0.17 -0.99 -2.24 -1.26 -4.08 114.28 110.19 1xho n THR 67 Ca 0.54 -0.42 0.06 0.00 -2.27 0.00 0.00 64.05 61.96 1xho n THR 67 Cb 0.36 1.31 0.17 0.00 -2.10 0.00 0.00 70.33 70.07 1xho n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xho n SER 68 N 0.95 3.00 -4.40 3.42 7.64 -1.26 -4.99 113.62 117.99 1xho n SER 68 Ca 0.14 -1.98 -0.33 0.00 1.01 0.00 0.00 58.87 57.71 1xho n SER 68 Cb 0.54 -0.25 -0.14 0.00 -1.01 0.00 0.00 64.21 63.35 1xho n SER 68 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xho s THR 69 N -1.00 2.90 0.04 0.44 2.01 -1.26 -5.09 115.64 113.69 1xho s THR 69 Ca 0.26 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1xho s THR 69 Cb 0.13 -2.16 -0.08 0.00 0.01 0.00 0.00 72.50 70.40 1xho s THR 69 CO 0.18 0.56 1.76 0.00 -0.69 0.00 0.00 174.62 176.43 1xho s ALA 70 N -0.17 3.66 0.36 7.40 0.00 -1.26 -4.94 121.76 126.81 1xho s ALA 70 Ca -0.01 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.18 1xho s ALA 70 Cb -0.13 -3.76 -0.00 0.00 0.00 0.00 0.00 23.12 19.23 1xho s ALA 70 CO 0.03 -1.31 0.02 1.28 0.00 0.00 0.00 175.76 175.79 1xho n LEU 71 N 6.43 0.00 -3.59 0.00 4.77 -1.26 -1.46 117.00 121.89 1xho n LEU 71 Ca 0.17 -2.35 -0.09 0.00 -0.03 0.00 0.00 56.01 53.72 1xho n LEU 71 Cb 0.41 0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.80 1xho n LEU 71 CO 0.64 -0.34 0.84 0.00 -1.33 0.00 0.00 177.39 177.21 1xho s ASN 75 N -1.11 6.09 0.50 0.00 -0.87 -1.26 -4.99 114.94 113.30 1xho s ASN 75 Ca 0.00 0.17 -0.22 0.00 -1.57 0.00 0.00 52.86 51.25 1xho s ASN 75 Cb -0.01 -1.80 -0.06 0.00 -0.02 0.00 0.00 41.25 39.36 1xho s ASN 75 CO -0.00 0.16 1.21 -0.70 -2.57 0.00 0.00 177.10 175.20 1xho s GLU 76 N -2.52 3.48 0.03 -0.60 2.56 -0.07 -4.77 118.70 116.80 1xho s GLU 76 Ca 0.33 1.86 -0.38 0.00 0.00 0.00 0.00 54.97 56.78 1xho s GLU 76 Cb -0.13 -2.27 -0.19 0.00 2.00 0.00 0.00 34.13 33.54 1xho s GLU 76 CO 0.26 -0.81 1.01 1.51 -0.56 0.00 0.00 175.26 176.67 1xho n ILE 77 N -0.83 0.26 -2.68 -3.70 3.06 -1.26 -4.75 119.36 109.46 1xho n ILE 77 Ca 0.09 -0.06 -0.42 0.00 -2.50 0.00 0.00 62.75 59.86 1xho n ILE 77 Cb 0.48 -0.03 -0.03 0.00 0.54 0.00 0.00 39.64 40.60 1xho n ILE 77 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1xho s ASP 78 N -0.11 6.32 -0.30 9.51 2.15 -1.26 -4.97 116.67 128.00 1xho s ASP 78 Ca 0.87 -0.28 0.02 0.00 0.43 0.00 0.00 52.55 53.59 1xho s ASP 78 Cb -1.22 -2.51 0.09 0.00 -0.30 0.00 0.00 42.92 38.98 1xho s ASP 78 CO 0.57 -1.49 0.03 -0.69 -0.17 0.00 0.00 175.17 173.41 1xho s VAL 79 N 4.77 1.68 0.09 1.11 1.01 -1.26 -5.11 120.40 122.69 1xho s VAL 79 Ca 0.35 -1.75 -0.36 0.00 0.00 0.00 0.00 61.98 60.22 1xho s VAL 79 Cb -0.10 -2.15 -0.17 0.00 0.00 0.00 0.00 36.38 33.96 1xho s VAL 79 CO 0.19 -0.47 1.24 -2.65 0.00 0.00 0.00 175.10 173.41 1xho n PRO 80 N 4.54 0.91 -0.22 2.72 -0.02 -1.26 -1.85 135.00 139.81 1xho n PRO 80 Ca -0.03 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1xho n PRO 80 Cb 0.43 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1xho n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xho n GLY 81 N 2.22 0.94 3.91 -1.23 0.00 -1.26 -5.06 105.19 104.70 1xho n GLY 81 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1xho n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xho s SER 82 N -2.92 5.23 -0.10 1.61 1.04 -0.77 -4.95 113.70 112.84 1xho s SER 82 Ca 0.00 0.80 -0.38 0.00 0.48 0.00 0.00 55.95 56.85 1xho s SER 82 Cb 0.00 -1.59 -0.16 0.00 0.10 0.00 0.00 66.02 64.38 1xho s SER 82 CO 0.00 -1.38 1.59 -0.11 0.98 0.00 0.00 173.24 174.32 1xho n LEU 83 N -2.89 2.23 -4.88 2.42 7.94 -1.26 -4.95 117.00 115.61 1xho n LEU 83 Ca 0.06 1.08 -0.30 0.00 -1.11 0.00 0.00 56.01 55.75 1xho n LEU 83 Cb 0.59 -1.19 0.03 0.00 0.53 0.00 0.00 43.42 43.38 1xho n LEU 83 CO 0.55 -0.63 0.72 -1.61 -1.11 0.00 0.00 177.39 175.31 1xho s GLU 84 N 2.28 3.09 -1.52 1.96 2.02 -1.26 -4.47 118.70 120.80 1xho s GLU 84 Ca 0.92 0.51 -0.07 0.00 0.02 0.00 0.00 54.97 56.34 1xho s GLU 84 Cb -0.97 -2.06 0.06 0.00 0.10 0.00 0.00 34.13 31.25 1xho s GLU 84 CO 0.56 -0.86 0.55 1.63 0.02 0.00 0.00 175.26 177.16 1xho n LYS 85 N -2.89 -3.26 -4.78 1.61 5.02 -1.26 -4.86 118.16 107.75 1xho n LYS 85 Ca 0.06 0.39 -0.33 0.00 -2.02 0.00 0.00 58.31 56.41 1xho n LYS 85 Cb 0.56 -4.72 -0.14 0.00 -0.02 0.00 0.00 35.03 30.71 1xho n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xho s ILE 87 N 0.27 3.54 0.14 0.00 1.01 -0.25 -2.15 121.20 123.76 1xho s ILE 87 Ca -0.09 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.15 1xho s ILE 87 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1xho s ILE 87 CO 0.05 0.52 -0.21 -0.13 0.00 0.00 0.00 174.94 175.18 1xho s ARG 88 N 0.15 1.26 0.30 2.79 0.52 -0.39 -1.09 118.95 122.49 1xho s ARG 88 Ca -0.04 -1.32 0.03 0.00 -0.52 0.00 0.00 55.73 53.88 1xho s ARG 88 Cb -0.14 -1.49 -0.01 0.00 0.52 0.00 0.00 34.95 33.83 1xho s ARG 88 CO 0.04 0.33 0.12 0.28 0.02 0.00 0.00 175.30 176.09 1xho n VAL 89 N 0.66 0.00 -4.01 3.52 0.31 0.13 -1.58 118.33 117.37 1xho n VAL 89 Ca -0.16 -1.78 -0.17 0.00 -0.01 0.00 0.00 64.34 62.22 1xho n VAL 89 Cb 0.55 0.67 -0.16 0.00 -0.91 0.00 0.00 33.84 34.00 1xho n VAL 89 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1xho s HIS 92 N -2.73 0.37 -0.00 3.52 3.76 -0.69 -0.76 115.29 118.75 1xho s HIS 92 Ca 0.17 -0.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 1xho s HIS 92 Cb 0.01 -0.38 -0.01 0.00 1.11 0.00 0.00 32.58 33.31 1xho s HIS 92 CO 0.12 -0.10 -0.07 0.14 -0.85 0.00 0.00 174.74 173.98 1xho s VAL 93 N 0.66 0.55 -0.16 -0.90 -7.23 -0.34 0.20 120.40 113.17 1xho s VAL 93 Ca -0.07 -0.34 -0.28 0.00 -1.81 0.00 0.00 61.98 59.48 1xho s VAL 93 Cb -0.10 -0.47 -0.01 0.00 0.56 0.00 0.00 36.38 36.36 1xho s VAL 93 CO -0.01 0.12 0.97 0.20 -0.31 0.00 0.00 175.10 176.07 1xho s ASN 94 N -0.25 7.12 0.07 4.85 0.01 0.13 -1.98 114.94 124.90 1xho s ASN 94 Ca 0.02 1.38 -0.10 0.00 -0.71 0.00 0.00 52.86 53.45 1xho s ASN 94 Cb -0.03 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.11 1xho s ASN 94 CO -0.00 -0.50 0.22 0.28 -1.51 0.00 0.00 177.10 175.58 1xho s THR 95 N 2.42 0.12 -2.62 1.60 -1.32 -1.26 -4.76 115.64 109.82 1xho s THR 95 Ca 0.44 -1.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.18 1xho s THR 95 Cb -0.17 -1.15 0.42 0.00 -1.51 0.00 0.00 72.50 70.09 1xho s THR 95 CO 0.13 -0.55 1.55 -0.90 -2.21 0.00 0.00 174.62 172.63 1xho n ASP 96 N 0.22 2.12 -4.91 8.08 5.68 -1.26 -4.45 116.55 122.03 1xho n ASP 96 Ca -0.17 -1.72 -0.28 0.00 -0.50 0.00 0.00 54.79 52.13 1xho n ASP 96 Cb 0.61 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.54 1xho n ASP 96 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1xho s LYS 97 N -1.93 3.60 0.33 0.11 1.02 -1.26 -5.09 119.74 116.52 1xho s LYS 97 Ca 0.34 0.02 -0.17 0.00 0.02 0.00 0.00 55.97 56.18 1xho s LYS 97 Cb 0.20 -2.57 -0.09 0.00 -0.52 0.00 0.00 37.83 34.85 1xho s LYS 97 CO 0.31 0.10 0.78 -0.51 -0.92 0.00 0.00 175.35 175.12 1xho s ASP 98 N -3.50 6.87 0.37 2.83 1.01 -1.26 -4.93 116.67 118.06 1xho s ASP 98 Ca 0.45 1.40 0.15 0.00 0.71 0.00 0.00 52.55 55.26 1xho s ASP 98 Cb -0.10 -2.42 1.02 0.00 1.01 0.00 0.00 42.92 42.42 1xho s ASP 98 CO 0.34 -0.20 1.76 0.50 0.21 0.00 0.00 175.17 177.78 1xho h LYS 99 N 2.38 0.46 0.00 8.23 3.64 -1.98 0.85 116.57 130.16 1xho h LYS 99 Ca -0.48 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1xho h LYS 99 Cb 1.18 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1xho h LYS 99 CO 0.64 0.30 -0.07 0.87 -2.27 0.00 0.00 179.45 178.93 1xho h LYS 100 N 0.47 0.00 -0.05 1.90 1.79 -2.04 -2.72 116.57 115.93 1xho h LYS 100 Ca 0.60 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 1xho h LYS 100 Cb 1.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1xho h LYS 100 CO -0.34 0.07 0.00 -0.25 -1.08 0.00 0.00 179.45 177.84 1xho n ASP 101 N -3.89 2.13 -4.75 0.86 8.00 0.29 -4.94 116.55 114.24 1xho n ASP 101 Ca -0.03 -1.71 -0.41 0.00 0.71 0.00 0.00 54.79 53.35 1xho n ASP 101 Cb 0.16 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.21 1xho n ASP 101 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xho s ILE 102 N -1.96 2.84 -0.33 0.53 -1.09 -1.03 -4.97 121.20 115.19 1xho s ILE 102 Ca 0.34 0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 59.48 1xho s ILE 102 Cb 0.20 -3.48 0.06 0.00 -1.58 0.00 0.00 42.46 37.66 1xho s ILE 102 CO 0.32 0.15 0.07 -0.54 -1.23 0.00 0.00 174.94 173.70 1xho s LYS 103 N -0.92 2.44 0.13 2.79 1.02 -1.26 -5.09 119.74 118.85 1xho s LYS 103 Ca 0.54 -1.32 -0.19 0.00 0.02 0.00 0.00 55.97 55.02 1xho s LYS 103 Cb -0.39 -3.35 -0.07 0.00 -0.52 0.00 0.00 37.83 33.50 1xho s LYS 103 CO 0.46 -0.71 0.62 -1.01 -0.92 0.00 0.00 175.35 173.79 1xho s HIS 104 N 1.29 3.74 -0.18 3.18 3.76 -1.26 -4.84 115.29 120.99 1xho s HIS 104 Ca -0.02 1.29 -0.02 0.00 -0.15 0.00 0.00 55.06 56.16 1xho s HIS 104 Cb -0.20 -2.52 -0.01 0.00 1.11 0.00 0.00 32.58 30.95 1xho s HIS 104 CO -0.00 0.49 -0.08 0.08 -0.85 0.00 0.00 174.74 174.37 1xho s VAL 105 N -1.29 3.24 -0.20 -0.90 1.01 -0.56 -5.02 120.40 116.69 1xho s VAL 105 Ca 0.35 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1xho s VAL 105 Cb -0.18 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1xho s VAL 105 CO 0.20 0.48 -0.06 -0.31 0.00 0.00 0.00 175.10 175.41 1xho s TYR 106 N 0.91 2.05 0.22 5.22 2.02 -1.26 -1.07 117.35 125.43 1xho s TYR 106 Ca -0.02 -1.41 0.11 0.00 -0.37 0.00 0.00 57.07 55.38 1xho s TYR 106 Cb -0.15 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 1xho s TYR 106 CO 0.00 -0.70 -0.22 -0.51 -1.57 0.00 0.00 175.55 172.56 1xho s LEU 107 N 1.52 2.49 0.00 -1.29 1.43 -0.09 -4.47 118.68 118.27 1xho s LEU 107 Ca -0.02 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1xho s LEU 107 Cb -0.17 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1xho s LEU 107 CO -0.07 0.06 0.00 0.59 0.23 0.00 0.00 176.35 177.16 1xho n ASN 108 N -0.03 0.00 0.26 2.29 3.02 -1.26 -1.56 115.26 117.98 1xho n ASN 108 Ca -0.10 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.62 1xho n ASN 108 Cb 0.58 0.00 0.67 0.00 -0.61 0.00 0.00 39.78 40.41 1xho n ASN 108 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1xho h GLY 109 N 0.00 0.00 1.55 7.41 0.00 -1.90 -3.15 103.07 106.97 1xho h GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xho h GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1xho n ALA 110 N -2.05 2.01 0.32 3.60 0.00 -0.60 -3.17 120.51 120.62 1xho n ALA 110 Ca 0.01 -0.09 0.20 0.00 0.00 0.00 0.00 53.44 53.56 1xho n ALA 110 Cb 0.29 -1.31 1.11 0.00 0.00 0.00 0.00 19.45 19.55 1xho n ALA 110 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xho h LYS 111 N 0.00 0.00 0.00 0.00 1.57 -1.66 0.47 116.57 116.95 1xho h LYS 111 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xho h LYS 111 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xho h LYS 111 CO 0.00 0.00 0.00 -0.39 -0.57 0.00 0.00 179.45 178.49 1xho h VAL 112 N 0.00 0.00 0.00 0.50 -1.51 -1.85 -3.50 116.25 109.89 1xho h VAL 112 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1xho h VAL 112 Cb 0.05 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 1xho h VAL 112 CO -0.00 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.52