#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rm4 h ALA 0 N 0.00 1.68 -2.72 4.61 0.00 -2.03 -3.41 119.26 117.39 2rm4 h ALA 0 Ca 0.00 -0.10 -0.56 0.00 0.00 0.00 0.00 54.91 54.25 2rm4 h ALA 0 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2rm4 h ALA 0 CO 0.00 0.25 0.04 -1.64 0.00 0.00 0.00 179.25 177.90 2rm4 s MET 1 N -5.06 4.36 0.58 0.00 1.00 -1.26 -4.52 119.30 114.39 2rm4 s MET 1 Ca -0.06 0.86 -0.18 0.00 0.00 0.00 0.00 55.69 56.31 2rm4 s MET 1 Cb 0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 34.83 31.64 2rm4 s MET 1 CO 0.72 0.44 1.11 0.20 0.00 0.00 0.00 175.02 177.50 2rm4 s GLY 2 N -0.51 2.45 0.58 -0.03 0.00 -1.26 -4.97 107.32 103.58 2rm4 s GLY 2 Ca 0.33 0.70 -0.19 0.00 0.00 0.00 0.00 44.72 45.56 2rm4 s GLY 2 CO 0.20 1.05 1.03 -1.05 0.00 0.00 0.00 173.10 174.33 2rm4 n PRO 3 N -1.65 1.05 -0.85 2.90 -0.02 -1.26 -4.90 135.00 130.27 2rm4 n PRO 3 Ca 0.11 0.40 -0.06 0.00 -2.02 0.00 0.00 63.50 61.93 2rm4 n PRO 3 Cb 0.51 -2.22 0.24 0.00 -0.02 0.00 0.00 33.50 32.02 2rm4 n PRO 3 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2rm4 n THR 4 N -1.53 2.49 -2.42 3.45 -2.24 -1.26 -4.96 114.28 107.81 2rm4 n THR 4 Ca 0.13 -1.32 -0.33 0.00 -2.27 0.00 0.00 64.05 60.25 2rm4 n THR 4 Cb 0.46 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 2rm4 n THR 4 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2rm4 s ASP 5 N -0.73 6.29 0.00 3.42 1.01 -1.26 -4.89 116.67 120.51 2rm4 s ASP 5 Ca 0.45 1.83 0.18 0.00 0.71 0.00 0.00 52.55 55.72 2rm4 s ASP 5 Cb 0.36 -2.54 0.98 0.00 1.01 0.00 0.00 42.92 42.73 2rm4 s ASP 5 CO 0.11 -0.82 1.55 0.00 0.21 0.00 0.00 175.17 176.22 2rm4 n GLN 6 N -1.30 0.36 0.28 8.23 6.02 -1.26 -2.72 117.38 126.98 2rm4 n GLN 6 Ca 0.09 0.08 0.16 0.00 -0.01 0.00 0.00 57.00 57.31 2rm4 n GLN 6 Cb 0.53 -1.50 0.76 0.00 1.02 0.00 0.00 30.24 31.05 2rm4 n GLN 6 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2rm4 h ASP 7 N 0.00 0.00 1.11 1.08 3.32 -1.98 -2.72 116.42 117.23 2rm4 h ASP 7 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2rm4 h ASP 7 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2rm4 h ASP 7 CO 0.00 0.07 0.00 0.79 -1.72 0.00 0.00 179.24 178.38 2rm4 n TRP 8 N -3.30 0.74 -1.68 4.55 5.03 -1.10 -4.79 117.44 116.90 2rm4 n TRP 8 Ca -0.01 0.24 -0.46 0.00 3.03 0.00 0.00 57.50 60.31 2rm4 n TRP 8 Cb 0.26 -0.90 -0.04 0.00 -1.03 0.00 0.00 31.31 29.61 2rm4 n TRP 8 CO 0.00 0.00 0.00 -0.89 -0.03 0.00 0.00 177.69 176.77 2rm4 n ILE 9 N -2.13 0.18 -0.70 -0.99 2.08 -1.03 0.75 119.36 117.52 2rm4 n ILE 9 Ca 0.04 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2rm4 n ILE 9 Cb 0.34 -1.71 0.00 0.00 -0.75 0.00 0.00 39.64 37.51 2rm4 n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2rm4 n GLY 10 N 3.77 0.99 3.86 7.39 0.00 0.32 -4.96 105.19 116.57 2rm4 n GLY 10 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2rm4 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rm4 s ALA 12 N -2.52 3.59 0.09 0.00 0.00 -1.06 -1.92 121.76 119.93 2rm4 s ALA 12 Ca 0.54 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2rm4 s ALA 12 Cb -0.10 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2rm4 s ALA 12 CO 0.33 -0.72 -0.06 0.14 0.00 0.00 0.00 175.76 175.44 2rm4 s VAL 13 N 2.27 0.62 -0.00 0.00 -7.23 -1.06 -0.42 120.40 114.57 2rm4 s VAL 13 Ca 0.21 -1.80 0.08 0.00 -1.81 0.00 0.00 61.98 58.65 2rm4 s VAL 13 Cb -0.16 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2rm4 s VAL 13 CO 0.09 -0.82 -0.24 -0.55 -0.31 0.00 0.00 175.10 173.27 2rm4 s SER 14 N -2.82 2.87 -0.14 4.85 0.15 -0.13 -2.57 113.70 115.90 2rm4 s SER 14 Ca 0.08 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.28 2rm4 s SER 14 Cb 0.03 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.06 2rm4 s SER 14 CO -0.05 0.28 -0.18 -0.63 1.20 0.00 0.00 173.24 173.86 2rm4 s ILE 15 N -0.62 1.82 -0.41 6.45 -1.09 -0.44 -1.94 121.20 124.96 2rm4 s ILE 15 Ca 0.10 -0.82 -0.16 0.00 -2.23 0.00 0.00 60.65 57.54 2rm4 s ILE 15 Cb -0.09 -1.64 0.02 0.00 -1.58 0.00 0.00 42.46 39.16 2rm4 s ILE 15 CO -0.00 0.50 0.33 0.00 -1.23 0.00 0.00 174.94 174.54 2rm4 s ALA 16 N 1.07 3.47 0.42 9.38 0.00 -0.58 -2.45 121.76 133.08 2rm4 s ALA 16 Ca -0.02 -1.69 0.05 0.00 0.00 0.00 0.00 51.96 50.30 2rm4 s ALA 16 Cb -0.14 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2rm4 s ALA 16 CO -0.06 -1.49 0.59 0.00 0.00 0.00 0.00 175.76 174.80 2rm4 n ASP 18 N -1.90 -2.01 -0.16 0.00 8.00 -1.22 -4.20 116.55 115.05 2rm4 n ASP 18 Ca 0.03 -0.20 0.14 0.00 0.71 0.00 0.00 54.79 55.47 2rm4 n ASP 18 Cb 0.58 -1.19 0.49 0.00 -0.02 0.00 0.00 41.12 40.99 2rm4 n ASP 18 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2rm4 h GLU 19 N -2.64 0.43 0.00 -1.24 5.08 -1.96 0.13 114.58 114.37 2rm4 h GLU 19 Ca -0.62 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 57.64 2rm4 h GLU 19 Cb 1.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2rm4 h GLU 19 CO 0.48 0.28 -0.38 0.28 -1.00 0.00 0.00 179.01 178.67 2rm4 h VAL 20 N 0.44 0.82 0.00 3.13 2.07 -2.01 -2.99 116.25 117.71 2rm4 h VAL 20 Ca 0.36 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2rm4 h VAL 20 Cb 0.77 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2rm4 h VAL 20 CO -0.12 0.37 -1.01 0.18 0.02 0.00 0.00 177.57 177.02 2rm4 n LEU 21 N -3.43 0.72 0.00 2.57 4.77 0.36 -5.06 117.00 116.94 2rm4 n LEU 21 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2rm4 n LEU 21 Cb 0.55 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2rm4 n LEU 21 CO 0.37 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2rm4 n GLY 22 N 1.25 0.66 3.08 -0.72 0.00 -0.76 -4.81 105.19 103.88 2rm4 n GLY 22 Ca 0.01 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 2rm4 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rm4 s VAL 23 N 0.00 0.97 0.14 1.61 1.01 -1.26 -1.84 120.40 121.02 2rm4 s VAL 23 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2rm4 s VAL 23 Cb 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2rm4 s VAL 23 CO 0.00 0.27 -0.10 0.72 0.00 0.00 0.00 175.10 175.98 2rm4 s PHE 24 N -0.30 1.24 0.02 5.22 -0.12 -1.02 -2.40 117.98 120.61 2rm4 s PHE 24 Ca 0.05 -0.74 0.01 0.00 -0.05 0.00 0.00 56.93 56.20 2rm4 s PHE 24 Cb -0.05 -0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 41.69 2rm4 s PHE 24 CO -0.00 0.07 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.53 2rm4 s GLN 25 N -3.56 0.40 -0.04 1.99 -0.21 0.26 -1.33 119.66 117.17 2rm4 s GLN 25 Ca 0.15 -0.44 -0.31 0.00 0.02 0.00 0.00 55.36 54.77 2rm4 s GLN 25 Cb 0.01 -0.25 0.13 0.00 1.00 0.00 0.00 33.01 33.91 2rm4 s GLN 25 CO 0.01 0.05 1.31 0.20 -2.12 0.00 0.00 175.29 174.74 2rm4 s GLY 26 N -0.85 -0.43 0.01 3.09 0.00 -1.06 -2.35 107.32 105.73 2rm4 s GLY 26 Ca -0.05 0.79 -0.19 0.00 0.00 0.00 0.00 44.72 45.26 2rm4 s GLY 26 CO -0.00 0.15 0.56 1.08 0.00 0.00 0.00 173.10 174.88 2rm4 s LEU 27 N -2.95 4.44 0.27 0.66 1.43 -1.23 -2.57 118.68 118.73 2rm4 s LEU 27 Ca 0.14 1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 54.08 2rm4 s LEU 27 Cb 0.05 -2.86 -0.10 0.00 0.03 0.00 0.00 46.19 43.32 2rm4 s LEU 27 CO -0.04 0.17 1.33 -0.63 0.23 0.00 0.00 176.35 177.41 2rm4 s ILE 28 N -0.49 2.87 -0.14 -0.59 1.01 -0.81 -1.67 121.20 121.39 2rm4 s ILE 28 Ca 0.29 0.79 0.10 0.00 0.00 0.00 0.00 60.65 61.83 2rm4 s ILE 28 Cb -0.18 -3.50 -0.16 0.00 0.01 0.00 0.00 42.46 38.63 2rm4 s ILE 28 CO 0.17 0.15 0.00 1.17 0.00 0.00 0.00 174.94 176.43 2rm4 n LYS 29 N 1.71 1.48 -3.58 2.79 4.81 -0.11 0.12 118.16 125.38 2rm4 n LYS 29 Ca 0.03 0.02 -0.17 0.00 -0.87 0.00 0.00 58.31 57.33 2rm4 n LYS 29 Cb 0.42 -1.35 -0.07 0.00 0.02 0.00 0.00 35.03 34.05 2rm4 n LYS 29 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2rm4 s GLN 30 N -2.33 0.94 -0.01 1.64 2.00 -1.05 -4.76 119.66 116.09 2rm4 s GLN 30 Ca -0.10 0.27 0.00 0.00 -2.00 0.00 0.00 55.36 53.53 2rm4 s GLN 30 Cb 0.04 0.44 0.01 0.00 0.80 0.00 0.00 33.01 34.31 2rm4 s GLN 30 CO 0.52 -0.27 -0.01 0.42 -0.50 0.00 0.00 175.29 175.46 2rm4 s ILE 31 N -0.99 0.09 0.07 -2.34 1.01 -1.26 -1.45 121.20 116.33 2rm4 s ILE 31 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 2rm4 s ILE 31 Cb -0.02 -0.12 -0.00 0.00 0.01 0.00 0.00 42.46 42.33 2rm4 s ILE 31 CO 0.08 0.05 0.18 -0.94 0.00 0.00 0.00 174.94 174.31 2rm4 s SER 32 N 0.26 0.12 0.61 3.58 1.04 -0.76 -4.96 113.70 113.60 2rm4 s SER 32 Ca -0.02 -0.59 0.31 0.00 0.48 0.00 0.00 55.95 56.12 2rm4 s SER 32 Cb -0.04 0.32 1.71 0.00 0.10 0.00 0.00 66.02 68.11 2rm4 s SER 32 CO -0.01 -0.67 2.06 0.00 0.98 0.00 0.00 173.24 175.60 2rm4 h ALA 33 N 2.97 1.68 0.00 5.32 0.00 -2.01 -1.42 119.26 125.79 2rm4 h ALA 33 Ca -0.33 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 2rm4 h ALA 33 Cb 1.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2rm4 h ALA 33 CO 0.54 -0.34 -1.61 0.39 0.00 0.00 0.00 179.25 178.23 2rm4 n GLU 34 N -3.51 0.63 -3.57 0.00 1.02 -1.26 -4.83 120.64 109.12 2rm4 n GLU 34 Ca 0.01 0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 57.18 2rm4 n GLU 34 Cb 0.37 -1.75 -0.05 0.00 -0.02 0.00 0.00 31.44 29.99 2rm4 n GLU 34 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2rm4 s GLU 35 N -2.89 1.04 -0.06 3.49 -1.05 -0.53 -3.49 118.70 115.19 2rm4 s GLU 35 Ca -0.04 -0.23 0.03 0.00 -0.15 0.00 0.00 54.97 54.58 2rm4 s GLU 35 Cb 0.09 0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 34.23 2rm4 s GLU 35 CO 0.82 -0.37 -0.15 0.42 0.95 0.00 0.00 175.26 176.93 2rm4 s ILE 36 N -2.43 2.97 -0.07 1.83 -1.09 -0.88 -1.83 121.20 119.70 2rm4 s ILE 36 Ca -0.05 -0.75 0.04 0.00 -2.23 0.00 0.00 60.65 57.66 2rm4 s ILE 36 Cb -0.01 -2.17 0.00 0.00 -1.58 0.00 0.00 42.46 38.71 2rm4 s ILE 36 CO -0.02 0.58 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.20 2rm4 s THR 37 N -0.53 1.61 0.29 2.92 2.01 -0.53 -2.40 115.64 119.01 2rm4 s THR 37 Ca 0.07 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.32 2rm4 s THR 37 Cb -0.12 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 2rm4 s THR 37 CO 0.01 0.46 0.12 0.27 -0.69 0.00 0.00 174.62 174.79 2rm4 s ILE 38 N 0.34 0.52 0.23 1.82 -4.36 -0.77 -0.93 121.20 118.05 2rm4 s ILE 38 Ca -0.13 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.32 2rm4 s ILE 38 Cb -0.15 -2.58 -0.05 0.00 1.25 0.00 0.00 42.46 40.92 2rm4 s ILE 38 CO 0.05 0.00 -0.06 0.68 0.24 0.00 0.00 174.94 175.85 2rm4 s VAL 39 N -3.63 1.38 -0.84 8.37 -7.23 -0.67 -2.00 120.40 115.79 2rm4 s VAL 39 Ca 0.36 -2.10 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2rm4 s VAL 39 Cb 0.06 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 2rm4 s VAL 39 CO 0.15 -0.42 0.76 0.54 -0.31 0.00 0.00 175.10 175.82 2rm4 n ARG 40 N -0.44 -1.59 -2.12 4.82 5.12 -1.21 -3.58 116.66 117.65 2rm4 n ARG 40 Ca -0.06 1.30 -0.42 0.00 -1.93 0.00 0.00 57.85 56.73 2rm4 n ARG 40 Cb 0.63 -5.74 -0.03 0.00 -1.16 0.00 0.00 32.46 26.16 2rm4 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rm4 s ALA 41 N -3.12 3.62 -0.11 7.54 0.00 -1.25 -4.64 121.76 123.80 2rm4 s ALA 41 Ca 0.14 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.97 2rm4 s ALA 41 Cb -0.02 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 2rm4 s ALA 41 CO 0.75 -1.24 -0.14 -0.06 0.00 0.00 0.00 175.76 175.08 2rm4 s PHE 42 N 3.50 2.78 0.02 0.00 0.40 -0.99 -2.90 117.98 120.79 2rm4 s PHE 42 Ca 0.68 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 2rm4 s PHE 42 Cb -0.31 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 2rm4 s PHE 42 CO 0.26 -0.12 -0.08 1.03 0.70 0.00 0.00 175.22 177.01 2rm4 s ARG 43 N 0.09 0.57 -1.54 0.44 0.52 -0.56 -0.57 118.95 117.89 2rm4 s ARG 43 Ca -0.06 -0.56 -0.14 0.00 -0.52 0.00 0.00 55.73 54.46 2rm4 s ARG 43 Cb -0.15 -0.46 0.09 0.00 0.52 0.00 0.00 34.95 34.96 2rm4 s ARG 43 CO 0.05 0.11 0.94 0.09 0.02 0.00 0.00 175.30 176.50 2rm4 n ASN 44 N 2.07 -4.70 -1.60 0.23 5.03 -1.01 -1.28 115.26 114.01 2rm4 n ASN 44 Ca -0.18 -0.77 -0.19 0.00 0.87 0.00 0.00 54.58 54.30 2rm4 n ASN 44 Cb 0.56 -3.76 -0.07 0.00 -1.02 0.00 0.00 39.78 35.49 2rm4 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rm4 n GLY 45 N -1.64 1.38 3.09 7.41 0.00 -1.26 -4.96 105.19 109.21 2rm4 n GLY 45 Ca 0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2rm4 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rm4 s VAL 46 N -2.75 0.11 0.37 1.61 1.01 -0.40 -5.15 120.40 115.19 2rm4 s VAL 46 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.85 2rm4 s VAL 46 Cb 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 2rm4 s VAL 46 CO 0.00 -0.48 1.08 -2.84 0.00 0.00 0.00 175.10 172.86 2rm4 s PRO 47 N -1.84 4.27 0.48 2.72 0.02 -1.26 -1.49 135.00 137.89 2rm4 s PRO 47 Ca -0.11 1.65 -0.19 0.00 0.02 0.00 0.00 61.00 62.36 2rm4 s PRO 47 Cb -0.06 -2.73 -0.09 0.00 0.02 0.00 0.00 34.50 31.64 2rm4 s PRO 47 CO -0.01 -0.08 0.99 -0.51 -0.33 0.00 0.00 177.00 177.06 2rm4 s LEU 48 N -2.30 3.78 0.34 -5.54 1.43 -1.14 -4.87 118.68 110.37 2rm4 s LEU 48 Ca 0.54 1.73 0.05 0.00 -1.03 0.00 0.00 54.13 55.42 2rm4 s LEU 48 Cb -0.26 -4.54 0.69 0.00 0.03 0.00 0.00 46.19 42.11 2rm4 s LEU 48 CO 0.33 -0.61 1.91 -0.09 0.23 0.00 0.00 176.35 178.12 2rm4 h ARG 49 N 1.39 0.81 -4.87 1.70 2.43 -1.96 -3.26 114.38 110.63 2rm4 h ARG 49 Ca -0.48 -0.05 -0.71 0.00 -0.81 0.00 0.00 59.98 57.93 2rm4 h ARG 49 Cb 1.20 -0.18 -0.18 0.00 -0.42 0.00 0.00 29.97 30.38 2rm4 h ARG 49 CO 0.60 0.54 0.97 0.15 -1.51 0.00 0.00 179.97 180.72 2rm4 s LYS 50 N -5.76 3.77 0.33 0.20 1.02 -1.26 -4.85 119.74 113.19 2rm4 s LYS 50 Ca -0.10 -2.08 0.01 0.00 0.02 0.00 0.00 55.97 53.81 2rm4 s LYS 50 Cb 0.20 -4.94 0.57 0.00 -0.52 0.00 0.00 37.83 33.14 2rm4 s LYS 50 CO 0.79 -1.74 1.98 0.37 -0.92 0.00 0.00 175.35 175.82 2rm4 h GLN 51 N 8.20 0.88 -0.03 1.68 4.15 -1.91 -1.74 115.11 126.34 2rm4 h GLN 51 Ca 0.21 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2rm4 h GLN 51 Cb 0.97 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.47 2rm4 h GLN 51 CO 1.14 0.61 0.00 -1.71 -1.93 0.00 0.00 178.83 176.94 2rm4 n ASN 52 N -4.41 0.50 -4.74 -0.69 2.85 -1.26 -3.36 115.26 104.15 2rm4 n ASN 52 Ca 0.07 -1.33 -0.41 0.00 -0.11 0.00 0.00 54.58 52.79 2rm4 n ASN 52 Cb 0.07 -0.02 -0.04 0.00 1.24 0.00 0.00 39.78 41.03 2rm4 n ASN 52 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2rm4 s ALA 53 N -1.97 3.40 0.12 5.20 0.00 -0.65 -4.80 121.76 123.05 2rm4 s ALA 53 Ca 0.37 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 2rm4 s ALA 53 Cb 0.18 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 2rm4 s ALA 53 CO 0.30 -0.27 0.58 -1.83 0.00 0.00 0.00 175.76 174.54 2rm4 s GLU 54 N -0.43 4.12 -0.21 0.00 -1.05 -1.26 -3.97 118.70 115.89 2rm4 s GLU 54 Ca 0.50 0.66 -0.07 0.00 -0.15 0.00 0.00 54.97 55.91 2rm4 s GLU 54 Cb -0.31 -3.08 -0.03 0.00 -0.44 0.00 0.00 34.13 30.27 2rm4 s GLU 54 CO 0.36 0.55 0.04 0.08 0.95 0.00 0.00 175.26 177.25 2rm4 s VAL 55 N -1.29 4.33 -0.22 1.83 1.01 -0.85 -4.98 120.40 120.25 2rm4 s VAL 55 Ca 0.34 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2rm4 s VAL 55 Cb -0.17 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.27 2rm4 s VAL 55 CO 0.19 0.40 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 2rm4 s VAL 56 N 1.04 1.74 -0.01 2.92 1.01 -1.26 -1.84 120.40 124.00 2rm4 s VAL 56 Ca 0.03 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 60.89 2rm4 s VAL 56 Cb -0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2rm4 s VAL 56 CO 0.03 0.10 -0.15 -0.76 0.00 0.00 0.00 175.10 174.32 2rm4 s LEU 57 N 1.33 2.01 0.25 3.92 1.43 -1.01 -4.97 118.68 121.64 2rm4 s LEU 57 Ca -0.03 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 2rm4 s LEU 57 Cb -0.17 -0.77 -0.09 0.00 0.03 0.00 0.00 46.19 45.19 2rm4 s LEU 57 CO -0.07 0.17 1.12 -0.54 0.23 0.00 0.00 176.35 177.26 2rm4 s LYS 58 N -0.29 4.60 0.48 1.70 1.02 -1.26 -2.07 119.74 123.92 2rm4 s LYS 58 Ca 0.04 1.81 0.20 0.00 0.02 0.00 0.00 55.97 58.04 2rm4 s LYS 58 Cb -0.06 -3.21 1.21 0.00 -0.52 0.00 0.00 37.83 35.25 2rm4 s LYS 58 CO -0.00 0.13 1.98 0.00 -0.92 0.00 0.00 175.35 176.54 2rm4 h THR 60 N 0.21 0.58 0.00 0.00 1.35 -1.91 -2.17 112.91 110.97 2rm4 h THR 60 Ca 0.28 -0.57 -0.05 0.00 -0.55 0.00 0.00 66.41 65.52 2rm4 h THR 60 Cb 0.81 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 2rm4 h THR 60 CO -0.05 0.12 -1.00 0.44 -0.25 0.00 0.00 175.52 174.78 2rm4 h ASP 61 N 0.00 0.00 -3.69 5.36 3.32 -1.38 -3.46 116.42 116.57 2rm4 h ASP 61 Ca -0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2rm4 h ASP 61 Cb 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2rm4 h ASP 61 CO 0.02 0.19 0.32 -0.63 -1.72 0.00 0.00 179.24 177.42 2rm4 s ILE 62 N -3.20 4.16 -0.11 0.35 1.01 -0.82 -3.46 121.20 119.13 2rm4 s ILE 62 Ca -0.00 2.01 0.18 0.00 0.00 0.00 0.00 60.65 62.84 2rm4 s ILE 62 Cb 0.09 -4.29 -0.27 0.00 0.01 0.00 0.00 42.46 38.00 2rm4 s ILE 62 CO 0.78 0.49 0.24 0.54 0.00 0.00 0.00 174.94 176.99 2rm4 n ARG 63 N 1.61 0.79 -3.50 2.79 5.12 -0.57 -4.94 116.66 117.95 2rm4 n ARG 63 Ca -0.02 -0.09 -0.17 0.00 -1.93 0.00 0.00 57.85 55.64 2rm4 n ARG 63 Cb 0.47 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.24 2rm4 n ARG 63 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2rm4 s SER 64 N -4.85 -0.64 0.01 0.55 0.01 -1.10 -5.04 113.70 102.64 2rm4 s SER 64 Ca -0.08 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2rm4 s SER 64 Cb 0.09 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.86 2rm4 s SER 64 CO 0.80 -0.68 -0.02 -0.63 0.41 0.00 0.00 173.24 173.13 2rm4 s ILE 65 N -1.66 0.09 -0.02 1.44 1.01 -1.26 -1.52 121.20 119.27 2rm4 s ILE 65 Ca -0.09 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2rm4 s ILE 65 Cb -0.00 -0.18 0.03 0.00 0.01 0.00 0.00 42.46 42.32 2rm4 s ILE 65 CO 0.06 -0.30 0.01 1.51 0.00 0.00 0.00 174.94 176.22 2rm4 s ASP 66 N -0.89 0.26 -0.35 3.58 -4.77 -0.82 -4.73 116.67 108.95 2rm4 s ASP 66 Ca -0.10 0.00 -0.29 0.00 -3.30 0.00 0.00 52.55 48.87 2rm4 s ASP 66 Cb -0.06 -0.15 0.01 0.00 -1.09 0.00 0.00 42.92 41.63 2rm4 s ASP 66 CO -0.01 -0.11 1.23 -0.76 0.70 0.00 0.00 175.17 176.22 2rm4 s LEU 67 N 1.03 3.81 0.02 2.11 1.43 -1.26 -0.96 118.68 124.85 2rm4 s LEU 67 Ca -0.10 0.98 -0.21 0.00 -1.03 0.00 0.00 54.13 53.78 2rm4 s LEU 67 Cb -0.13 -3.54 -0.18 0.00 0.03 0.00 0.00 46.19 42.36 2rm4 s LEU 67 CO -0.02 -1.11 1.22 0.40 0.23 0.00 0.00 176.35 177.07 2rm4 h ILE 68 N 6.02 1.41 -2.78 -0.59 2.04 -1.06 -3.42 117.51 119.12 2rm4 h ILE 68 Ca -0.24 -1.65 -0.57 0.00 1.00 0.00 0.00 64.86 63.40 2rm4 h ILE 68 Cb 1.08 2.22 -0.40 0.00 -0.74 0.00 0.00 36.82 38.99 2rm4 h ILE 68 CO 1.06 0.48 -0.80 -1.61 0.00 0.00 0.00 178.15 177.28 2rm4 s GLU 69 N -3.78 0.60 0.41 2.37 2.02 -0.89 -4.99 118.70 114.44 2rm4 s GLU 69 Ca -0.14 -1.19 0.08 0.00 0.02 0.00 0.00 54.97 53.74 2rm4 s GLU 69 Cb 0.04 -1.53 0.85 0.00 0.10 0.00 0.00 34.13 33.59 2rm4 s GLU 69 CO 0.77 -1.12 2.01 -1.35 0.02 0.00 0.00 175.26 175.59 2rm4 h PRO 70 N 7.49 0.43 0.00 0.39 0.11 -1.81 -2.81 132.00 135.79 2rm4 h PRO 70 Ca -0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2rm4 h PRO 70 Cb 0.98 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2rm4 h PRO 70 CO 0.37 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 178.52 2rm4 n ALA 71 N -2.49 0.00 -2.50 -0.75 0.00 -1.26 -4.81 120.51 108.71 2rm4 n ALA 71 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 2rm4 n ALA 71 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 2rm4 n ALA 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2rm4 s LYS 72 N -1.16 4.41 0.37 0.00 2.20 -1.26 -4.92 119.74 119.38 2rm4 s LYS 72 Ca 0.00 1.65 0.05 0.00 -0.36 0.00 0.00 55.97 57.31 2rm4 s LYS 72 Cb 0.00 -3.48 0.73 0.00 -1.51 0.00 0.00 37.83 33.57 2rm4 s LYS 72 CO 0.00 -0.33 1.99 1.96 -0.36 0.00 0.00 175.35 178.61 2rm4 h GLN 73 N 7.15 0.59 -6.14 4.03 1.08 -1.99 -3.46 115.11 116.37 2rm4 h GLN 73 Ca -0.37 -0.06 -0.43 0.00 -1.45 0.00 0.00 58.65 56.33 2rm4 h GLN 73 Cb 1.18 -0.12 0.03 0.00 -0.05 0.00 0.00 27.48 28.53 2rm4 h GLN 73 CO 0.84 0.46 -0.80 -0.25 -0.95 0.00 0.00 178.83 178.13 2rm4 n ASP 74 N -4.40 -2.39 -0.18 1.46 8.00 -1.26 -4.86 116.55 112.91 2rm4 n ASP 74 Ca 0.03 -0.80 0.05 0.00 0.71 0.00 0.00 54.79 54.78 2rm4 n ASP 74 Cb 0.12 -4.06 0.33 0.00 -0.02 0.00 0.00 41.12 37.49 2rm4 n ASP 74 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2rm4 h LEU 75 N -1.96 0.71 -1.36 0.64 5.85 -2.03 -1.34 115.31 115.82 2rm4 h LEU 75 Ca -0.60 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.15 2rm4 h LEU 75 Cb 1.36 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 2rm4 h LEU 75 CO 0.59 0.48 0.46 0.44 -0.34 0.00 0.00 178.44 180.08 2rm4 h ASP 76 N 0.82 0.71 0.00 1.25 3.32 -2.02 -3.46 116.42 117.03 2rm4 h ASP 76 Ca 0.29 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2rm4 h ASP 76 Cb 0.13 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2rm4 h ASP 76 CO -0.09 0.48 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 2rm4 n GLY 77 N -1.44 0.48 0.32 2.75 0.00 -0.50 -4.95 105.19 101.84 2rm4 n GLY 77 Ca 0.09 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 2rm4 n GLY 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2rm4 h HIS 78 N 0.00 1.02 -0.59 1.61 3.86 -1.90 -1.70 115.15 117.46 2rm4 h HIS 78 Ca 0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2rm4 h HIS 78 Cb 0.59 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2rm4 h HIS 78 CO 0.00 0.60 0.32 1.15 0.86 0.00 0.00 177.93 180.86 2rm4 h THR 79 N 1.06 1.18 -3.58 2.45 2.02 -1.92 -3.39 112.91 110.73 2rm4 h THR 79 Ca 0.33 -0.44 -0.65 0.00 0.77 0.00 0.00 66.41 66.42 2rm4 h THR 79 Cb -0.01 0.38 -0.15 0.00 -1.74 0.00 0.00 68.15 66.62 2rm4 h THR 79 CO -0.11 0.19 0.04 0.00 0.37 0.00 0.00 175.52 176.02 2rm4 s ALA 80 N -5.56 3.40 0.10 6.16 0.00 -0.64 -4.96 121.76 120.27 2rm4 s ALA 80 Ca -0.10 -1.16 -0.25 0.00 0.00 0.00 0.00 51.96 50.45 2rm4 s ALA 80 Cb 0.17 -3.19 -0.11 0.00 0.00 0.00 0.00 23.12 19.99 2rm4 s ALA 80 CO 0.77 -1.58 1.69 -1.35 0.00 0.00 0.00 175.76 175.29 2rm4 h PRO 81 N 8.71 -0.26 -7.16 0.00 0.11 -1.77 -3.44 132.00 128.19 2rm4 h PRO 81 Ca -0.26 0.02 -0.50 0.00 0.11 0.00 0.00 66.00 65.36 2rm4 h PRO 81 Cb 1.11 0.06 0.09 0.00 0.11 0.00 0.00 31.00 32.36 2rm4 h PRO 81 CO 0.84 -0.18 0.40 -1.25 -0.21 0.00 0.00 178.00 177.60 2rm4 s PRO 82 N -6.14 3.06 0.81 1.05 0.04 -1.26 -4.97 135.00 127.59 2rm4 s PRO 82 Ca -0.15 1.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.22 2rm4 s PRO 82 Cb 0.07 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.70 2rm4 s PRO 82 CO 0.66 -1.06 1.11 -2.30 0.04 0.00 0.00 177.00 175.44 2rm4 n PRO 83 N -1.96 0.18 -4.30 0.56 -0.02 -1.26 -5.01 135.00 123.19 2rm4 n PRO 83 Ca 0.11 0.13 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 2rm4 n PRO 83 Cb 0.52 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 2rm4 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rm4 s VAL 84 N -2.11 4.45 0.42 -1.45 1.01 -1.26 -5.00 120.40 116.45 2rm4 s VAL 84 Ca 0.72 -0.19 0.11 0.00 0.00 0.00 0.00 61.98 62.62 2rm4 s VAL 84 Cb -0.29 -2.89 0.31 0.00 0.00 0.00 0.00 36.38 33.51 2rm4 s VAL 84 CO 0.52 0.59 1.99 1.62 0.00 0.00 0.00 175.10 179.82 2rm4 h VAL 85 N 4.24 0.95 -6.06 2.92 3.04 -2.04 -3.46 116.25 115.85 2rm4 h VAL 85 Ca -0.49 -0.17 -0.41 0.00 -1.01 0.00 0.00 66.70 64.61 2rm4 h VAL 85 Cb 1.19 0.41 0.06 0.00 -2.01 0.00 0.00 31.29 30.94 2rm4 h VAL 85 CO 0.56 0.09 -0.81 -3.20 -1.01 0.00 0.00 177.57 173.20 2rm4 n ASN 86 N -4.48 -1.70 0.26 3.17 5.15 -1.26 -4.91 115.26 111.50 2rm4 n ASN 86 Ca 0.09 -0.79 -0.18 0.00 -0.60 0.00 0.00 54.58 53.10 2rm4 n ASN 86 Cb 0.29 -4.17 -0.09 0.00 -0.53 0.00 0.00 39.78 35.28 2rm4 n ASN 86 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2rm4 h LYS 87 N -1.91 -0.90 -7.05 1.20 3.11 -2.06 -3.42 116.57 105.54 2rm4 h LYS 87 Ca -0.61 0.06 -0.54 0.00 -2.81 0.00 0.00 60.65 56.75 2rm4 h LYS 87 Cb 1.36 0.21 0.13 0.00 -1.00 0.00 0.00 32.23 32.92 2rm4 h LYS 87 CO 0.57 -0.60 0.58 -1.25 -2.81 0.00 0.00 179.45 175.94 2rm4 s PRO 88 N -5.88 3.17 0.09 1.90 0.04 -1.26 -5.02 135.00 128.04 2rm4 s PRO 88 Ca -0.18 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.05 2rm4 s PRO 88 Cb 0.05 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2rm4 s PRO 88 CO 0.61 -1.13 0.05 -0.08 0.04 0.00 0.00 177.00 176.48 2rm4 s THR 89 N -1.35 4.32 0.31 1.26 -1.32 -1.26 -5.01 115.64 112.58 2rm4 s THR 89 Ca 0.71 -0.87 0.01 0.00 -1.21 0.00 0.00 61.69 60.33 2rm4 s THR 89 Cb -0.38 -3.08 0.20 0.00 -1.51 0.00 0.00 72.50 67.73 2rm4 s THR 89 CO 0.45 0.12 1.91 1.55 -2.21 0.00 0.00 174.62 176.43 2rm4 h PRO 90 N 3.33 0.81 -5.13 7.08 0.13 -1.96 -3.43 132.00 132.82 2rm4 h PRO 90 Ca -0.47 -0.11 -0.37 0.00 -0.87 0.00 0.00 66.00 64.17 2rm4 h PRO 90 Cb 1.16 -0.15 -0.21 0.00 0.13 0.00 0.00 31.00 31.93 2rm4 h PRO 90 CO 0.63 0.65 -0.77 0.14 -0.23 0.00 0.00 178.00 178.43 2rm4 s VAL 91 N -5.41 0.96 0.31 1.56 -7.23 -1.26 -5.04 120.40 104.29 2rm4 s VAL 91 Ca -0.10 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2rm4 s VAL 91 Cb 0.16 -0.95 0.12 0.00 0.56 0.00 0.00 36.38 36.27 2rm4 s VAL 91 CO 0.78 -0.27 1.81 0.07 -0.31 0.00 0.00 175.10 177.18 2rm4 h LYS 92 N 4.33 0.55 -6.97 4.82 2.10 -2.04 -3.44 116.57 115.92 2rm4 h LYS 92 Ca -0.39 -0.15 -0.51 0.00 -2.00 0.00 0.00 60.65 57.60 2rm4 h LYS 92 Cb 1.19 -0.07 0.06 0.00 -0.90 0.00 0.00 32.23 32.52 2rm4 h LYS 92 CO 0.41 0.63 0.51 -0.51 -2.00 0.00 0.00 179.45 178.49 2rm4 s LEU 93 N -8.96 4.12 0.38 7.07 1.43 -1.26 -4.96 118.68 116.51 2rm4 s LEU 93 Ca -0.08 2.39 -0.28 0.00 -1.03 0.00 0.00 54.13 55.13 2rm4 s LEU 93 Cb 0.15 -4.10 -0.10 0.00 0.03 0.00 0.00 46.19 42.17 2rm4 s LEU 93 CO 0.78 -0.82 1.44 -2.16 0.23 0.00 0.00 176.35 175.82 2rm4 s PRO 94 N -2.46 4.08 0.53 1.29 0.04 -1.26 -4.88 135.00 132.34 2rm4 s PRO 94 Ca 0.60 2.47 0.19 0.00 0.04 0.00 0.00 61.00 64.29 2rm4 s PRO 94 Cb -0.31 -2.93 1.34 0.00 0.04 0.00 0.00 34.50 32.64 2rm4 s PRO 94 CO 0.39 -0.51 2.14 0.45 0.04 0.00 0.00 177.00 179.51 2rm4 h HIS 95 N 2.95 0.00 -2.95 0.56 3.86 -1.92 -3.42 115.15 114.22 2rm4 h HIS 95 Ca -0.50 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.10 2rm4 h HIS 95 Cb 1.24 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.60 2rm4 h HIS 95 CO 0.53 0.00 -0.65 -0.06 0.86 0.00 0.00 177.93 178.61 2rm4 s PHE 96 N -5.01 2.92 0.13 2.45 0.08 -1.26 -5.13 117.98 112.15 2rm4 s PHE 96 Ca -0.05 -0.10 0.09 0.00 0.12 0.00 0.00 56.93 56.99 2rm4 s PHE 96 Cb 0.17 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.15 2rm4 s PHE 96 CO 0.66 0.51 -0.14 -1.12 -0.10 0.00 0.00 175.22 175.03 2rm4 s SER 97 N -2.83 4.09 0.15 1.36 0.01 -1.26 -5.13 113.70 110.10 2rm4 s SER 97 Ca 0.27 -0.53 -0.08 0.00 1.31 0.00 0.00 55.95 56.93 2rm4 s SER 97 Cb -0.10 -0.65 -0.06 0.00 0.21 0.00 0.00 66.02 65.42 2rm4 s SER 97 CO 0.19 0.16 0.44 0.20 0.41 0.00 0.00 173.24 174.63 2rm4 s ASN 98 N -2.35 6.57 0.41 2.44 0.02 -1.26 -4.98 114.94 115.79 2rm4 s ASN 98 Ca 0.21 0.74 0.10 0.00 -1.02 0.00 0.00 52.86 52.88 2rm4 s ASN 98 Cb -0.10 -2.15 0.88 0.00 0.02 0.00 0.00 41.25 39.89 2rm4 s ASN 98 CO 0.12 0.04 1.99 0.40 0.02 0.00 0.00 177.10 179.68 2rm4 h ILE 99 N 2.23 1.13 -3.30 0.60 2.04 -2.09 -3.40 117.51 114.72 2rm4 h ILE 99 Ca -0.47 -0.48 -0.58 0.00 1.00 0.00 0.00 64.86 64.33 2rm4 h ILE 99 Cb 1.17 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 38.12 2rm4 h ILE 99 CO 0.70 0.16 -0.22 -0.22 0.00 0.00 0.00 178.15 178.57 2rm4 s LEU 100 N -9.05 4.27 0.00 1.44 2.96 -1.26 -5.38 118.68 111.66 2rm4 s LEU 100 Ca -0.06 0.70 0.09 0.00 -0.22 0.00 0.00 54.13 54.63 2rm4 s LEU 100 Cb 0.16 -2.56 0.07 0.00 0.50 0.00 0.00 46.19 44.37 2rm4 s LEU 100 CO 0.72 0.06 0.79 0.61 -1.32 0.00 0.00 176.35 177.21