#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rm4 s ALA 0 N 0.00 3.03 -0.07 4.61 0.00 -1.26 -5.03 121.76 123.05 2rm4 s ALA 0 Ca 0.00 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 2rm4 s ALA 0 Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.64 2rm4 s ALA 0 CO 0.00 -1.05 0.34 -1.64 0.00 0.00 0.00 175.76 173.41 2rm4 s MET 1 N -2.62 0.56 0.07 0.00 1.00 -1.26 -5.17 119.30 111.89 2rm4 s MET 1 Ca 0.64 0.14 -0.06 0.00 0.00 0.00 0.00 55.69 56.41 2rm4 s MET 1 Cb -0.38 0.26 -0.01 0.00 0.00 0.00 0.00 34.83 34.70 2rm4 s MET 1 CO 0.47 -0.13 0.11 0.20 0.00 0.00 0.00 175.02 175.67 2rm4 s GLY 2 N -0.63 0.21 -0.90 -0.03 0.00 -1.26 -5.05 107.32 99.66 2rm4 s GLY 2 Ca -0.07 -0.77 -0.07 0.00 0.00 0.00 0.00 44.72 43.81 2rm4 s GLY 2 CO 0.03 -0.93 3.07 -1.55 0.00 0.00 0.00 173.10 173.72 2rm4 n PRO 3 N 0.13 3.13 -0.41 2.90 -0.04 -1.26 -4.43 135.00 135.01 2rm4 n PRO 3 Ca -0.15 -2.03 0.11 0.00 -0.04 0.00 0.00 63.50 61.39 2rm4 n PRO 3 Cb 0.61 -2.43 0.33 0.00 -0.04 0.00 0.00 33.50 31.97 2rm4 n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2rm4 n THR 4 N 2.59 1.11 -1.86 0.52 -2.24 -1.26 -4.96 114.28 108.18 2rm4 n THR 4 Ca 0.61 -1.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.09 2rm4 n THR 4 Cb 0.50 0.44 0.11 0.00 -2.10 0.00 0.00 70.33 69.27 2rm4 n THR 4 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2rm4 s ASP 5 N -0.98 4.17 0.00 3.42 1.47 -1.26 -4.56 116.67 118.92 2rm4 s ASP 5 Ca 0.49 0.72 0.24 0.00 1.18 0.00 0.00 52.55 55.18 2rm4 s ASP 5 Cb 0.27 -1.15 1.28 0.00 -0.34 0.00 0.00 42.92 42.98 2rm4 s ASP 5 CO 0.32 -2.11 1.80 0.00 0.68 0.00 0.00 175.17 175.85 2rm4 n GLN 6 N -3.44 0.47 0.12 2.11 6.02 -1.26 -3.83 117.38 117.57 2rm4 n GLN 6 Ca 0.09 0.04 0.01 0.00 -0.01 0.00 0.00 57.00 57.14 2rm4 n GLN 6 Cb 0.61 -1.50 0.34 0.00 1.02 0.00 0.00 30.24 30.70 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 0.21 1.23 1.08 3.32 -1.97 -1.98 116.42 118.31 2rm4 h ASP 7 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2rm4 h ASP 7 Cb 0.15 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2rm4 h ASP 7 CO 0.00 0.45 0.00 0.79 -1.72 0.00 0.00 179.24 178.76 2rm4 n TRP 8 N -4.18 0.72 -1.69 4.55 5.03 -1.25 -4.88 117.44 115.74 2rm4 n TRP 8 Ca -0.01 0.23 -0.44 0.00 3.03 0.00 0.00 57.50 60.30 2rm4 n TRP 8 Cb 0.34 -0.87 -0.03 0.00 -1.03 0.00 0.00 31.31 29.73 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 -2.10 0.66 -0.72 -0.99 2.08 -0.75 -0.64 119.36 116.90 2rm4 n ILE 9 Ca 0.05 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.19 2rm4 n ILE 9 Cb 0.37 -1.66 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 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 2.61 0.97 3.86 7.39 0.00 0.30 -4.95 105.19 115.38 2rm4 n GLY 10 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.53 3.60 0.09 0.00 0.00 -0.94 -1.84 121.76 120.15 2rm4 s ALA 12 Ca 0.54 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.02 2rm4 s ALA 12 Cb -0.10 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2rm4 s ALA 12 CO 0.33 -0.78 -0.07 0.14 0.00 0.00 0.00 175.76 175.38 2rm4 s VAL 13 N 2.42 0.72 -0.00 0.00 -7.23 -1.04 -0.78 120.40 114.48 2rm4 s VAL 13 Ca 0.24 -1.82 0.08 0.00 -1.81 0.00 0.00 61.98 58.67 2rm4 s VAL 13 Cb -0.16 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 2rm4 s VAL 13 CO 0.09 -0.79 -0.25 -0.55 -0.31 0.00 0.00 175.10 173.29 2rm4 s SER 14 N -2.84 2.92 -0.14 4.85 0.15 -0.45 -2.63 113.70 115.56 2rm4 s SER 14 Ca 0.09 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.28 2rm4 s SER 14 Cb 0.03 -0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2rm4 s SER 14 CO -0.04 0.29 -0.18 -0.63 1.20 0.00 0.00 173.24 173.88 2rm4 s ILE 15 N -0.63 1.79 -0.42 6.45 -1.09 -0.49 -2.11 121.20 124.71 2rm4 s ILE 15 Ca 0.10 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.56 2rm4 s ILE 15 Cb -0.10 -1.63 0.02 0.00 -1.58 0.00 0.00 42.46 39.18 2rm4 s ILE 15 CO -0.00 0.50 0.37 0.00 -1.23 0.00 0.00 174.94 174.57 2rm4 s ALA 16 N 1.13 3.45 0.47 9.38 0.00 -0.65 -2.43 121.76 133.12 2rm4 s ALA 16 Ca -0.01 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.35 2rm4 s ALA 16 Cb -0.14 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.02 2rm4 s ALA 16 CO -0.06 -1.52 0.68 0.00 0.00 0.00 0.00 175.76 174.85 2rm4 n ASP 18 N -2.10 -1.59 -0.15 0.00 2.03 -1.22 -4.24 116.55 109.27 2rm4 n ASP 18 Ca 0.04 -0.09 0.19 0.00 0.52 0.00 0.00 54.79 55.44 2rm4 n ASP 18 Cb 0.58 -1.26 0.57 0.00 -0.72 0.00 0.00 41.12 40.30 2rm4 n ASP 18 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2rm4 h GLU 19 N -2.55 0.28 0.00 -0.67 4.11 -1.96 0.23 114.58 114.01 2rm4 h GLU 19 Ca -0.59 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 58.74 2rm4 h GLU 19 Cb 1.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2rm4 h GLU 19 CO 0.47 0.18 -0.41 0.28 0.07 0.00 0.00 179.01 179.60 2rm4 h VAL 20 N 0.28 0.84 0.00 -1.06 2.07 -2.01 -3.14 116.25 113.23 2rm4 h VAL 20 Ca 0.37 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2rm4 h VAL 20 Cb 1.04 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2rm4 h VAL 20 CO -0.09 0.41 -0.87 0.18 0.02 0.00 0.00 177.57 177.22 2rm4 n LEU 21 N -3.38 0.66 0.00 2.57 4.77 0.76 -5.06 117.00 117.32 2rm4 n LEU 21 Ca 0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2rm4 n LEU 21 Cb 0.60 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2rm4 n LEU 21 CO 0.38 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2rm4 n GLY 22 N 1.34 0.67 3.08 -0.72 0.00 -0.93 -4.83 105.19 103.79 2rm4 n GLY 22 Ca 0.02 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 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 0.91 0.13 1.61 1.01 -1.26 -1.83 120.40 120.96 2rm4 s VAL 23 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.39 2rm4 s VAL 23 Cb 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2rm4 s VAL 23 CO 0.00 0.15 -0.09 0.72 0.00 0.00 0.00 175.10 175.88 2rm4 s PHE 24 N -0.46 1.13 0.02 5.22 -0.12 -1.02 -2.29 117.98 120.46 2rm4 s PHE 24 Ca 0.03 -0.81 0.01 0.00 -0.05 0.00 0.00 56.93 56.11 2rm4 s PHE 24 Cb -0.05 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.72 2rm4 s PHE 24 CO 0.00 0.00 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.47 2rm4 s GLN 25 N -3.74 0.37 -0.04 1.99 -0.21 0.19 -1.39 119.66 116.83 2rm4 s GLN 25 Ca 0.15 -0.49 -0.31 0.00 0.02 0.00 0.00 55.36 54.72 2rm4 s GLN 25 Cb 0.03 -0.17 0.13 0.00 1.00 0.00 0.00 33.01 34.00 2rm4 s GLN 25 CO -0.01 0.03 1.31 0.20 -2.12 0.00 0.00 175.29 174.70 2rm4 s GLY 26 N -1.02 -0.43 -0.00 3.09 0.00 -1.08 -2.17 107.32 105.71 2rm4 s GLY 26 Ca -0.08 0.78 -0.19 0.00 0.00 0.00 0.00 44.72 45.23 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 4.43 0.28 0.66 1.43 -1.25 -2.51 118.68 118.78 2rm4 s LEU 27 Ca 0.14 1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 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 0.14 1.37 -0.63 0.23 0.00 0.00 176.35 177.42 2rm4 s ILE 28 N -0.35 2.74 -0.10 -0.59 1.01 -0.76 -1.86 121.20 121.30 2rm4 s ILE 28 Ca 0.29 0.67 0.10 0.00 0.00 0.00 0.00 60.65 61.71 2rm4 s ILE 28 Cb -0.18 -3.43 -0.14 0.00 0.01 0.00 0.00 42.46 38.72 2rm4 s ILE 28 CO 0.16 0.13 0.07 1.17 0.00 0.00 0.00 174.94 176.47 2rm4 n LYS 29 N 1.71 1.94 -3.56 2.79 3.00 -0.10 0.11 118.16 124.05 2rm4 n LYS 29 Ca 0.04 -0.02 -0.17 0.00 -0.00 0.00 0.00 58.31 58.16 2rm4 n LYS 29 Cb 0.41 -1.28 -0.06 0.00 0.00 0.00 0.00 35.03 34.09 2rm4 n LYS 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2rm4 s GLN 30 N -2.35 0.99 -0.01 1.64 0.74 -1.00 -4.79 119.66 114.89 2rm4 s GLN 30 Ca -0.05 0.31 0.01 0.00 0.05 0.00 0.00 55.36 55.68 2rm4 s GLN 30 Cb 0.04 0.47 0.01 0.00 1.10 0.00 0.00 33.01 34.62 2rm4 s GLN 30 CO 0.46 -0.29 -0.01 0.42 -0.55 0.00 0.00 175.29 175.32 2rm4 s ILE 31 N -1.00 0.15 0.07 -2.34 1.01 -1.26 -1.39 121.20 116.44 2rm4 s ILE 31 Ca -0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.44 2rm4 s ILE 31 Cb -0.01 -0.16 -0.00 0.00 0.01 0.00 0.00 42.46 42.29 2rm4 s ILE 31 CO 0.08 0.07 0.18 -0.94 0.00 0.00 0.00 174.94 174.33 2rm4 s SER 32 N 0.25 0.12 0.62 3.58 1.04 -0.79 -4.85 113.70 113.65 2rm4 s SER 32 Ca -0.02 -0.59 0.31 0.00 0.48 0.00 0.00 55.95 56.13 2rm4 s SER 32 Cb -0.04 0.31 1.72 0.00 0.10 0.00 0.00 66.02 68.11 2rm4 s SER 32 CO -0.01 -0.67 2.07 0.00 0.98 0.00 0.00 173.24 175.61 2rm4 h ALA 33 N 3.00 1.66 0.00 5.32 0.00 -1.99 -1.46 119.26 125.78 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 -0.33 -1.62 0.39 0.00 0.00 0.00 179.25 178.23 2rm4 n GLU 34 N -3.50 0.63 -3.56 0.00 -0.58 -1.26 -4.89 120.64 107.49 2rm4 n GLU 34 Ca 0.01 0.16 -0.13 0.00 -0.42 0.00 0.00 57.16 56.78 2rm4 n GLU 34 Cb 0.35 -1.74 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 2rm4 n GLU 34 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2rm4 s GLU 35 N -2.90 1.09 -0.06 3.49 -1.05 -0.55 -3.68 118.70 115.06 2rm4 s GLU 35 Ca -0.04 -0.40 0.04 0.00 -0.15 0.00 0.00 54.97 54.42 2rm4 s GLU 35 Cb 0.09 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.25 2rm4 s GLU 35 CO 0.82 -0.42 -0.15 0.42 0.95 0.00 0.00 175.26 176.88 2rm4 s ILE 36 N -3.04 2.96 -0.06 1.83 -1.09 -0.95 -1.89 121.20 118.96 2rm4 s ILE 36 Ca -0.02 -0.75 0.04 0.00 -2.23 0.00 0.00 60.65 57.68 2rm4 s ILE 36 Cb -0.00 -2.16 0.00 0.00 -1.58 0.00 0.00 42.46 38.72 2rm4 s ILE 36 CO -0.06 0.58 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.17 2rm4 s THR 37 N -0.60 1.47 0.28 2.92 2.01 -0.49 -2.43 115.64 118.81 2rm4 s THR 37 Ca 0.09 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2rm4 s THR 37 Cb -0.11 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 2rm4 s THR 37 CO 0.01 0.42 0.11 0.27 -0.69 0.00 0.00 174.62 174.74 2rm4 s ILE 38 N 0.25 0.56 0.23 1.82 -4.36 -0.74 -0.92 121.20 118.05 2rm4 s ILE 38 Ca -0.09 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.35 2rm4 s ILE 38 Cb -0.14 -2.61 -0.05 0.00 1.25 0.00 0.00 42.46 40.91 2rm4 s ILE 38 CO 0.04 0.00 -0.06 0.68 0.24 0.00 0.00 174.94 175.83 2rm4 s VAL 39 N -3.64 1.41 -0.85 8.37 -7.23 -0.78 -1.62 120.40 116.06 2rm4 s VAL 39 Ca 0.36 -2.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 2rm4 s VAL 39 Cb 0.07 -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 0.75 0.54 -0.31 0.00 0.00 175.10 175.80 2rm4 n ARG 40 N -0.44 -1.54 -2.09 4.82 5.12 -0.93 -3.75 116.66 117.85 2rm4 n ARG 40 Ca -0.06 1.21 -0.42 0.00 -1.93 0.00 0.00 57.85 56.65 2rm4 n ARG 40 Cb 0.63 -5.35 -0.03 0.00 -1.16 0.00 0.00 32.46 26.54 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 3.63 -0.08 7.54 0.00 -1.26 -4.68 121.76 123.79 2rm4 s ALA 41 Ca 0.14 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.17 2rm4 s ALA 41 Cb -0.03 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 2rm4 s ALA 41 CO 0.77 -0.98 -0.15 -0.06 0.00 0.00 0.00 175.76 175.34 2rm4 s PHE 42 N 2.41 2.72 0.02 0.00 0.40 -0.92 -2.78 117.98 119.84 2rm4 s PHE 42 Ca 0.68 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.65 2rm4 s PHE 42 Cb -0.36 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 2rm4 s PHE 42 CO 0.29 0.00 -0.08 1.03 0.70 0.00 0.00 175.22 177.16 2rm4 s ARG 43 N -0.27 0.57 -1.56 0.44 0.52 -0.63 -0.63 118.95 117.38 2rm4 s ARG 43 Ca 0.02 -0.55 -0.14 0.00 -0.52 0.00 0.00 55.73 54.54 2rm4 s ARG 43 Cb -0.13 -0.46 0.10 0.00 0.52 0.00 0.00 34.95 34.98 2rm4 s ARG 43 CO 0.03 0.11 0.95 0.09 0.02 0.00 0.00 175.30 176.50 2rm4 n ASN 44 N 2.10 -4.54 -1.61 0.23 5.03 -0.97 -1.23 115.26 114.28 2rm4 n ASN 44 Ca -0.18 -0.82 -0.19 0.00 0.87 0.00 0.00 54.58 54.26 2rm4 n ASN 44 Cb 0.56 -3.70 -0.07 0.00 -1.02 0.00 0.00 39.78 35.55 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 -1.65 1.36 3.05 7.41 0.00 -1.26 -4.96 105.19 109.14 2rm4 n GLY 45 Ca 0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.76 0.11 0.32 1.61 1.01 -0.36 -5.14 120.40 115.19 2rm4 s VAL 46 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 2rm4 s VAL 46 Cb 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.78 2rm4 s VAL 46 CO 0.00 -0.51 1.10 -2.84 0.00 0.00 0.00 175.10 172.85 2rm4 s PRO 47 N -1.79 4.47 0.48 2.72 0.02 -1.26 -1.61 135.00 138.03 2rm4 s PRO 47 Ca -0.12 1.74 -0.19 0.00 0.02 0.00 0.00 61.00 62.45 2rm4 s PRO 47 Cb -0.07 -2.99 -0.09 0.00 0.02 0.00 0.00 34.50 31.38 2rm4 s PRO 47 CO -0.01 0.08 0.99 -0.51 -0.33 0.00 0.00 177.00 177.21 2rm4 s LEU 48 N -1.83 3.79 0.34 -5.54 1.43 -1.12 -4.87 118.68 110.88 2rm4 s LEU 48 Ca 0.49 1.73 0.05 0.00 -1.03 0.00 0.00 54.13 55.37 2rm4 s LEU 48 Cb -0.30 -4.54 0.69 0.00 0.03 0.00 0.00 46.19 42.07 2rm4 s LEU 48 CO 0.38 -0.60 1.91 -0.09 0.23 0.00 0.00 176.35 178.18 2rm4 h ARG 49 N 1.43 0.81 -3.75 1.70 2.43 -1.96 -3.29 114.38 111.74 2rm4 h ARG 49 Ca -0.48 -0.05 -0.79 0.00 -0.81 0.00 0.00 59.98 57.85 2rm4 h ARG 49 Cb 1.19 -0.18 -0.27 0.00 -0.42 0.00 0.00 29.97 30.30 2rm4 h ARG 49 CO 0.60 0.54 0.19 0.15 -1.51 0.00 0.00 179.97 179.94 2rm4 s LYS 50 N -5.76 3.76 0.41 0.20 1.02 -1.26 -4.86 119.74 113.25 2rm4 s LYS 50 Ca -0.10 -2.68 0.10 0.00 0.02 0.00 0.00 55.97 53.31 2rm4 s LYS 50 Cb 0.20 -4.45 0.88 0.00 -0.52 0.00 0.00 37.83 33.94 2rm4 s LYS 50 CO 0.79 -1.28 1.97 1.96 -0.92 0.00 0.00 175.35 177.88 2rm4 h GLN 51 N 7.46 0.23 0.00 1.68 4.20 -1.90 -2.61 115.11 124.17 2rm4 h GLN 51 Ca 0.13 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2rm4 h GLN 51 Cb 0.99 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2rm4 h GLN 51 CO 0.82 0.31 -0.17 -0.91 -0.67 0.00 0.00 178.83 178.21 2rm4 h ASN 52 N 0.23 0.00 -3.58 1.46 2.35 -1.94 -2.47 115.58 111.63 2rm4 h ASN 52 Ca 0.05 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.28 2rm4 h ASN 52 Cb 0.26 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.65 2rm4 h ASN 52 CO 0.01 0.17 0.55 0.00 -1.65 0.00 0.00 177.43 176.51 2rm4 s ALA 53 N -3.63 3.44 0.27 -0.83 0.00 -0.98 -4.75 121.76 115.27 2rm4 s ALA 53 Ca 0.01 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 52.84 2rm4 s ALA 53 Cb 0.10 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 2rm4 s ALA 53 CO 0.62 -0.36 0.61 -1.83 0.00 0.00 0.00 175.76 174.80 2rm4 s GLU 54 N -0.61 3.83 -0.22 0.00 -1.05 -1.26 -4.12 118.70 115.26 2rm4 s GLU 54 Ca 0.51 0.35 -0.08 0.00 -0.15 0.00 0.00 54.97 55.59 2rm4 s GLU 54 Cb -0.33 -2.58 -0.04 0.00 -0.44 0.00 0.00 34.13 30.74 2rm4 s GLU 54 CO 0.39 0.24 0.10 0.08 0.95 0.00 0.00 175.26 177.02 2rm4 s VAL 55 N -1.93 4.85 -0.22 1.83 1.01 -0.64 -4.96 120.40 120.34 2rm4 s VAL 55 Ca 0.49 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.48 2rm4 s VAL 55 Cb -0.11 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.09 2rm4 s VAL 55 CO 0.22 0.39 -0.09 -0.69 0.00 0.00 0.00 175.10 174.93 2rm4 s VAL 56 N 0.92 1.75 -0.03 2.92 1.01 -1.26 -1.78 120.40 123.93 2rm4 s VAL 56 Ca 0.05 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 60.86 2rm4 s VAL 56 Cb -0.14 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 2rm4 s VAL 56 CO 0.03 0.06 -0.14 -0.76 0.00 0.00 0.00 175.10 174.29 2rm4 s LEU 57 N 1.32 1.92 0.30 3.92 1.43 -1.02 -4.98 118.68 121.58 2rm4 s LEU 57 Ca -0.04 -0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 2rm4 s LEU 57 Cb -0.18 -0.78 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 2rm4 s LEU 57 CO -0.07 0.14 1.09 -0.54 0.23 0.00 0.00 176.35 177.19 2rm4 s LYS 58 N -0.06 4.54 0.48 1.70 1.02 -1.26 -2.23 119.74 123.93 2rm4 s LYS 58 Ca -0.00 1.74 0.20 0.00 0.02 0.00 0.00 55.97 57.93 2rm4 s LYS 58 Cb -0.09 -3.06 1.23 0.00 -0.52 0.00 0.00 37.83 35.39 2rm4 s LYS 58 CO 0.01 0.14 1.97 0.00 -0.92 0.00 0.00 175.35 176.55 2rm4 h THR 60 N 0.20 0.69 0.00 0.00 1.35 -1.91 -2.19 112.91 111.06 2rm4 h THR 60 Ca 0.29 -0.61 -0.09 0.00 -0.55 0.00 0.00 66.41 65.46 2rm4 h THR 60 Cb 0.88 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 2rm4 h THR 60 CO -0.05 0.14 -1.12 0.44 -0.25 0.00 0.00 175.52 174.68 2rm4 h ASP 61 N 0.00 0.00 -3.80 5.36 3.32 -1.38 -3.46 116.42 116.46 2rm4 h ASP 61 Ca -0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 2rm4 h ASP 61 Cb 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2rm4 h ASP 61 CO 0.02 0.31 0.31 -0.63 -1.72 0.00 0.00 179.24 177.53 2rm4 s ILE 62 N -3.12 4.23 -0.21 0.35 1.01 -0.82 -3.44 121.20 119.21 2rm4 s ILE 62 Ca -0.01 1.81 0.13 0.00 0.00 0.00 0.00 60.65 62.58 2rm4 s ILE 62 Cb 0.09 -4.06 -0.22 0.00 0.01 0.00 0.00 42.46 38.27 2rm4 s ILE 62 CO 0.79 0.24 -0.02 -1.14 0.00 0.00 0.00 174.94 174.82 2rm4 n ARG 63 N 0.83 0.75 -3.50 2.79 3.00 -0.52 -4.91 116.66 115.10 2rm4 n ARG 63 Ca 0.00 0.04 -0.16 0.00 -0.00 0.00 0.00 57.85 57.73 2rm4 n ARG 63 Cb 0.49 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.40 2rm4 n ARG 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rm4 s SER 64 N -5.70 -0.62 0.02 6.15 0.15 -1.09 -5.04 113.70 107.56 2rm4 s SER 64 Ca -0.17 0.53 0.01 0.00 0.70 0.00 0.00 55.95 57.02 2rm4 s SER 64 Cb 0.07 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2rm4 s SER 64 CO 0.74 -0.67 -0.04 -0.63 1.20 0.00 0.00 173.24 173.83 2rm4 s ILE 65 N -1.77 0.24 -0.03 6.45 1.01 -1.26 -1.63 121.20 124.20 2rm4 s ILE 65 Ca -0.08 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2rm4 s ILE 65 Cb -0.00 -0.32 0.03 0.00 0.01 0.00 0.00 42.46 42.17 2rm4 s ILE 65 CO 0.04 -0.33 0.00 1.51 0.00 0.00 0.00 174.94 176.17 2rm4 s ASP 66 N -1.12 0.46 -0.35 3.58 -4.77 -0.90 -5.01 116.67 108.57 2rm4 s ASP 66 Ca -0.10 -0.02 -0.29 0.00 -3.30 0.00 0.00 52.55 48.84 2rm4 s ASP 66 Cb -0.08 -0.22 0.01 0.00 -1.09 0.00 0.00 42.92 41.55 2rm4 s ASP 66 CO -0.00 -0.11 1.25 -0.76 0.70 0.00 0.00 175.17 176.25 2rm4 s LEU 67 N 1.08 3.81 -0.03 2.11 1.43 -1.26 -1.34 118.68 124.48 2rm4 s LEU 67 Ca -0.09 1.01 -0.21 0.00 -1.03 0.00 0.00 54.13 53.80 2rm4 s LEU 67 Cb -0.13 -3.54 -0.28 0.00 0.03 0.00 0.00 46.19 42.26 2rm4 s LEU 67 CO -0.02 -1.12 0.97 0.40 0.23 0.00 0.00 176.35 176.81 2rm4 h ILE 68 N 6.03 1.49 -2.80 -0.59 2.04 -1.29 -3.43 117.51 118.96 2rm4 h ILE 68 Ca -0.25 -2.35 -0.57 0.00 1.00 0.00 0.00 64.86 62.69 2rm4 h ILE 68 Cb 1.09 2.98 -0.40 0.00 -0.74 0.00 0.00 36.82 39.75 2rm4 h ILE 68 CO 1.06 0.67 -0.80 -1.61 0.00 0.00 0.00 178.15 177.47 2rm4 s GLU 69 N -2.72 0.58 0.51 2.37 0.41 -0.86 -4.99 118.70 113.99 2rm4 s GLU 69 Ca -0.14 -1.14 0.17 0.00 -0.41 0.00 0.00 54.97 53.45 2rm4 s GLU 69 Cb 0.02 -1.53 1.25 0.00 -1.78 0.00 0.00 34.13 32.09 2rm4 s GLU 69 CO 0.82 -1.11 2.11 -1.00 -0.49 0.00 0.00 175.26 175.59 2rm4 h PRO 70 N 7.58 0.00 -5.52 0.39 0.13 -1.83 -2.50 132.00 130.24 2rm4 h PRO 70 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2rm4 h PRO 70 Cb 0.98 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.05 2rm4 h PRO 70 CO 0.38 0.06 -0.98 0.00 -0.23 0.00 0.00 178.00 177.24 2rm4 n ALA 71 N -2.50 -2.70 -2.50 -0.56 0.00 -1.26 -4.74 120.51 106.25 2rm4 n ALA 71 Ca -0.03 1.14 -0.34 0.00 0.00 0.00 0.00 53.44 54.22 2rm4 n ALA 71 Cb 0.14 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.10 2rm4 n ALA 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2rm4 s LYS 72 N -0.68 3.80 -1.41 0.00 1.02 -1.26 -4.27 119.74 116.93 2rm4 s LYS 72 Ca -0.13 0.23 -0.07 0.00 0.02 0.00 0.00 55.97 56.02 2rm4 s LYS 72 Cb 0.01 -2.87 0.04 0.00 -0.52 0.00 0.00 37.83 34.49 2rm4 s LYS 72 CO 0.47 0.47 0.91 1.04 -0.92 0.00 0.00 175.35 177.32 2rm4 n GLN 73 N 0.49 -5.71 -0.20 1.68 6.02 -1.26 -4.87 117.38 113.54 2rm4 n GLN 73 Ca -0.04 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 2rm4 n GLN 73 Cb 0.52 -5.46 0.25 0.00 1.02 0.00 0.00 30.24 26.58 2rm4 n GLN 73 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2rm4 h ASP 74 N -2.09 0.83 -3.24 1.08 3.32 -1.95 -3.24 116.42 111.13 2rm4 h ASP 74 Ca -0.59 -0.03 -0.61 0.00 0.02 0.00 0.00 57.03 55.82 2rm4 h ASP 74 Cb 1.37 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.58 2rm4 h ASP 74 CO 0.61 0.62 -0.52 -0.22 -1.72 0.00 0.00 179.24 178.01 2rm4 s LEU 75 N -9.79 4.06 -1.42 1.55 2.96 -1.26 -4.47 118.68 110.31 2rm4 s LEU 75 Ca -0.11 0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 2rm4 s LEU 75 Cb 0.18 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.87 2rm4 s LEU 75 CO 0.78 0.19 0.85 0.47 -1.32 0.00 0.00 176.35 177.32 2rm4 n ASP 76 N 3.42 -3.08 0.00 3.68 8.00 -1.26 -4.93 116.55 122.37 2rm4 n ASP 76 Ca -0.16 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2rm4 n ASP 76 Cb 0.52 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 2rm4 n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rm4 n GLY 77 N -1.66 -0.27 0.34 0.44 0.00 -1.22 -3.88 105.19 98.94 2rm4 n GLY 77 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 2rm4 n GLY 77 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2rm4 h HIS 78 N 0.00 1.11 -0.97 1.61 -0.00 -1.92 -2.47 115.15 112.51 2rm4 h HIS 78 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.41 2rm4 h HIS 78 Cb 0.00 -0.38 -0.05 0.00 -0.00 0.00 0.00 27.41 26.98 2rm4 h HIS 78 CO 0.00 0.70 0.64 1.15 -0.00 0.00 0.00 177.93 180.42 2rm4 h THR 79 N 1.20 1.24 -2.72 6.26 2.02 -1.98 -3.33 112.91 115.61 2rm4 h THR 79 Ca 0.33 -0.45 -0.61 0.00 0.77 0.00 0.00 66.41 66.45 2rm4 h THR 79 Cb -0.14 -0.18 -0.40 0.00 -1.74 0.00 0.00 68.15 65.69 2rm4 h THR 79 CO -0.07 0.24 -0.76 0.00 0.37 0.00 0.00 175.52 175.30 2rm4 n ALA 80 N -2.37 3.19 -1.77 6.16 0.00 -0.96 -5.10 120.51 119.66 2rm4 n ALA 80 Ca 0.11 -3.92 -0.40 0.00 0.00 0.00 0.00 53.44 49.23 2rm4 n ALA 80 Cb 0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 2rm4 n ALA 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rm4 s PRO 81 N -0.87 4.40 0.12 0.00 0.04 -1.05 -4.65 135.00 133.00 2rm4 s PRO 81 Ca 0.29 2.09 -0.20 0.00 0.04 0.00 0.00 61.00 63.23 2rm4 s PRO 81 Cb 0.00 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 2rm4 s PRO 81 CO -0.18 -0.10 1.76 -1.35 0.04 0.00 0.00 177.00 177.17 2rm4 h PRO 82 N 3.44 0.16 -6.94 0.56 0.11 -1.95 -3.42 132.00 123.96 2rm4 h PRO 82 Ca -0.48 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.08 2rm4 h PRO 82 Cb 1.22 -0.04 0.10 0.00 0.11 0.00 0.00 31.00 32.40 2rm4 h PRO 82 CO 0.66 0.11 0.76 -2.14 -0.21 0.00 0.00 178.00 177.17 2rm4 s PRO 83 N -6.18 4.10 0.15 1.05 0.02 -1.26 -4.91 135.00 127.98 2rm4 s PRO 83 Ca -0.13 2.52 -0.13 0.00 0.02 0.00 0.00 61.00 63.28 2rm4 s PRO 83 Cb 0.09 -2.95 0.04 0.00 0.02 0.00 0.00 34.50 31.69 2rm4 s PRO 83 CO 0.69 -0.52 1.69 0.28 -0.33 0.00 0.00 177.00 178.81 2rm4 h VAL 84 N 2.93 1.23 -3.70 3.83 2.07 -2.03 -3.44 116.25 117.13 2rm4 h VAL 84 Ca -0.51 -0.75 -0.32 0.00 0.82 0.00 0.00 66.70 65.94 2rm4 h VAL 84 Cb 1.24 0.75 -0.17 0.00 -1.52 0.00 0.00 31.29 31.59 2rm4 h VAL 84 CO 0.64 0.28 -0.73 0.68 0.02 0.00 0.00 177.57 178.46 2rm4 s VAL 85 N -5.44 0.96 -1.57 2.57 -7.23 -1.26 -5.03 120.40 103.40 2rm4 s VAL 85 Ca -0.13 -1.68 0.12 0.00 -1.81 0.00 0.00 61.98 58.48 2rm4 s VAL 85 Cb 0.12 -1.41 0.42 0.00 0.56 0.00 0.00 36.38 36.06 2rm4 s VAL 85 CO 0.79 -0.58 1.30 -0.46 -0.31 0.00 0.00 175.10 175.84 2rm4 n ASN 86 N 0.48 2.80 0.38 4.85 6.94 -1.26 -4.53 115.26 124.91 2rm4 n ASN 86 Ca -0.15 -2.16 -0.19 0.00 -0.02 0.00 0.00 54.58 52.05 2rm4 n ASN 86 Cb 0.58 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 37.51 2rm4 n ASN 86 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 2rm4 h LYS 87 N 2.52 -1.08 -7.05 -3.83 1.57 -2.00 -3.43 116.57 103.27 2rm4 h LYS 87 Ca 0.00 0.07 -0.54 0.00 -1.87 0.00 0.00 60.65 58.31 2rm4 h LYS 87 Cb 0.83 0.25 0.13 0.00 0.08 0.00 0.00 32.23 33.51 2rm4 h LYS 87 CO 0.09 -0.72 0.58 -1.25 -0.57 0.00 0.00 179.45 177.57 2rm4 s PRO 88 N -5.92 3.15 -0.29 3.15 0.04 -1.26 -4.97 135.00 128.89 2rm4 s PRO 88 Ca -0.19 2.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 2rm4 s PRO 88 Cb 0.04 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2rm4 s PRO 88 CO 0.61 -1.16 0.40 0.99 0.04 0.00 0.00 177.00 177.88 2rm4 s THR 89 N -1.36 5.15 0.59 1.26 2.01 -1.26 -4.94 115.64 117.08 2rm4 s THR 89 Ca 0.72 0.47 0.30 0.00 0.31 0.00 0.00 61.69 63.49 2rm4 s THR 89 Cb -0.38 -3.76 0.36 0.00 0.01 0.00 0.00 72.50 68.72 2rm4 s THR 89 CO 0.44 0.06 2.25 1.55 -0.69 0.00 0.00 174.62 178.24 2rm4 h PRO 90 N 8.25 0.00 -5.81 4.92 0.13 -1.94 -3.40 132.00 134.15 2rm4 h PRO 90 Ca -0.31 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.15 2rm4 h PRO 90 Cb 1.15 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.05 2rm4 h PRO 90 CO 0.67 0.00 -0.73 0.08 -0.23 0.00 0.00 178.00 177.79 2rm4 s VAL 91 N -4.63 3.34 0.32 1.56 1.01 -1.26 -5.01 120.40 115.74 2rm4 s VAL 91 Ca -0.05 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2rm4 s VAL 91 Cb 0.15 -2.38 0.27 0.00 0.00 0.00 0.00 36.38 34.42 2rm4 s VAL 91 CO 0.54 0.56 1.97 0.50 0.00 0.00 0.00 175.10 178.68 2rm4 h LYS 92 N 5.95 0.95 -4.65 2.72 3.64 -2.04 -3.37 116.57 119.76 2rm4 h LYS 92 Ca -0.38 -0.06 -0.70 0.00 -1.27 0.00 0.00 60.65 58.24 2rm4 h LYS 92 Cb 1.18 -0.21 -0.27 0.00 -0.41 0.00 0.00 32.23 32.52 2rm4 h LYS 92 CO 0.54 0.63 -0.57 -1.17 -2.27 0.00 0.00 179.45 176.61 2rm4 s LEU 93 N -9.85 4.46 0.39 5.20 0.20 -1.26 -5.07 118.68 112.75 2rm4 s LEU 93 Ca -0.11 -1.08 -0.27 0.00 0.69 0.00 0.00 54.13 53.36 2rm4 s LEU 93 Cb 0.18 -1.93 -0.10 0.00 -0.43 0.00 0.00 46.19 43.91 2rm4 s LEU 93 CO 0.78 -0.35 1.46 -2.16 -0.29 0.00 0.00 176.35 175.80 2rm4 s PRO 94 N 1.46 4.02 0.21 0.98 0.04 -1.26 -4.92 135.00 135.53 2rm4 s PRO 94 Ca -0.00 2.51 0.23 0.00 0.04 0.00 0.00 61.00 63.78 2rm4 s PRO 94 Cb -0.19 -2.90 0.15 0.00 0.04 0.00 0.00 34.50 31.60 2rm4 s PRO 94 CO 0.04 -0.58 1.20 0.45 0.04 0.00 0.00 177.00 178.16 2rm4 h HIS 95 N 2.86 0.00 -2.98 0.56 3.86 -1.98 -3.46 115.15 114.02 2rm4 h HIS 95 Ca -0.51 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.04 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 -0.53 -0.06 0.86 0.00 0.00 177.93 178.72 2rm4 s PHE 96 N -3.28 3.41 0.14 2.45 0.08 -1.26 -5.10 117.98 114.41 2rm4 s PHE 96 Ca 0.03 0.35 0.10 0.00 0.12 0.00 0.00 56.93 57.52 2rm4 s PHE 96 Cb 0.10 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2rm4 s PHE 96 CO 0.75 0.53 -0.21 -1.12 -0.10 0.00 0.00 175.22 175.08 2rm4 s SER 97 N -0.65 3.67 0.64 1.36 0.01 -1.26 -5.12 113.70 112.35 2rm4 s SER 97 Ca 0.12 -0.68 -0.17 0.00 1.31 0.00 0.00 55.95 56.53 2rm4 s SER 97 Cb -0.12 -0.41 -0.01 0.00 0.21 0.00 0.00 66.02 65.69 2rm4 s SER 97 CO 0.02 0.16 1.17 0.20 0.41 0.00 0.00 173.24 175.20 2rm4 s ASN 98 N -2.30 5.01 -0.07 2.44 0.01 -1.26 -5.03 114.94 113.74 2rm4 s ASN 98 Ca 0.18 2.23 0.03 0.00 -0.71 0.00 0.00 52.86 54.59 2rm4 s ASN 98 Cb -0.10 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.96 2rm4 s ASN 98 CO 0.09 -1.71 -0.15 -0.63 -1.51 0.00 0.00 177.10 173.19 2rm4 s ILE 99 N -1.94 2.93 0.09 0.60 1.01 -1.26 -5.12 121.20 117.52 2rm4 s ILE 99 Ca 0.73 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 2rm4 s ILE 99 Cb -0.26 -2.16 -0.07 0.00 0.01 0.00 0.00 42.46 39.98 2rm4 s ILE 99 CO 0.37 0.57 0.54 -0.76 0.00 0.00 0.00 174.94 175.67 2rm4 s LEU 100 N -0.41 4.45 0.00 2.97 1.43 -1.26 -5.37 118.68 120.48 2rm4 s LEU 100 Ca 0.05 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2rm4 s LEU 100 Cb -0.12 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.10 2rm4 s LEU 100 CO 0.02 0.21 0.13 0.61 0.23 0.00 0.00 176.35 177.55