#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 1.69 -2.59 4.61 0.00 -2.09 -3.44 119.26 117.44 2rm4 h ALA 0 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2rm4 h ALA 0 Cb 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 17.56 2rm4 h ALA 0 CO 0.00 0.24 -0.26 -1.64 0.00 0.00 0.00 179.25 177.59 2rm4 s MET 1 N -4.99 0.88 0.00 0.00 1.00 -1.26 -5.09 119.30 109.84 2rm4 s MET 1 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 55.69 54.89 2rm4 s MET 1 Cb 0.16 0.37 0.00 0.00 0.00 0.00 0.00 34.83 35.37 2rm4 s MET 1 CO 0.71 -0.30 0.00 0.41 0.00 0.00 0.00 175.02 175.84 2rm4 n GLY 2 N 0.13 1.58 3.78 -0.03 0.00 -1.26 -5.08 105.19 104.30 2rm4 n GLY 2 Ca -0.17 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2rm4 n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rm4 s PRO 3 N -0.00 4.05 0.00 1.61 0.04 -1.26 -4.75 135.00 134.69 2rm4 s PRO 3 Ca 0.00 2.52 0.01 0.00 0.04 0.00 0.00 61.00 63.56 2rm4 s PRO 3 Cb 0.00 -2.92 0.01 0.00 0.04 0.00 0.00 34.50 31.63 2rm4 s PRO 3 CO 0.00 -0.56 0.83 0.25 0.04 0.00 0.00 177.00 177.56 2rm4 n THR 4 N 0.36 0.00 -2.72 1.26 -2.24 -1.26 -5.05 114.28 104.63 2rm4 n THR 4 Ca 0.02 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 2rm4 n THR 4 Cb 0.40 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.67 6.82 0.00 3.42 1.01 -1.26 -4.65 116.67 121.34 2rm4 s ASP 5 Ca 0.01 1.70 0.19 0.00 0.71 0.00 0.00 52.55 55.15 2rm4 s ASP 5 Cb 0.01 -2.54 1.00 0.00 1.01 0.00 0.00 42.92 42.40 2rm4 s ASP 5 CO -0.00 -0.45 1.56 0.00 0.21 0.00 0.00 175.17 176.49 2rm4 n GLN 6 N -0.83 0.36 0.23 8.23 6.02 -1.26 -2.71 117.38 127.43 2rm4 n GLN 6 Ca 0.07 0.08 0.10 0.00 -0.01 0.00 0.00 57.00 57.24 2rm4 n GLN 6 Cb 0.54 -1.50 0.54 0.00 1.02 0.00 0.00 30.24 30.84 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 1.13 1.08 3.32 -2.00 -2.93 116.42 117.02 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 0.22 0.00 0.79 -1.72 0.00 0.00 179.24 178.53 2rm4 n TRP 8 N -3.58 0.72 -1.69 4.55 5.03 -1.10 -4.89 117.44 116.49 2rm4 n TRP 8 Ca -0.01 0.23 -0.44 0.00 3.03 0.00 0.00 57.50 60.31 2rm4 n TRP 8 Cb 0.36 -0.88 -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 -2.11 0.71 -0.72 -0.99 2.08 -1.11 -0.53 119.36 116.69 2rm4 n ILE 9 Ca 0.05 -0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.18 2rm4 n ILE 9 Cb 0.34 -1.59 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 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 2.51 0.98 3.87 7.39 0.00 0.29 -4.96 105.19 115.27 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 3.61 0.09 0.00 0.00 -0.94 -1.85 121.76 120.14 2rm4 s ALA 12 Ca 0.54 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.04 2rm4 s ALA 12 Cb -0.10 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 2rm4 s ALA 12 CO 0.34 -0.79 -0.06 0.14 0.00 0.00 0.00 175.76 175.38 2rm4 s VAL 13 N 2.46 0.63 0.00 0.00 -7.23 -1.03 -0.95 120.40 114.29 2rm4 s VAL 13 Ca 0.25 -1.79 0.08 0.00 -1.81 0.00 0.00 61.98 58.71 2rm4 s VAL 13 Cb -0.16 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2rm4 s VAL 13 CO 0.09 -0.80 -0.23 -0.55 -0.31 0.00 0.00 175.10 173.29 2rm4 s SER 14 N -2.80 2.77 -0.16 4.85 0.15 -0.61 -2.56 113.70 115.33 2rm4 s SER 14 Ca 0.08 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.27 2rm4 s SER 14 Cb 0.03 -0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.07 2rm4 s SER 14 CO -0.04 0.26 -0.18 -0.63 1.20 0.00 0.00 173.24 173.85 2rm4 s ILE 15 N -0.63 1.86 -0.42 6.45 -1.09 -0.51 -1.78 121.20 125.07 2rm4 s ILE 15 Ca 0.09 -0.82 -0.17 0.00 -2.23 0.00 0.00 60.65 57.53 2rm4 s ILE 15 Cb -0.09 -1.70 0.02 0.00 -1.58 0.00 0.00 42.46 39.12 2rm4 s ILE 15 CO 0.00 0.51 0.42 0.00 -1.23 0.00 0.00 174.94 174.64 2rm4 s ALA 16 N 1.32 3.43 0.45 9.38 0.00 -0.89 -2.54 121.76 132.92 2rm4 s ALA 16 Ca 0.04 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.48 2rm4 s ALA 16 Cb -0.13 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.96 2rm4 s ALA 16 CO -0.11 -1.58 0.65 0.00 0.00 0.00 0.00 175.76 174.72 2rm4 n ASP 18 N -2.05 -2.07 -0.16 0.00 8.00 -1.20 -4.25 116.55 114.84 2rm4 n ASP 18 Ca 0.04 -0.24 0.15 0.00 0.71 0.00 0.00 54.79 55.45 2rm4 n ASP 18 Cb 0.58 -1.20 0.50 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.74 0.42 0.00 -1.24 5.08 -1.95 0.13 114.58 114.28 2rm4 h GLU 19 Ca -0.62 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 57.63 2rm4 h GLU 19 Cb 1.34 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2rm4 h GLU 19 CO 0.48 0.28 -0.40 0.28 -1.00 0.00 0.00 179.01 178.64 2rm4 h VAL 20 N 0.43 0.84 0.00 3.13 2.07 -2.00 -3.12 116.25 117.60 2rm4 h VAL 20 Ca 0.36 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2rm4 h VAL 20 Cb 0.79 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2rm4 h VAL 20 CO -0.12 0.40 -0.88 0.18 0.02 0.00 0.00 177.57 177.17 2rm4 n LEU 21 N -3.40 0.69 0.00 2.57 4.77 0.42 -5.05 117.00 117.00 2rm4 n LEU 21 Ca 0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2rm4 n LEU 21 Cb 0.58 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2rm4 n LEU 21 CO 0.38 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2rm4 n GLY 22 N 1.31 0.64 3.05 -0.72 0.00 -0.93 -4.83 105.19 103.71 2rm4 n GLY 22 Ca 0.02 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 0.81 0.14 1.61 1.01 -1.26 -1.92 120.40 120.79 2rm4 s VAL 23 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2rm4 s VAL 23 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2rm4 s VAL 23 CO 0.00 0.19 -0.10 0.72 0.00 0.00 0.00 175.10 175.91 2rm4 s PHE 24 N -0.31 1.24 0.02 5.22 -0.12 -1.05 -2.30 117.98 120.68 2rm4 s PHE 24 Ca 0.03 -0.75 0.02 0.00 -0.05 0.00 0.00 56.93 56.19 2rm4 s PHE 24 Cb -0.04 -0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 41.70 2rm4 s PHE 24 CO -0.00 0.07 -0.06 -0.65 -0.05 0.00 0.00 175.22 174.52 2rm4 s GLN 25 N -3.61 0.47 -0.04 1.99 -0.21 0.31 -1.43 119.66 117.14 2rm4 s GLN 25 Ca 0.15 -0.51 -0.31 0.00 0.02 0.00 0.00 55.36 54.71 2rm4 s GLN 25 Cb 0.02 -0.32 0.13 0.00 1.00 0.00 0.00 33.01 33.84 2rm4 s GLN 25 CO 0.00 0.07 1.31 0.20 -2.12 0.00 0.00 175.29 174.76 2rm4 s GLY 26 N -0.96 -0.42 -0.00 3.09 0.00 -1.06 -2.39 107.32 105.57 2rm4 s GLY 26 Ca -0.05 0.78 -0.19 0.00 0.00 0.00 0.00 44.72 45.26 2rm4 s GLY 26 CO 0.00 0.15 0.55 1.08 0.00 0.00 0.00 173.10 174.89 2rm4 s LEU 27 N -2.95 4.43 0.27 0.66 1.43 -1.25 -2.47 118.68 118.81 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 -2.85 -0.10 0.00 0.03 0.00 0.00 46.19 43.32 2rm4 s LEU 27 CO -0.04 0.15 1.36 -0.63 0.23 0.00 0.00 176.35 177.42 2rm4 s ILE 28 N -0.37 2.78 -0.09 -0.59 1.01 -0.77 -1.97 121.20 121.20 2rm4 s ILE 28 Ca 0.29 0.70 0.10 0.00 0.00 0.00 0.00 60.65 61.74 2rm4 s ILE 28 Cb -0.18 -3.45 -0.14 0.00 0.01 0.00 0.00 42.46 38.70 2rm4 s ILE 28 CO 0.16 0.13 0.08 1.17 0.00 0.00 0.00 174.94 176.48 2rm4 n LYS 29 N 1.74 1.89 -3.57 2.79 3.00 -0.18 0.11 118.16 123.93 2rm4 n LYS 29 Ca 0.04 -0.02 -0.16 0.00 -0.00 0.00 0.00 58.31 58.16 2rm4 n LYS 29 Cb 0.41 -1.28 -0.07 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 -2.36 0.95 -0.01 1.64 0.74 -0.99 -4.78 119.66 114.85 2rm4 s GLN 30 Ca -0.05 0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.78 2rm4 s GLN 30 Cb 0.04 0.45 0.00 0.00 1.10 0.00 0.00 33.01 34.61 2rm4 s GLN 30 CO 0.46 -0.25 -0.02 0.42 -0.55 0.00 0.00 175.29 175.35 2rm4 s ILE 31 N -0.77 0.20 0.07 -2.34 1.01 -1.26 -1.27 121.20 116.84 2rm4 s ILE 31 Ca -0.08 -0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 2rm4 s ILE 31 Cb -0.02 -0.20 -0.00 0.00 0.01 0.00 0.00 42.46 42.25 2rm4 s ILE 31 CO 0.07 0.08 0.17 -0.94 0.00 0.00 0.00 174.94 174.32 2rm4 s SER 32 N 0.18 0.13 0.62 3.58 1.04 -0.78 -4.83 113.70 113.64 2rm4 s SER 32 Ca -0.01 -0.60 0.31 0.00 0.48 0.00 0.00 55.95 56.12 2rm4 s SER 32 Cb -0.04 0.31 1.71 0.00 0.10 0.00 0.00 66.02 68.10 2rm4 s SER 32 CO -0.00 -0.67 2.06 0.00 0.98 0.00 0.00 173.24 175.60 2rm4 h ALA 33 N 2.98 1.67 0.00 5.32 0.00 -1.98 -1.48 119.26 125.78 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 0.55 -0.34 -1.63 0.39 0.00 0.00 0.00 179.25 178.21 2rm4 n GLU 34 N -3.50 0.64 -3.56 0.00 -0.58 -1.26 -4.88 120.64 107.49 2rm4 n GLU 34 Ca 0.01 0.15 -0.13 0.00 -0.42 0.00 0.00 57.16 56.78 2rm4 n GLU 34 Cb 0.37 -1.74 -0.05 0.00 -0.57 0.00 0.00 31.44 29.46 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 1.08 -0.05 3.49 -1.05 -0.56 -3.43 118.70 115.28 2rm4 s GLU 35 Ca -0.05 -0.37 0.04 0.00 -0.15 0.00 0.00 54.97 54.44 2rm4 s GLU 35 Cb 0.09 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 2rm4 s GLU 35 CO 0.82 -0.41 -0.15 0.42 0.95 0.00 0.00 175.26 176.89 2rm4 s ILE 36 N -2.93 2.99 -0.05 1.83 -1.09 -0.98 -1.86 121.20 119.12 2rm4 s ILE 36 Ca -0.03 -0.75 0.04 0.00 -2.23 0.00 0.00 60.65 57.69 2rm4 s ILE 36 Cb -0.00 -2.17 0.00 0.00 -1.58 0.00 0.00 42.46 38.71 2rm4 s ILE 36 CO -0.06 0.59 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.18 2rm4 s THR 37 N -0.66 1.42 0.30 2.92 2.01 -0.40 -2.36 115.64 118.88 2rm4 s THR 37 Ca 0.10 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.43 2rm4 s THR 37 Cb -0.11 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2rm4 s THR 37 CO 0.01 0.41 0.14 0.27 -0.69 0.00 0.00 174.62 174.76 2rm4 s ILE 38 N 0.20 0.41 0.24 1.82 -4.36 -0.74 -1.02 121.20 117.76 2rm4 s ILE 38 Ca -0.08 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.38 2rm4 s ILE 38 Cb -0.13 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 40.99 2rm4 s ILE 38 CO 0.03 0.00 -0.07 0.68 0.24 0.00 0.00 174.94 175.82 2rm4 s VAL 39 N -3.62 1.52 -0.85 8.37 -7.23 -0.83 -1.60 120.40 116.16 2rm4 s VAL 39 Ca 0.35 -2.13 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2rm4 s VAL 39 Cb 0.06 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 2rm4 s VAL 39 CO 0.16 -0.40 0.74 0.54 -0.31 0.00 0.00 175.10 175.83 2rm4 n ARG 40 N -0.48 -1.52 -2.10 4.82 5.12 -0.98 -3.79 116.66 117.73 2rm4 n ARG 40 Ca -0.06 1.19 -0.42 0.00 -1.93 0.00 0.00 57.85 56.62 2rm4 n ARG 40 Cb 0.63 -5.22 -0.03 0.00 -1.16 0.00 0.00 32.46 26.68 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 -4.67 121.76 123.78 2rm4 s ALA 41 Ca 0.14 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.07 2rm4 s ALA 41 Cb -0.03 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 2rm4 s ALA 41 CO 0.78 -1.10 -0.15 -0.06 0.00 0.00 0.00 175.76 175.23 2rm4 s PHE 42 N 2.93 2.74 0.02 0.00 0.40 -1.01 -2.50 117.98 120.56 2rm4 s PHE 42 Ca 0.68 -0.60 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 2rm4 s PHE 42 Cb -0.33 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 2rm4 s PHE 42 CO 0.28 -0.16 -0.08 0.50 0.70 0.00 0.00 175.22 176.46 2rm4 s ARG 43 N 0.12 0.56 -1.56 0.44 3.52 -0.60 -0.53 118.95 120.90 2rm4 s ARG 43 Ca -0.07 -0.45 -0.15 0.00 -0.13 0.00 0.00 55.73 54.93 2rm4 s ARG 43 Cb -0.15 -0.48 0.10 0.00 -1.56 0.00 0.00 34.95 32.86 2rm4 s ARG 43 CO 0.05 0.12 0.96 0.09 -0.81 0.00 0.00 175.30 175.71 2rm4 n ASN 44 N 2.35 -4.61 -1.61 -2.12 5.03 -0.97 -1.21 115.26 112.12 2rm4 n ASN 44 Ca -0.17 -0.81 -0.19 0.00 0.87 0.00 0.00 54.58 54.28 2rm4 n ASN 44 Cb 0.56 -3.72 -0.07 0.00 -1.02 0.00 0.00 39.78 35.54 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 3.07 7.41 0.00 -1.26 -4.96 105.19 109.16 2rm4 n GLY 45 Ca 0.05 -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 0.21 1.61 1.01 -0.35 -5.14 120.40 115.10 2rm4 s VAL 46 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2rm4 s VAL 46 Cb 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.73 2rm4 s VAL 46 CO 0.00 -0.51 1.23 -2.84 0.00 0.00 0.00 175.10 172.98 2rm4 s PRO 47 N -1.87 4.46 0.43 2.72 0.02 -1.26 -1.56 135.00 137.94 2rm4 s PRO 47 Ca -0.11 1.95 -0.22 0.00 0.02 0.00 0.00 61.00 62.64 2rm4 s PRO 47 Cb -0.06 -3.21 -0.10 0.00 0.02 0.00 0.00 34.50 31.15 2rm4 s PRO 47 CO -0.01 -0.12 0.98 -0.51 -0.33 0.00 0.00 177.00 177.00 2rm4 s LEU 48 N -0.39 3.97 0.71 -5.54 1.43 -1.04 -4.87 118.68 112.95 2rm4 s LEU 48 Ca 0.53 1.79 -0.16 0.00 -1.03 0.00 0.00 54.13 55.26 2rm4 s LEU 48 Cb -0.34 -4.47 0.03 0.00 0.03 0.00 0.00 46.19 41.44 2rm4 s LEU 48 CO 0.38 -0.45 1.25 -0.13 0.23 0.00 0.00 176.35 177.63 2rm4 s ARG 49 N -3.03 2.19 -1.06 1.70 0.52 -1.26 -3.63 118.95 114.38 2rm4 s ARG 49 Ca 0.62 1.91 -0.11 0.00 -0.52 0.00 0.00 55.73 57.63 2rm4 s ARG 49 Cb -0.13 -1.82 -0.05 0.00 0.52 0.00 0.00 34.95 33.47 2rm4 s ARG 49 CO 0.17 -1.83 0.86 1.63 0.02 0.00 0.00 175.30 176.15 2rm4 n LYS 50 N -2.49 -1.84 0.16 3.54 4.76 -1.26 -4.84 118.16 116.19 2rm4 n LYS 50 Ca 0.15 0.77 0.17 0.00 -2.87 0.00 0.00 58.31 56.53 2rm4 n LYS 50 Cb 0.49 -5.22 0.79 0.00 -1.84 0.00 0.00 35.03 29.25 2rm4 n LYS 50 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2rm4 h GLN 51 N -1.26 0.00 0.00 1.97 4.20 -1.91 0.15 115.11 118.26 2rm4 h GLN 51 Ca -0.60 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.11 2rm4 h GLN 51 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2rm4 h GLN 51 CO 0.44 0.00 0.00 -0.91 -0.67 0.00 0.00 178.83 177.69 2rm4 h ASN 52 N 0.00 0.00 -3.87 1.46 -0.26 -1.92 -2.60 115.58 108.39 2rm4 h ASN 52 Ca 0.12 0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 55.36 2rm4 h ASN 52 Cb 0.61 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.90 2rm4 h ASN 52 CO -0.00 0.00 0.48 0.00 -1.06 0.00 0.00 177.43 176.85 2rm4 s ALA 53 N -3.32 3.30 0.26 -0.83 0.00 0.51 -4.75 121.76 116.94 2rm4 s ALA 53 Ca 0.05 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 2rm4 s ALA 53 Cb 0.10 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2rm4 s ALA 53 CO 0.44 -0.27 0.63 -1.83 0.00 0.00 0.00 175.76 174.73 2rm4 s GLU 54 N -1.83 3.91 -0.23 0.00 -1.05 -1.26 -4.16 118.70 114.09 2rm4 s GLU 54 Ca 0.50 0.47 -0.09 0.00 -0.15 0.00 0.00 54.97 55.69 2rm4 s GLU 54 Cb -0.30 -2.59 -0.04 0.00 -0.44 0.00 0.00 34.13 30.75 2rm4 s GLU 54 CO 0.39 0.27 0.12 0.08 0.95 0.00 0.00 175.26 177.06 2rm4 s VAL 55 N -1.84 5.03 -0.21 1.83 1.01 -0.63 -4.95 120.40 120.63 2rm4 s VAL 55 Ca 0.49 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2rm4 s VAL 55 Cb -0.11 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 32.99 2rm4 s VAL 55 CO 0.19 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 2rm4 s VAL 56 N 0.97 1.75 -0.04 2.92 1.01 -1.26 -1.78 120.40 123.96 2rm4 s VAL 56 Ca 0.06 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.92 2rm4 s VAL 56 Cb -0.14 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2rm4 s VAL 56 CO 0.03 0.12 -0.13 -0.76 0.00 0.00 0.00 175.10 174.36 2rm4 s LEU 57 N 1.34 1.80 0.24 3.92 1.43 -0.99 -4.98 118.68 121.43 2rm4 s LEU 57 Ca -0.03 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 2rm4 s LEU 57 Cb -0.17 -0.80 -0.09 0.00 0.03 0.00 0.00 46.19 45.16 2rm4 s LEU 57 CO -0.08 0.09 1.14 -0.75 0.23 0.00 0.00 176.35 176.98 2rm4 s LYS 58 N 0.26 4.58 0.49 1.70 2.20 -1.26 -2.31 119.74 125.39 2rm4 s LYS 58 Ca -0.07 1.83 0.22 0.00 -0.36 0.00 0.00 55.97 57.60 2rm4 s LYS 58 Cb -0.12 -3.21 1.26 0.00 -1.51 0.00 0.00 37.83 34.25 2rm4 s LYS 58 CO 0.02 0.09 1.94 0.00 -0.36 0.00 0.00 175.35 177.04 2rm4 h THR 60 N 0.18 0.68 0.00 0.00 1.35 -1.91 -1.85 112.91 111.36 2rm4 h THR 60 Ca 0.34 -0.55 -0.14 0.00 -0.55 0.00 0.00 66.41 65.51 2rm4 h THR 60 Cb 1.07 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.81 2rm4 h THR 60 CO -0.06 0.13 -1.17 0.44 -0.25 0.00 0.00 175.52 174.60 2rm4 h ASP 61 N 0.00 0.00 -3.81 5.36 3.32 -1.15 -3.46 116.42 116.69 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 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2rm4 h ASP 61 CO 0.02 0.51 0.29 -0.63 -1.72 0.00 0.00 179.24 177.70 2rm4 s ILE 62 N -2.97 4.30 -0.22 0.35 1.01 -0.70 -3.21 121.20 119.76 2rm4 s ILE 62 Ca -0.01 1.70 0.13 0.00 0.00 0.00 0.00 60.65 62.46 2rm4 s ILE 62 Cb 0.08 -3.98 -0.22 0.00 0.01 0.00 0.00 42.46 38.36 2rm4 s ILE 62 CO 0.79 0.16 -0.03 -1.14 0.00 0.00 0.00 174.94 174.73 2rm4 n ARG 63 N 0.61 0.70 -3.64 2.79 3.00 -0.44 -4.90 116.66 114.78 2rm4 n ARG 63 Ca 0.01 0.04 -0.05 0.00 -0.00 0.00 0.00 57.85 57.85 2rm4 n ARG 63 Cb 0.50 -1.51 -0.07 0.00 0.00 0.00 0.00 32.46 31.38 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 -5.79 -0.76 -0.00 6.15 0.15 -1.12 -5.05 113.70 107.27 2rm4 s SER 64 Ca -0.18 1.22 -0.02 0.00 0.70 0.00 0.00 55.95 57.68 2rm4 s SER 64 Cb 0.07 1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 65.65 2rm4 s SER 64 CO 0.75 -0.19 0.16 -0.63 1.20 0.00 0.00 173.24 174.53 2rm4 s ILE 65 N 1.52 5.27 -0.08 6.45 1.01 -1.26 -2.09 121.20 132.02 2rm4 s ILE 65 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2rm4 s ILE 65 Cb -0.04 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.99 2rm4 s ILE 65 CO -0.18 0.31 -0.06 1.51 0.00 0.00 0.00 174.94 176.52 2rm4 s ASP 66 N -1.95 1.69 -0.33 3.58 -4.77 -0.73 -5.01 116.67 109.15 2rm4 s ASP 66 Ca 0.27 -0.22 -0.29 0.00 -3.30 0.00 0.00 52.55 49.01 2rm4 s ASP 66 Cb -0.13 -0.67 0.00 0.00 -1.09 0.00 0.00 42.92 41.04 2rm4 s ASP 66 CO 0.18 -0.09 1.31 -0.76 0.70 0.00 0.00 175.17 176.52 2rm4 s LEU 67 N 1.35 3.81 -0.11 2.11 1.43 -1.26 -1.58 118.68 124.43 2rm4 s LEU 67 Ca -0.03 1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 53.89 2rm4 s LEU 67 Cb -0.14 -3.54 -0.27 0.00 0.03 0.00 0.00 46.19 42.27 2rm4 s LEU 67 CO -0.03 -1.15 0.82 0.40 0.23 0.00 0.00 176.35 176.62 2rm4 h ILE 68 N 6.07 1.71 -2.98 -0.59 2.04 -1.38 -3.44 117.51 118.93 2rm4 h ILE 68 Ca -0.26 -2.35 -0.53 0.00 1.00 0.00 0.00 64.86 62.72 2rm4 h ILE 68 Cb 1.10 3.30 -0.40 0.00 -0.74 0.00 0.00 36.82 40.07 2rm4 h ILE 68 CO 1.05 0.62 -0.77 -1.61 0.00 0.00 0.00 178.15 177.45 2rm4 s GLU 69 N -2.36 0.38 0.45 2.37 2.02 -0.89 -5.03 118.70 115.64 2rm4 s GLU 69 Ca -0.18 -0.61 -0.25 0.00 0.02 0.00 0.00 54.97 53.96 2rm4 s GLU 69 Cb -0.02 -1.59 -0.08 0.00 0.10 0.00 0.00 34.13 32.54 2rm4 s GLU 69 CO 0.73 -0.92 1.37 -1.25 0.02 0.00 0.00 175.26 175.21 2rm4 s PRO 70 N 1.94 3.70 -0.03 0.39 0.04 -1.26 -2.20 135.00 137.56 2rm4 s PRO 70 Ca 0.07 2.30 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 2rm4 s PRO 70 Cb -0.16 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 2rm4 s PRO 70 CO -0.27 -0.77 0.06 0.00 0.04 0.00 0.00 177.00 176.07 2rm4 s ALA 71 N -1.24 3.51 0.02 8.56 0.00 -1.26 -4.91 121.76 126.42 2rm4 s ALA 71 Ca 0.61 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2rm4 s ALA 71 Cb -0.41 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 2rm4 s ALA 71 CO 0.52 0.65 0.28 0.15 0.00 0.00 0.00 175.76 177.37 2rm4 s LYS 72 N -1.44 3.60 0.08 0.00 1.02 -1.26 -4.99 119.74 116.75 2rm4 s LYS 72 Ca 0.19 -0.05 0.07 0.00 0.02 0.00 0.00 55.97 56.20 2rm4 s LYS 72 Cb -0.12 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 2rm4 s LYS 72 CO 0.10 0.64 -0.13 -0.65 -0.92 0.00 0.00 175.35 174.39 2rm4 s GLN 73 N -1.78 2.09 1.02 1.68 -0.21 -1.26 -5.13 119.66 116.07 2rm4 s GLN 73 Ca 0.28 -1.01 -0.16 0.00 0.02 0.00 0.00 55.36 54.48 2rm4 s GLN 73 Cb -0.13 -2.26 0.21 0.00 1.00 0.00 0.00 33.01 31.83 2rm4 s GLN 73 CO 0.16 0.52 1.25 0.16 -2.12 0.00 0.00 175.29 175.26 2rm4 s ASP 74 N -1.94 2.60 -0.13 5.90 1.47 -1.26 -5.04 116.67 118.26 2rm4 s ASP 74 Ca 0.19 0.44 -0.14 0.00 1.18 0.00 0.00 52.55 54.22 2rm4 s ASP 74 Cb -0.11 -0.59 -0.05 0.00 -0.34 0.00 0.00 42.92 41.84 2rm4 s ASP 74 CO 0.10 -3.07 0.31 -0.22 0.68 0.00 0.00 175.17 172.97 2rm4 s LEU 75 N -6.18 4.28 0.30 2.11 2.96 -1.26 -4.98 118.68 115.92 2rm4 s LEU 75 Ca 0.72 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 55.20 2rm4 s LEU 75 Cb -0.06 -2.40 0.48 0.00 0.50 0.00 0.00 46.19 44.71 2rm4 s LEU 75 CO 0.54 0.14 1.93 0.44 -1.32 0.00 0.00 176.35 178.08 2rm4 h ASP 76 N 6.31 0.94 0.00 3.68 3.32 -2.08 -3.47 116.42 125.11 2rm4 h ASP 76 Ca -0.43 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2rm4 h ASP 76 Cb 1.18 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2rm4 h ASP 76 CO 0.73 0.63 0.00 0.61 -1.72 0.00 0.00 179.24 179.49 2rm4 n GLY 77 N -1.40 -1.75 3.36 2.75 0.00 -1.26 -5.15 105.19 101.75 2rm4 n GLY 77 Ca 0.12 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 2rm4 n GLY 77 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rm4 s HIS 78 N -2.73 2.34 0.26 1.61 3.76 -1.26 -5.03 115.29 114.24 2rm4 s HIS 78 Ca 0.00 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.47 2rm4 s HIS 78 Cb 0.00 -1.38 0.34 0.00 1.11 0.00 0.00 32.58 32.65 2rm4 s HIS 78 CO 0.00 0.16 1.90 1.15 -0.85 0.00 0.00 174.74 177.10 2rm4 h THR 79 N 4.16 1.15 -3.25 1.30 2.02 -2.06 -3.41 112.91 112.83 2rm4 h THR 79 Ca -0.47 -0.42 -0.57 0.00 0.77 0.00 0.00 66.41 65.71 2rm4 h THR 79 Cb 1.15 -0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2rm4 h THR 79 CO 0.43 0.23 -0.09 0.00 0.37 0.00 0.00 175.52 176.46 2rm4 s ALA 80 N -6.07 3.60 0.29 6.16 0.00 -1.26 -5.05 121.76 119.43 2rm4 s ALA 80 Ca -0.13 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 2rm4 s ALA 80 Cb 0.19 -2.53 -0.10 0.00 0.00 0.00 0.00 23.12 20.69 2rm4 s ALA 80 CO 0.81 0.45 1.31 -1.25 0.00 0.00 0.00 175.76 177.08 2rm4 s PRO 81 N -1.59 4.38 0.12 0.00 0.04 -1.26 -4.94 135.00 131.75 2rm4 s PRO 81 Ca 0.33 2.16 -0.20 0.00 0.04 0.00 0.00 61.00 63.33 2rm4 s PRO 81 Cb -0.17 -3.11 -0.06 0.00 0.04 0.00 0.00 34.50 31.20 2rm4 s PRO 81 CO 0.18 -0.19 1.75 -1.35 0.04 0.00 0.00 177.00 177.43 2rm4 h PRO 82 N 4.05 0.16 -6.95 0.56 0.11 -1.96 -3.42 132.00 124.54 2rm4 h PRO 82 Ca -0.47 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.09 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 0.70 0.11 0.72 -2.14 -0.21 0.00 0.00 178.00 177.18 2rm4 s PRO 83 N -6.18 3.98 -0.10 1.05 0.02 -1.26 -5.01 135.00 127.50 2rm4 s PRO 83 Ca -0.13 2.45 0.03 0.00 0.02 0.00 0.00 61.00 63.37 2rm4 s PRO 83 Cb 0.09 -2.86 0.01 0.00 0.02 0.00 0.00 34.50 31.76 2rm4 s PRO 83 CO 0.69 -0.59 -0.19 0.08 -0.33 0.00 0.00 177.00 176.66 2rm4 s VAL 84 N -1.16 1.74 0.04 3.83 1.01 -1.26 -5.03 120.40 119.57 2rm4 s VAL 84 Ca 0.55 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 2rm4 s VAL 84 Cb -0.44 -1.54 -0.15 0.00 0.00 0.00 0.00 36.38 34.24 2rm4 s VAL 84 CO 0.59 0.49 1.29 0.58 0.00 0.00 0.00 175.10 178.04 2rm4 h VAL 85 N 5.84 1.36 -2.71 2.92 2.07 -1.98 -3.43 116.25 120.33 2rm4 h VAL 85 Ca -0.27 -1.59 -0.39 0.00 0.82 0.00 0.00 66.70 65.27 2rm4 h VAL 85 Cb 1.20 2.02 -0.38 0.00 -1.52 0.00 0.00 31.29 32.62 2rm4 h VAL 85 CO 0.49 0.48 -0.68 0.21 0.02 0.00 0.00 177.57 178.08 2rm4 s ASN 86 N -6.44 1.92 0.03 0.57 3.84 -1.26 -5.14 114.94 108.46 2rm4 s ASN 86 Ca -0.13 -0.48 -0.16 0.00 0.21 0.00 0.00 52.86 52.29 2rm4 s ASN 86 Cb 0.06 0.11 -0.06 0.00 -0.55 0.00 0.00 41.25 40.80 2rm4 s ASN 86 CO 0.80 -0.35 0.46 -0.75 -2.79 0.00 0.00 177.10 174.47 2rm4 s LYS 87 N 2.24 4.00 0.52 0.43 2.47 -1.26 -5.05 119.74 123.09 2rm4 s LYS 87 Ca 0.05 0.51 -0.22 0.00 -1.56 0.00 0.00 55.97 54.75 2rm4 s LYS 87 Cb -0.16 -3.21 -0.06 0.00 -1.46 0.00 0.00 37.83 32.95 2rm4 s LYS 87 CO -0.14 0.67 1.34 -1.25 0.16 0.00 0.00 175.35 176.13 2rm4 s PRO 88 N -1.15 3.30 -0.33 4.03 0.04 -1.26 -5.00 135.00 134.63 2rm4 s PRO 88 Ca 0.26 2.21 0.03 0.00 0.04 0.00 0.00 61.00 63.54 2rm4 s PRO 88 Cb -0.17 -2.34 0.10 0.00 0.04 0.00 0.00 34.50 32.13 2rm4 s PRO 88 CO 0.15 -1.05 0.05 0.95 0.04 0.00 0.00 177.00 177.15 2rm4 s THR 89 N -1.31 1.99 0.54 1.26 -4.23 -1.26 -4.96 115.64 107.66 2rm4 s THR 89 Ca 0.69 -2.13 0.20 0.00 -1.18 0.00 0.00 61.69 59.27 2rm4 s THR 89 Cb -0.39 -2.46 0.30 0.00 1.34 0.00 0.00 72.50 71.28 2rm4 s THR 89 CO 0.47 -0.59 2.18 -0.65 -0.54 0.00 0.00 174.62 175.49 2rm4 h PRO 90 N 7.71 0.00 -5.27 3.99 0.11 -1.99 -3.42 132.00 133.13 2rm4 h PRO 90 Ca -0.06 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.66 2rm4 h PRO 90 Cb 1.02 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.96 2rm4 h PRO 90 CO 0.51 0.00 -0.74 0.14 -0.21 0.00 0.00 178.00 177.69 2rm4 s VAL 91 N -4.94 1.24 0.28 3.15 -7.23 -1.26 -5.04 120.40 106.60 2rm4 s VAL 91 Ca -0.05 -1.78 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 2rm4 s VAL 91 Cb 0.16 -1.57 0.26 0.00 0.56 0.00 0.00 36.38 35.79 2rm4 s VAL 91 CO 0.63 -0.51 1.94 0.50 -0.31 0.00 0.00 175.10 177.36 2rm4 h LYS 92 N 3.36 1.19 -4.75 4.82 3.64 -2.04 -3.37 116.57 119.41 2rm4 h LYS 92 Ca -0.39 -0.07 -0.69 0.00 -1.27 0.00 0.00 60.65 58.24 2rm4 h LYS 92 Cb 1.19 -0.27 -0.32 0.00 -0.41 0.00 0.00 32.23 32.43 2rm4 h LYS 92 CO 0.54 0.79 -0.68 -1.17 -2.27 0.00 0.00 179.45 176.66 2rm4 s LEU 93 N -10.03 3.99 0.37 5.20 1.98 -1.26 -5.09 118.68 113.84 2rm4 s LEU 93 Ca -0.12 -1.21 -0.28 0.00 -2.89 0.00 0.00 54.13 49.63 2rm4 s LEU 93 Cb 0.18 -1.76 -0.11 0.00 0.66 0.00 0.00 46.19 45.16 2rm4 s LEU 93 CO 0.81 -0.27 1.45 -2.65 -1.89 0.00 0.00 176.35 173.80 2rm4 n PRO 94 N 4.68 2.57 -0.64 0.98 -0.02 -1.26 -4.91 135.00 136.40 2rm4 n PRO 94 Ca -0.13 0.90 0.08 0.00 -2.02 0.00 0.00 63.50 62.33 2rm4 n PRO 94 Cb 0.44 -2.61 0.33 0.00 -0.02 0.00 0.00 33.50 31.64 2rm4 n PRO 94 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2rm4 n HIS 95 N 0.39 1.46 -0.25 6.00 8.25 -1.26 -4.59 115.22 125.23 2rm4 n HIS 95 Ca 0.02 -0.73 0.01 0.00 -0.26 0.00 0.00 57.72 56.76 2rm4 n HIS 95 Cb 0.38 -0.35 0.24 0.00 1.12 0.00 0.00 29.99 31.38 2rm4 n HIS 95 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 2rm4 h PHE 96 N 3.19 0.99 -4.29 4.41 0.04 -1.99 -3.42 116.94 115.88 2rm4 h PHE 96 Ca 0.00 0.02 -0.56 0.00 2.80 0.00 0.00 57.97 60.23 2rm4 h PHE 96 Cb 1.59 -0.33 -0.28 0.00 2.20 0.00 0.00 35.95 39.13 2rm4 h PHE 96 CO 0.77 0.60 -0.84 0.45 -0.60 0.00 0.00 178.31 178.68 2rm4 s SER 97 N -6.26 2.24 0.39 2.17 0.15 -1.26 -5.02 113.70 106.11 2rm4 s SER 97 Ca -0.11 -0.40 0.07 0.00 0.70 0.00 0.00 55.95 56.21 2rm4 s SER 97 Cb 0.18 -0.23 0.82 0.00 -1.71 0.00 0.00 66.02 65.08 2rm4 s SER 97 CO 0.79 0.20 2.02 0.78 1.20 0.00 0.00 173.24 178.23 2rm4 h ASN 98 N 5.41 0.54 -3.76 5.45 2.35 -1.95 -3.40 115.58 120.22 2rm4 h ASN 98 Ca -0.39 -0.01 -0.68 0.00 -0.55 0.00 0.00 56.30 54.67 2rm4 h ASN 98 Cb 1.15 -0.13 -0.27 0.00 0.05 0.00 0.00 38.32 39.12 2rm4 h ASN 98 CO 0.47 0.38 -0.81 -0.63 -1.65 0.00 0.00 177.43 175.19 2rm4 s ILE 99 N -5.56 2.73 -0.19 2.81 -1.09 -1.26 -5.11 121.20 113.53 2rm4 s ILE 99 Ca -0.09 -0.81 -0.10 0.00 -2.23 0.00 0.00 60.65 57.41 2rm4 s ILE 99 Cb 0.18 -2.08 -0.05 0.00 -1.58 0.00 0.00 42.46 38.93 2rm4 s ILE 99 CO 0.75 0.56 0.16 -0.22 -1.23 0.00 0.00 174.94 174.96 2rm4 s LEU 100 N -0.16 4.23 0.00 2.97 0.20 -1.26 -5.11 118.68 119.55 2rm4 s LEU 100 Ca -0.02 0.29 0.00 0.00 0.69 0.00 0.00 54.13 55.09 2rm4 s LEU 100 Cb -0.14 -2.13 0.00 0.00 -0.43 0.00 0.00 46.19 43.49 2rm4 s LEU 100 CO 0.03 0.18 0.00 0.61 -0.29 0.00 0.00 176.35 176.89