#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 3.65 -0.06 4.61 0.00 -1.26 -5.11 121.76 123.60 2rm4 s ALA 0 Ca 0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 50.88 2rm4 s ALA 0 Cb 0.00 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.54 2rm4 s ALA 0 CO 0.00 0.70 0.51 1.41 0.00 0.00 0.00 175.76 178.38 2rm4 s MET 1 N -1.78 0.85 0.30 0.00 -2.45 -1.26 -5.18 119.30 109.77 2rm4 s MET 1 Ca 0.24 0.14 0.10 0.00 -1.25 0.00 0.00 55.69 54.92 2rm4 s MET 1 Cb -0.12 0.39 -0.06 0.00 1.25 0.00 0.00 34.83 36.30 2rm4 s MET 1 CO 0.15 -0.24 -0.13 0.20 1.05 0.00 0.00 175.02 176.05 2rm4 s GLY 2 N -1.05 1.94 -0.93 2.11 0.00 -1.26 -5.02 107.32 103.11 2rm4 s GLY 2 Ca -0.11 -1.94 -0.11 0.00 0.00 0.00 0.00 44.72 42.56 2rm4 s GLY 2 CO 0.06 -1.95 2.10 -1.55 0.00 0.00 0.00 173.10 171.77 2rm4 n PRO 3 N -0.65 2.03 0.03 2.90 -0.04 -1.26 -4.44 135.00 133.57 2rm4 n PRO 3 Ca -0.05 -1.67 0.11 0.00 -0.04 0.00 0.00 63.50 61.85 2rm4 n PRO 3 Cb 0.62 -2.65 0.06 0.00 -0.04 0.00 0.00 33.50 31.49 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 4.77 0.18 -1.77 0.52 -2.24 -1.26 -4.81 114.28 109.67 2rm4 n THR 4 Ca 0.48 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.74 2rm4 n THR 4 Cb 0.23 0.18 0.05 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.87 5.35 0.00 3.42 1.47 -1.26 -4.57 116.67 117.20 2rm4 s ASP 5 Ca 0.05 1.27 0.24 0.00 1.18 0.00 0.00 52.55 55.29 2rm4 s ASP 5 Cb 0.14 -2.10 1.28 0.00 -0.34 0.00 0.00 42.92 41.91 2rm4 s ASP 5 CO 0.78 -1.42 1.79 0.00 0.68 0.00 0.00 175.17 177.00 2rm4 n GLN 6 N -3.08 0.48 0.19 2.11 6.02 -1.26 -3.70 117.38 118.14 2rm4 n GLN 6 Ca 0.07 0.04 0.03 0.00 -0.01 0.00 0.00 57.00 57.13 2rm4 n GLN 6 Cb 0.56 -1.50 0.40 0.00 1.02 0.00 0.00 30.24 30.72 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 0.03 1.27 1.08 3.32 -1.97 -2.21 116.42 117.93 2rm4 h ASP 7 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2rm4 h ASP 7 Cb 0.15 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2rm4 h ASP 7 CO 0.00 0.32 0.00 0.79 -1.72 0.00 0.00 179.24 178.63 2rm4 n TRP 8 N -4.18 0.72 -1.68 4.55 5.03 -1.24 -4.89 117.44 115.75 2rm4 n TRP 8 Ca -0.02 0.22 -0.45 0.00 3.03 0.00 0.00 57.50 60.28 2rm4 n TRP 8 Cb 0.34 -0.86 -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 -0.71 -0.99 2.08 -0.84 -0.54 119.36 116.93 2rm4 n ILE 9 Ca 0.05 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.20 2rm4 n ILE 9 Cb 0.38 -1.54 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 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 2.55 0.99 3.87 7.39 0.00 0.30 -4.94 105.19 115.34 2rm4 n GLY 10 Ca 0.13 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 -2.50 3.60 0.11 0.00 0.00 -1.00 -1.76 121.76 120.21 2rm4 s ALA 12 Ca 0.53 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.08 2rm4 s ALA 12 Cb -0.10 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2rm4 s ALA 12 CO 0.33 -0.75 -0.04 0.14 0.00 0.00 0.00 175.76 175.45 2rm4 s VAL 13 N 2.36 0.55 -0.01 0.00 -7.23 -1.03 -0.58 120.40 114.46 2rm4 s VAL 13 Ca 0.26 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.56 2rm4 s VAL 13 Cb -0.16 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 2rm4 s VAL 13 CO 0.09 -0.78 -0.18 -0.55 -0.31 0.00 0.00 175.10 173.37 2rm4 s SER 14 N -3.05 2.06 -0.16 4.85 0.15 -0.53 -2.61 113.70 114.41 2rm4 s SER 14 Ca 0.14 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.49 2rm4 s SER 14 Cb 0.06 -0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.16 2rm4 s SER 14 CO -0.03 0.21 -0.20 -0.63 1.20 0.00 0.00 173.24 173.79 2rm4 s ILE 15 N -0.42 2.17 -0.38 6.45 -1.09 -0.46 -2.09 121.20 125.37 2rm4 s ILE 15 Ca 0.07 -0.92 -0.14 0.00 -2.23 0.00 0.00 60.65 57.42 2rm4 s ILE 15 Cb -0.07 -1.90 0.01 0.00 -1.58 0.00 0.00 42.46 38.92 2rm4 s ILE 15 CO -0.01 0.54 0.27 0.00 -1.23 0.00 0.00 174.94 174.51 2rm4 s ALA 16 N 1.04 3.47 0.44 9.38 0.00 -0.64 -2.44 121.76 133.02 2rm4 s ALA 16 Ca -0.01 -1.60 0.03 0.00 0.00 0.00 0.00 51.96 50.38 2rm4 s ALA 16 Cb -0.14 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.19 2rm4 s ALA 16 CO -0.07 -1.29 0.63 0.00 0.00 0.00 0.00 175.76 175.04 2rm4 n ASP 18 N -2.01 -1.51 -0.23 0.00 8.00 -1.25 -4.27 116.55 115.28 2rm4 n ASP 18 Ca 0.04 -0.07 0.19 0.00 0.71 0.00 0.00 54.79 55.66 2rm4 n ASP 18 Cb 0.58 -1.27 0.52 0.00 -0.02 0.00 0.00 41.12 40.94 2rm4 n ASP 18 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2rm4 h GLU 19 N -2.52 0.38 0.00 -1.24 4.81 -1.98 0.21 114.58 114.24 2rm4 h GLU 19 Ca -0.58 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.54 2rm4 h GLU 19 Cb 1.33 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2rm4 h GLU 19 CO 0.47 0.25 -0.40 0.28 -0.73 0.00 0.00 179.01 178.87 2rm4 h VAL 20 N 0.39 0.83 0.00 0.32 2.07 -2.01 -3.10 116.25 114.74 2rm4 h VAL 20 Ca 0.46 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.26 2rm4 h VAL 20 Cb 1.18 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2rm4 h VAL 20 CO -0.17 0.40 -0.82 0.18 0.02 0.00 0.00 177.57 177.18 2rm4 n LEU 21 N -3.40 0.67 0.00 2.57 4.77 0.71 -5.06 117.00 117.26 2rm4 n LEU 21 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2rm4 n LEU 21 Cb 0.58 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2rm4 n LEU 21 CO 0.38 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2rm4 n GLY 22 N 1.34 0.49 3.02 -0.72 0.00 -0.97 -4.84 105.19 103.51 2rm4 n GLY 22 Ca 0.02 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 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 0.66 0.12 1.61 1.01 -1.26 -2.00 120.40 120.54 2rm4 s VAL 23 Ca 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2rm4 s VAL 23 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2rm4 s VAL 23 CO 0.00 0.10 -0.11 0.72 0.00 0.00 0.00 175.10 175.81 2rm4 s PHE 24 N -0.37 1.23 0.03 5.22 -0.12 -1.02 -2.30 117.98 120.65 2rm4 s PHE 24 Ca 0.02 -0.65 0.01 0.00 -0.05 0.00 0.00 56.93 56.25 2rm4 s PHE 24 Cb -0.04 -0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 41.68 2rm4 s PHE 24 CO -0.00 0.07 -0.06 -0.65 -0.05 0.00 0.00 175.22 174.54 2rm4 s GLN 25 N -3.06 0.41 -0.04 1.99 -0.21 0.27 -1.36 119.66 117.66 2rm4 s GLN 25 Ca 0.10 -0.60 -0.31 0.00 0.02 0.00 0.00 55.36 54.57 2rm4 s GLN 25 Cb -0.02 -0.16 0.13 0.00 1.00 0.00 0.00 33.01 33.96 2rm4 s GLN 25 CO 0.01 0.02 1.31 0.20 -2.12 0.00 0.00 175.29 174.72 2rm4 s GLY 26 N -1.28 -0.43 -0.01 3.09 0.00 -1.07 -2.27 107.32 105.34 2rm4 s GLY 26 Ca -0.10 0.79 -0.20 0.00 0.00 0.00 0.00 44.72 45.21 2rm4 s GLY 26 CO -0.00 0.15 0.56 1.08 0.00 0.00 0.00 173.10 174.89 2rm4 s LEU 27 N -2.95 4.41 0.28 0.66 1.43 -1.21 -2.47 118.68 118.84 2rm4 s LEU 27 Ca 0.14 1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 54.05 2rm4 s LEU 27 Cb 0.05 -2.86 -0.10 0.00 0.03 0.00 0.00 46.19 43.31 2rm4 s LEU 27 CO -0.04 0.12 1.38 -0.63 0.23 0.00 0.00 176.35 177.41 2rm4 s ILE 28 N -0.23 2.70 -0.14 -0.59 1.01 -0.72 -1.19 121.20 122.05 2rm4 s ILE 28 Ca 0.30 0.63 0.07 0.00 0.00 0.00 0.00 60.65 61.65 2rm4 s ILE 28 Cb -0.18 -3.40 -0.13 0.00 0.01 0.00 0.00 42.46 38.76 2rm4 s ILE 28 CO 0.16 0.12 -0.03 1.17 0.00 0.00 0.00 174.94 176.36 2rm4 n LYS 29 N 1.69 1.33 -3.68 2.79 4.81 -0.10 0.11 118.16 125.11 2rm4 n LYS 29 Ca 0.04 0.03 -0.15 0.00 -0.87 0.00 0.00 58.31 57.37 2rm4 n LYS 29 Cb 0.41 -1.32 -0.08 0.00 0.02 0.00 0.00 35.03 34.07 2rm4 n LYS 29 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2rm4 s GLN 30 N -2.31 0.80 -0.00 1.64 -0.21 -1.05 -4.78 119.66 113.76 2rm4 s GLN 30 Ca -0.12 -0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.17 2rm4 s GLN 30 Cb 0.04 0.37 0.00 0.00 1.00 0.00 0.00 33.01 34.42 2rm4 s GLN 30 CO 0.45 -0.24 -0.00 0.42 -2.12 0.00 0.00 175.29 173.80 2rm4 s ILE 31 N -1.41 0.04 0.07 1.08 1.01 -1.26 -1.55 121.20 119.19 2rm4 s ILE 31 Ca -0.12 0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 2rm4 s ILE 31 Cb -0.03 -0.06 -0.00 0.00 0.01 0.00 0.00 42.46 42.37 2rm4 s ILE 31 CO 0.05 0.03 0.19 -0.94 0.00 0.00 0.00 174.94 174.27 2rm4 s SER 32 N 0.16 0.10 0.61 3.58 1.04 -0.79 -4.85 113.70 113.55 2rm4 s SER 32 Ca -0.01 -0.56 0.31 0.00 0.48 0.00 0.00 55.95 56.16 2rm4 s SER 32 Cb -0.02 0.32 1.71 0.00 0.10 0.00 0.00 66.02 68.13 2rm4 s SER 32 CO -0.00 -0.67 2.06 0.00 0.98 0.00 0.00 173.24 175.61 2rm4 h ALA 33 N 2.98 1.67 0.00 5.32 0.00 -1.94 -1.47 119.26 125.82 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 1.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 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 -3.52 0.63 -3.55 0.00 1.02 -1.26 -4.88 120.64 109.09 2rm4 n GLU 34 Ca 0.01 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 2rm4 n GLU 34 Cb 0.36 -1.74 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.91 1.12 -0.03 3.49 -1.05 -0.55 -2.49 118.70 116.29 2rm4 s GLU 35 Ca -0.04 -0.50 0.07 0.00 -0.15 0.00 0.00 54.97 54.35 2rm4 s GLU 35 Cb 0.09 0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 34.26 2rm4 s GLU 35 CO 0.82 -0.45 -0.23 0.42 0.95 0.00 0.00 175.26 176.77 2rm4 s ILE 36 N -3.39 2.29 -0.07 1.83 -1.09 -1.05 -1.89 121.20 117.82 2rm4 s ILE 36 Ca -0.00 -1.02 0.03 0.00 -2.23 0.00 0.00 60.65 57.43 2rm4 s ILE 36 Cb 0.00 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 39.07 2rm4 s ILE 36 CO -0.09 0.58 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.15 2rm4 s THR 37 N -0.64 1.42 0.29 2.92 2.01 -0.59 -2.53 115.64 118.52 2rm4 s THR 37 Ca 0.10 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.47 2rm4 s THR 37 Cb -0.10 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2rm4 s THR 37 CO -0.01 0.42 0.14 0.27 -0.69 0.00 0.00 174.62 174.75 2rm4 s ILE 38 N 0.51 0.41 0.24 1.82 -4.36 -0.72 -0.92 121.20 118.19 2rm4 s ILE 38 Ca -0.15 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.30 2rm4 s ILE 38 Cb -0.16 -2.55 -0.05 0.00 1.25 0.00 0.00 42.46 40.95 2rm4 s ILE 38 CO 0.05 0.00 -0.07 0.68 0.24 0.00 0.00 174.94 175.84 2rm4 s VAL 39 N -3.65 1.49 -0.83 8.37 -7.23 -0.33 -1.64 120.40 116.57 2rm4 s VAL 39 Ca 0.36 -2.12 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 2rm4 s VAL 39 Cb 0.06 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 2rm4 s VAL 39 CO 0.16 -0.39 0.76 0.54 -0.31 0.00 0.00 175.10 175.86 2rm4 n ARG 40 N -0.48 -1.59 -2.06 4.82 5.12 -1.21 -3.28 116.66 117.98 2rm4 n ARG 40 Ca -0.06 1.30 -0.42 0.00 -1.93 0.00 0.00 57.85 56.74 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 -0.10 7.54 0.00 -1.24 -4.61 121.76 123.85 2rm4 s ALA 41 Ca 0.14 0.90 0.02 0.00 0.00 0.00 0.00 51.96 53.02 2rm4 s ALA 41 Cb -0.02 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 2rm4 s ALA 41 CO 0.75 -1.33 -0.17 -0.06 0.00 0.00 0.00 175.76 174.95 2rm4 s PHE 42 N 3.82 2.70 0.03 0.00 0.40 -0.96 -2.91 117.98 121.05 2rm4 s PHE 42 Ca 0.71 -0.58 0.02 0.00 -0.60 0.00 0.00 56.93 56.48 2rm4 s PHE 42 Cb -0.32 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 2rm4 s PHE 42 CO 0.28 -0.14 -0.08 1.03 0.70 0.00 0.00 175.22 177.01 2rm4 s ARG 43 N 0.00 0.57 -1.54 0.44 0.52 -0.76 -0.57 118.95 117.62 2rm4 s ARG 43 Ca -0.05 -0.58 -0.14 0.00 -0.52 0.00 0.00 55.73 54.44 2rm4 s ARG 43 Cb -0.15 -0.44 0.09 0.00 0.52 0.00 0.00 34.95 34.97 2rm4 s ARG 43 CO 0.04 0.10 0.96 0.09 0.02 0.00 0.00 175.30 176.51 2rm4 n ASN 44 N 2.01 -4.79 -1.62 0.23 5.03 -0.97 -1.42 115.26 113.72 2rm4 n ASN 44 Ca -0.19 -0.76 -0.19 0.00 0.87 0.00 0.00 54.58 54.31 2rm4 n ASN 44 Cb 0.56 -3.83 -0.07 0.00 -1.02 0.00 0.00 39.78 35.42 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 -1.66 1.35 3.04 7.41 0.00 -1.26 -4.96 105.19 109.10 2rm4 n GLY 45 Ca 0.04 -0.10 -0.09 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 0.33 1.61 1.01 -0.50 -5.14 120.40 115.05 2rm4 s VAL 46 Ca 0.00 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 2rm4 s VAL 46 Cb 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 2rm4 s VAL 46 CO 0.00 -0.51 1.09 -2.84 0.00 0.00 0.00 175.10 172.84 2rm4 s PRO 47 N -1.73 4.44 0.49 2.72 0.02 -1.26 -1.83 135.00 137.85 2rm4 s PRO 47 Ca -0.13 1.72 -0.19 0.00 0.02 0.00 0.00 61.00 62.43 2rm4 s PRO 47 Cb -0.07 -2.95 -0.09 0.00 0.02 0.00 0.00 34.50 31.41 2rm4 s PRO 47 CO -0.01 0.05 0.99 -0.51 -0.33 0.00 0.00 177.00 177.19 2rm4 s LEU 48 N -1.90 3.77 0.38 -5.54 1.43 -1.15 -4.89 118.68 110.79 2rm4 s LEU 48 Ca 0.50 1.73 0.09 0.00 -1.03 0.00 0.00 54.13 55.41 2rm4 s LEU 48 Cb -0.29 -4.53 0.83 0.00 0.03 0.00 0.00 46.19 42.23 2rm4 s LEU 48 CO 0.37 -0.62 1.95 0.03 0.23 0.00 0.00 176.35 178.31 2rm4 h ARG 49 N 1.36 0.63 -4.56 1.70 3.08 -1.96 -3.32 114.38 111.30 2rm4 h ARG 49 Ca -0.48 -0.04 -0.72 0.00 0.07 0.00 0.00 59.98 58.81 2rm4 h ARG 49 Cb 1.20 -0.14 -0.21 0.00 0.08 0.00 0.00 29.97 30.90 2rm4 h ARG 49 CO 0.60 0.42 0.20 0.15 -1.07 0.00 0.00 179.97 180.27 2rm4 s LYS 50 N -5.59 3.21 0.34 0.04 1.02 -1.26 -4.89 119.74 112.61 2rm4 s LYS 50 Ca -0.09 -1.60 0.04 0.00 0.02 0.00 0.00 55.97 54.34 2rm4 s LYS 50 Cb 0.20 -4.39 0.62 0.00 -0.52 0.00 0.00 37.83 33.73 2rm4 s LYS 50 CO 0.77 -1.53 1.92 1.96 -0.92 0.00 0.00 175.35 177.55 2rm4 h GLN 51 N 8.89 0.62 -0.04 1.68 4.20 -1.92 -2.33 115.11 126.21 2rm4 h GLN 51 Ca -0.16 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2rm4 h GLN 51 Cb 1.07 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.74 2rm4 h GLN 51 CO 1.04 0.55 0.00 0.27 -0.67 0.00 0.00 178.83 180.02 2rm4 n ASN 52 N -4.34 0.76 -4.74 1.46 0.23 -1.26 -3.34 115.26 104.04 2rm4 n ASN 52 Ca 0.03 -1.40 -0.41 0.00 -0.53 0.00 0.00 54.58 52.27 2rm4 n ASN 52 Cb 0.18 -0.02 -0.04 0.00 -2.08 0.00 0.00 39.78 37.82 2rm4 n ASN 52 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2rm4 s ALA 53 N -1.95 3.38 0.12 -2.53 0.00 -0.88 -4.81 121.76 115.09 2rm4 s ALA 53 Ca 0.37 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 2rm4 s ALA 53 Cb 0.18 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2rm4 s ALA 53 CO 0.30 -0.23 0.50 -1.83 0.00 0.00 0.00 175.76 174.50 2rm4 s GLU 54 N -0.42 3.93 -0.26 0.00 -1.05 -1.26 -3.71 118.70 115.93 2rm4 s GLU 54 Ca 0.50 0.42 -0.09 0.00 -0.15 0.00 0.00 54.97 55.64 2rm4 s GLU 54 Cb -0.30 -2.98 -0.04 0.00 -0.44 0.00 0.00 34.13 30.37 2rm4 s GLU 54 CO 0.36 0.52 0.12 0.08 0.95 0.00 0.00 175.26 177.29 2rm4 s VAL 55 N -1.41 4.74 -0.22 1.83 1.01 -0.65 -4.98 120.40 120.72 2rm4 s VAL 55 Ca 0.35 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.32 2rm4 s VAL 55 Cb -0.15 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2rm4 s VAL 55 CO 0.18 0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 174.80 2rm4 s VAL 56 N 1.65 1.77 -0.01 2.92 1.01 -1.26 -1.75 120.40 124.73 2rm4 s VAL 56 Ca 0.07 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.88 2rm4 s VAL 56 Cb -0.15 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2rm4 s VAL 56 CO 0.07 0.07 -0.15 -0.76 0.00 0.00 0.00 175.10 174.33 2rm4 s LEU 57 N 1.32 2.03 0.23 3.92 1.43 -1.05 -4.98 118.68 121.56 2rm4 s LEU 57 Ca -0.04 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 2rm4 s LEU 57 Cb -0.18 -0.76 -0.09 0.00 0.03 0.00 0.00 46.19 45.20 2rm4 s LEU 57 CO -0.07 0.18 1.15 -0.75 0.23 0.00 0.00 176.35 177.09 2rm4 s LYS 58 N -0.34 4.55 0.48 1.70 2.47 -1.26 -2.54 119.74 124.80 2rm4 s LYS 58 Ca 0.06 1.85 0.21 0.00 -1.56 0.00 0.00 55.97 56.52 2rm4 s LYS 58 Cb -0.06 -3.22 1.23 0.00 -1.46 0.00 0.00 37.83 34.33 2rm4 s LYS 58 CO -0.01 0.04 1.96 0.00 0.16 0.00 0.00 175.35 177.50 2rm4 h THR 60 N 0.20 0.70 0.00 0.00 1.35 -1.91 -2.04 112.91 111.20 2rm4 h THR 60 Ca 0.31 -0.58 -0.09 0.00 -0.55 0.00 0.00 66.41 65.50 2rm4 h THR 60 Cb 0.94 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 2rm4 h THR 60 CO -0.06 0.14 -1.10 0.44 -0.25 0.00 0.00 175.52 174.69 2rm4 h ASP 61 N 0.00 0.00 -3.83 5.36 3.32 -1.38 -3.46 116.42 116.43 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 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2rm4 h ASP 61 CO 0.02 0.32 0.30 -0.63 -1.72 0.00 0.00 179.24 177.53 2rm4 s ILE 62 N -3.11 4.27 -0.21 0.35 1.01 -0.77 -3.85 121.20 118.89 2rm4 s ILE 62 Ca -0.01 1.74 0.13 0.00 0.00 0.00 0.00 60.65 62.50 2rm4 s ILE 62 Cb 0.09 -3.99 -0.22 0.00 0.01 0.00 0.00 42.46 38.35 2rm4 s ILE 62 CO 0.79 0.16 -0.02 -1.14 0.00 0.00 0.00 174.94 174.73 2rm4 n ARG 63 N 0.61 0.76 -3.49 2.79 3.00 -0.57 -4.93 116.66 114.83 2rm4 n ARG 63 Ca 0.01 0.04 -0.15 0.00 -0.00 0.00 0.00 57.85 57.74 2rm4 n ARG 63 Cb 0.50 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.42 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 -5.71 -0.61 0.02 6.15 0.15 -1.07 -5.05 113.70 107.57 2rm4 s SER 64 Ca -0.17 0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.93 2rm4 s SER 64 Cb 0.07 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.91 2rm4 s SER 64 CO 0.73 -0.72 -0.04 -0.63 1.20 0.00 0.00 173.24 173.78 2rm4 s ILE 65 N -2.10 0.24 -0.03 6.45 1.01 -1.26 -1.62 121.20 123.89 2rm4 s ILE 65 Ca -0.06 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2rm4 s ILE 65 Cb -0.00 -0.30 0.02 0.00 0.01 0.00 0.00 42.46 42.18 2rm4 s ILE 65 CO 0.01 -0.25 -0.03 1.51 0.00 0.00 0.00 174.94 176.19 2rm4 s ASP 66 N -0.92 0.62 -0.36 3.58 1.47 -0.89 -5.01 116.67 115.16 2rm4 s ASP 66 Ca -0.08 -0.08 -0.29 0.00 1.18 0.00 0.00 52.55 53.29 2rm4 s ASP 66 Cb -0.06 -0.26 0.01 0.00 -0.34 0.00 0.00 42.92 42.27 2rm4 s ASP 66 CO -0.00 -0.05 1.21 -0.76 0.68 0.00 0.00 175.17 176.25 2rm4 s LEU 67 N 0.70 3.81 -0.09 2.11 1.43 -1.26 -1.45 118.68 123.93 2rm4 s LEU 67 Ca -0.08 0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 53.71 2rm4 s LEU 67 Cb -0.11 -3.54 -0.25 0.00 0.03 0.00 0.00 46.19 42.31 2rm4 s LEU 67 CO -0.01 -1.10 0.91 0.40 0.23 0.00 0.00 176.35 176.79 2rm4 h ILE 68 N 6.01 1.64 -2.90 -0.59 2.04 -1.17 -3.44 117.51 119.10 2rm4 h ILE 68 Ca -0.24 -2.14 -0.55 0.00 1.00 0.00 0.00 64.86 62.93 2rm4 h ILE 68 Cb 1.08 3.06 -0.40 0.00 -0.74 0.00 0.00 36.82 39.82 2rm4 h ILE 68 CO 1.06 0.57 -0.77 -1.61 0.00 0.00 0.00 178.15 177.40 2rm4 s GLU 69 N -2.72 0.40 0.54 2.37 2.02 -0.84 -4.97 118.70 115.51 2rm4 s GLU 69 Ca -0.17 -0.78 0.26 0.00 0.02 0.00 0.00 54.97 54.30 2rm4 s GLU 69 Cb -0.01 -1.47 1.54 0.00 0.10 0.00 0.00 34.13 34.30 2rm4 s GLU 69 CO 0.73 -1.02 2.14 -1.00 0.02 0.00 0.00 175.26 176.12 2rm4 h PRO 70 N 8.19 0.00 -5.11 0.39 0.13 -1.85 -2.65 132.00 131.11 2rm4 h PRO 70 Ca -0.16 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.59 2rm4 h PRO 70 Cb 1.01 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.99 2rm4 h PRO 70 CO 0.44 0.07 -0.66 0.00 -0.23 0.00 0.00 178.00 177.63 2rm4 s ALA 71 N -4.46 1.82 0.34 -0.56 0.00 -1.26 -4.86 121.76 112.78 2rm4 s ALA 71 Ca -0.04 -1.76 0.04 0.00 0.00 0.00 0.00 51.96 50.20 2rm4 s ALA 71 Cb 0.14 0.45 0.66 0.00 0.00 0.00 0.00 23.12 24.38 2rm4 s ALA 71 CO 0.59 -0.23 1.94 -0.22 0.00 0.00 0.00 175.76 177.83 2rm4 h LYS 72 N 2.48 0.83 -5.29 0.00 3.64 -1.96 -3.39 116.57 112.88 2rm4 h LYS 72 Ca -0.38 -0.05 -0.61 0.00 -1.27 0.00 0.00 60.65 58.34 2rm4 h LYS 72 Cb 1.22 -0.19 -0.15 0.00 -0.41 0.00 0.00 32.23 32.71 2rm4 h LYS 72 CO 0.65 0.55 -0.54 -0.65 -2.27 0.00 0.00 179.45 177.19 2rm4 s GLN 73 N -5.76 4.04 0.24 1.90 -0.21 -1.26 -4.99 119.66 113.61 2rm4 s GLN 73 Ca -0.10 -0.30 -0.07 0.00 0.02 0.00 0.00 55.36 54.91 2rm4 s GLN 73 Cb 0.19 -3.28 0.22 0.00 1.00 0.00 0.00 33.01 31.15 2rm4 s GLN 73 CO 0.78 0.29 1.89 -0.44 -2.12 0.00 0.00 175.29 175.69 2rm4 h ASP 74 N 6.65 1.11 -3.61 5.90 3.32 -1.97 -3.41 116.42 124.41 2rm4 h ASP 74 Ca -0.39 -0.07 -0.67 0.00 0.02 0.00 0.00 57.03 55.93 2rm4 h ASP 74 Cb 1.16 -0.28 -0.23 0.00 0.22 0.00 0.00 39.33 40.20 2rm4 h ASP 74 CO 0.72 0.85 -0.73 -0.22 -1.72 0.00 0.00 179.24 178.15 2rm4 s LEU 75 N -10.02 2.95 0.43 1.55 2.96 -1.26 -5.00 118.68 110.28 2rm4 s LEU 75 Ca -0.13 -0.17 0.12 0.00 -0.22 0.00 0.00 54.13 53.74 2rm4 s LEU 75 Cb 0.17 -1.65 0.98 0.00 0.50 0.00 0.00 46.19 46.20 2rm4 s LEU 75 CO 0.82 0.27 1.99 -0.78 -1.32 0.00 0.00 176.35 177.34 2rm4 h ASP 76 N 5.90 0.40 -3.11 3.68 3.58 -1.91 -3.43 116.42 121.53 2rm4 h ASP 76 Ca -0.39 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 56.67 2rm4 h ASP 76 Cb 1.18 -0.08 0.21 0.00 1.72 0.00 0.00 39.33 42.36 2rm4 h ASP 76 CO 0.54 0.25 -0.08 -0.83 -2.88 0.00 0.00 179.24 176.25 2rm4 s GLY 77 N -3.76 1.44 0.24 -0.78 0.00 -1.26 -4.88 107.32 98.31 2rm4 s GLY 77 Ca -0.08 -0.77 -0.07 0.00 0.00 0.00 0.00 44.72 43.80 2rm4 s GLY 77 CO 0.75 0.20 1.88 0.84 0.00 0.00 0.00 173.10 176.77 2rm4 h HIS 78 N -3.27 1.06 -3.58 1.90 2.76 -2.05 -3.44 115.15 108.54 2rm4 h HIS 78 Ca -0.45 0.03 -0.31 0.00 -2.20 0.00 0.00 60.37 57.43 2rm4 h HIS 78 Cb 1.34 -0.35 -0.16 0.00 1.55 0.00 0.00 27.41 29.78 2rm4 h HIS 78 CO -2.85 0.62 -0.72 -0.08 -1.30 0.00 0.00 177.93 173.60 2rm4 s THR 79 N -6.10 1.03 -0.57 6.26 -1.32 -1.26 -5.06 115.64 108.62 2rm4 s THR 79 Ca -0.13 -1.88 0.04 0.00 -1.21 0.00 0.00 61.69 58.51 2rm4 s THR 79 Cb 0.17 -1.64 0.16 0.00 -1.51 0.00 0.00 72.50 69.68 2rm4 s THR 79 CO 0.80 -0.68 0.38 0.00 -2.21 0.00 0.00 174.62 172.90 2rm4 s ALA 80 N -3.01 3.01 0.57 11.08 0.00 -1.26 -4.82 121.76 127.33 2rm4 s ALA 80 Ca 0.12 -3.27 -0.21 0.00 0.00 0.00 0.00 51.96 48.60 2rm4 s ALA 80 Cb 0.01 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2rm4 s ALA 80 CO -0.00 -2.06 1.36 -2.30 0.00 0.00 0.00 175.76 172.76 2rm4 n PRO 81 N 2.63 1.58 -0.04 0.00 -0.02 -1.26 -4.92 135.00 132.97 2rm4 n PRO 81 Ca 0.16 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 2rm4 n PRO 81 Cb 0.36 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 2rm4 n PRO 81 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2rm4 h PRO 82 N 1.25 0.16 -6.96 0.52 0.11 -2.08 -3.43 132.00 121.56 2rm4 h PRO 82 Ca -0.51 -0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.03 2rm4 h PRO 82 Cb 1.31 -0.04 0.15 0.00 0.11 0.00 0.00 31.00 32.53 2rm4 h PRO 82 CO 0.56 0.11 0.44 -2.30 -0.21 0.00 0.00 178.00 176.60 2rm4 n PRO 83 N -5.04 1.40 -1.86 1.05 -0.02 -1.26 -4.90 135.00 124.37 2rm4 n PRO 83 Ca -0.03 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 2rm4 n PRO 83 Cb 0.07 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 2rm4 n PRO 83 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2rm4 s VAL 84 N -1.35 2.23 0.31 -1.45 -7.23 -1.26 -4.89 120.40 106.76 2rm4 s VAL 84 Ca 0.73 0.21 0.19 0.00 -1.81 0.00 0.00 61.98 61.30 2rm4 s VAL 84 Cb -0.42 -3.13 0.17 0.00 0.56 0.00 0.00 36.38 33.55 2rm4 s VAL 84 CO 0.48 0.04 1.87 -0.37 -0.31 0.00 0.00 175.10 176.81 2rm4 h VAL 85 N 3.22 0.92 -3.64 1.32 -1.51 -1.90 -3.41 116.25 111.26 2rm4 h VAL 85 Ca -0.48 -1.13 -0.63 0.00 -1.23 0.00 0.00 66.70 63.22 2rm4 h VAL 85 Cb 1.23 1.67 -0.14 0.00 -2.13 0.00 0.00 31.29 31.91 2rm4 h VAL 85 CO 0.72 0.29 -0.10 0.21 -1.23 0.00 0.00 177.57 177.46 2rm4 s ASN 86 N -6.54 6.33 0.28 4.19 3.84 -1.26 -5.06 114.94 116.72 2rm4 s ASN 86 Ca -0.02 0.20 0.04 0.00 0.21 0.00 0.00 52.86 53.30 2rm4 s ASN 86 Cb 0.13 -2.25 -0.06 0.00 -0.55 0.00 0.00 41.25 38.52 2rm4 s ASN 86 CO 0.67 -0.34 0.01 -0.54 -2.79 0.00 0.00 177.10 174.11 2rm4 s LYS 87 N 2.26 1.51 0.56 0.43 1.02 -1.26 -5.12 119.74 119.14 2rm4 s LYS 87 Ca 0.18 -1.79 -0.21 0.00 0.02 0.00 0.00 55.97 54.16 2rm4 s LYS 87 Cb -0.16 -0.85 -0.04 0.00 -0.52 0.00 0.00 37.83 36.26 2rm4 s LYS 87 CO 0.11 -0.09 1.35 -1.25 -0.92 0.00 0.00 175.35 174.55 2rm4 s PRO 88 N -3.84 3.07 0.38 -1.68 0.04 -1.26 -4.94 135.00 126.77 2rm4 s PRO 88 Ca 0.32 2.22 -0.26 0.00 0.04 0.00 0.00 61.00 63.31 2rm4 s PRO 88 Cb 0.06 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 2rm4 s PRO 88 CO 0.12 -1.24 1.24 -0.08 0.04 0.00 0.00 177.00 177.09 2rm4 s THR 89 N -1.31 2.88 0.49 1.26 -1.32 -1.26 -4.96 115.64 111.42 2rm4 s THR 89 Ca 0.73 0.80 -0.23 0.00 -1.21 0.00 0.00 61.69 61.77 2rm4 s THR 89 Cb -0.40 -3.47 -0.07 0.00 -1.51 0.00 0.00 72.50 67.05 2rm4 s THR 89 CO 0.47 0.12 1.35 -2.16 -2.21 0.00 0.00 174.62 172.19 2rm4 s PRO 90 N -2.12 3.49 -0.15 7.08 0.04 -1.26 -4.34 135.00 137.74 2rm4 s PRO 90 Ca 0.55 2.22 -0.06 0.00 0.04 0.00 0.00 61.00 63.74 2rm4 s PRO 90 Cb -0.35 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.75 2rm4 s PRO 90 CO 0.45 -0.91 0.12 0.28 0.04 0.00 0.00 177.00 176.99 2rm4 n VAL 91 N -0.57 -8.79 -4.25 -0.36 0.31 -1.26 -5.02 118.33 98.40 2rm4 n VAL 91 Ca 0.08 1.72 -0.22 0.00 -0.01 0.00 0.00 64.34 65.90 2rm4 n VAL 91 Cb 0.44 -5.28 -0.17 0.00 -0.91 0.00 0.00 33.84 27.92 2rm4 n VAL 91 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2rm4 s LYS 92 N -0.71 1.16 0.39 5.55 2.20 -1.26 -5.14 119.74 121.94 2rm4 s LYS 92 Ca -0.14 -0.21 -0.24 0.00 -0.36 0.00 0.00 55.97 55.03 2rm4 s LYS 92 Cb 0.01 -1.10 -0.09 0.00 -1.51 0.00 0.00 37.83 35.13 2rm4 s LYS 92 CO 0.52 -0.08 1.01 -0.51 -0.36 0.00 0.00 175.35 175.94 2rm4 s LEU 93 N 0.98 4.13 0.37 5.43 1.43 -1.26 -4.99 118.68 124.77 2rm4 s LEU 93 Ca -0.10 1.94 -0.28 0.00 -1.03 0.00 0.00 54.13 54.66 2rm4 s LEU 93 Cb -0.14 -4.23 -0.11 0.00 0.03 0.00 0.00 46.19 41.74 2rm4 s LEU 93 CO 0.00 -0.40 1.46 -2.16 0.23 0.00 0.00 176.35 175.48 2rm4 s PRO 94 N -2.55 4.14 -1.19 1.29 0.04 -1.26 -2.00 135.00 133.47 2rm4 s PRO 94 Ca 0.57 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.14 2rm4 s PRO 94 Cb -0.19 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2rm4 s PRO 94 CO 0.24 -0.49 0.00 0.72 0.04 0.00 0.00 177.00 177.51 2rm4 n HIS 95 N 0.53 -1.32 -4.00 0.56 8.25 -1.26 -4.94 115.22 113.03 2rm4 n HIS 95 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 2rm4 n HIS 95 Cb 0.40 -2.96 -0.09 0.00 1.12 0.00 0.00 29.99 28.46 2rm4 n HIS 95 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2rm4 s PHE 96 N -2.68 3.31 0.06 4.41 5.36 -0.85 -5.10 117.98 122.49 2rm4 s PHE 96 Ca 0.00 0.18 0.09 0.00 -0.96 0.00 0.00 56.93 56.25 2rm4 s PHE 96 Cb 0.00 -2.03 -0.03 0.00 -0.34 0.00 0.00 43.02 40.62 2rm4 s PHE 96 CO 0.00 0.30 -0.26 -1.12 -1.46 0.00 0.00 175.22 172.68 2rm4 s SER 97 N -0.00 3.26 0.45 6.13 0.01 -1.26 -4.86 113.70 117.42 2rm4 s SER 97 Ca 0.07 -0.60 0.11 0.00 1.31 0.00 0.00 55.95 56.83 2rm4 s SER 97 Cb -0.12 -0.31 1.01 0.00 0.21 0.00 0.00 66.02 66.81 2rm4 s SER 97 CO 0.01 0.25 2.08 0.78 0.41 0.00 0.00 173.24 176.76 2rm4 h ASN 98 N 4.62 0.31 -0.11 2.44 2.35 -1.99 -2.16 115.58 121.05 2rm4 h ASN 98 Ca -0.47 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.30 2rm4 h ASN 98 Cb 1.15 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.44 2rm4 h ASN 98 CO 0.43 0.22 0.08 -0.29 -1.65 0.00 0.00 177.43 176.23 2rm4 h ILE 99 N 0.37 0.82 -0.41 2.81 2.10 -2.04 -0.86 117.51 120.30 2rm4 h ILE 99 Ca 0.12 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 66.04 2rm4 h ILE 99 Cb 0.04 0.94 -0.02 0.00 -1.09 0.00 0.00 36.82 36.69 2rm4 h ILE 99 CO -0.03 0.00 0.16 -0.07 -1.08 0.00 0.00 178.15 177.14 2rm4 h LEU 100 N 0.00 0.52 0.00 2.19 3.38 -1.81 -3.56 115.31 116.03 2rm4 h LEU 100 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rm4 h LEU 100 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2rm4 h LEU 100 CO -0.00 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.62