#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 -5.09 121.76 123.73 2rm4 s ALA 0 Ca 0.00 -0.82 -0.21 0.00 0.00 0.00 0.00 51.96 50.93 2rm4 s ALA 0 Cb 0.00 -1.66 -0.06 0.00 0.00 0.00 0.00 23.12 21.40 2rm4 s ALA 0 CO 0.00 0.68 0.63 -1.64 0.00 0.00 0.00 175.76 175.43 2rm4 s MET 1 N -1.60 4.32 -0.58 0.00 1.00 -1.26 -5.02 119.30 116.16 2rm4 s MET 1 Ca 0.22 0.84 0.06 0.00 0.00 0.00 0.00 55.69 56.80 2rm4 s MET 1 Cb -0.12 -3.28 0.21 0.00 0.00 0.00 0.00 34.83 31.63 2rm4 s MET 1 CO 0.12 0.51 0.56 0.41 0.00 0.00 0.00 175.02 176.63 2rm4 n GLY 2 N 1.98 3.79 2.88 -0.03 0.00 -1.26 -5.00 105.19 107.55 2rm4 n GLY 2 Ca -0.08 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.33 2rm4 n GLY 2 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rm4 n PRO 3 N 1.64 1.74 -3.72 1.61 -0.04 -1.26 -4.77 135.00 130.21 2rm4 n PRO 3 Ca 0.25 -1.67 -0.12 0.00 -0.04 0.00 0.00 63.50 61.93 2rm4 n PRO 3 Cb 0.42 -2.71 -0.12 0.00 -0.04 0.00 0.00 33.50 31.05 2rm4 n PRO 3 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2rm4 s THR 4 N 4.30 -0.03 0.14 0.52 -4.23 -1.26 -5.12 115.64 109.96 2rm4 s THR 4 Ca 0.49 0.12 -0.25 0.00 -1.18 0.00 0.00 61.69 60.86 2rm4 s THR 4 Cb 0.12 -0.47 0.07 0.00 1.34 0.00 0.00 72.50 73.56 2rm4 s THR 4 CO 0.05 0.05 0.95 1.51 -0.54 0.00 0.00 174.62 176.63 2rm4 s ASP 5 N 1.26 -0.20 0.39 3.99 1.47 -1.26 -4.99 116.67 117.33 2rm4 s ASP 5 Ca -0.09 -0.37 0.28 0.00 1.18 0.00 0.00 52.55 53.55 2rm4 s ASP 5 Cb -0.09 0.49 1.26 0.00 -0.34 0.00 0.00 42.92 44.23 2rm4 s ASP 5 CO -0.10 -0.89 1.84 1.56 0.68 0.00 0.00 175.17 178.26 2rm4 h GLN 6 N 2.00 0.00 -0.00 2.11 4.20 -2.01 -2.84 115.11 118.57 2rm4 h GLN 6 Ca -0.24 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.39 2rm4 h GLN 6 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2rm4 h GLN 6 CO 0.26 0.00 -0.41 0.22 -0.67 0.00 0.00 178.83 178.23 2rm4 h ASP 7 N 0.00 0.01 1.20 1.46 3.58 -2.00 -2.71 116.42 117.96 2rm4 h ASP 7 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rm4 h ASP 7 Cb 0.30 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2rm4 h ASP 7 CO 0.00 0.41 0.00 0.79 -2.88 0.00 0.00 179.24 177.56 2rm4 n TRP 8 N -4.05 0.71 -1.68 0.28 5.03 -1.07 -4.89 117.44 111.76 2rm4 n TRP 8 Ca -0.02 0.22 -0.45 0.00 3.03 0.00 0.00 57.50 60.29 2rm4 n TRP 8 Cb 0.44 -0.86 -0.03 0.00 -1.03 0.00 0.00 31.31 29.83 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 -2.09 0.65 -0.72 -0.99 2.08 -1.02 -0.47 119.36 116.80 2rm4 n ILE 9 Ca 0.05 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.20 2rm4 n ILE 9 Cb 0.36 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.67 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 2.58 0.98 3.86 7.39 0.00 0.30 -4.95 105.19 115.36 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 -2.57 3.57 0.10 0.00 0.00 -0.92 -1.96 121.76 119.98 2rm4 s ALA 12 Ca 0.55 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.94 2rm4 s ALA 12 Cb -0.10 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2rm4 s ALA 12 CO 0.34 -0.92 -0.08 0.14 0.00 0.00 0.00 175.76 175.24 2rm4 s VAL 13 N 2.49 0.78 -0.00 0.00 -7.23 -1.04 -0.48 120.40 114.92 2rm4 s VAL 13 Ca 0.24 -1.79 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2rm4 s VAL 13 Cb -0.15 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2rm4 s VAL 13 CO 0.10 -0.74 -0.24 -0.55 -0.31 0.00 0.00 175.10 173.36 2rm4 s SER 14 N -2.77 2.83 -0.17 4.85 0.15 -0.58 -2.49 113.70 115.53 2rm4 s SER 14 Ca 0.09 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.27 2rm4 s SER 14 Cb 0.02 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2rm4 s SER 14 CO -0.03 0.27 -0.16 -0.63 1.20 0.00 0.00 173.24 173.90 2rm4 s ILE 15 N -0.63 1.80 -0.42 6.45 -1.09 -0.48 -1.83 121.20 125.00 2rm4 s ILE 15 Ca 0.09 -0.81 -0.17 0.00 -2.23 0.00 0.00 60.65 57.54 2rm4 s ILE 15 Cb -0.09 -1.67 0.02 0.00 -1.58 0.00 0.00 42.46 39.14 2rm4 s ILE 15 CO -0.00 0.47 0.42 0.00 -1.23 0.00 0.00 174.94 174.59 2rm4 s ALA 16 N 1.39 3.43 0.45 9.38 0.00 -0.92 -2.53 121.76 132.96 2rm4 s ALA 16 Ca 0.04 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.48 2rm4 s ALA 16 Cb -0.13 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 19.96 2rm4 s ALA 16 CO -0.11 -1.58 0.64 0.00 0.00 0.00 0.00 175.76 174.71 2rm4 s ASP 18 N -4.28 -0.59 0.37 0.00 1.47 -1.20 -4.25 116.67 108.19 2rm4 s ASP 18 Ca 0.51 1.15 0.09 0.00 1.18 0.00 0.00 52.55 55.48 2rm4 s ASP 18 Cb -0.10 -1.71 0.84 0.00 -0.34 0.00 0.00 42.92 41.61 2rm4 s ASP 18 CO 0.36 -5.11 1.91 -0.33 0.68 0.00 0.00 175.17 172.68 2rm4 h GLU 19 N -3.25 0.64 0.00 2.11 5.08 -1.95 -0.01 114.58 117.20 2rm4 h GLU 19 Ca -0.52 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 57.72 2rm4 h GLU 19 Cb 1.34 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2rm4 h GLU 19 CO 0.37 0.42 -0.42 0.28 -1.00 0.00 0.00 179.01 178.65 2rm4 h VAL 20 N 0.66 0.84 0.00 3.13 2.07 -2.00 -3.15 116.25 117.80 2rm4 h VAL 20 Ca 0.38 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2rm4 h VAL 20 Cb 0.57 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2rm4 h VAL 20 CO -0.15 0.42 -0.81 0.18 0.02 0.00 0.00 177.57 177.23 2rm4 n LEU 21 N -3.37 0.66 0.00 2.57 4.77 -0.06 -5.05 117.00 116.52 2rm4 n LEU 21 Ca 0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2rm4 n LEU 21 Cb 0.61 -0.14 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 3.04 -0.72 0.00 -0.94 -4.83 105.19 103.75 2rm4 n GLY 22 Ca 0.03 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 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 0.70 0.11 1.61 1.01 -1.26 -1.95 120.40 120.62 2rm4 s VAL 23 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2rm4 s VAL 23 Cb 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2rm4 s VAL 23 CO 0.00 0.08 -0.08 0.72 0.00 0.00 0.00 175.10 175.82 2rm4 s PHE 24 N -0.45 1.03 0.01 5.22 -0.12 -1.05 -2.27 117.98 120.35 2rm4 s PHE 24 Ca 0.01 -0.81 0.01 0.00 -0.05 0.00 0.00 56.93 56.10 2rm4 s PHE 24 Cb -0.05 -0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 41.77 2rm4 s PHE 24 CO 0.00 -0.05 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.42 2rm4 s GLN 25 N -3.56 0.40 -0.04 1.99 -0.21 -0.09 -1.38 119.66 116.77 2rm4 s GLN 25 Ca 0.12 -0.40 -0.31 0.00 0.02 0.00 0.00 55.36 54.79 2rm4 s GLN 25 Cb 0.03 -0.27 0.13 0.00 1.00 0.00 0.00 33.01 33.89 2rm4 s GLN 25 CO -0.02 0.06 1.31 0.20 -2.12 0.00 0.00 175.29 174.72 2rm4 s GLY 26 N -0.74 -0.42 0.00 3.09 0.00 -1.04 -1.76 107.32 106.46 2rm4 s GLY 26 Ca -0.04 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 0.00 173.10 174.88 2rm4 s LEU 27 N -2.94 4.43 0.27 0.66 1.43 -1.25 -2.51 118.68 118.77 2rm4 s LEU 27 Ca 0.14 1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 54.07 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 0.16 1.33 -0.63 0.23 0.00 0.00 176.35 177.40 2rm4 s ILE 28 N -0.42 2.87 -0.19 -0.59 1.01 -0.83 -1.83 121.20 121.21 2rm4 s ILE 28 Ca 0.29 0.78 0.08 0.00 0.00 0.00 0.00 60.65 61.81 2rm4 s ILE 28 Cb -0.18 -3.50 -0.17 0.00 0.01 0.00 0.00 42.46 38.62 2rm4 s ILE 28 CO 0.16 0.15 -0.06 1.17 0.00 0.00 0.00 174.94 176.37 2rm4 n LYS 29 N 1.71 0.94 -3.68 2.79 4.81 0.24 0.11 118.16 125.08 2rm4 n LYS 29 Ca 0.03 0.05 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 2rm4 n LYS 29 Cb 0.42 -1.42 -0.07 0.00 0.02 0.00 0.00 35.03 33.97 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 -2.41 0.83 -0.00 1.64 -0.21 -1.05 -4.73 119.66 113.73 2rm4 s GLN 30 Ca -0.18 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.03 2rm4 s GLN 30 Cb 0.06 0.38 0.00 0.00 1.00 0.00 0.00 33.01 34.45 2rm4 s GLN 30 CO 0.59 -0.26 -0.01 0.42 -2.12 0.00 0.00 175.29 173.90 2rm4 s ILE 31 N -1.74 0.12 0.07 1.08 1.01 -1.26 -1.36 121.20 119.12 2rm4 s ILE 31 Ca -0.10 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 2rm4 s ILE 31 Cb -0.03 -0.12 -0.00 0.00 0.01 0.00 0.00 42.46 42.32 2rm4 s ILE 31 CO 0.03 0.04 0.18 -0.94 0.00 0.00 0.00 174.94 174.25 2rm4 s SER 32 N 0.08 0.11 0.62 3.58 1.04 -0.77 -4.82 113.70 113.54 2rm4 s SER 32 Ca -0.00 -0.58 0.31 0.00 0.48 0.00 0.00 55.95 56.15 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 0.00 173.24 175.60 2rm4 h ALA 33 N 2.97 1.67 0.00 5.32 0.00 -2.01 -1.46 119.26 125.75 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 -1.63 0.39 0.00 0.00 0.00 179.25 178.22 2rm4 n GLU 34 N -3.50 0.63 -3.56 0.00 1.02 -1.26 -4.85 120.64 109.12 2rm4 n GLU 34 Ca 0.01 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 2rm4 n GLU 34 Cb 0.37 -1.74 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.09 -0.04 3.49 -1.05 -0.55 -3.09 118.70 115.64 2rm4 s GLU 35 Ca -0.05 -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 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 2rm4 s GLU 35 CO 0.82 -0.42 -0.14 0.42 0.95 0.00 0.00 175.26 176.89 2rm4 s ILE 36 N -3.04 3.06 -0.08 1.83 -1.09 -0.93 -1.85 121.20 119.11 2rm4 s ILE 36 Ca -0.02 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.69 2rm4 s ILE 36 Cb -0.00 -2.21 0.01 0.00 -1.58 0.00 0.00 42.46 38.68 2rm4 s ILE 36 CO -0.06 0.57 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.14 2rm4 s THR 37 N -0.75 1.67 0.28 2.92 2.01 -0.46 -2.44 115.64 118.86 2rm4 s THR 37 Ca 0.12 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.35 2rm4 s THR 37 Cb -0.11 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 2rm4 s THR 37 CO 0.01 0.47 0.08 0.27 -0.69 0.00 0.00 174.62 174.76 2rm4 s ILE 38 N 0.47 0.79 0.23 1.82 -4.36 -0.83 -0.59 121.20 118.74 2rm4 s ILE 38 Ca -0.17 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.28 2rm4 s ILE 38 Cb -0.17 -2.67 -0.05 0.00 1.25 0.00 0.00 42.46 40.82 2rm4 s ILE 38 CO 0.07 -0.02 -0.07 0.68 0.24 0.00 0.00 174.94 175.83 2rm4 s VAL 39 N -3.59 1.45 -1.37 8.37 -7.23 -0.76 -2.11 120.40 115.16 2rm4 s VAL 39 Ca 0.37 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2rm4 s VAL 39 Cb 0.08 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.79 2rm4 s VAL 39 CO 0.14 -0.44 0.63 0.54 -0.31 0.00 0.00 175.10 175.66 2rm4 n ARG 40 N -0.44 -4.35 -2.19 4.82 1.74 -1.17 -3.86 116.66 111.21 2rm4 n ARG 40 Ca -0.07 0.54 -0.40 0.00 -0.77 0.00 0.00 57.85 57.15 2rm4 n ARG 40 Cb 0.62 -4.97 -0.02 0.00 -1.02 0.00 0.00 32.46 27.07 2rm4 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rm4 s ALA 41 N -3.73 3.36 -0.05 7.54 0.00 -1.26 -4.80 121.76 122.82 2rm4 s ALA 41 Ca 0.08 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.23 2rm4 s ALA 41 Cb -0.04 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2rm4 s ALA 41 CO 0.84 -0.59 -0.18 -0.06 0.00 0.00 0.00 175.76 175.77 2rm4 s PHE 42 N -1.23 2.59 0.01 0.00 0.40 -0.72 -3.09 117.98 115.94 2rm4 s PHE 42 Ca 0.52 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 2rm4 s PHE 42 Cb -0.36 -1.60 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 2rm4 s PHE 42 CO 0.47 0.08 -0.08 0.50 0.70 0.00 0.00 175.22 176.90 2rm4 s ARG 43 N -0.62 0.56 -1.51 0.44 3.52 -0.17 -0.91 118.95 120.27 2rm4 s ARG 43 Ca 0.09 -0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 55.17 2rm4 s ARG 43 Cb -0.11 -0.50 0.08 0.00 -1.56 0.00 0.00 34.95 32.86 2rm4 s ARG 43 CO 0.00 0.13 0.93 0.09 -0.81 0.00 0.00 175.30 175.64 2rm4 n ASN 44 N 2.48 -4.18 -1.59 -2.12 5.03 -0.96 -1.34 115.26 112.58 2rm4 n ASN 44 Ca -0.16 -0.80 -0.19 0.00 0.87 0.00 0.00 54.58 54.30 2rm4 n ASN 44 Cb 0.57 -3.84 -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 -1.68 1.40 3.11 7.41 0.00 -1.26 -4.96 105.19 109.21 2rm4 n GLY 45 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.10 0.51 1.61 1.01 -0.45 -5.15 120.40 115.27 2rm4 s VAL 46 Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 2rm4 s VAL 46 Cb 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.71 2rm4 s VAL 46 CO 0.00 -0.45 1.10 -2.84 0.00 0.00 0.00 175.10 172.90 2rm4 s PRO 47 N -1.84 3.60 0.46 2.72 0.02 -1.26 -1.00 135.00 137.70 2rm4 s PRO 47 Ca -0.11 1.54 -0.21 0.00 0.02 0.00 0.00 61.00 62.23 2rm4 s PRO 47 Cb -0.05 -2.11 -0.09 0.00 0.02 0.00 0.00 34.50 32.26 2rm4 s PRO 47 CO -0.01 -0.63 1.01 -0.51 -0.33 0.00 0.00 177.00 176.53 2rm4 s LEU 48 N -3.53 3.91 0.35 -5.54 1.43 -1.18 -4.80 118.68 109.32 2rm4 s LEU 48 Ca 0.69 1.86 0.06 0.00 -1.03 0.00 0.00 54.13 55.71 2rm4 s LEU 48 Cb -0.22 -4.51 0.74 0.00 0.03 0.00 0.00 46.19 42.24 2rm4 s LEU 48 CO 0.25 -0.60 1.92 -0.09 0.23 0.00 0.00 176.35 178.06 2rm4 h ARG 49 N 1.79 0.74 -4.68 1.70 2.43 -1.95 -3.33 114.38 111.09 2rm4 h ARG 49 Ca -0.49 -0.04 -0.71 0.00 -0.81 0.00 0.00 59.98 57.93 2rm4 h ARG 49 Cb 1.21 -0.17 -0.20 0.00 -0.42 0.00 0.00 29.97 30.39 2rm4 h ARG 49 CO 0.60 0.49 0.05 0.15 -1.51 0.00 0.00 179.97 179.75 2rm4 s LYS 50 N -5.71 3.05 0.33 0.20 1.02 -1.26 -4.91 119.74 112.47 2rm4 s LYS 50 Ca -0.10 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 54.65 2rm4 s LYS 50 Cb 0.20 -4.23 0.58 0.00 -0.52 0.00 0.00 37.83 33.87 2rm4 s LYS 50 CO 0.78 -1.43 1.91 1.96 -0.92 0.00 0.00 175.35 177.66 2rm4 h GLN 51 N 9.10 0.69 -0.07 1.68 4.20 -1.94 -2.24 115.11 126.52 2rm4 h GLN 51 Ca -0.29 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2rm4 h GLN 51 Cb 1.09 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.75 2rm4 h GLN 51 CO 1.06 0.59 0.00 0.09 -0.67 0.00 0.00 178.83 179.89 2rm4 n ASN 52 N -4.34 1.22 -4.74 1.46 3.02 -1.26 -3.03 115.26 107.59 2rm4 n ASN 52 Ca 0.04 -1.51 -0.41 0.00 -0.03 0.00 0.00 54.58 52.66 2rm4 n ASN 52 Cb 0.17 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 2rm4 n ASN 52 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rm4 s ALA 53 N -1.92 3.40 0.05 5.41 0.00 -0.84 -4.81 121.76 123.04 2rm4 s ALA 53 Ca 0.36 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 2rm4 s ALA 53 Cb 0.19 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 2rm4 s ALA 53 CO 0.30 -0.27 0.56 -1.83 0.00 0.00 0.00 175.76 174.52 2rm4 s GLU 54 N -0.43 4.20 -0.23 0.00 -1.05 -1.26 -4.00 118.70 115.92 2rm4 s GLU 54 Ca 0.50 0.70 -0.08 0.00 -0.15 0.00 0.00 54.97 55.95 2rm4 s GLU 54 Cb -0.31 -3.26 -0.03 0.00 -0.44 0.00 0.00 34.13 30.09 2rm4 s GLU 54 CO 0.36 0.58 0.08 0.08 0.95 0.00 0.00 175.26 177.31 2rm4 s VAL 55 N -0.89 4.48 -0.22 1.83 1.01 -0.90 -4.99 120.40 120.73 2rm4 s VAL 55 Ca 0.29 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2rm4 s VAL 55 Cb -0.19 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.16 2rm4 s VAL 55 CO 0.18 0.36 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 2rm4 s VAL 56 N 1.33 1.76 -0.04 2.92 1.01 -1.26 -1.96 120.40 124.15 2rm4 s VAL 56 Ca 0.05 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2rm4 s VAL 56 Cb -0.15 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2rm4 s VAL 56 CO 0.04 0.11 -0.13 -0.76 0.00 0.00 0.00 175.10 174.35 2rm4 s LEU 57 N 1.33 1.82 0.35 3.92 1.43 -1.02 -4.97 118.68 121.53 2rm4 s LEU 57 Ca -0.03 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 2rm4 s LEU 57 Cb -0.17 -0.80 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 2rm4 s LEU 57 CO -0.08 0.10 1.07 -0.54 0.23 0.00 0.00 176.35 177.13 2rm4 s LYS 58 N 0.22 4.35 0.48 1.70 1.02 -1.26 -2.18 119.74 124.07 2rm4 s LYS 58 Ca -0.06 1.63 0.20 0.00 0.02 0.00 0.00 55.97 57.77 2rm4 s LYS 58 Cb -0.11 -2.81 1.22 0.00 -0.52 0.00 0.00 37.83 35.61 2rm4 s LYS 58 CO 0.02 -0.00 1.97 0.00 -0.92 0.00 0.00 175.35 176.42 2rm4 h THR 60 N 0.20 0.84 0.00 0.00 1.35 -1.91 -2.20 112.91 111.19 2rm4 h THR 60 Ca 0.29 -0.66 -0.18 0.00 -0.55 0.00 0.00 66.41 65.32 2rm4 h THR 60 Cb 0.87 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.65 2rm4 h THR 60 CO -0.05 0.17 -1.33 0.44 -0.25 0.00 0.00 175.52 174.50 2rm4 h ASP 61 N 0.00 0.00 -3.83 5.36 3.32 -1.34 -3.46 116.42 116.47 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 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2rm4 h ASP 61 CO 0.02 0.63 0.27 -0.63 -1.72 0.00 0.00 179.24 177.81 2rm4 s ILE 62 N -2.88 4.37 -0.22 0.35 1.01 -0.73 -3.27 121.20 119.82 2rm4 s ILE 62 Ca -0.02 1.57 0.13 0.00 0.00 0.00 0.00 60.65 62.32 2rm4 s ILE 62 Cb 0.09 -3.87 -0.23 0.00 0.01 0.00 0.00 42.46 38.46 2rm4 s ILE 62 CO 0.81 0.05 -0.02 -1.14 0.00 0.00 0.00 174.94 174.63 2rm4 n ARG 63 N 0.31 0.68 -3.64 2.79 3.00 -0.38 -4.88 116.66 114.54 2rm4 n ARG 63 Ca 0.02 0.04 -0.05 0.00 -0.00 0.00 0.00 57.85 57.86 2rm4 n ARG 63 Cb 0.51 -1.52 -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 -5.81 -0.77 0.02 6.15 0.15 -1.12 -5.05 113.70 107.27 2rm4 s SER 64 Ca -0.18 1.23 -0.01 0.00 0.70 0.00 0.00 55.95 57.69 2rm4 s SER 64 Cb 0.07 1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 65.66 2rm4 s SER 64 CO 0.76 -0.19 0.17 -0.63 1.20 0.00 0.00 173.24 174.55 2rm4 s ILE 65 N 1.53 5.26 -0.06 6.45 1.01 -1.26 -2.16 121.20 131.97 2rm4 s ILE 65 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2rm4 s ILE 65 Cb -0.04 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2rm4 s ILE 65 CO -0.18 0.24 -0.04 1.51 0.00 0.00 0.00 174.94 176.47 2rm4 s ASP 66 N -2.17 1.24 -0.33 3.58 -4.77 -0.76 -5.01 116.67 108.45 2rm4 s ASP 66 Ca 0.30 -0.14 -0.29 0.00 -3.30 0.00 0.00 52.55 49.11 2rm4 s ASP 66 Cb -0.13 -0.50 0.00 0.00 -1.09 0.00 0.00 42.92 41.20 2rm4 s ASP 66 CO 0.22 -0.08 1.32 -0.76 0.70 0.00 0.00 175.17 176.57 2rm4 s LEU 67 N 1.20 3.80 -0.10 2.11 1.43 -1.26 -1.53 118.68 124.33 2rm4 s LEU 67 Ca -0.06 1.09 -0.24 0.00 -1.03 0.00 0.00 54.13 53.89 2rm4 s LEU 67 Cb -0.14 -3.54 -0.20 0.00 0.03 0.00 0.00 46.19 42.34 2rm4 s LEU 67 CO -0.02 -1.17 0.79 0.40 0.23 0.00 0.00 176.35 176.58 2rm4 h ILE 68 N 6.09 1.35 -3.56 -0.59 2.04 -1.11 -3.46 117.51 118.26 2rm4 h ILE 68 Ca -0.26 -1.77 -0.34 0.00 1.00 0.00 0.00 64.86 63.49 2rm4 h ILE 68 Cb 1.10 2.44 -0.33 0.00 -0.74 0.00 0.00 36.82 39.29 2rm4 h ILE 68 CO 1.05 0.42 -0.75 -1.61 0.00 0.00 0.00 178.15 177.25 2rm4 s GLU 69 N -2.71 0.38 0.69 2.37 2.02 -0.90 -5.03 118.70 115.51 2rm4 s GLU 69 Ca -0.15 0.01 -0.17 0.00 0.02 0.00 0.00 54.97 54.68 2rm4 s GLU 69 Cb -0.01 -0.49 0.01 0.00 0.10 0.00 0.00 34.13 33.73 2rm4 s GLU 69 CO 0.57 -0.08 1.20 -2.30 0.02 0.00 0.00 175.26 174.67 2rm4 n PRO 70 N 3.88 0.82 -1.69 0.39 -0.02 -1.26 -2.16 135.00 134.97 2rm4 n PRO 70 Ca -0.24 0.34 -0.37 0.00 -2.02 0.00 0.00 63.50 61.21 2rm4 n PRO 70 Cb 0.52 -2.44 0.07 0.00 -0.02 0.00 0.00 33.50 31.64 2rm4 n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rm4 s ALA 71 N -1.60 2.33 0.48 3.55 0.00 -1.26 -4.68 121.76 120.58 2rm4 s ALA 71 Ca 0.79 1.20 -0.19 0.00 0.00 0.00 0.00 51.96 53.76 2rm4 s ALA 71 Cb -0.36 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.11 2rm4 s ALA 71 CO 0.44 -1.67 0.98 0.15 0.00 0.00 0.00 175.76 175.67 2rm4 s LYS 72 N -3.43 4.00 0.39 0.00 -0.14 -1.26 -4.94 119.74 114.34 2rm4 s LYS 72 Ca 0.82 1.11 0.08 0.00 -1.36 0.00 0.00 55.97 56.62 2rm4 s LYS 72 Cb -0.37 -2.14 0.83 0.00 -1.68 0.00 0.00 37.83 34.47 2rm4 s LYS 72 CO 0.41 -0.24 1.98 0.37 -0.76 0.00 0.00 175.35 177.11 2rm4 h GLN 73 N 1.40 0.62 -6.93 1.68 4.15 -2.02 -3.42 115.11 110.59 2rm4 h GLN 73 Ca -0.48 -0.04 -0.54 0.00 0.77 0.00 0.00 58.65 58.37 2rm4 h GLN 73 Cb 1.19 -0.14 0.10 0.00 0.21 0.00 0.00 27.48 28.84 2rm4 h GLN 73 CO 0.61 0.41 0.75 -0.51 -1.93 0.00 0.00 178.83 178.16 2rm4 s ASP 74 N -6.30 6.42 -0.08 -0.69 1.01 -1.26 -4.99 116.67 110.79 2rm4 s ASP 74 Ca -0.09 2.98 -0.07 0.00 0.71 0.00 0.00 52.55 56.09 2rm4 s ASP 74 Cb 0.19 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 2rm4 s ASP 74 CO 0.76 -0.81 0.18 -0.76 0.21 0.00 0.00 175.17 174.75 2rm4 s LEU 75 N -2.00 4.39 -1.38 1.23 1.43 -1.26 -4.45 118.68 116.64 2rm4 s LEU 75 Ca 0.52 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 54.06 2rm4 s LEU 75 Cb -0.45 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.52 2rm4 s LEU 75 CO 0.61 0.36 0.80 0.47 0.23 0.00 0.00 176.35 178.81 2rm4 n ASP 76 N 1.66 -2.40 0.21 2.29 8.00 -1.26 -4.84 116.55 120.21 2rm4 n ASP 76 Ca -0.17 -0.80 0.11 0.00 0.71 0.00 0.00 54.79 54.64 2rm4 n ASP 76 Cb 0.54 -4.02 0.68 0.00 -0.02 0.00 0.00 41.12 38.30 2rm4 n ASP 76 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2rm4 h GLY 77 N -1.96 0.00 0.74 0.44 0.00 -1.99 -2.36 103.07 97.94 2rm4 h GLY 77 Ca -0.60 0.00 0.10 0.00 0.00 0.00 0.00 47.33 46.83 2rm4 h GLY 77 CO 0.60 0.00 0.56 0.45 0.00 0.00 0.00 176.54 178.15 2rm4 h HIS 78 N 0.00 0.92 -3.69 5.60 3.86 -1.97 -3.43 115.15 116.44 2rm4 h HIS 78 Ca 0.05 0.02 -0.31 0.00 -1.16 0.00 0.00 60.37 58.97 2rm4 h HIS 78 Cb 0.20 -0.30 -0.17 0.00 1.06 0.00 0.00 27.41 28.20 2rm4 h HIS 78 CO 0.00 0.42 -0.72 -0.08 0.86 0.00 0.00 177.93 178.41 2rm4 s THR 79 N -5.78 0.94 -0.57 2.45 -1.32 -0.89 -5.10 115.64 105.37 2rm4 s THR 79 Ca -0.11 -1.73 0.06 0.00 -1.21 0.00 0.00 61.69 58.70 2rm4 s THR 79 Cb 0.21 -1.46 0.22 0.00 -1.51 0.00 0.00 72.50 69.96 2rm4 s THR 79 CO 0.79 -0.62 0.60 0.00 -2.21 0.00 0.00 174.62 173.17 2rm4 n ALA 80 N 0.38 3.42 -1.62 11.08 0.00 -1.26 -4.85 120.51 127.66 2rm4 n ALA 80 Ca -0.15 -4.22 -0.35 0.00 0.00 0.00 0.00 53.44 48.72 2rm4 n ALA 80 Cb 0.58 -0.89 0.06 0.00 0.00 0.00 0.00 19.45 19.20 2rm4 n ALA 80 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2rm4 s PRO 81 N -1.68 2.63 -0.23 0.00 0.02 -1.26 -4.88 135.00 129.60 2rm4 s PRO 81 Ca 0.35 1.83 -0.28 0.00 0.02 0.00 0.00 61.00 62.92 2rm4 s PRO 81 Cb 0.10 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.70 2rm4 s PRO 81 CO -0.09 -1.47 2.01 -1.25 -0.33 0.00 0.00 177.00 175.87 2rm4 s PRO 82 N -3.55 3.34 0.47 5.54 0.04 -1.26 -4.93 135.00 134.64 2rm4 s PRO 82 Ca 0.77 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 63.42 2rm4 s PRO 82 Cb -0.31 -4.27 -0.08 0.00 0.04 0.00 0.00 34.50 29.88 2rm4 s PRO 82 CO 0.38 -1.86 1.40 -2.30 0.04 0.00 0.00 177.00 174.67 2rm4 n PRO 83 N 8.46 2.11 0.22 0.56 -0.02 -1.26 -4.90 135.00 140.16 2rm4 n PRO 83 Ca 0.26 0.75 0.09 0.00 -2.02 0.00 0.00 63.50 62.58 2rm4 n PRO 83 Cb 0.45 -2.60 0.43 0.00 -0.02 0.00 0.00 33.50 31.77 2rm4 n PRO 83 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2rm4 h VAL 84 N 2.09 0.60 -4.03 -1.45 -1.51 -2.05 -3.44 116.25 106.46 2rm4 h VAL 84 Ca -0.51 -1.19 -0.42 0.00 -1.23 0.00 0.00 66.70 63.36 2rm4 h VAL 84 Cb 1.28 1.80 -0.25 0.00 -2.13 0.00 0.00 31.29 31.99 2rm4 h VAL 84 CO 0.60 0.24 -0.78 0.54 -1.23 0.00 0.00 177.57 176.94 2rm4 s VAL 85 N -3.64 0.99 0.34 7.19 0.11 -1.26 -5.12 120.40 119.01 2rm4 s VAL 85 Ca 0.01 -0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 57.84 2rm4 s VAL 85 Cb 0.10 -0.91 -0.11 0.00 -1.53 0.00 0.00 36.38 33.93 2rm4 s VAL 85 CO 0.65 -0.01 1.52 -0.46 -3.33 0.00 0.00 175.10 173.47 2rm4 n ASN 86 N 1.98 3.75 -3.76 3.54 0.23 -1.26 -4.97 115.26 114.77 2rm4 n ASN 86 Ca -0.18 1.19 -0.28 0.00 -0.53 0.00 0.00 54.58 54.78 2rm4 n ASN 86 Cb 0.55 -1.60 -0.12 0.00 -2.08 0.00 0.00 39.78 36.53 2rm4 n ASN 86 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2rm4 s LYS 87 N -1.36 1.88 0.52 -3.83 2.36 -1.26 -5.10 119.74 112.95 2rm4 s LYS 87 Ca 0.58 -2.78 -0.23 0.00 -2.55 0.00 0.00 55.97 50.99 2rm4 s LYS 87 Cb -0.49 -2.79 -0.06 0.00 -1.05 0.00 0.00 37.83 33.44 2rm4 s LYS 87 CO 0.57 -1.27 1.39 -1.25 1.55 0.00 0.00 175.35 176.33 2rm4 s PRO 88 N -0.71 3.27 0.38 4.03 0.04 -1.26 -4.94 135.00 135.81 2rm4 s PRO 88 Ca 0.25 2.31 -0.27 0.00 0.04 0.00 0.00 61.00 63.33 2rm4 s PRO 88 Cb -0.08 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 2rm4 s PRO 88 CO -0.13 -1.11 1.24 0.99 0.04 0.00 0.00 177.00 178.03 2rm4 s THR 89 N -1.27 2.89 0.53 1.26 2.01 -1.26 -4.90 115.64 114.91 2rm4 s THR 89 Ca 0.69 0.81 0.24 0.00 0.31 0.00 0.00 61.69 63.74 2rm4 s THR 89 Cb -0.42 -3.49 0.31 0.00 0.01 0.00 0.00 72.50 68.91 2rm4 s THR 89 CO 0.51 0.13 2.18 1.55 -0.69 0.00 0.00 174.62 178.29 2rm4 h PRO 90 N 2.93 0.00 -5.94 4.92 0.13 -2.07 -3.41 132.00 128.56 2rm4 h PRO 90 Ca -0.49 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.96 2rm4 h PRO 90 Cb 1.23 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.07 2rm4 h PRO 90 CO 0.64 0.04 -0.84 0.08 -0.23 0.00 0.00 178.00 177.68 2rm4 s VAL 91 N -4.68 2.40 0.18 1.56 1.01 -1.26 -5.13 120.40 114.48 2rm4 s VAL 91 Ca -0.05 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 2rm4 s VAL 91 Cb 0.15 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2rm4 s VAL 91 CO 0.60 0.57 0.36 -0.54 0.00 0.00 0.00 175.10 176.08 2rm4 s LYS 92 N -0.17 3.51 0.29 2.72 1.02 -1.26 -5.12 119.74 120.73 2rm4 s LYS 92 Ca -0.03 -0.37 0.09 0.00 0.02 0.00 0.00 55.97 55.68 2rm4 s LYS 92 Cb -0.14 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 2rm4 s LYS 92 CO 0.04 0.44 0.05 -0.48 -0.92 0.00 0.00 175.35 174.48 2rm4 s LEU 93 N -3.20 3.24 0.35 3.17 2.34 -1.26 -5.08 118.68 118.24 2rm4 s LEU 93 Ca 0.38 -0.68 -0.29 0.00 0.06 0.00 0.00 54.13 53.60 2rm4 s LEU 93 Cb -0.11 -1.74 -0.11 0.00 -0.56 0.00 0.00 46.19 43.66 2rm4 s LEU 93 CO 0.28 -0.11 1.52 -2.65 -1.06 0.00 0.00 176.35 174.34 2rm4 n PRO 94 N -0.99 2.66 -1.22 1.48 -0.02 -1.26 -4.69 135.00 130.95 2rm4 n PRO 94 Ca -0.05 0.94 0.14 0.00 -2.02 0.00 0.00 63.50 62.50 2rm4 n PRO 94 Cb 0.60 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 2rm4 n PRO 94 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2rm4 n HIS 95 N 1.03 -2.86 -4.78 6.00 -0.00 -1.26 -4.85 115.22 108.50 2rm4 n HIS 95 Ca 0.04 1.50 -0.33 0.00 -0.00 0.00 0.00 57.72 58.93 2rm4 n HIS 95 Cb 0.38 -2.60 -0.13 0.00 -0.00 0.00 0.00 29.99 27.64 2rm4 n HIS 95 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2rm4 s PHE 96 N -3.20 2.80 0.05 1.57 0.40 -1.26 -5.12 117.98 113.21 2rm4 s PHE 96 Ca 0.00 -0.34 0.08 0.00 -0.60 0.00 0.00 56.93 56.07 2rm4 s PHE 96 Cb 0.00 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 2rm4 s PHE 96 CO 0.00 0.03 -0.23 -1.12 0.70 0.00 0.00 175.22 174.61 2rm4 s SER 97 N -0.24 2.70 -0.13 1.36 0.01 -1.26 -5.13 113.70 111.01 2rm4 s SER 97 Ca 0.02 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2rm4 s SER 97 Cb -0.13 -0.23 0.02 0.00 0.21 0.00 0.00 66.02 65.90 2rm4 s SER 97 CO 0.03 0.18 -0.11 0.54 0.41 0.00 0.00 173.24 174.29 2rm4 s ASN 98 N -1.26 2.44 0.21 2.44 4.22 -1.26 -5.13 114.94 116.60 2rm4 s ASN 98 Ca 0.09 -0.40 0.08 0.00 -2.14 0.00 0.00 52.86 50.49 2rm4 s ASN 98 Cb -0.09 -1.03 -0.05 0.00 1.28 0.00 0.00 41.25 41.36 2rm4 s ASN 98 CO 0.02 -0.08 -0.16 0.27 -2.04 0.00 0.00 177.10 175.12 2rm4 s ILE 99 N 1.53 1.85 -0.18 0.54 -4.36 -1.26 -5.14 121.20 114.18 2rm4 s ILE 99 Ca 0.04 -2.20 -0.08 0.00 -0.26 0.00 0.00 60.65 58.15 2rm4 s ILE 99 Cb -0.13 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 2rm4 s ILE 99 CO -0.09 -0.53 0.09 -0.22 0.24 0.00 0.00 174.94 174.43 2rm4 s LEU 100 N -3.25 3.98 0.00 0.37 2.96 -1.26 -5.38 118.68 116.10 2rm4 s LEU 100 Ca 0.23 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 2rm4 s LEU 100 Cb -0.02 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.66 2rm4 s LEU 100 CO 0.08 0.19 0.50 0.61 -1.32 0.00 0.00 176.35 176.40