#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 2.99 0.04 4.61 0.00 -1.26 -5.03 121.76 123.11 2rm4 s ALA 0 Ca 0.00 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 53.04 2rm4 s ALA 0 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2rm4 s ALA 0 CO 0.00 -1.05 0.31 -1.64 0.00 0.00 0.00 175.76 173.38 2rm4 s MET 1 N -2.67 0.79 0.10 0.00 1.00 -1.26 -5.18 119.30 112.10 2rm4 s MET 1 Ca 0.65 -0.46 0.05 0.00 0.00 0.00 0.00 55.69 55.93 2rm4 s MET 1 Cb -0.37 0.34 -0.04 0.00 0.00 0.00 0.00 34.83 34.77 2rm4 s MET 1 CO 0.45 -0.25 -0.13 0.20 0.00 0.00 0.00 175.02 175.29 2rm4 s GLY 2 N -1.97 0.95 -1.11 -0.03 0.00 -1.26 -5.04 107.32 98.87 2rm4 s GLY 2 Ca -0.06 -1.19 -0.14 0.00 0.00 0.00 0.00 44.72 43.33 2rm4 s GLY 2 CO -0.02 -1.25 2.21 -1.55 0.00 0.00 0.00 173.10 172.49 2rm4 n PRO 3 N 0.71 2.32 -0.29 2.90 -0.04 -1.26 -4.55 135.00 134.79 2rm4 n PRO 3 Ca -0.17 -1.97 0.08 0.00 -0.04 0.00 0.00 63.50 61.40 2rm4 n PRO 3 Cb 0.57 -2.86 0.23 0.00 -0.04 0.00 0.00 33.50 31.40 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 4.92 0.80 -2.72 0.52 -2.24 -1.26 -4.88 114.28 109.43 2rm4 n THR 4 Ca 0.53 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 2rm4 n THR 4 Cb 0.30 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 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 -0.95 6.98 0.00 3.42 1.01 -1.26 -4.76 116.67 121.11 2rm4 s ASP 5 Ca 0.34 1.84 0.21 0.00 0.71 0.00 0.00 52.55 55.66 2rm4 s ASP 5 Cb 0.19 -2.57 1.15 0.00 1.01 0.00 0.00 42.92 42.70 2rm4 s ASP 5 CO 0.22 -0.33 1.68 0.00 0.21 0.00 0.00 175.17 176.95 2rm4 n GLN 6 N -0.12 0.42 0.21 8.23 6.02 -1.26 -3.38 117.38 127.50 2rm4 n GLN 6 Ca 0.05 0.06 0.06 0.00 -0.01 0.00 0.00 57.00 57.16 2rm4 n GLN 6 Cb 0.51 -1.50 0.46 0.00 1.02 0.00 0.00 30.24 30.74 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 1.17 1.08 3.32 -1.98 -2.50 116.42 117.52 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 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2rm4 h ASP 7 CO 0.00 0.29 0.00 0.79 -1.72 0.00 0.00 179.24 178.60 2rm4 n TRP 8 N -3.89 0.73 -1.69 4.55 5.03 -1.22 -4.84 117.44 116.13 2rm4 n TRP 8 Ca -0.02 0.23 -0.44 0.00 3.03 0.00 0.00 57.50 60.30 2rm4 n TRP 8 Cb 0.37 -0.88 -0.03 0.00 -1.03 0.00 0.00 31.31 29.74 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 -2.12 0.53 -0.72 -0.99 2.08 -0.94 -0.41 119.36 116.78 2rm4 n ILE 9 Ca 0.05 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.23 2rm4 n ILE 9 Cb 0.35 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 37.62 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 2.78 0.97 3.86 7.39 0.00 0.30 -4.79 105.19 115.71 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 -2.56 3.58 0.09 0.00 0.00 -0.94 -1.86 121.76 120.07 2rm4 s ALA 12 Ca 0.55 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.95 2rm4 s ALA 12 Cb -0.10 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2rm4 s ALA 12 CO 0.34 -0.87 -0.08 0.14 0.00 0.00 0.00 175.76 175.29 2rm4 s VAL 13 N 2.45 0.74 -0.01 0.00 -7.23 -1.03 0.22 120.40 115.54 2rm4 s VAL 13 Ca 0.24 -1.78 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2rm4 s VAL 13 Cb -0.15 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2rm4 s VAL 13 CO 0.10 -0.75 -0.24 -0.55 -0.31 0.00 0.00 175.10 173.35 2rm4 s SER 14 N -2.76 2.83 -0.14 4.85 0.15 -0.56 -2.56 113.70 115.51 2rm4 s SER 14 Ca 0.08 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.29 2rm4 s SER 14 Cb 0.02 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2rm4 s SER 14 CO -0.03 0.28 -0.18 -0.63 1.20 0.00 0.00 173.24 173.89 2rm4 s ILE 15 N -0.61 1.78 -0.42 6.45 -1.09 -0.52 -2.06 121.20 124.73 2rm4 s ILE 15 Ca 0.09 -0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 57.57 2rm4 s ILE 15 Cb -0.09 -1.61 0.02 0.00 -1.58 0.00 0.00 42.46 39.20 2rm4 s ILE 15 CO -0.00 0.49 0.35 0.00 -1.23 0.00 0.00 174.94 174.55 2rm4 s ALA 16 N 1.15 3.46 0.45 9.38 0.00 -0.70 -2.52 121.76 132.99 2rm4 s ALA 16 Ca -0.01 -1.66 0.03 0.00 0.00 0.00 0.00 51.96 50.32 2rm4 s ALA 16 Cb -0.14 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2rm4 s ALA 16 CO -0.07 -1.51 0.65 0.00 0.00 0.00 0.00 175.76 174.83 2rm4 n ASP 18 N -2.04 -1.98 -0.17 0.00 8.00 -1.23 -4.23 116.55 114.91 2rm4 n ASP 18 Ca 0.04 -0.22 0.14 0.00 0.71 0.00 0.00 54.79 55.46 2rm4 n ASP 18 Cb 0.58 -1.21 0.49 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.73 0.44 0.00 -1.24 4.39 -1.96 0.14 114.58 113.62 2rm4 h GLU 19 Ca -0.63 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 58.96 2rm4 h GLU 19 Cb 1.34 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 2rm4 h GLU 19 CO 0.49 0.29 -0.40 0.28 -1.16 0.00 0.00 179.01 178.51 2rm4 h VAL 20 N 0.45 0.83 0.00 3.13 2.07 -2.01 -3.09 116.25 117.63 2rm4 h VAL 20 Ca 0.36 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2rm4 h VAL 20 Cb 0.79 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2rm4 h VAL 20 CO -0.12 0.39 -0.91 0.18 0.02 0.00 0.00 177.57 177.13 2rm4 n LEU 21 N -3.40 0.71 0.00 2.57 4.77 0.44 -5.05 117.00 117.04 2rm4 n LEU 21 Ca 0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2rm4 n LEU 21 Cb 0.58 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2rm4 n LEU 21 CO 0.38 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2rm4 n GLY 22 N 1.28 0.65 3.06 -0.72 0.00 -0.85 -4.83 105.19 103.78 2rm4 n GLY 22 Ca 0.01 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 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 0.85 0.14 1.61 1.01 -1.26 -1.84 120.40 120.90 2rm4 s VAL 23 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2rm4 s VAL 23 Cb 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2rm4 s VAL 23 CO 0.00 0.20 -0.10 0.72 0.00 0.00 0.00 175.10 175.92 2rm4 s PHE 24 N -0.33 1.21 0.02 5.22 -0.12 -1.05 -2.28 117.98 120.66 2rm4 s PHE 24 Ca 0.03 -0.75 0.02 0.00 -0.05 0.00 0.00 56.93 56.18 2rm4 s PHE 24 Cb -0.05 -0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 41.70 2rm4 s PHE 24 CO -0.00 0.06 -0.06 -0.65 -0.05 0.00 0.00 175.22 174.51 2rm4 s GLN 25 N -3.58 0.46 -0.04 1.99 -0.21 0.16 -1.44 119.66 117.00 2rm4 s GLN 25 Ca 0.14 -0.54 -0.31 0.00 0.02 0.00 0.00 55.36 54.68 2rm4 s GLN 25 Cb 0.02 -0.30 0.13 0.00 1.00 0.00 0.00 33.01 33.86 2rm4 s GLN 25 CO 0.00 0.06 1.31 0.20 -2.12 0.00 0.00 175.29 174.75 2rm4 s GLY 26 N -1.04 -0.43 -0.01 3.09 0.00 -1.06 -2.26 107.32 105.61 2rm4 s GLY 26 Ca -0.06 0.79 -0.19 0.00 0.00 0.00 0.00 44.72 45.26 2rm4 s GLY 26 CO 0.00 0.15 0.56 1.08 0.00 0.00 0.00 173.10 174.89 2rm4 s LEU 27 N -2.94 4.42 0.28 0.66 1.43 -1.25 -2.46 118.68 118.82 2rm4 s LEU 27 Ca 0.14 1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 54.05 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 0.13 1.38 -0.63 0.23 0.00 0.00 176.35 177.41 2rm4 s ILE 28 N -0.27 2.71 -0.14 -0.59 1.01 -0.78 -1.92 121.20 121.22 2rm4 s ILE 28 Ca 0.29 0.64 0.10 0.00 0.00 0.00 0.00 60.65 61.68 2rm4 s ILE 28 Cb -0.18 -3.41 -0.15 0.00 0.01 0.00 0.00 42.46 38.73 2rm4 s ILE 28 CO 0.16 0.12 0.01 1.17 0.00 0.00 0.00 174.94 176.41 2rm4 n LYS 29 N 1.67 1.62 -3.68 2.79 3.00 0.11 0.11 118.16 123.79 2rm4 n LYS 29 Ca 0.04 0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.22 2rm4 n LYS 29 Cb 0.41 -1.34 -0.07 0.00 0.00 0.00 0.00 35.03 34.03 2rm4 n LYS 29 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2rm4 s GLN 30 N -2.32 0.85 -0.01 1.64 -0.21 -0.99 -4.77 119.66 113.85 2rm4 s GLN 30 Ca -0.09 -0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.12 2rm4 s GLN 30 Cb 0.04 0.38 0.01 0.00 1.00 0.00 0.00 33.01 34.44 2rm4 s GLN 30 CO 0.51 -0.26 0.00 0.42 -2.12 0.00 0.00 175.29 173.84 2rm4 s ILE 31 N -1.76 0.04 0.07 1.08 1.01 -1.26 -1.43 121.20 118.95 2rm4 s ILE 31 Ca -0.10 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.50 2rm4 s ILE 31 Cb -0.02 -0.08 -0.00 0.00 0.01 0.00 0.00 42.46 42.36 2rm4 s ILE 31 CO 0.03 0.04 0.17 -0.94 0.00 0.00 0.00 174.94 174.24 2rm4 s SER 32 N 0.28 0.11 0.61 3.58 1.04 -0.79 -4.88 113.70 113.66 2rm4 s SER 32 Ca -0.02 -0.57 0.30 0.00 0.48 0.00 0.00 55.95 56.14 2rm4 s SER 32 Cb -0.04 0.31 1.67 0.00 0.10 0.00 0.00 66.02 68.06 2rm4 s SER 32 CO -0.01 -0.65 2.05 0.00 0.98 0.00 0.00 173.24 175.61 2rm4 h ALA 33 N 3.06 1.75 0.00 5.32 0.00 -1.95 -1.45 119.26 125.99 2rm4 h ALA 33 Ca -0.33 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2rm4 h ALA 33 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2rm4 h ALA 33 CO 0.54 -0.37 -1.60 -0.85 0.00 0.00 0.00 179.25 176.97 2rm4 n GLU 34 N -3.58 0.64 -3.56 0.00 0.28 -1.26 -4.87 120.64 108.28 2rm4 n GLU 34 Ca 0.02 0.01 -0.13 0.00 -0.16 0.00 0.00 57.16 56.90 2rm4 n GLU 34 Cb 0.39 -1.68 -0.05 0.00 1.43 0.00 0.00 31.44 31.53 2rm4 n GLU 34 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2rm4 s GLU 35 N -3.26 1.08 -0.06 3.44 -1.05 -0.55 -3.41 118.70 114.91 2rm4 s GLU 35 Ca -0.05 -0.36 0.03 0.00 -0.15 0.00 0.00 54.97 54.45 2rm4 s GLU 35 Cb 0.11 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.26 2rm4 s GLU 35 CO 0.84 -0.41 -0.14 0.42 0.95 0.00 0.00 175.26 176.92 2rm4 s ILE 36 N -2.91 3.08 -0.06 1.83 -1.09 -0.93 -1.88 121.20 119.24 2rm4 s ILE 36 Ca -0.03 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 57.72 2rm4 s ILE 36 Cb -0.00 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.67 2rm4 s ILE 36 CO -0.05 0.59 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.18 2rm4 s THR 37 N -0.66 1.50 0.27 2.92 2.01 -0.51 -2.41 115.64 118.76 2rm4 s THR 37 Ca 0.10 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.39 2rm4 s THR 37 Cb -0.11 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2rm4 s THR 37 CO 0.01 0.43 0.13 0.27 -0.69 0.00 0.00 174.62 174.77 2rm4 s ILE 38 N 0.30 0.39 0.23 1.82 -4.36 -0.79 -0.72 121.20 118.07 2rm4 s ILE 38 Ca -0.11 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.34 2rm4 s ILE 38 Cb -0.14 -2.57 -0.05 0.00 1.25 0.00 0.00 42.46 40.95 2rm4 s ILE 38 CO 0.04 0.00 -0.06 0.68 0.24 0.00 0.00 174.94 175.84 2rm4 s VAL 39 N -3.75 1.34 -0.85 8.37 -7.23 -0.81 -1.99 120.40 115.49 2rm4 s VAL 39 Ca 0.37 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 2rm4 s VAL 39 Cb 0.07 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 2rm4 s VAL 39 CO 0.15 -0.43 0.74 0.54 -0.31 0.00 0.00 175.10 175.79 2rm4 n ARG 40 N -0.42 -1.52 -2.16 4.82 5.12 -1.22 -3.76 116.66 117.52 2rm4 n ARG 40 Ca -0.07 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 3.60 -0.09 7.54 0.00 -1.26 -4.68 121.76 123.76 2rm4 s ALA 41 Ca 0.14 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.07 2rm4 s ALA 41 Cb -0.03 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 2rm4 s ALA 41 CO 0.78 -0.94 -0.14 -0.06 0.00 0.00 0.00 175.76 175.39 2rm4 s PHE 42 N 2.40 2.73 0.01 0.00 0.40 -0.96 -2.84 117.98 119.73 2rm4 s PHE 42 Ca 0.66 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.59 2rm4 s PHE 42 Cb -0.33 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.46 2rm4 s PHE 42 CO 0.28 -0.02 -0.08 0.50 0.70 0.00 0.00 175.22 176.60 2rm4 s ARG 43 N -0.20 0.56 -1.55 0.44 3.52 -0.56 -0.67 118.95 120.50 2rm4 s ARG 43 Ca 0.00 -0.44 -0.14 0.00 -0.13 0.00 0.00 55.73 55.02 2rm4 s ARG 43 Cb -0.13 -0.48 0.09 0.00 -1.56 0.00 0.00 34.95 32.87 2rm4 s ARG 43 CO 0.03 0.12 0.97 0.09 -0.81 0.00 0.00 175.30 175.71 2rm4 n ASN 44 N 2.39 -4.75 -1.61 -2.12 5.03 -0.97 -1.18 115.26 112.04 2rm4 n ASN 44 Ca -0.16 -0.79 -0.19 0.00 0.87 0.00 0.00 54.58 54.30 2rm4 n ASN 44 Cb 0.57 -3.80 -0.07 0.00 -1.02 0.00 0.00 39.78 35.46 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 -1.67 1.37 3.08 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 0.30 1.61 1.01 -0.33 -5.14 120.40 115.21 2rm4 s VAL 46 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2rm4 s VAL 46 Cb 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.70 2rm4 s VAL 46 CO 0.00 -0.50 1.20 -2.84 0.00 0.00 0.00 175.10 172.97 2rm4 s PRO 47 N -1.88 4.50 0.46 2.72 0.02 -1.26 -1.49 135.00 138.06 2rm4 s PRO 47 Ca -0.11 2.01 -0.20 0.00 0.02 0.00 0.00 61.00 62.71 2rm4 s PRO 47 Cb -0.06 -3.13 -0.10 0.00 0.02 0.00 0.00 34.50 31.23 2rm4 s PRO 47 CO -0.01 0.01 0.99 -0.51 -0.33 0.00 0.00 177.00 177.14 2rm4 s LEU 48 N -1.58 3.88 0.37 -5.54 1.43 -1.13 -4.85 118.68 111.27 2rm4 s LEU 48 Ca 0.47 1.77 0.08 0.00 -1.03 0.00 0.00 54.13 55.42 2rm4 s LEU 48 Cb -0.36 -4.55 0.80 0.00 0.03 0.00 0.00 46.19 42.12 2rm4 s LEU 48 CO 0.47 -0.54 1.96 0.03 0.23 0.00 0.00 176.35 178.50 2rm4 h ARG 49 N 1.71 0.66 -4.71 1.70 3.08 -1.95 -3.30 114.38 111.58 2rm4 h ARG 49 Ca -0.49 -0.04 -0.72 0.00 0.07 0.00 0.00 59.98 58.80 2rm4 h ARG 49 Cb 1.20 -0.15 -0.20 0.00 0.08 0.00 0.00 29.97 30.90 2rm4 h ARG 49 CO 0.60 0.44 0.63 0.15 -1.07 0.00 0.00 179.97 180.72 2rm4 s LYS 50 N -5.62 3.59 0.25 0.04 1.02 -1.26 -4.87 119.74 112.90 2rm4 s LYS 50 Ca -0.09 -1.94 -0.05 0.00 0.02 0.00 0.00 55.97 53.92 2rm4 s LYS 50 Cb 0.20 -4.77 0.29 0.00 -0.52 0.00 0.00 37.83 33.03 2rm4 s LYS 50 CO 0.77 -1.64 1.86 0.37 -0.92 0.00 0.00 175.35 175.78 2rm4 h GLN 51 N 8.56 1.11 -0.07 1.68 4.15 -1.92 -2.40 115.11 126.24 2rm4 h GLN 51 Ca 0.13 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2rm4 h GLN 51 Cb 1.03 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.51 2rm4 h GLN 51 CO 1.01 0.85 0.00 0.09 -1.93 0.00 0.00 178.83 178.85 2rm4 n ASN 52 N -4.32 1.16 -4.74 -0.69 3.02 -1.26 -3.43 115.26 105.00 2rm4 n ASN 52 Ca 0.08 -1.50 -0.41 0.00 -0.03 0.00 0.00 54.58 52.72 2rm4 n ASN 52 Cb 0.13 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 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 3.38 0.11 5.41 0.00 -0.90 -4.84 121.76 122.99 2rm4 s ALA 53 Ca 0.36 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 2rm4 s ALA 53 Cb 0.19 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2rm4 s ALA 53 CO 0.30 -0.21 0.60 -1.83 0.00 0.00 0.00 175.76 174.62 2rm4 s GLU 54 N -0.42 4.22 -0.23 0.00 -1.05 -1.26 -4.09 118.70 115.87 2rm4 s GLU 54 Ca 0.49 0.77 -0.08 0.00 -0.15 0.00 0.00 54.97 56.00 2rm4 s GLU 54 Cb -0.30 -3.17 -0.04 0.00 -0.44 0.00 0.00 34.13 30.18 2rm4 s GLU 54 CO 0.35 0.59 0.09 0.08 0.95 0.00 0.00 175.26 177.33 2rm4 s VAL 55 N -1.19 4.71 -0.22 1.83 1.01 -0.84 -4.98 120.40 120.72 2rm4 s VAL 55 Ca 0.32 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2rm4 s VAL 55 Cb -0.19 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2rm4 s VAL 55 CO 0.20 0.36 -0.10 -0.69 0.00 0.00 0.00 175.10 174.87 2rm4 s VAL 56 N 1.20 1.75 -0.05 2.92 1.01 -1.26 -1.88 120.40 124.09 2rm4 s VAL 56 Ca 0.05 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 60.89 2rm4 s VAL 56 Cb -0.14 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2rm4 s VAL 56 CO 0.04 0.09 -0.13 -0.76 0.00 0.00 0.00 175.10 174.34 2rm4 s LEU 57 N 1.33 1.79 0.34 3.92 1.43 -1.01 -4.98 118.68 121.50 2rm4 s LEU 57 Ca -0.03 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 52.51 2rm4 s LEU 57 Cb -0.17 -0.81 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 2rm4 s LEU 57 CO -0.07 0.09 1.07 -0.54 0.23 0.00 0.00 176.35 177.12 2rm4 s LYS 58 N 0.29 4.39 0.48 1.70 1.02 -1.26 -2.19 119.74 124.17 2rm4 s LYS 58 Ca -0.07 1.64 0.20 0.00 0.02 0.00 0.00 55.97 57.77 2rm4 s LYS 58 Cb -0.12 -2.85 1.23 0.00 -0.52 0.00 0.00 37.83 35.56 2rm4 s LYS 58 CO 0.02 0.03 1.97 0.00 -0.92 0.00 0.00 175.35 176.46 2rm4 h THR 60 N 0.20 0.85 0.00 0.00 1.35 -1.91 -1.92 112.91 111.48 2rm4 h THR 60 Ca 0.29 -0.62 -0.12 0.00 -0.55 0.00 0.00 66.41 65.41 2rm4 h THR 60 Cb 0.86 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 2rm4 h THR 60 CO -0.05 0.16 -1.22 0.44 -0.25 0.00 0.00 175.52 174.60 2rm4 h ASP 61 N 0.00 0.00 -3.82 5.36 3.32 -1.39 -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 0.43 0.31 -0.63 -1.72 0.00 0.00 179.24 177.64 2rm4 s ILE 62 N -3.03 4.26 -0.21 0.35 1.01 -0.72 -3.48 121.20 119.37 2rm4 s ILE 62 Ca -0.02 1.76 0.13 0.00 0.00 0.00 0.00 60.65 62.52 2rm4 s ILE 62 Cb 0.09 -4.01 -0.22 0.00 0.01 0.00 0.00 42.46 38.33 2rm4 s ILE 62 CO 0.80 0.18 -0.02 -1.14 0.00 0.00 0.00 174.94 174.76 2rm4 n ARG 63 N 0.67 0.75 -3.46 2.79 3.00 -0.49 -4.90 116.66 115.02 2rm4 n ARG 63 Ca 0.01 0.04 -0.13 0.00 -0.00 0.00 0.00 57.85 57.77 2rm4 n ARG 63 Cb 0.50 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.43 2rm4 n ARG 63 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2rm4 s SER 64 N -5.72 -0.56 0.02 6.15 1.04 -1.09 -5.05 113.70 108.50 2rm4 s SER 64 Ca -0.17 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2rm4 s SER 64 Cb 0.07 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 2rm4 s SER 64 CO 0.73 -0.82 -0.03 -0.63 0.98 0.00 0.00 173.24 173.47 2rm4 s ILE 65 N -2.98 0.12 -0.04 -1.02 1.01 -1.26 -1.71 121.20 115.31 2rm4 s ILE 65 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2rm4 s ILE 65 Cb -0.01 -0.25 0.03 0.00 0.01 0.00 0.00 42.46 42.24 2rm4 s ILE 65 CO -0.07 -0.43 -0.01 1.51 0.00 0.00 0.00 174.94 175.95 2rm4 s ASP 66 N -1.28 0.75 -0.34 3.58 -4.77 -0.87 -5.01 116.67 108.72 2rm4 s ASP 66 Ca -0.14 -0.05 -0.29 0.00 -3.30 0.00 0.00 52.55 48.77 2rm4 s ASP 66 Cb -0.09 -0.30 0.01 0.00 -1.09 0.00 0.00 42.92 41.45 2rm4 s ASP 66 CO -0.01 -0.11 1.29 -0.76 0.70 0.00 0.00 175.17 176.28 2rm4 s LEU 67 N 1.19 3.81 -0.07 2.11 1.43 -1.26 -1.50 118.68 124.39 2rm4 s LEU 67 Ca -0.07 1.06 -0.19 0.00 -1.03 0.00 0.00 54.13 53.90 2rm4 s LEU 67 Cb -0.13 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.40 2rm4 s LEU 67 CO -0.02 -1.14 0.75 0.40 0.23 0.00 0.00 176.35 176.57 2rm4 h ILE 68 N 6.05 0.83 -3.84 -0.59 2.04 -0.56 -3.47 117.51 117.98 2rm4 h ILE 68 Ca -0.26 -1.24 -0.30 0.00 1.00 0.00 0.00 64.86 64.06 2rm4 h ILE 68 Cb 1.09 1.45 -0.29 0.00 -0.74 0.00 0.00 36.82 38.33 2rm4 h ILE 68 CO 1.05 0.23 -0.74 -1.61 0.00 0.00 0.00 178.15 177.08 2rm4 s GLU 69 N -3.06 0.30 0.73 2.37 0.41 -0.92 -5.02 118.70 113.52 2rm4 s GLU 69 Ca -0.12 -0.12 -0.16 0.00 -0.41 0.00 0.00 54.97 54.16 2rm4 s GLU 69 Cb -0.00 -0.30 0.03 0.00 -1.78 0.00 0.00 34.13 32.08 2rm4 s GLU 69 CO 0.44 0.07 1.16 -2.30 -0.49 0.00 0.00 175.26 174.14 2rm4 n PRO 70 N 3.04 0.58 -0.09 0.39 -0.02 -1.26 -2.20 135.00 135.43 2rm4 n PRO 70 Ca -0.13 0.26 -0.06 0.00 -2.02 0.00 0.00 63.50 61.55 2rm4 n PRO 70 Cb 0.58 -2.41 0.06 0.00 -0.02 0.00 0.00 33.50 31.71 2rm4 n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rm4 n ALA 71 N -2.61 -0.93 -0.11 3.55 0.00 -1.26 -4.61 120.51 114.54 2rm4 n ALA 71 Ca 0.14 -0.31 0.07 0.00 0.00 0.00 0.00 53.44 53.34 2rm4 n ALA 71 Cb 0.49 -0.03 0.40 0.00 0.00 0.00 0.00 19.45 20.32 2rm4 n ALA 71 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2rm4 h LYS 72 N 0.00 0.61 -5.66 0.00 3.64 -1.87 -3.41 116.57 109.89 2rm4 h LYS 72 Ca -0.08 -0.04 -0.64 0.00 -1.27 0.00 0.00 60.65 58.63 2rm4 h LYS 72 Cb 0.26 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 2rm4 h LYS 72 CO 0.05 0.40 -0.40 -0.65 -2.27 0.00 0.00 179.45 176.59 2rm4 s GLN 73 N -5.56 3.74 0.17 1.90 -0.21 -1.26 -5.07 119.66 113.37 2rm4 s GLN 73 Ca -0.09 0.01 -0.30 0.00 0.02 0.00 0.00 55.36 55.01 2rm4 s GLN 73 Cb 0.19 -3.25 -0.07 0.00 1.00 0.00 0.00 33.01 30.87 2rm4 s GLN 73 CO 0.75 0.63 1.07 -0.51 -2.12 0.00 0.00 175.29 175.12 2rm4 s ASP 74 N -0.68 7.32 -0.18 5.90 1.01 -1.26 -5.01 116.67 123.76 2rm4 s ASP 74 Ca 0.16 2.05 -0.05 0.00 0.71 0.00 0.00 52.55 55.42 2rm4 s ASP 74 Cb -0.13 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 2rm4 s ASP 74 CO 0.05 -0.18 0.00 -0.22 0.21 0.00 0.00 175.17 175.04 2rm4 s LEU 75 N -0.39 3.43 -0.26 1.23 0.20 -1.26 -5.08 118.68 116.55 2rm4 s LEU 75 Ca 0.48 -0.08 -0.24 0.00 0.69 0.00 0.00 54.13 54.98 2rm4 s LEU 75 Cb -0.28 -1.85 -0.00 0.00 -0.43 0.00 0.00 46.19 43.62 2rm4 s LEU 75 CO 0.34 0.14 0.81 -0.62 -0.29 0.00 0.00 176.35 176.73 2rm4 s ASP 76 N 0.53 6.76 0.03 3.68 2.15 -1.26 -4.98 116.67 123.59 2rm4 s ASP 76 Ca -0.01 0.90 -0.04 0.00 0.43 0.00 0.00 52.55 53.84 2rm4 s ASP 76 Cb -0.14 -2.42 0.01 0.00 -0.30 0.00 0.00 42.92 40.08 2rm4 s ASP 76 CO 0.02 -0.54 0.19 0.61 -0.17 0.00 0.00 175.17 175.28 2rm4 n GLY 77 N 3.92 1.17 0.35 2.66 0.00 -1.26 -5.02 105.19 107.01 2rm4 n GLY 77 Ca 0.05 -0.96 0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 1.18 0.89 -3.61 1.61 2.76 -2.00 -3.40 115.15 112.59 2rm4 h HIS 78 Ca -0.05 0.02 -0.52 0.00 -2.20 0.00 0.00 60.37 57.62 2rm4 h HIS 78 Cb 0.22 -0.30 0.03 0.00 1.55 0.00 0.00 27.41 28.92 2rm4 h HIS 78 CO 0.00 0.51 0.60 0.99 -1.30 0.00 0.00 177.93 178.73 2rm4 s THR 79 N -5.79 3.21 -1.03 6.26 2.01 -1.26 -3.66 115.64 115.38 2rm4 s THR 79 Ca -0.11 1.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.86 2rm4 s THR 79 Cb 0.19 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 2rm4 s THR 79 CO 0.78 0.21 0.80 0.00 -0.69 0.00 0.00 174.62 175.72 2rm4 n ALA 80 N 1.86 -2.55 -0.04 7.40 0.00 -1.26 -4.90 120.51 121.02 2rm4 n ALA 80 Ca 0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 2rm4 n ALA 80 Cb 0.43 -3.89 -0.03 0.00 0.00 0.00 0.00 19.45 15.96 2rm4 n ALA 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2rm4 h PRO 81 N -1.20 0.18 -7.06 0.00 0.11 -1.77 -3.43 132.00 118.83 2rm4 h PRO 81 Ca -0.55 -0.01 -0.55 0.00 0.11 0.00 0.00 66.00 65.00 2rm4 h PRO 81 Cb 1.30 -0.04 0.14 0.00 0.11 0.00 0.00 31.00 32.50 2rm4 h PRO 81 CO 0.43 0.12 0.59 -2.14 -0.21 0.00 0.00 178.00 176.79 2rm4 s PRO 82 N -6.18 3.06 0.55 1.05 0.02 -1.26 -4.93 135.00 127.31 2rm4 s PRO 82 Ca -0.13 2.19 -0.22 0.00 0.02 0.00 0.00 61.00 62.86 2rm4 s PRO 82 Cb 0.09 -2.19 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 2rm4 s PRO 82 CO 0.69 -1.24 1.35 -1.25 -0.33 0.00 0.00 177.00 176.22 2rm4 s PRO 83 N -2.98 3.13 -0.09 5.54 0.04 -1.26 -5.01 135.00 134.37 2rm4 s PRO 83 Ca 0.73 2.21 0.02 0.00 0.04 0.00 0.00 61.00 64.01 2rm4 s PRO 83 Cb -0.39 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 2rm4 s PRO 83 CO 0.46 -1.19 -0.15 0.08 0.04 0.00 0.00 177.00 176.24 2rm4 s VAL 84 N -1.32 2.90 -0.08 -0.36 1.01 -1.26 -5.12 120.40 116.18 2rm4 s VAL 84 Ca 0.72 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2rm4 s VAL 84 Cb -0.40 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 2rm4 s VAL 84 CO 0.47 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 175.25 2rm4 s VAL 85 N -0.18 2.63 -0.12 2.92 1.01 -1.26 -5.12 120.40 120.28 2rm4 s VAL 85 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 2rm4 s VAL 85 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2rm4 s VAL 85 CO 0.03 0.56 0.05 0.20 0.00 0.00 0.00 175.10 175.95 2rm4 s ASN 86 N -0.19 5.63 0.52 3.32 0.01 -1.26 -5.09 114.94 117.88 2rm4 s ASN 86 Ca -0.01 0.21 -0.21 0.00 -0.71 0.00 0.00 52.86 52.14 2rm4 s ASN 86 Cb -0.13 -1.76 -0.06 0.00 0.41 0.00 0.00 41.25 39.71 2rm4 s ASN 86 CO 0.03 0.34 1.22 -0.54 -1.51 0.00 0.00 177.10 176.63 2rm4 s LYS 87 N -0.61 3.39 0.54 -0.60 1.02 -1.26 -4.96 119.74 117.27 2rm4 s LYS 87 Ca 0.11 1.87 -0.22 0.00 0.02 0.00 0.00 55.97 57.76 2rm4 s LYS 87 Cb -0.12 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.93 2rm4 s LYS 87 CO 0.02 -0.88 1.35 -1.25 -0.92 0.00 0.00 175.35 173.67 2rm4 s PRO 88 N -2.96 3.17 -0.33 -1.68 0.04 -1.26 -5.00 135.00 126.98 2rm4 s PRO 88 Ca 0.70 2.22 0.03 0.00 0.04 0.00 0.00 61.00 63.98 2rm4 s PRO 88 Cb -0.31 -2.27 0.10 0.00 0.04 0.00 0.00 34.50 32.06 2rm4 s PRO 88 CO 0.36 -1.17 0.06 -0.08 0.04 0.00 0.00 177.00 176.22 2rm4 s THR 89 N -1.31 1.86 0.40 1.26 -1.32 -1.26 -4.98 115.64 110.29 2rm4 s THR 89 Ca 0.71 -2.05 0.25 0.00 -1.21 0.00 0.00 61.69 59.39 2rm4 s THR 89 Cb -0.40 -2.38 0.27 0.00 -1.51 0.00 0.00 72.50 68.48 2rm4 s THR 89 CO 0.47 -0.61 2.04 1.55 -2.21 0.00 0.00 174.62 175.86 2rm4 h PRO 90 N 7.75 0.00 0.00 7.08 0.13 -2.05 -2.81 132.00 142.11 2rm4 h PRO 90 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 2rm4 h PRO 90 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2rm4 h PRO 90 CO 0.50 0.14 -0.20 -0.39 -0.23 0.00 0.00 178.00 177.83 2rm4 h VAL 91 N 0.00 0.96 -2.91 1.56 -1.51 -2.03 -3.41 116.25 108.90 2rm4 h VAL 91 Ca -0.00 -0.72 -0.63 0.00 -1.23 0.00 0.00 66.70 64.12 2rm4 h VAL 91 Cb 0.37 1.41 -0.07 0.00 -2.13 0.00 0.00 31.29 30.87 2rm4 h VAL 91 CO 0.02 0.19 -0.34 -0.54 -1.23 0.00 0.00 177.57 175.67 2rm4 s LYS 92 N -4.40 3.79 0.30 5.19 1.02 -1.06 -5.10 119.74 119.47 2rm4 s LYS 92 Ca -0.03 0.13 0.09 0.00 0.02 0.00 0.00 55.97 56.18 2rm4 s LYS 92 Cb 0.15 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2rm4 s LYS 92 CO 0.66 0.64 0.03 -0.48 -0.92 0.00 0.00 175.35 175.29 2rm4 s LEU 93 N -0.77 3.17 0.73 3.17 2.34 -1.26 -4.94 118.68 121.11 2rm4 s LEU 93 Ca 0.19 -0.73 -0.15 0.00 0.06 0.00 0.00 54.13 53.49 2rm4 s LEU 93 Cb -0.14 -1.66 0.04 0.00 -0.56 0.00 0.00 46.19 43.87 2rm4 s LEU 93 CO 0.08 -0.11 1.23 -2.16 -1.06 0.00 0.00 176.35 174.33 2rm4 s PRO 94 N -3.72 2.13 -0.10 1.48 0.04 -1.26 -5.01 135.00 128.55 2rm4 s PRO 94 Ca 0.33 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 2rm4 s PRO 94 Cb -0.04 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2rm4 s PRO 94 CO 0.20 -1.86 -0.03 -1.01 0.04 0.00 0.00 177.00 174.34 2rm4 s HIS 95 N -1.87 3.05 0.32 0.56 3.76 -1.26 -5.01 115.29 114.85 2rm4 s HIS 95 Ca 0.76 0.02 0.01 0.00 -0.15 0.00 0.00 55.06 55.70 2rm4 s HIS 95 Cb -0.31 -1.81 0.57 0.00 1.11 0.00 0.00 32.58 32.14 2rm4 s HIS 95 CO 0.45 0.30 1.96 0.35 -0.85 0.00 0.00 174.74 176.94 2rm4 h PHE 96 N 5.58 0.94 -0.59 1.40 3.57 -2.02 -2.36 116.94 123.46 2rm4 h PHE 96 Ca -0.45 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.15 2rm4 h PHE 96 Cb 1.18 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 2rm4 h PHE 96 CO 0.58 0.54 0.39 0.77 -2.23 0.00 0.00 178.31 178.37 2rm4 h SER 97 N 0.97 0.44 -6.13 0.41 0.02 -2.04 -3.45 113.55 103.76 2rm4 h SER 97 Ca 0.32 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.84 2rm4 h SER 97 Cb 0.06 -0.09 0.03 0.00 0.14 0.00 0.00 62.40 62.54 2rm4 h SER 97 CO -0.10 0.27 -0.78 0.59 -1.14 0.00 0.00 176.83 175.68 2rm4 n ASN 98 N -4.48 -3.44 -4.42 3.07 3.02 -0.89 -4.99 115.26 103.14 2rm4 n ASN 98 Ca 0.09 -0.76 -0.22 0.00 -0.03 0.00 0.00 54.58 53.66 2rm4 n ASN 98 Cb 0.30 -4.15 -0.10 0.00 -0.61 0.00 0.00 39.78 35.21 2rm4 n ASN 98 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2rm4 s ILE 99 N -3.45 2.09 -0.19 2.41 -4.36 -1.26 -5.13 121.20 111.31 2rm4 s ILE 99 Ca 0.36 -2.29 -0.11 0.00 -0.26 0.00 0.00 60.65 58.35 2rm4 s ILE 99 Cb -0.18 -2.24 -0.05 0.00 1.25 0.00 0.00 42.46 41.24 2rm4 s ILE 99 CO 0.81 -0.45 0.18 -0.22 0.24 0.00 0.00 174.94 175.49 2rm4 s LEU 100 N -3.43 4.22 0.00 0.37 2.96 -1.26 -5.11 118.68 116.43 2rm4 s LEU 100 Ca 0.27 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 2rm4 s LEU 100 Cb -0.02 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.49 2rm4 s LEU 100 CO 0.12 0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.91