#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 1.58 0.23 4.61 0.00 -2.05 -2.84 119.26 120.79 2rm4 h ALA 0 Ca 0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.45 2rm4 h ALA 0 Cb 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 17.69 2rm4 h ALA 0 CO 0.00 0.32 -1.54 0.52 0.00 0.00 0.00 179.25 178.56 2rm4 h MET 1 N 0.43 0.50 -2.02 0.00 2.07 -2.07 -3.48 114.93 110.36 2rm4 h MET 1 Ca 0.10 -0.85 -0.04 0.00 -2.07 0.00 0.00 59.70 56.85 2rm4 h MET 1 Cb 0.16 0.32 -0.19 0.00 -1.87 0.00 0.00 31.60 30.01 2rm4 h MET 1 CO -0.00 1.40 0.24 0.20 1.07 0.00 0.00 176.91 179.82 2rm4 s GLY 2 N -4.72 -0.54 -1.01 8.32 0.00 -1.07 -5.07 107.32 103.22 2rm4 s GLY 2 Ca -0.10 1.34 -0.24 0.00 0.00 0.00 0.00 44.72 45.72 2rm4 s GLY 2 CO 0.92 0.90 2.02 2.56 0.00 0.00 0.00 173.10 179.51 2rm4 s PRO 3 N -1.38 2.25 0.00 2.90 0.04 -1.26 -4.49 135.00 133.06 2rm4 s PRO 3 Ca -0.09 -0.52 0.19 0.00 0.04 0.00 0.00 61.00 60.62 2rm4 s PRO 3 Cb -0.00 -5.08 0.52 0.00 0.04 0.00 0.00 34.50 29.97 2rm4 s PRO 3 CO 0.07 -3.98 1.43 0.25 0.04 0.00 0.00 177.00 174.81 2rm4 n THR 4 N 8.10 0.59 -2.67 1.26 -2.24 -1.26 -4.93 114.28 113.13 2rm4 n THR 4 Ca 0.43 -0.67 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 2rm4 n THR 4 Cb 0.46 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.20 7.45 0.00 3.42 1.01 -1.26 -4.81 116.67 121.27 2rm4 s ASP 5 Ca 0.36 2.01 0.19 0.00 0.71 0.00 0.00 52.55 55.83 2rm4 s ASP 5 Cb 0.19 -2.61 1.00 0.00 1.01 0.00 0.00 42.92 42.52 2rm4 s ASP 5 CO 0.26 0.00 1.58 0.00 0.21 0.00 0.00 175.17 177.23 2rm4 n GLN 6 N 1.16 0.34 0.23 8.23 6.02 -1.26 -2.88 117.38 129.22 2rm4 n GLN 6 Ca -0.01 0.08 0.09 0.00 -0.01 0.00 0.00 57.00 57.16 2rm4 n GLN 6 Cb 0.47 -1.50 0.54 0.00 1.02 0.00 0.00 30.24 30.77 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 1.11 1.08 3.32 -1.99 -2.84 116.42 117.11 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 0.22 0.00 0.79 -1.72 0.00 0.00 179.24 178.53 2rm4 n TRP 8 N -3.61 0.72 -1.68 4.55 5.03 -1.14 -4.85 117.44 116.46 2rm4 n TRP 8 Ca -0.01 0.23 -0.45 0.00 3.03 0.00 0.00 57.50 60.30 2rm4 n TRP 8 Cb 0.36 -0.88 -0.04 0.00 -1.03 0.00 0.00 31.31 29.72 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 0.21 -0.71 -0.99 2.08 -1.08 -0.06 119.36 116.70 2rm4 n ILE 9 Ca 0.05 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.30 2rm4 n ILE 9 Cb 0.34 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.65 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 3.19 0.98 3.86 7.39 0.00 0.30 -4.94 105.19 115.98 2rm4 n GLY 10 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.52 3.60 0.10 0.00 0.00 -1.02 -1.79 121.76 120.13 2rm4 s ALA 12 Ca 0.54 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.02 2rm4 s ALA 12 Cb -0.10 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2rm4 s ALA 12 CO 0.33 -0.78 -0.06 0.14 0.00 0.00 0.00 175.76 175.39 2rm4 s VAL 13 N 2.42 0.69 -0.02 0.00 -7.23 -1.05 -0.45 120.40 114.77 2rm4 s VAL 13 Ca 0.24 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.53 2rm4 s VAL 13 Cb -0.16 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 2rm4 s VAL 13 CO 0.09 -0.85 -0.19 -0.55 -0.31 0.00 0.00 175.10 173.29 2rm4 s SER 14 N -3.05 2.29 -0.17 4.85 0.15 -0.39 -2.66 113.70 114.72 2rm4 s SER 14 Ca 0.13 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.43 2rm4 s SER 14 Cb 0.05 -0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.07 2rm4 s SER 14 CO -0.04 0.23 -0.20 -0.63 1.20 0.00 0.00 173.24 173.80 2rm4 s ILE 15 N -0.39 2.14 -0.39 6.45 -1.09 -0.48 -2.08 121.20 125.36 2rm4 s ILE 15 Ca 0.06 -0.92 -0.15 0.00 -2.23 0.00 0.00 60.65 57.41 2rm4 s ILE 15 Cb -0.08 -1.89 0.01 0.00 -1.58 0.00 0.00 42.46 38.92 2rm4 s ILE 15 CO -0.00 0.54 0.30 0.00 -1.23 0.00 0.00 174.94 174.54 2rm4 s ALA 16 N 1.18 3.48 0.45 9.38 0.00 -0.60 -2.41 121.76 133.25 2rm4 s ALA 16 Ca 0.02 -1.62 0.03 0.00 0.00 0.00 0.00 51.96 50.39 2rm4 s ALA 16 Cb -0.14 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.14 2rm4 s ALA 16 CO -0.10 -1.34 0.65 0.00 0.00 0.00 0.00 175.76 174.97 2rm4 n ASP 18 N -2.05 -1.69 -0.15 0.00 8.00 -1.25 -4.27 116.55 115.15 2rm4 n ASP 18 Ca 0.04 -0.11 0.15 0.00 0.71 0.00 0.00 54.79 55.58 2rm4 n ASP 18 Cb 0.58 -1.24 0.51 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 -2.55 0.39 0.00 -1.24 5.08 -1.98 0.20 114.58 114.49 2rm4 h GLU 19 Ca -0.59 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.66 2rm4 h GLU 19 Cb 1.33 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2rm4 h GLU 19 CO 0.47 0.26 -0.39 0.28 -1.00 0.00 0.00 179.01 178.62 2rm4 h VAL 20 N 0.40 0.83 0.00 3.13 2.07 -2.02 -3.05 116.25 117.61 2rm4 h VAL 20 Ca 0.35 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2rm4 h VAL 20 Cb 0.80 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2rm4 h VAL 20 CO -0.11 0.39 -0.76 0.18 0.02 0.00 0.00 177.57 177.29 2rm4 n LEU 21 N -3.41 0.66 0.00 2.57 4.77 0.67 -5.06 117.00 117.20 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 0.57 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2rm4 n LEU 21 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2rm4 n GLY 22 N 1.35 0.43 3.04 -0.72 0.00 -0.91 -4.83 105.19 103.55 2rm4 n GLY 22 Ca 0.03 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 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 0.73 0.12 1.61 1.01 -1.26 -2.01 120.40 120.59 2rm4 s VAL 23 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2rm4 s VAL 23 Cb 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2rm4 s VAL 23 CO 0.00 0.12 -0.12 0.72 0.00 0.00 0.00 175.10 175.82 2rm4 s PHE 24 N -0.38 1.25 0.03 5.22 -0.12 -1.01 -2.37 117.98 120.59 2rm4 s PHE 24 Ca 0.02 -0.63 0.01 0.00 -0.05 0.00 0.00 56.93 56.29 2rm4 s PHE 24 Cb -0.04 -0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 41.67 2rm4 s PHE 24 CO -0.00 0.08 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.55 2rm4 s GLN 25 N -2.90 0.41 -0.04 1.99 -0.21 0.16 -1.38 119.66 117.69 2rm4 s GLN 25 Ca 0.09 -0.58 -0.31 0.00 0.02 0.00 0.00 55.36 54.58 2rm4 s GLN 25 Cb -0.03 -0.17 0.13 0.00 1.00 0.00 0.00 33.01 33.94 2rm4 s GLN 25 CO 0.02 0.02 1.31 0.20 -2.12 0.00 0.00 175.29 174.72 2rm4 s GLY 26 N -1.23 -0.42 -0.02 3.09 0.00 -1.09 -2.19 107.32 105.46 2rm4 s GLY 26 Ca -0.09 0.78 -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 4.40 0.29 0.66 1.43 -1.25 -2.53 118.68 118.74 2rm4 s LEU 27 Ca 0.14 1.09 -0.29 0.00 -1.03 0.00 0.00 54.13 54.04 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 0.11 1.40 -0.63 0.23 0.00 0.00 176.35 177.42 2rm4 s ILE 28 N -0.16 2.62 -0.08 -0.59 1.01 -0.74 -2.03 121.20 121.23 2rm4 s ILE 28 Ca 0.30 0.56 0.10 0.00 0.00 0.00 0.00 60.65 61.60 2rm4 s ILE 28 Cb -0.18 -3.36 -0.14 0.00 0.01 0.00 0.00 42.46 38.80 2rm4 s ILE 28 CO 0.16 0.11 0.09 1.17 0.00 0.00 0.00 174.94 176.47 2rm4 n LYS 29 N 1.67 1.78 -3.55 2.79 3.00 -0.31 0.11 118.16 123.66 2rm4 n LYS 29 Ca 0.04 -0.03 -0.17 0.00 -0.00 0.00 0.00 58.31 58.15 2rm4 n LYS 29 Cb 0.41 -1.26 -0.06 0.00 0.00 0.00 0.00 35.03 34.11 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 -2.39 1.00 -0.01 1.64 2.00 -1.03 -4.83 119.66 116.05 2rm4 s GLN 30 Ca -0.05 0.29 0.00 0.00 -2.00 0.00 0.00 55.36 53.61 2rm4 s GLN 30 Cb 0.04 0.47 0.01 0.00 0.80 0.00 0.00 33.01 34.33 2rm4 s GLN 30 CO 0.43 -0.30 -0.01 0.42 -0.50 0.00 0.00 175.29 175.33 2rm4 s ILE 31 N -1.05 0.13 0.07 -2.34 1.01 -1.26 -1.45 121.20 116.31 2rm4 s ILE 31 Ca -0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.44 2rm4 s ILE 31 Cb -0.01 -0.15 -0.00 0.00 0.01 0.00 0.00 42.46 42.31 2rm4 s ILE 31 CO 0.09 0.06 0.17 -0.94 0.00 0.00 0.00 174.94 174.32 2rm4 s SER 32 N 0.24 0.12 0.62 3.58 1.04 -0.80 -4.92 113.70 113.57 2rm4 s SER 32 Ca -0.02 -0.58 0.31 0.00 0.48 0.00 0.00 55.95 56.14 2rm4 s SER 32 Cb -0.04 0.31 1.73 0.00 0.10 0.00 0.00 66.02 68.12 2rm4 s SER 32 CO -0.01 -0.66 2.07 0.00 0.98 0.00 0.00 173.24 175.62 2rm4 h ALA 33 N 3.03 1.65 0.00 5.32 0.00 -1.97 -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 1.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2rm4 h ALA 33 CO 0.54 -0.32 -1.62 0.39 0.00 0.00 0.00 179.25 178.23 2rm4 n GLU 34 N -3.50 0.63 -3.55 0.00 1.02 -1.26 -4.89 120.64 109.10 2rm4 n GLU 34 Ca 0.01 0.16 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 2rm4 n GLU 34 Cb 0.35 -1.74 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.89 1.13 -0.05 3.49 -1.05 -0.55 -3.37 118.70 115.39 2rm4 s GLU 35 Ca -0.04 -0.49 0.04 0.00 -0.15 0.00 0.00 54.97 54.32 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 -0.16 0.42 0.95 0.00 0.00 175.26 176.84 2rm4 s ILE 36 N -3.39 2.88 -0.07 1.83 -1.09 -1.00 -1.91 121.20 118.44 2rm4 s ILE 36 Ca -0.00 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 2rm4 s ILE 36 Cb 0.00 -2.11 0.01 0.00 -1.58 0.00 0.00 42.46 38.78 2rm4 s ILE 36 CO -0.09 0.59 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.15 2rm4 s THR 37 N -0.64 1.42 0.26 2.92 2.01 -0.53 -2.48 115.64 118.61 2rm4 s THR 37 Ca 0.10 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.44 2rm4 s THR 37 Cb -0.11 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 2rm4 s THR 37 CO 0.01 0.42 0.09 0.27 -0.69 0.00 0.00 174.62 174.71 2rm4 s ILE 38 N 0.42 0.60 0.28 1.82 -4.36 -0.76 -1.16 121.20 118.04 2rm4 s ILE 38 Ca -0.13 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.34 2rm4 s ILE 38 Cb -0.15 -2.63 -0.06 0.00 1.25 0.00 0.00 42.46 40.87 2rm4 s ILE 38 CO 0.05 -0.02 -0.10 0.68 0.24 0.00 0.00 174.94 175.79 2rm4 s VAL 39 N -3.73 1.88 -0.84 8.37 -7.23 -0.86 -1.41 120.40 116.59 2rm4 s VAL 39 Ca 0.37 -2.19 -0.02 0.00 -1.81 0.00 0.00 61.98 58.33 2rm4 s VAL 39 Cb 0.08 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 2rm4 s VAL 39 CO 0.13 -0.34 0.76 0.54 -0.31 0.00 0.00 175.10 175.89 2rm4 n ARG 40 N -0.60 -1.59 -2.10 4.82 5.12 -1.09 -3.78 116.66 117.44 2rm4 n ARG 40 Ca -0.06 1.27 -0.42 0.00 -1.93 0.00 0.00 57.85 56.71 2rm4 n ARG 40 Cb 0.63 -5.66 -0.03 0.00 -1.16 0.00 0.00 32.46 26.24 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 -4.68 121.76 123.75 2rm4 s ALA 41 Ca 0.15 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.12 2rm4 s ALA 41 Cb -0.02 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 2rm4 s ALA 41 CO 0.75 -1.02 -0.13 -0.06 0.00 0.00 0.00 175.76 175.31 2rm4 s PHE 42 N 2.59 2.79 0.01 0.00 0.40 -0.93 -2.76 117.98 120.09 2rm4 s PHE 42 Ca 0.68 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 56.49 2rm4 s PHE 42 Cb -0.35 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.37 2rm4 s PHE 42 CO 0.29 -0.13 -0.07 0.50 0.70 0.00 0.00 175.22 176.51 2rm4 s ARG 43 N 0.12 0.55 -1.54 0.44 3.52 -0.56 -0.67 118.95 120.82 2rm4 s ARG 43 Ca -0.06 -0.41 -0.14 0.00 -0.13 0.00 0.00 55.73 54.98 2rm4 s ARG 43 Cb -0.15 -0.48 0.09 0.00 -1.56 0.00 0.00 34.95 32.85 2rm4 s ARG 43 CO 0.05 0.12 0.98 0.09 -0.81 0.00 0.00 175.30 175.73 2rm4 n ASN 44 N 2.45 -4.75 -1.61 -2.12 5.03 -1.00 -1.35 115.26 111.90 2rm4 n ASN 44 Ca -0.16 -0.79 -0.19 0.00 0.87 0.00 0.00 54.58 54.31 2rm4 n ASN 44 Cb 0.57 -3.85 -0.07 0.00 -1.02 0.00 0.00 39.78 35.41 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 -1.69 1.37 3.08 7.41 0.00 -1.26 -4.96 105.19 109.14 2rm4 n GLY 45 Ca 0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 0.27 1.61 1.01 -0.45 -5.14 120.40 115.04 2rm4 s VAL 46 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 2rm4 s VAL 46 Cb 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 2rm4 s VAL 46 CO 0.00 -0.50 1.18 -2.84 0.00 0.00 0.00 175.10 172.94 2rm4 s PRO 47 N -1.86 4.53 0.40 2.72 0.02 -1.26 -1.50 135.00 138.05 2rm4 s PRO 47 Ca -0.11 1.92 -0.23 0.00 0.02 0.00 0.00 61.00 62.60 2rm4 s PRO 47 Cb -0.06 -3.17 -0.10 0.00 0.02 0.00 0.00 34.50 31.19 2rm4 s PRO 47 CO -0.01 0.04 0.99 -0.51 -0.33 0.00 0.00 177.00 177.17 2rm4 s LEU 48 N -1.20 4.09 0.33 -5.54 1.43 -1.11 -4.86 118.68 111.81 2rm4 s LEU 48 Ca 0.48 1.85 0.04 0.00 -1.03 0.00 0.00 54.13 55.47 2rm4 s LEU 48 Cb -0.34 -4.30 0.65 0.00 0.03 0.00 0.00 46.19 42.23 2rm4 s LEU 48 CO 0.43 -0.37 1.91 -0.09 0.23 0.00 0.00 176.35 178.46 2rm4 h ARG 49 N 2.38 0.85 -4.02 1.70 9.65 -1.95 -3.20 114.38 119.79 2rm4 h ARG 49 Ca -0.48 -0.05 -0.78 0.00 -1.10 0.00 0.00 59.98 57.57 2rm4 h ARG 49 Cb 1.20 -0.19 -0.24 0.00 -1.39 0.00 0.00 29.97 29.35 2rm4 h ARG 49 CO 0.62 0.56 0.81 0.15 2.80 0.00 0.00 179.97 184.91 2rm4 s LYS 50 N -5.80 4.17 0.43 0.20 1.02 -1.26 -4.83 119.74 113.68 2rm4 s LYS 50 Ca -0.11 -2.99 0.10 0.00 0.02 0.00 0.00 55.97 52.99 2rm4 s LYS 50 Cb 0.20 -4.76 0.94 0.00 -0.52 0.00 0.00 37.83 33.70 2rm4 s LYS 50 CO 0.79 -1.44 2.04 1.96 -0.92 0.00 0.00 175.35 177.77 2rm4 h GLN 51 N 6.83 0.31 0.00 1.68 4.20 -1.88 -1.88 115.11 124.37 2rm4 h GLN 51 Ca 0.23 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2rm4 h GLN 51 Cb 0.87 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 2rm4 h GLN 51 CO 1.11 0.27 -0.09 -0.97 -0.67 0.00 0.00 178.83 178.48 2rm4 h ASN 52 N 0.31 0.00 -3.66 1.46 -1.24 -1.92 -2.88 115.58 107.65 2rm4 h ASN 52 Ca 0.08 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.58 2rm4 h ASN 52 Cb 0.09 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.16 2rm4 h ASN 52 CO -0.01 0.09 0.51 0.00 -1.29 0.00 0.00 177.43 176.73 2rm4 s ALA 53 N -3.62 3.41 0.25 1.57 0.00 -0.71 -4.74 121.76 117.93 2rm4 s ALA 53 Ca 0.01 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 2rm4 s ALA 53 Cb 0.09 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 2rm4 s ALA 53 CO 0.59 -0.26 0.61 -1.83 0.00 0.00 0.00 175.76 174.88 2rm4 s GLU 54 N -0.85 3.89 -0.25 0.00 -1.05 -1.26 -4.10 118.70 115.07 2rm4 s GLU 54 Ca 0.48 0.43 -0.10 0.00 -0.15 0.00 0.00 54.97 55.63 2rm4 s GLU 54 Cb -0.32 -2.60 -0.05 0.00 -0.44 0.00 0.00 34.13 30.72 2rm4 s GLU 54 CO 0.39 0.28 0.15 0.08 0.95 0.00 0.00 175.26 177.11 2rm4 s VAL 55 N -1.84 5.17 -0.23 1.83 1.01 -0.50 -4.96 120.40 120.88 2rm4 s VAL 55 Ca 0.49 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.60 2rm4 s VAL 55 Cb -0.11 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.89 2rm4 s VAL 55 CO 0.20 0.31 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 2rm4 s VAL 56 N 1.37 1.78 -0.02 2.92 1.01 -1.26 -1.84 120.40 124.36 2rm4 s VAL 56 Ca 0.07 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 60.82 2rm4 s VAL 56 Cb -0.15 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 2rm4 s VAL 56 CO 0.07 0.03 -0.14 -0.76 0.00 0.00 0.00 175.10 174.30 2rm4 s LEU 57 N 1.30 1.95 0.32 3.92 1.43 -1.04 -4.97 118.68 121.60 2rm4 s LEU 57 Ca -0.05 -0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 52.50 2rm4 s LEU 57 Cb -0.18 -0.78 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 2rm4 s LEU 57 CO -0.07 0.15 1.08 -0.54 0.23 0.00 0.00 176.35 177.20 2rm4 s LYS 58 N -0.13 4.46 0.48 1.70 1.02 -1.26 -2.38 119.74 123.63 2rm4 s LYS 58 Ca 0.01 1.69 0.20 0.00 0.02 0.00 0.00 55.97 57.90 2rm4 s LYS 58 Cb -0.08 -2.95 1.23 0.00 -0.52 0.00 0.00 37.83 35.51 2rm4 s LYS 58 CO 0.00 0.08 1.97 0.00 -0.92 0.00 0.00 175.35 176.49 2rm4 h THR 60 N 0.20 0.79 0.00 0.00 1.35 -1.91 -1.89 112.91 111.45 2rm4 h THR 60 Ca 0.29 -0.57 -0.06 0.00 -0.55 0.00 0.00 66.41 65.52 2rm4 h THR 60 Cb 0.88 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 2rm4 h THR 60 CO -0.05 0.14 -1.08 0.44 -0.25 0.00 0.00 175.52 174.72 2rm4 h ASP 61 N 0.00 0.00 -3.81 5.36 3.32 -1.58 -3.46 116.42 116.24 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 39.86 2rm4 h ASP 61 CO 0.02 0.22 0.31 -0.63 -1.72 0.00 0.00 179.24 177.44 2rm4 s ILE 62 N -3.19 4.25 -0.21 0.35 1.01 -0.71 -3.92 121.20 118.77 2rm4 s ILE 62 Ca -0.01 1.78 0.13 0.00 0.00 0.00 0.00 60.65 62.55 2rm4 s ILE 62 Cb 0.09 -4.03 -0.22 0.00 0.01 0.00 0.00 42.46 38.31 2rm4 s ILE 62 CO 0.79 0.20 -0.02 -1.14 0.00 0.00 0.00 174.94 174.77 2rm4 n ARG 63 N 0.72 0.72 -3.50 2.79 3.00 -0.57 -4.93 116.66 114.89 2rm4 n ARG 63 Ca 0.01 0.04 -0.16 0.00 -0.00 0.00 0.00 57.85 57.73 2rm4 n ARG 63 Cb 0.50 -1.51 -0.05 0.00 0.00 0.00 0.00 32.46 31.40 2rm4 n ARG 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rm4 s SER 64 N -5.75 -0.63 0.02 6.15 0.15 -1.07 -5.05 113.70 107.52 2rm4 s SER 64 Ca -0.17 0.54 0.01 0.00 0.70 0.00 0.00 55.95 57.02 2rm4 s SER 64 Cb 0.07 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 2rm4 s SER 64 CO 0.75 -0.70 -0.03 -0.63 1.20 0.00 0.00 173.24 173.83 2rm4 s ILE 65 N -1.83 0.20 -0.02 6.45 1.01 -1.26 -1.56 121.20 124.19 2rm4 s ILE 65 Ca -0.08 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2rm4 s ILE 65 Cb -0.00 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.21 2rm4 s ILE 65 CO 0.04 -0.27 -0.01 1.51 0.00 0.00 0.00 174.94 176.22 2rm4 s ASP 66 N -0.93 0.32 -0.36 3.58 1.47 -0.88 -5.01 116.67 114.86 2rm4 s ASP 66 Ca -0.08 -0.03 -0.29 0.00 1.18 0.00 0.00 52.55 53.33 2rm4 s ASP 66 Cb -0.06 -0.13 0.01 0.00 -0.34 0.00 0.00 42.92 42.40 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 0.61 3.81 -0.04 2.11 1.43 -1.26 -1.26 118.68 124.08 2rm4 s LEU 67 Ca -0.06 0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 53.77 2rm4 s LEU 67 Cb -0.09 -3.54 -0.25 0.00 0.03 0.00 0.00 46.19 42.34 2rm4 s LEU 67 CO -0.01 -1.10 1.02 0.40 0.23 0.00 0.00 176.35 176.89 2rm4 h ILE 68 N 6.01 1.52 -2.98 -0.59 2.04 -1.09 -3.43 117.51 118.99 2rm4 h ILE 68 Ca -0.24 -2.10 -0.53 0.00 1.00 0.00 0.00 64.86 62.99 2rm4 h ILE 68 Cb 1.08 2.81 -0.40 0.00 -0.74 0.00 0.00 36.82 39.56 2rm4 h ILE 68 CO 1.06 0.59 -0.77 -1.61 0.00 0.00 0.00 178.15 177.42 2rm4 s GLU 69 N -3.00 0.37 0.38 2.37 2.02 -0.87 -4.99 118.70 114.97 2rm4 s GLU 69 Ca -0.15 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.29 2rm4 s GLU 69 Cb 0.02 -1.58 0.75 0.00 0.10 0.00 0.00 34.13 33.42 2rm4 s GLU 69 CO 0.78 -0.92 1.99 -1.00 0.02 0.00 0.00 175.26 176.13 2rm4 h PRO 70 N 8.30 0.56 0.00 0.39 0.13 -1.84 -2.69 132.00 136.85 2rm4 h PRO 70 Ca -0.17 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2rm4 h PRO 70 Cb 1.04 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2rm4 h PRO 70 CO 0.42 0.44 0.00 0.00 -0.23 0.00 0.00 178.00 178.63 2rm4 n ALA 71 N -2.47 0.00 -0.11 -0.56 0.00 -1.26 -3.46 120.51 112.65 2rm4 n ALA 71 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.57 2rm4 n ALA 71 Cb 0.12 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.01 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 0.52 -5.67 0.00 3.64 -1.94 -3.39 116.57 109.72 2rm4 h LYS 72 Ca 0.00 -0.03 -0.60 0.00 -1.27 0.00 0.00 60.65 58.75 2rm4 h LYS 72 Cb 0.00 -0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 31.60 2rm4 h LYS 72 CO 0.00 0.34 0.33 -1.14 -2.27 0.00 0.00 179.45 176.72 2rm4 s GLN 73 N -5.49 4.13 0.23 1.90 0.74 -1.22 -5.01 119.66 114.93 2rm4 s GLN 73 Ca -0.08 0.74 -0.22 0.00 0.05 0.00 0.00 55.36 55.84 2rm4 s GLN 73 Cb 0.19 -3.66 0.04 0.00 1.10 0.00 0.00 33.01 30.68 2rm4 s GLN 73 CO 0.76 -0.49 0.82 0.16 -0.55 0.00 0.00 175.29 175.98 2rm4 s ASP 74 N 1.43 -0.22 -0.27 6.67 1.47 -1.26 -4.86 116.67 119.63 2rm4 s ASP 74 Ca 0.31 -0.55 -0.10 0.00 1.18 0.00 0.00 52.55 53.39 2rm4 s ASP 74 Cb -0.15 0.64 -0.05 0.00 -0.34 0.00 0.00 42.92 43.02 2rm4 s ASP 74 CO 0.08 -1.18 0.17 -0.22 0.68 0.00 0.00 175.17 174.70 2rm4 s LEU 75 N -2.94 3.92 0.09 2.11 2.96 -1.26 -4.98 118.68 118.58 2rm4 s LEU 75 Ca 0.12 -0.04 -0.18 0.00 -0.22 0.00 0.00 54.13 53.81 2rm4 s LEU 75 Cb -0.04 -2.09 -0.08 0.00 0.50 0.00 0.00 46.19 44.48 2rm4 s LEU 75 CO 0.05 -0.04 1.51 -0.78 -1.32 0.00 0.00 176.35 175.77 2rm4 h ASP 76 N 8.31 0.46 -5.41 3.68 3.58 -2.01 -3.45 116.42 121.58 2rm4 h ASP 76 Ca -0.36 -0.33 -0.28 0.00 0.42 0.00 0.00 57.03 56.48 2rm4 h ASP 76 Cb 1.19 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 42.12 2rm4 h ASP 76 CO 0.56 0.68 -0.05 0.61 -2.88 0.00 0.00 179.24 178.16 2rm4 n GLY 77 N -0.27 2.06 3.09 -0.78 0.00 -1.26 -5.11 105.19 102.92 2rm4 n GLY 77 Ca -0.03 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.13 2.71 0.04 1.61 3.76 -1.26 -5.11 115.29 115.91 2rm4 s HIS 78 Ca 0.33 -1.65 -0.08 0.00 -0.15 0.00 0.00 55.06 53.51 2rm4 s HIS 78 Cb -0.03 -1.85 -0.00 0.00 1.11 0.00 0.00 32.58 31.81 2rm4 s HIS 78 CO 0.21 -0.79 0.16 -0.08 -0.85 0.00 0.00 174.74 173.39 2rm4 s THR 79 N 1.31 0.12 0.09 1.30 -1.32 -1.26 -5.13 115.64 110.75 2rm4 s THR 79 Ca 0.03 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 2rm4 s THR 79 Cb -0.14 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 2rm4 s THR 79 CO -0.12 -0.53 0.00 0.00 -2.21 0.00 0.00 174.62 171.76 2rm4 n ALA 80 N 0.69 -1.38 -1.76 11.08 0.00 -1.26 -4.58 120.51 123.29 2rm4 n ALA 80 Ca -0.19 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 2rm4 n ALA 80 Cb 0.59 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 2rm4 n ALA 80 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2rm4 n PRO 81 N -1.90 2.69 -1.93 0.00 -0.02 -1.26 -4.95 135.00 127.63 2rm4 n PRO 81 Ca 0.00 0.95 -0.34 0.00 -2.02 0.00 0.00 63.50 62.09 2rm4 n PRO 81 Cb 0.18 -2.70 0.04 0.00 -0.02 0.00 0.00 33.50 30.99 2rm4 n PRO 81 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2rm4 s PRO 82 N -1.39 2.93 0.48 0.52 0.04 -1.26 -4.96 135.00 131.36 2rm4 s PRO 82 Ca 0.58 1.58 -0.24 0.00 0.04 0.00 0.00 61.00 62.96 2rm4 s PRO 82 Cb -0.48 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 2rm4 s PRO 82 CO 0.57 -1.18 1.40 -1.25 0.04 0.00 0.00 177.00 176.58 2rm4 s PRO 83 N -3.67 3.53 0.17 0.56 0.04 -1.26 -5.02 135.00 129.33 2rm4 s PRO 83 Ca 0.72 2.35 0.06 0.00 0.04 0.00 0.00 61.00 64.16 2rm4 s PRO 83 Cb -0.24 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 2rm4 s PRO 83 CO 0.36 -0.92 -0.12 0.14 0.04 0.00 0.00 177.00 176.49 2rm4 s VAL 84 N -1.24 1.42 0.22 -0.36 -7.23 -1.26 -5.16 120.40 106.78 2rm4 s VAL 84 Ca 0.64 -2.09 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 2rm4 s VAL 84 Cb -0.42 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 2rm4 s VAL 84 CO 0.53 -0.65 -0.08 0.68 -0.31 0.00 0.00 175.10 175.27 2rm4 s VAL 85 N -3.07 1.45 -0.29 1.32 -7.23 -1.26 -5.11 120.40 106.22 2rm4 s VAL 85 Ca 0.18 -2.12 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 2rm4 s VAL 85 Cb 0.00 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.78 2rm4 s VAL 85 CO 0.03 -0.49 1.11 0.21 -0.31 0.00 0.00 175.10 175.65 2rm4 s ASN 86 N -3.32 6.94 0.34 4.85 2.47 -1.26 -5.02 114.94 119.95 2rm4 s ASN 86 Ca 0.24 1.19 0.04 0.00 0.42 0.00 0.00 52.86 54.75 2rm4 s ASN 86 Cb 0.02 -2.54 -0.07 0.00 -1.45 0.00 0.00 41.25 37.22 2rm4 s ASN 86 CO 0.07 -0.85 0.05 -1.59 -3.72 0.00 0.00 177.10 171.06 2rm4 s LYS 87 N 3.61 1.72 0.58 0.43 -2.85 -1.26 -5.12 119.74 116.85 2rm4 s LYS 87 Ca 0.47 -1.96 -0.20 0.00 -1.00 0.00 0.00 55.97 53.28 2rm4 s LYS 87 Cb -0.14 -1.02 -0.04 0.00 -2.06 0.00 0.00 37.83 34.57 2rm4 s LYS 87 CO 0.14 -0.16 1.24 -2.30 0.10 0.00 0.00 175.35 174.37 2rm4 n PRO 88 N -0.75 1.35 -2.18 1.78 -0.02 -1.26 -4.93 135.00 128.99 2rm4 n PRO 88 Ca -0.03 0.51 -0.40 0.00 -2.02 0.00 0.00 63.50 61.56 2rm4 n PRO 88 Cb 0.67 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 2rm4 n PRO 88 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2rm4 s THR 89 N -1.36 2.88 0.53 3.45 2.01 -1.26 -4.90 115.64 117.00 2rm4 s THR 89 Ca 0.75 0.83 0.20 0.00 0.31 0.00 0.00 61.69 63.79 2rm4 s THR 89 Cb -0.41 -3.51 0.29 0.00 0.01 0.00 0.00 72.50 68.88 2rm4 s THR 89 CO 0.46 0.16 2.17 -0.65 -0.69 0.00 0.00 174.62 176.07 2rm4 h PRO 90 N 3.10 0.00 -5.03 4.92 0.11 -2.08 -3.42 132.00 129.60 2rm4 h PRO 90 Ca -0.49 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.23 2rm4 h PRO 90 Cb 1.23 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.10 2rm4 h PRO 90 CO 0.64 0.01 -0.78 0.54 -0.21 0.00 0.00 178.00 178.21 2rm4 s VAL 91 N -4.90 0.90 0.17 3.15 0.11 -1.26 -5.13 120.40 113.43 2rm4 s VAL 91 Ca -0.05 -0.91 -0.28 0.00 -2.93 0.00 0.00 61.98 57.81 2rm4 s VAL 91 Cb 0.16 -0.84 -0.08 0.00 -1.53 0.00 0.00 36.38 34.10 2rm4 s VAL 91 CO 0.63 -0.06 0.88 -0.54 -3.33 0.00 0.00 175.10 172.69 2rm4 s LYS 92 N -1.09 4.71 0.28 1.54 1.02 -1.26 -5.06 119.74 119.87 2rm4 s LYS 92 Ca -0.01 1.35 0.04 0.00 0.02 0.00 0.00 55.97 57.37 2rm4 s LYS 92 Cb -0.07 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2rm4 s LYS 92 CO 0.01 0.44 0.42 -0.51 -0.92 0.00 0.00 175.35 174.78 2rm4 s LEU 93 N -0.78 4.20 0.74 3.17 1.02 -1.26 -5.07 118.68 120.70 2rm4 s LEU 93 Ca 0.41 0.10 -0.15 0.00 0.02 0.00 0.00 54.13 54.51 2rm4 s LEU 93 Cb -0.24 -2.93 0.04 0.00 0.02 0.00 0.00 46.19 43.09 2rm4 s LEU 93 CO 0.29 -0.18 1.22 -2.16 0.02 0.00 0.00 176.35 175.55 2rm4 s PRO 94 N -4.08 2.04 0.51 1.29 0.04 -1.26 -5.04 135.00 128.50 2rm4 s PRO 94 Ca 0.37 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.25 2rm4 s PRO 94 Cb -0.09 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 2rm4 s PRO 94 CO 0.31 -1.92 0.13 -1.01 0.04 0.00 0.00 177.00 174.55 2rm4 s HIS 95 N -1.94 1.90 0.51 0.56 3.76 -1.26 -4.98 115.29 113.83 2rm4 s HIS 95 Ca 0.75 -0.88 0.16 0.00 -0.15 0.00 0.00 55.06 54.95 2rm4 s HIS 95 Cb -0.30 -1.73 1.24 0.00 1.11 0.00 0.00 32.58 32.89 2rm4 s HIS 95 CO 0.46 0.04 2.11 0.27 -0.85 0.00 0.00 174.74 176.78 2rm4 h PHE 96 N 1.21 0.07 0.00 1.40 -5.15 -1.93 0.91 116.94 113.45 2rm4 h PHE 96 Ca -0.42 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.33 2rm4 h PHE 96 Cb 1.30 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 37.45 2rm4 h PHE 96 CO 1.26 0.04 -0.10 0.66 -2.00 0.00 0.00 178.31 178.17 2rm4 h SER 97 N 0.07 0.00 -3.63 -0.68 4.64 -1.95 -3.42 113.55 108.58 2rm4 h SER 97 Ca 0.06 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.87 2rm4 h SER 97 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2rm4 h SER 97 CO -0.01 0.10 0.33 0.21 -0.87 0.00 0.00 176.83 176.59 2rm4 s ASN 98 N -6.55 7.53 0.33 4.97 3.84 0.31 -4.95 114.94 120.42 2rm4 s ASN 98 Ca -0.04 1.82 0.01 0.00 0.21 0.00 0.00 52.86 54.87 2rm4 s ASN 98 Cb 0.15 -2.58 0.56 0.00 -0.55 0.00 0.00 41.25 38.83 2rm4 s ASN 98 CO 0.62 0.06 1.96 0.40 -2.79 0.00 0.00 177.10 177.35 2rm4 h ILE 99 N 3.61 1.18 -2.97 -5.21 2.04 -1.84 -3.42 117.51 110.92 2rm4 h ILE 99 Ca -0.44 -0.46 -0.62 0.00 1.00 0.00 0.00 64.86 64.35 2rm4 h ILE 99 Cb 1.21 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2rm4 h ILE 99 CO 0.70 0.20 -0.27 -0.76 0.00 0.00 0.00 178.15 178.02 2rm4 s LEU 100 N -9.61 4.43 0.00 1.44 1.43 -1.26 -5.14 118.68 109.97 2rm4 s LEU 100 Ca -0.10 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 2rm4 s LEU 100 Cb 0.17 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2rm4 s LEU 100 CO 0.77 0.30 0.00 0.61 0.23 0.00 0.00 176.35 178.26