#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 -0.07 0.07 4.61 0.00 -1.26 -5.05 121.76 120.06 2rm4 s ALA 0 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2rm4 s ALA 0 Cb 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 23.12 23.08 2rm4 s ALA 0 CO 0.00 -0.29 1.12 0.52 0.00 0.00 0.00 175.76 177.11 2rm4 h MET 1 N 3.83 0.19 -2.87 0.00 2.86 -2.04 -3.49 114.93 113.41 2rm4 h MET 1 Ca -0.32 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 56.99 2rm4 h MET 1 Cb 1.19 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.97 2rm4 h MET 1 CO 0.48 1.12 0.00 0.41 1.06 0.00 0.00 176.91 179.99 2rm4 n GLY 2 N 1.51 -0.87 3.75 8.32 0.00 -1.26 -4.97 105.19 111.67 2rm4 n GLY 2 Ca -0.08 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2rm4 n GLY 2 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2rm4 s PRO 3 N -0.88 4.14 0.00 1.61 0.02 -1.26 -4.90 135.00 133.73 2rm4 s PRO 3 Ca 0.00 2.54 0.11 0.00 0.02 0.00 0.00 61.00 63.67 2rm4 s PRO 3 Cb 0.00 -3.03 0.18 0.00 0.02 0.00 0.00 34.50 31.67 2rm4 s PRO 3 CO 0.00 -0.59 1.03 0.25 -0.33 0.00 0.00 177.00 177.35 2rm4 n THR 4 N 2.10 0.00 -2.52 0.99 -2.24 -1.26 -5.08 114.28 106.28 2rm4 n THR 4 Ca 0.08 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 2rm4 n THR 4 Cb 0.38 0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.33 6.47 0.00 3.42 1.01 -1.26 -4.53 116.67 120.44 2rm4 s ASP 5 Ca 0.14 1.78 0.12 0.00 0.71 0.00 0.00 52.55 55.30 2rm4 s ASP 5 Cb 0.16 -2.54 0.51 0.00 1.01 0.00 0.00 42.92 42.07 2rm4 s ASP 5 CO -0.07 -0.69 1.35 0.00 0.21 0.00 0.00 175.17 175.97 2rm4 n GLN 6 N -1.14 0.03 0.24 8.23 6.02 -1.26 -1.98 117.38 127.51 2rm4 n GLN 6 Ca 0.08 0.28 0.10 0.00 -0.01 0.00 0.00 57.00 57.45 2rm4 n GLN 6 Cb 0.53 -1.50 0.58 0.00 1.02 0.00 0.00 30.24 30.87 2rm4 n GLN 6 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2rm4 h ASP 7 N 0.00 0.00 1.14 1.08 1.82 -2.00 -2.89 116.42 115.57 2rm4 h ASP 7 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2rm4 h ASP 7 Cb 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2rm4 h ASP 7 CO 0.00 0.20 0.00 0.79 -1.61 0.00 0.00 179.24 178.62 2rm4 n TRP 8 N -3.63 0.71 -1.68 0.28 5.03 -0.84 -4.89 117.44 112.42 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 0.33 -0.87 -0.03 0.00 -1.03 0.00 0.00 31.31 29.71 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 0.61 -0.70 -0.99 2.08 -1.10 -0.58 119.36 116.58 2rm4 n ILE 9 Ca 0.05 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.20 2rm4 n ILE 9 Cb 0.35 -1.59 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 2.64 0.99 3.87 7.39 0.00 0.29 -4.95 105.19 115.42 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 -2.51 3.61 0.09 0.00 0.00 -1.05 -1.92 121.76 119.98 2rm4 s ALA 12 Ca 0.54 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2rm4 s ALA 12 Cb -0.10 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2rm4 s ALA 12 CO 0.33 -0.83 -0.05 0.14 0.00 0.00 0.00 175.76 175.35 2rm4 s VAL 13 N 2.55 0.54 0.01 0.00 -7.23 -1.05 -0.74 120.40 114.47 2rm4 s VAL 13 Ca 0.27 -1.90 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 2rm4 s VAL 13 Cb -0.15 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 2rm4 s VAL 13 CO 0.08 -0.87 -0.16 -0.55 -0.31 0.00 0.00 175.10 173.29 2rm4 s SER 14 N -3.02 1.92 -0.17 4.85 0.15 -0.53 -2.55 113.70 114.36 2rm4 s SER 14 Ca 0.12 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.41 2rm4 s SER 14 Cb 0.06 -0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 2rm4 s SER 14 CO -0.06 0.15 -0.20 -0.63 1.20 0.00 0.00 173.24 173.70 2rm4 s ILE 15 N -0.55 2.07 -0.40 6.45 -1.09 -0.41 -1.74 121.20 125.52 2rm4 s ILE 15 Ca 0.05 -0.95 -0.16 0.00 -2.23 0.00 0.00 60.65 57.37 2rm4 s ILE 15 Cb -0.07 -1.86 0.02 0.00 -1.58 0.00 0.00 42.46 38.97 2rm4 s ILE 15 CO 0.00 0.54 0.34 0.00 -1.23 0.00 0.00 174.94 174.60 2rm4 s ALA 16 N 1.20 3.47 0.43 9.38 0.00 -0.88 -2.53 121.76 132.83 2rm4 s ALA 16 Ca 0.03 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.44 2rm4 s ALA 16 Cb -0.13 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2rm4 s ALA 16 CO -0.11 -1.44 0.61 0.00 0.00 0.00 0.00 175.76 174.83 2rm4 n ASP 18 N -1.96 -2.11 -0.17 0.00 8.00 -1.24 -4.28 116.55 114.80 2rm4 n ASP 18 Ca 0.03 -0.24 0.14 0.00 0.71 0.00 0.00 54.79 55.43 2rm4 n ASP 18 Cb 0.58 -1.19 0.49 0.00 -0.02 0.00 0.00 41.12 40.98 2rm4 n ASP 18 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2rm4 h GLU 19 N -2.74 0.44 0.00 -1.24 5.08 -1.97 0.11 114.58 114.26 2rm4 h GLU 19 Ca -0.62 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 57.63 2rm4 h GLU 19 Cb 1.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2rm4 h GLU 19 CO 0.47 0.29 -0.40 0.28 -1.00 0.00 0.00 179.01 178.66 2rm4 h VAL 20 N 0.45 0.82 0.00 3.13 2.07 -2.01 -3.12 116.25 117.60 2rm4 h VAL 20 Ca 0.37 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2rm4 h VAL 20 Cb 0.79 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2rm4 h VAL 20 CO -0.12 0.39 -0.82 0.18 0.02 0.00 0.00 177.57 177.22 2rm4 n LEU 21 N -3.40 0.66 0.00 2.57 4.77 0.36 -5.06 117.00 116.90 2rm4 n LEU 21 Ca 0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2rm4 n LEU 21 Cb 0.57 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2rm4 n LEU 21 CO 0.37 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2rm4 n GLY 22 N 1.35 0.46 3.01 -0.72 0.00 -0.98 -4.84 105.19 103.47 2rm4 n GLY 22 Ca 0.03 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 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 0.62 0.11 1.61 1.01 -1.26 -2.14 120.40 120.35 2rm4 s VAL 23 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2rm4 s VAL 23 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2rm4 s VAL 23 CO 0.00 0.15 -0.12 0.72 0.00 0.00 0.00 175.10 175.85 2rm4 s PHE 24 N -0.25 1.20 0.02 5.22 -0.12 -1.05 -2.53 117.98 120.47 2rm4 s PHE 24 Ca 0.02 -0.62 0.02 0.00 -0.05 0.00 0.00 56.93 56.30 2rm4 s PHE 24 Cb -0.03 -0.64 -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 0.00 175.22 174.52 2rm4 s GLN 25 N -2.76 0.42 -0.04 1.99 -0.21 0.24 -1.29 119.66 118.01 2rm4 s GLN 25 Ca 0.07 -0.51 -0.31 0.00 0.02 0.00 0.00 55.36 54.63 2rm4 s GLN 25 Cb -0.04 -0.24 0.13 0.00 1.00 0.00 0.00 33.01 33.86 2rm4 s GLN 25 CO 0.01 0.05 1.32 0.20 -2.12 0.00 0.00 175.29 174.75 2rm4 s GLY 26 N -1.01 -0.43 -0.03 3.09 0.00 -1.06 -2.26 107.32 105.63 2rm4 s GLY 26 Ca -0.07 0.79 -0.20 0.00 0.00 0.00 0.00 44.72 45.24 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 4.39 0.28 0.66 1.43 -1.24 -2.54 118.68 118.71 2rm4 s LEU 27 Ca 0.14 1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 54.03 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 0.09 1.36 -0.63 0.23 0.00 0.00 176.35 177.36 2rm4 s ILE 28 N -0.07 2.78 -0.11 -0.59 1.01 -0.81 -1.79 121.20 121.61 2rm4 s ILE 28 Ca 0.30 0.70 0.11 0.00 0.00 0.00 0.00 60.65 61.76 2rm4 s ILE 28 Cb -0.17 -3.45 -0.16 0.00 0.01 0.00 0.00 42.46 38.69 2rm4 s ILE 28 CO 0.16 0.14 0.07 1.17 0.00 0.00 0.00 174.94 176.47 2rm4 n LYS 29 N 1.70 1.83 -3.59 2.79 4.81 -0.34 0.11 118.16 125.47 2rm4 n LYS 29 Ca 0.04 -0.02 -0.16 0.00 -0.87 0.00 0.00 58.31 57.30 2rm4 n LYS 29 Cb 0.41 -1.32 -0.07 0.00 0.02 0.00 0.00 35.03 34.08 2rm4 n LYS 29 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2rm4 s GLN 30 N -2.36 0.93 -0.01 1.64 0.74 -1.08 -4.79 119.66 114.73 2rm4 s GLN 30 Ca -0.06 0.40 0.01 0.00 0.05 0.00 0.00 55.36 55.76 2rm4 s GLN 30 Cb 0.04 0.44 0.01 0.00 1.10 0.00 0.00 33.01 34.60 2rm4 s GLN 30 CO 0.51 -0.24 -0.02 0.42 -0.55 0.00 0.00 175.29 175.41 2rm4 s ILE 31 N -0.75 0.17 0.07 -2.34 1.01 -1.26 -1.50 121.20 116.60 2rm4 s ILE 31 Ca -0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 2rm4 s ILE 31 Cb -0.02 -0.19 -0.00 0.00 0.01 0.00 0.00 42.46 42.26 2rm4 s ILE 31 CO 0.07 0.08 0.17 -0.94 0.00 0.00 0.00 174.94 174.31 2rm4 s SER 32 N 0.26 0.13 0.61 3.58 1.04 -0.76 -4.82 113.70 113.74 2rm4 s SER 32 Ca -0.02 -0.61 0.31 0.00 0.48 0.00 0.00 55.95 56.10 2rm4 s SER 32 Cb -0.05 0.31 1.69 0.00 0.10 0.00 0.00 66.02 68.08 2rm4 s SER 32 CO -0.01 -0.67 2.05 0.00 0.98 0.00 0.00 173.24 175.60 2rm4 h ALA 33 N 2.99 1.70 0.00 5.32 0.00 -2.00 -1.43 119.26 125.83 2rm4 h ALA 33 Ca -0.33 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 2rm4 h ALA 33 Cb 1.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2rm4 h ALA 33 CO 0.55 -0.35 -1.60 0.39 0.00 0.00 0.00 179.25 178.23 2rm4 n GLU 34 N -3.53 0.63 -3.57 0.00 1.02 -1.26 -4.84 120.64 109.09 2rm4 n GLU 34 Ca 0.02 0.14 -0.14 0.00 -0.02 0.00 0.00 57.16 57.16 2rm4 n GLU 34 Cb 0.38 -1.73 -0.05 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 -2.95 1.04 -0.05 3.49 -1.05 -0.54 -3.27 118.70 115.37 2rm4 s GLU 35 Ca -0.04 -0.25 0.04 0.00 -0.15 0.00 0.00 54.97 54.56 2rm4 s GLU 35 Cb 0.09 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.23 2rm4 s GLU 35 CO 0.82 -0.38 -0.16 0.42 0.95 0.00 0.00 175.26 176.91 2rm4 s ILE 36 N -2.52 2.87 -0.07 1.83 -1.09 -0.94 -1.83 121.20 119.45 2rm4 s ILE 36 Ca -0.05 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.61 2rm4 s ILE 36 Cb -0.01 -2.11 0.01 0.00 -1.58 0.00 0.00 42.46 38.77 2rm4 s ILE 36 CO -0.02 0.58 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.22 2rm4 s THR 37 N -0.59 1.42 0.29 2.92 2.01 -0.56 -2.44 115.64 118.69 2rm4 s THR 37 Ca 0.09 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.44 2rm4 s THR 37 Cb -0.11 -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 0.13 0.27 -0.69 0.00 0.00 174.62 174.75 2rm4 s ILE 38 N 0.43 0.46 0.27 1.82 -4.36 -0.75 -1.20 121.20 117.86 2rm4 s ILE 38 Ca -0.13 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.33 2rm4 s ILE 38 Cb -0.15 -2.57 -0.06 0.00 1.25 0.00 0.00 42.46 40.94 2rm4 s ILE 38 CO 0.05 0.00 -0.08 0.68 0.24 0.00 0.00 174.94 175.82 2rm4 s VAL 39 N -3.66 1.72 -0.85 8.37 -7.23 -0.74 -1.36 120.40 116.66 2rm4 s VAL 39 Ca 0.36 -2.16 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 2rm4 s VAL 39 Cb 0.06 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 2rm4 s VAL 39 CO 0.15 -0.35 0.74 0.54 -0.31 0.00 0.00 175.10 175.87 2rm4 n ARG 40 N -0.56 -1.50 -1.98 4.82 1.74 -0.96 -3.68 116.66 114.54 2rm4 n ARG 40 Ca -0.06 1.17 -0.42 0.00 -0.77 0.00 0.00 57.85 57.77 2rm4 n ARG 40 Cb 0.63 -5.12 -0.03 0.00 -1.02 0.00 0.00 32.46 26.92 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 -3.12 3.64 -0.15 7.54 0.00 -1.26 -4.68 121.76 123.74 2rm4 s ALA 41 Ca 0.13 1.07 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 2rm4 s ALA 41 Cb -0.03 -3.71 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 2rm4 s ALA 41 CO 0.78 -1.23 -0.11 -0.06 0.00 0.00 0.00 175.76 175.14 2rm4 s PHE 42 N 3.27 2.84 0.03 0.00 0.40 -0.96 -2.95 117.98 120.61 2rm4 s PHE 42 Ca 0.73 -0.75 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 2rm4 s PHE 42 Cb -0.36 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.25 2rm4 s PHE 42 CO 0.31 -0.31 -0.08 1.03 0.70 0.00 0.00 175.22 176.87 2rm4 s ARG 43 N 0.63 0.57 -1.54 0.44 0.52 -0.80 -0.59 118.95 118.18 2rm4 s ARG 43 Ca -0.06 -0.58 -0.14 0.00 -0.52 0.00 0.00 55.73 54.43 2rm4 s ARG 43 Cb -0.15 -0.46 0.09 0.00 0.52 0.00 0.00 34.95 34.95 2rm4 s ARG 43 CO 0.03 0.11 0.97 0.09 0.02 0.00 0.00 175.30 176.52 2rm4 n ASN 44 N 2.02 -4.70 -1.62 0.23 5.03 -1.05 -1.62 115.26 113.55 2rm4 n ASN 44 Ca -0.19 -0.79 -0.19 0.00 0.87 0.00 0.00 54.58 54.28 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 -1.68 1.34 3.04 7.41 0.00 -1.26 -4.97 105.19 109.07 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 0.10 0.28 1.61 1.01 -0.64 -5.14 120.40 114.85 2rm4 s VAL 46 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 2rm4 s VAL 46 Cb 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 36.38 35.95 2rm4 s VAL 46 CO 0.00 -0.44 1.09 -2.84 0.00 0.00 0.00 175.10 172.92 2rm4 s PRO 47 N -1.40 4.64 0.45 2.72 0.02 -1.26 -1.91 135.00 138.25 2rm4 s PRO 47 Ca -0.15 1.79 -0.21 0.00 0.02 0.00 0.00 61.00 62.46 2rm4 s PRO 47 Cb -0.09 -3.18 -0.10 0.00 0.02 0.00 0.00 34.50 31.16 2rm4 s PRO 47 CO 0.00 0.21 0.98 -0.51 -0.33 0.00 0.00 177.00 177.36 2rm4 s LEU 48 N -1.47 3.89 0.34 -5.54 1.43 -1.15 -4.92 118.68 111.26 2rm4 s LEU 48 Ca 0.45 1.77 0.05 0.00 -1.03 0.00 0.00 54.13 55.36 2rm4 s LEU 48 Cb -0.32 -4.55 0.69 0.00 0.03 0.00 0.00 46.19 42.04 2rm4 s LEU 48 CO 0.41 -0.52 1.91 -0.09 0.23 0.00 0.00 176.35 178.29 2rm4 h ARG 49 N 1.74 0.81 -4.18 1.70 2.43 -1.96 -3.31 114.38 111.62 2rm4 h ARG 49 Ca -0.49 -0.05 -0.76 0.00 -0.81 0.00 0.00 59.98 57.87 2rm4 h ARG 49 Cb 1.19 -0.18 -0.23 0.00 -0.42 0.00 0.00 29.97 30.33 2rm4 h ARG 49 CO 0.60 0.54 0.43 0.15 -1.51 0.00 0.00 179.97 180.18 2rm4 s LYS 50 N -5.76 3.72 0.45 0.20 1.02 -1.26 -4.85 119.74 113.25 2rm4 s LYS 50 Ca -0.10 -2.39 0.13 0.00 0.02 0.00 0.00 55.97 53.63 2rm4 s LYS 50 Cb 0.20 -4.62 1.00 0.00 -0.52 0.00 0.00 37.83 33.89 2rm4 s LYS 50 CO 0.79 -1.44 2.01 1.96 -0.92 0.00 0.00 175.35 177.74 2rm4 h GLN 51 N 7.86 0.09 0.00 1.68 4.20 -1.91 -2.69 115.11 124.34 2rm4 h GLN 51 Ca 0.15 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 2rm4 h GLN 51 Cb 1.00 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 2rm4 h GLN 51 CO 0.91 0.20 -0.17 -0.91 -0.67 0.00 0.00 178.83 178.19 2rm4 h ASN 52 N 0.09 0.00 -3.54 1.46 -0.26 -1.94 -2.56 115.58 108.83 2rm4 h ASN 52 Ca 0.02 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.24 2rm4 h ASN 52 Cb 0.24 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.53 2rm4 h ASN 52 CO 0.01 0.17 0.56 0.00 -1.06 0.00 0.00 177.43 177.12 2rm4 s ALA 53 N -3.63 3.45 0.27 -0.83 0.00 -1.01 -4.75 121.76 115.26 2rm4 s ALA 53 Ca 0.01 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 2rm4 s ALA 53 Cb 0.10 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 2rm4 s ALA 53 CO 0.62 -0.38 0.56 -1.83 0.00 0.00 0.00 175.76 174.73 2rm4 s GLU 54 N -0.50 3.72 -0.25 0.00 -1.05 -1.26 -3.99 118.70 115.37 2rm4 s GLU 54 Ca 0.52 0.16 -0.10 0.00 -0.15 0.00 0.00 54.97 55.40 2rm4 s GLU 54 Cb -0.34 -2.63 -0.04 0.00 -0.44 0.00 0.00 34.13 30.68 2rm4 s GLU 54 CO 0.39 0.24 0.14 0.08 0.95 0.00 0.00 175.26 177.06 2rm4 s VAL 55 N -1.98 5.07 -0.23 1.83 1.01 -0.46 -4.95 120.40 120.68 2rm4 s VAL 55 Ca 0.46 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2rm4 s VAL 55 Cb -0.11 -3.37 0.05 0.00 0.00 0.00 0.00 36.38 32.95 2rm4 s VAL 55 CO 0.26 0.33 -0.09 -0.69 0.00 0.00 0.00 175.10 174.91 2rm4 s VAL 56 N 1.29 1.78 -0.00 2.92 1.01 -1.26 -1.81 120.40 124.33 2rm4 s VAL 56 Ca 0.06 -1.28 0.05 0.00 0.00 0.00 0.00 61.98 60.81 2rm4 s VAL 56 Cb -0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2rm4 s VAL 56 CO 0.06 0.02 -0.15 -0.76 0.00 0.00 0.00 175.10 174.27 2rm4 s LEU 57 N 1.30 2.06 0.30 3.92 1.43 -1.02 -4.96 118.68 121.70 2rm4 s LEU 57 Ca -0.05 -0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 2rm4 s LEU 57 Cb -0.18 -0.74 -0.09 0.00 0.03 0.00 0.00 46.19 45.20 2rm4 s LEU 57 CO -0.07 0.16 1.09 -0.54 0.23 0.00 0.00 176.35 177.22 2rm4 s LYS 58 N -0.51 4.54 0.48 1.70 1.02 -1.26 -2.23 119.74 123.49 2rm4 s LYS 58 Ca 0.05 1.75 0.20 0.00 0.02 0.00 0.00 55.97 57.99 2rm4 s LYS 58 Cb -0.06 -3.06 1.22 0.00 -0.52 0.00 0.00 37.83 35.41 2rm4 s LYS 58 CO -0.00 0.14 1.97 0.00 -0.92 0.00 0.00 175.35 176.54 2rm4 h THR 60 N 0.20 0.70 0.00 0.00 1.35 -1.91 -1.81 112.91 111.44 2rm4 h THR 60 Ca 0.29 -0.55 -0.09 0.00 -0.55 0.00 0.00 66.41 65.50 2rm4 h THR 60 Cb 0.86 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 2rm4 h THR 60 CO -0.05 0.13 -1.11 0.44 -0.25 0.00 0.00 175.52 174.68 2rm4 h ASP 61 N 0.00 0.00 -3.85 5.36 3.32 -1.47 -3.46 116.42 116.32 2rm4 h ASP 61 Ca -0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 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 0.34 0.30 -0.63 -1.72 0.00 0.00 179.24 177.54 2rm4 s ILE 62 N -3.10 4.31 -0.21 0.35 1.01 -0.68 -3.65 121.20 119.23 2rm4 s ILE 62 Ca -0.01 1.66 0.12 0.00 0.00 0.00 0.00 60.65 62.42 2rm4 s ILE 62 Cb 0.09 -3.91 -0.22 0.00 0.01 0.00 0.00 42.46 38.43 2rm4 s ILE 62 CO 0.79 0.07 -0.02 -1.14 0.00 0.00 0.00 174.94 174.64 2rm4 n ARG 63 N 0.38 0.74 -3.64 2.79 3.00 -0.50 -4.91 116.66 114.53 2rm4 n ARG 63 Ca 0.02 0.04 -0.06 0.00 -0.00 0.00 0.00 57.85 57.85 2rm4 n ARG 63 Cb 0.51 -1.50 -0.07 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 -5.74 -0.78 -0.00 6.15 0.15 -1.11 -5.05 113.70 107.32 2rm4 s SER 64 Ca -0.17 1.27 -0.02 0.00 0.70 0.00 0.00 55.95 57.73 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 0.73 -0.20 0.16 -0.63 1.20 0.00 0.00 173.24 174.50 2rm4 s ILE 65 N 1.45 5.28 -0.07 6.45 1.01 -1.26 -2.07 121.20 131.99 2rm4 s ILE 65 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2rm4 s ILE 65 Cb -0.05 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.98 2rm4 s ILE 65 CO -0.17 0.31 -0.05 1.51 0.00 0.00 0.00 174.94 176.54 2rm4 s ASP 66 N -1.96 1.56 -0.34 3.58 -4.77 -0.71 -5.01 116.67 109.02 2rm4 s ASP 66 Ca 0.27 -0.18 -0.29 0.00 -3.30 0.00 0.00 52.55 49.05 2rm4 s ASP 66 Cb -0.13 -0.60 0.01 0.00 -1.09 0.00 0.00 42.92 41.11 2rm4 s ASP 66 CO 0.19 -0.10 1.27 -0.76 0.70 0.00 0.00 175.17 176.47 2rm4 s LEU 67 N 1.39 3.81 -0.04 2.11 1.43 -1.26 -1.45 118.68 124.67 2rm4 s LEU 67 Ca -0.03 1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 53.87 2rm4 s LEU 67 Cb -0.13 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.31 2rm4 s LEU 67 CO -0.03 -1.13 1.04 0.40 0.23 0.00 0.00 176.35 176.86 2rm4 h ILE 68 N 6.05 1.52 -2.82 -0.59 2.04 -1.27 -3.43 117.51 119.01 2rm4 h ILE 68 Ca -0.25 -1.97 -0.57 0.00 1.00 0.00 0.00 64.86 63.07 2rm4 h ILE 68 Cb 1.09 2.73 -0.40 0.00 -0.74 0.00 0.00 36.82 39.50 2rm4 h ILE 68 CO 1.05 0.55 -0.79 -1.61 0.00 0.00 0.00 178.15 177.35 2rm4 s GLU 69 N -3.14 0.54 -0.05 2.37 2.02 -0.87 -5.01 118.70 114.56 2rm4 s GLU 69 Ca -0.15 -1.07 -0.20 0.00 0.02 0.00 0.00 54.97 53.57 2rm4 s GLU 69 Cb 0.01 -1.51 -0.14 0.00 0.10 0.00 0.00 34.13 32.59 2rm4 s GLU 69 CO 0.76 -1.09 0.82 -1.00 0.02 0.00 0.00 175.26 174.77 2rm4 h PRO 70 N 7.71 -0.29 -7.00 0.39 0.13 -1.83 -2.77 132.00 128.34 2rm4 h PRO 70 Ca -0.08 0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.55 2rm4 h PRO 70 Cb 0.99 0.07 0.08 0.00 0.13 0.00 0.00 31.00 32.26 2rm4 h PRO 70 CO 0.40 0.07 0.52 0.00 -0.23 0.00 0.00 178.00 178.76 2rm4 s ALA 71 N -3.79 3.00 0.09 -0.56 0.00 -1.26 -4.82 121.76 114.42 2rm4 s ALA 71 Ca -0.11 1.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.79 2rm4 s ALA 71 Cb 0.01 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 2rm4 s ALA 71 CO 0.42 -0.78 0.40 0.15 0.00 0.00 0.00 175.76 175.95 2rm4 s LYS 72 N -2.63 3.74 -0.25 0.00 1.02 -1.26 -4.99 119.74 115.37 2rm4 s LYS 72 Ca 0.63 0.15 -0.11 0.00 0.02 0.00 0.00 55.97 56.66 2rm4 s LYS 72 Cb -0.32 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 2rm4 s LYS 72 CO 0.39 0.55 0.20 -1.14 -0.92 0.00 0.00 175.35 174.43 2rm4 s GLN 73 N -2.00 4.03 0.07 1.68 0.74 -1.26 -5.08 119.66 117.84 2rm4 s GLN 73 Ca 0.34 -0.24 0.03 0.00 0.05 0.00 0.00 55.36 55.54 2rm4 s GLN 73 Cb -0.14 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.34 2rm4 s GLN 73 CO 0.19 -0.06 0.09 0.16 -0.55 0.00 0.00 175.29 175.12 2rm4 s ASP 74 N 1.35 5.62 0.31 6.67 -4.77 -1.26 -5.01 116.67 119.59 2rm4 s ASP 74 Ca 0.08 0.03 0.03 0.00 -3.30 0.00 0.00 52.55 49.39 2rm4 s ASP 74 Cb -0.15 -1.54 0.52 0.00 -1.09 0.00 0.00 42.92 40.67 2rm4 s ASP 74 CO 0.07 0.18 1.82 -0.07 0.70 0.00 0.00 175.17 177.87 2rm4 h LEU 75 N 3.31 0.51 -7.72 2.11 3.38 -2.04 -3.46 115.31 111.40 2rm4 h LEU 75 Ca -0.47 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 2rm4 h LEU 75 Cb 1.16 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.65 2rm4 h LEU 75 CO 0.67 0.64 -0.19 -0.62 0.09 0.00 0.00 178.44 179.02 2rm4 s ASP 76 N -6.75 -0.08 0.00 -0.43 2.15 -1.26 -5.01 116.67 105.30 2rm4 s ASP 76 Ca -0.08 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.33 2rm4 s ASP 76 Cb 0.15 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 43.22 2rm4 s ASP 76 CO 0.78 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 2rm4 n GLY 77 N -0.20 0.48 3.42 2.66 0.00 -1.26 -5.15 105.19 105.15 2rm4 n GLY 77 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.89 0.28 1.61 3.76 -1.26 -5.04 115.29 116.53 2rm4 s HIS 78 Ca 0.00 -0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 54.01 2rm4 s HIS 78 Cb 0.00 -1.17 0.42 0.00 1.11 0.00 0.00 32.58 32.94 2rm4 s HIS 78 CO 0.00 0.08 1.92 1.15 -0.85 0.00 0.00 174.74 177.04 2rm4 h THR 79 N 2.22 1.15 -3.81 1.30 2.02 -2.03 -3.43 112.91 110.33 2rm4 h THR 79 Ca -0.40 -0.40 -0.33 0.00 0.77 0.00 0.00 66.41 66.05 2rm4 h THR 79 Cb 1.24 -0.12 -0.19 0.00 -1.74 0.00 0.00 68.15 67.34 2rm4 h THR 79 CO 0.68 0.21 -0.74 0.00 0.37 0.00 0.00 175.52 176.04 2rm4 s ALA 80 N -5.99 1.03 0.46 6.16 0.00 -1.26 -5.13 121.76 117.02 2rm4 s ALA 80 Ca -0.12 -1.08 -0.24 0.00 0.00 0.00 0.00 51.96 50.51 2rm4 s ALA 80 Cb 0.19 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.25 2rm4 s ALA 80 CO 0.81 -0.00 1.30 -2.14 0.00 0.00 0.00 175.76 175.73 2rm4 s PRO 81 N -2.41 3.68 0.71 0.00 0.02 -1.26 -4.98 135.00 130.75 2rm4 s PRO 81 Ca 0.02 2.13 -0.15 0.00 0.02 0.00 0.00 61.00 63.02 2rm4 s PRO 81 Cb -0.05 -2.54 0.03 0.00 0.02 0.00 0.00 34.50 31.95 2rm4 s PRO 81 CO 0.00 -0.73 1.15 -1.25 -0.33 0.00 0.00 177.00 175.85 2rm4 s PRO 82 N -2.53 2.41 0.35 5.54 0.04 -1.26 -4.94 135.00 134.61 2rm4 s PRO 82 Ca 0.63 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 2rm4 s PRO 82 Cb -0.37 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.17 2rm4 s PRO 82 CO 0.47 -1.58 1.53 -1.25 0.04 0.00 0.00 177.00 176.20 2rm4 s PRO 83 N -4.08 4.10 -0.03 0.56 0.04 -1.26 -5.01 135.00 129.32 2rm4 s PRO 83 Ca 0.70 2.59 0.05 0.00 0.04 0.00 0.00 61.00 64.38 2rm4 s PRO 83 Cb -0.24 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 2rm4 s PRO 83 CO 0.44 -0.58 -0.19 0.08 0.04 0.00 0.00 177.00 176.80 2rm4 s VAL 84 N -0.77 1.53 -0.12 -0.36 1.01 -1.26 -5.13 120.40 115.30 2rm4 s VAL 84 Ca 0.56 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 2rm4 s VAL 84 Cb -0.47 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2rm4 s VAL 84 CO 0.59 0.43 -0.03 -0.69 0.00 0.00 0.00 175.10 175.40 2rm4 s VAL 85 N -0.27 4.02 -0.20 2.92 1.01 -1.26 -5.10 120.40 121.52 2rm4 s VAL 85 Ca 0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 2rm4 s VAL 85 Cb -0.09 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2rm4 s VAL 85 CO 0.01 0.54 0.09 0.21 0.00 0.00 0.00 175.10 175.95 2rm4 s ASN 86 N -0.21 5.70 -0.66 3.32 3.84 -1.26 -5.04 114.94 120.63 2rm4 s ASN 86 Ca 0.04 0.06 0.05 0.00 0.21 0.00 0.00 52.86 53.22 2rm4 s ASN 86 Cb -0.13 -2.00 0.18 0.00 -0.55 0.00 0.00 41.25 38.75 2rm4 s ASN 86 CO 0.02 0.12 0.50 0.29 -2.79 0.00 0.00 177.10 175.24 2rm4 n LYS 87 N 3.89 1.67 -1.70 0.43 4.76 -1.26 -5.10 118.16 120.84 2rm4 n LYS 87 Ca -0.16 -4.32 -0.38 0.00 -2.87 0.00 0.00 58.31 50.58 2rm4 n LYS 87 Cb 0.52 -2.19 0.06 0.00 -1.84 0.00 0.00 35.03 31.57 2rm4 n LYS 87 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2rm4 n PRO 88 N 1.97 1.23 -3.82 1.97 -0.02 -1.26 -4.98 135.00 130.08 2rm4 n PRO 88 Ca 0.22 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 2rm4 n PRO 88 Cb 0.37 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 2rm4 n PRO 88 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2rm4 s THR 89 N -1.38 3.11 0.59 3.45 -4.23 -1.26 -4.95 115.64 110.96 2rm4 s THR 89 Ca 0.78 -2.07 0.32 0.00 -1.18 0.00 0.00 61.69 59.54 2rm4 s THR 89 Cb -0.40 -3.14 0.36 0.00 1.34 0.00 0.00 72.50 70.67 2rm4 s THR 89 CO 0.45 -0.65 2.26 1.55 -0.54 0.00 0.00 174.62 177.69 2rm4 h PRO 90 N 7.97 0.00 -0.94 3.99 0.13 -1.94 -2.44 132.00 138.77 2rm4 h PRO 90 Ca -0.12 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2rm4 h PRO 90 Cb 1.04 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 2rm4 h PRO 90 CO 0.66 0.01 0.62 0.28 -0.23 0.00 0.00 178.00 179.34 2rm4 h VAL 91 N 0.00 1.24 0.00 1.56 2.07 -2.01 -3.32 116.25 115.79 2rm4 h VAL 91 Ca -0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2rm4 h VAL 91 Cb 0.03 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.66 2rm4 h VAL 91 CO 0.00 0.23 -0.05 0.50 0.02 0.00 0.00 177.57 178.27 2rm4 h LYS 92 N 1.28 0.00 -4.75 1.57 1.63 -1.88 -3.46 116.57 110.96 2rm4 h LYS 92 Ca 0.34 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 59.46 2rm4 h LYS 92 Cb -0.15 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 31.17 2rm4 h LYS 92 CO -0.07 0.00 -0.68 -1.17 -3.45 0.00 0.00 179.45 174.08 2rm4 s LEU 93 N -4.93 3.99 0.51 5.20 2.96 -1.10 -5.09 118.68 120.23 2rm4 s LEU 93 Ca -0.02 -1.22 -0.23 0.00 -0.22 0.00 0.00 54.13 52.44 2rm4 s LEU 93 Cb 0.00 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.87 2rm4 s LEU 93 CO 0.02 -0.27 1.39 -2.65 -1.32 0.00 0.00 176.35 173.52 2rm4 n PRO 94 N 4.68 1.92 -5.13 0.98 -0.02 -1.25 -4.34 135.00 131.84 2rm4 n PRO 94 Ca -0.13 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 2rm4 n PRO 94 Cb 0.44 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.16 2rm4 n PRO 94 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2rm4 s HIS 95 N -1.25 2.52 -0.03 6.00 3.76 -1.26 -5.00 115.29 120.04 2rm4 s HIS 95 Ca 0.68 -0.55 0.01 0.00 -0.15 0.00 0.00 55.06 55.04 2rm4 s HIS 95 Cb -0.43 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.61 2rm4 s HIS 95 CO 0.52 -0.11 -0.01 0.12 -0.85 0.00 0.00 174.74 174.42 2rm4 s PHE 96 N -0.28 3.07 0.28 1.40 5.36 -1.24 -5.02 117.98 121.53 2rm4 s PHE 96 Ca 0.01 0.09 -0.01 0.00 -0.96 0.00 0.00 56.93 56.05 2rm4 s PHE 96 Cb -0.13 -1.69 0.45 0.00 -0.34 0.00 0.00 43.02 41.31 2rm4 s PHE 96 CO 0.03 0.44 1.88 0.77 -1.46 0.00 0.00 175.22 176.88 2rm4 h SER 97 N 4.62 1.01 -1.01 6.13 0.02 -2.00 -2.02 113.55 120.29 2rm4 h SER 97 Ca -0.49 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.49 2rm4 h SER 97 Cb 1.18 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.46 2rm4 h SER 97 CO 0.56 0.63 0.67 -1.13 -1.14 0.00 0.00 176.83 176.42 2rm4 h ASN 98 N 1.13 1.14 -3.81 3.07 -1.24 -2.04 -3.42 115.58 110.42 2rm4 h ASN 98 Ca 0.43 -0.02 -0.55 0.00 0.71 0.00 0.00 56.30 56.87 2rm4 h ASN 98 Cb 0.21 -0.28 -0.32 0.00 0.73 0.00 0.00 38.32 38.67 2rm4 h ASN 98 CO -0.18 0.81 -0.83 -0.51 -1.29 0.00 0.00 177.43 175.43 2rm4 s ILE 99 N -6.10 1.35 0.32 2.57 2.07 -0.76 -5.02 121.20 115.62 2rm4 s ILE 99 Ca -0.13 -0.66 0.03 0.00 -1.41 0.00 0.00 60.65 58.48 2rm4 s ILE 99 Cb 0.18 -1.17 0.17 0.00 0.13 0.00 0.00 42.46 41.77 2rm4 s ILE 99 CO 0.82 0.39 1.87 -0.07 -1.91 0.00 0.00 174.94 176.04 2rm4 h LEU 100 N 6.37 0.59 -0.79 8.50 3.38 -1.82 -3.30 115.31 128.25 2rm4 h LEU 100 Ca -0.32 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2rm4 h LEU 100 Cb 1.18 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2rm4 h LEU 100 CO 0.48 0.62 0.00 0.61 0.09 0.00 0.00 178.44 180.23