#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 1.57 -2.52 4.61 0.00 -2.04 -3.45 119.26 117.43 2rm4 h ALA 0 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2rm4 h ALA 0 Cb 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 17.79 17.45 2rm4 h ALA 0 CO 0.00 0.33 -0.25 -1.64 0.00 0.00 0.00 179.25 177.69 2rm4 s MET 1 N -5.22 0.73 -0.64 0.00 1.00 -1.26 -4.99 119.30 108.93 2rm4 s MET 1 Ca -0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 55.69 55.27 2rm4 s MET 1 Cb 0.16 0.32 0.00 0.00 0.00 0.00 0.00 34.83 35.32 2rm4 s MET 1 CO 0.74 -0.22 0.65 0.41 0.00 0.00 0.00 175.02 176.60 2rm4 n GLY 2 N 1.00 -1.23 3.70 -0.03 0.00 -1.26 -4.86 105.19 102.51 2rm4 n GLY 2 Ca -0.20 0.64 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.38 2.75 -3.28 1.61 -0.04 -1.26 -4.49 135.00 128.92 2rm4 n PRO 3 Ca 0.03 1.00 -0.07 0.00 -0.04 0.00 0.00 63.50 64.41 2rm4 n PRO 3 Cb 0.49 -2.86 -0.04 0.00 -0.04 0.00 0.00 33.50 31.04 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 1.90 -0.68 0.16 0.52 -4.23 -1.26 -5.05 115.64 106.99 2rm4 s THR 4 Ca 0.79 -0.39 -0.25 0.00 -1.18 0.00 0.00 61.69 60.66 2rm4 s THR 4 Cb -0.51 -0.64 0.06 0.00 1.34 0.00 0.00 72.50 72.76 2rm4 s THR 4 CO 0.35 -0.27 0.90 -0.62 -0.54 0.00 0.00 174.62 174.45 2rm4 s ASP 5 N 2.06 -0.22 0.00 3.99 -1.08 -1.26 -4.95 116.67 115.21 2rm4 s ASP 5 Ca 0.13 -0.39 0.18 0.00 -0.52 0.00 0.00 52.55 51.95 2rm4 s ASP 5 Cb -0.11 0.52 0.88 0.00 -1.46 0.00 0.00 42.92 42.76 2rm4 s ASP 5 CO -0.16 -0.96 1.57 0.00 0.52 0.00 0.00 175.17 176.14 2rm4 n GLN 6 N -0.45 0.19 0.13 4.34 6.02 -1.26 -3.25 117.38 123.10 2rm4 n GLN 6 Ca -0.06 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2rm4 n GLN 6 Cb 0.61 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.65 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 0.14 1.26 1.08 3.32 -2.00 -2.75 116.42 117.47 2rm4 h ASP 7 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2rm4 h ASP 7 Cb 0.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2rm4 h ASP 7 CO 0.00 0.51 0.00 0.79 -1.72 0.00 0.00 179.24 178.82 2rm4 n TRP 8 N -4.07 0.70 -1.69 4.55 5.03 -1.20 -4.91 117.44 115.87 2rm4 n TRP 8 Ca -0.02 0.22 -0.44 0.00 3.03 0.00 0.00 57.50 60.29 2rm4 n TRP 8 Cb 0.44 -0.85 -0.03 0.00 -1.03 0.00 0.00 31.31 29.84 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 -2.08 0.87 -0.71 -0.99 2.08 -1.04 -0.59 119.36 116.89 2rm4 n ILE 9 Ca 0.05 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 63.15 2rm4 n ILE 9 Cb 0.38 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.69 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 2.29 0.99 3.87 7.39 0.00 0.30 -4.95 105.19 115.07 2rm4 n GLY 10 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2rm4 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rm4 s ALA 12 N -2.50 3.58 0.08 0.00 0.00 -0.99 -1.83 121.76 120.10 2rm4 s ALA 12 Ca 0.53 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.06 2rm4 s ALA 12 Cb -0.10 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2rm4 s ALA 12 CO 0.33 -0.68 -0.06 0.14 0.00 0.00 0.00 175.76 175.49 2rm4 s VAL 13 N 2.19 0.62 -0.02 0.00 -7.23 -1.04 -0.57 120.40 114.36 2rm4 s VAL 13 Ca 0.25 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 58.73 2rm4 s VAL 13 Cb -0.16 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 2rm4 s VAL 13 CO 0.09 -0.79 -0.23 -0.55 -0.31 0.00 0.00 175.10 173.31 2rm4 s SER 14 N -2.74 3.30 -0.14 4.85 0.15 -0.51 -2.63 113.70 115.97 2rm4 s SER 14 Ca 0.07 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.31 2rm4 s SER 14 Cb 0.02 -0.45 0.02 0.00 -1.71 0.00 0.00 66.02 63.90 2rm4 s SER 14 CO -0.04 0.32 -0.17 -0.63 1.20 0.00 0.00 173.24 173.91 2rm4 s ILE 15 N -0.67 1.77 -0.41 6.45 -1.09 -0.51 -2.08 121.20 124.66 2rm4 s ILE 15 Ca 0.11 -0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 57.59 2rm4 s ILE 15 Cb -0.10 -1.61 0.02 0.00 -1.58 0.00 0.00 42.46 39.19 2rm4 s ILE 15 CO -0.00 0.49 0.34 0.00 -1.23 0.00 0.00 174.94 174.54 2rm4 s ALA 16 N 1.18 3.47 0.44 9.38 0.00 -0.64 -2.51 121.76 133.08 2rm4 s ALA 16 Ca -0.00 -1.66 0.03 0.00 0.00 0.00 0.00 51.96 50.33 2rm4 s ALA 16 Cb -0.14 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.05 2rm4 s ALA 16 CO -0.07 -1.49 0.62 0.00 0.00 0.00 0.00 175.76 174.82 2rm4 s ASP 18 N -4.27 -0.55 0.36 0.00 1.47 -1.22 -4.22 116.67 108.24 2rm4 s ASP 18 Ca 0.50 1.15 0.09 0.00 1.18 0.00 0.00 52.55 55.47 2rm4 s ASP 18 Cb -0.10 -1.71 0.81 0.00 -0.34 0.00 0.00 42.92 41.58 2rm4 s ASP 18 CO 0.35 -5.09 1.90 -0.33 0.68 0.00 0.00 175.17 172.69 2rm4 h GLU 19 N -3.23 0.67 0.00 2.11 5.08 -1.96 -0.17 114.58 117.08 2rm4 h GLU 19 Ca -0.52 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 57.71 2rm4 h GLU 19 Cb 1.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2rm4 h GLU 19 CO 0.37 0.44 -0.42 0.28 -1.00 0.00 0.00 179.01 178.68 2rm4 h VAL 20 N 0.69 0.85 0.00 3.13 2.07 -2.00 -3.11 116.25 117.88 2rm4 h VAL 20 Ca 0.40 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2rm4 h VAL 20 Cb 0.58 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2rm4 h VAL 20 CO -0.16 0.41 -0.92 0.18 0.02 0.00 0.00 177.57 177.10 2rm4 n LEU 21 N -3.39 0.75 0.00 2.57 4.77 -0.13 -5.05 117.00 116.52 2rm4 n LEU 21 Ca 0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2rm4 n LEU 21 Cb 0.60 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2rm4 n LEU 21 CO 0.38 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2rm4 n GLY 22 N 1.26 0.80 3.06 -0.72 0.00 -0.88 -4.81 105.19 103.89 2rm4 n GLY 22 Ca 0.01 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 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 0.86 0.14 1.61 1.01 -1.26 -1.83 120.40 120.93 2rm4 s VAL 23 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2rm4 s VAL 23 Cb 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2rm4 s VAL 23 CO 0.00 0.23 -0.10 0.72 0.00 0.00 0.00 175.10 175.96 2rm4 s PHE 24 N -0.28 1.20 0.02 5.22 -0.12 -1.04 -2.31 117.98 120.67 2rm4 s PHE 24 Ca 0.04 -0.78 0.01 0.00 -0.05 0.00 0.00 56.93 56.16 2rm4 s PHE 24 Cb -0.04 -0.62 -0.02 0.00 -0.63 0.00 0.00 43.02 41.71 2rm4 s PHE 24 CO -0.00 0.04 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.50 2rm4 s GLN 25 N -3.70 0.41 -0.04 1.99 -0.21 0.21 -1.43 119.66 116.89 2rm4 s GLN 25 Ca 0.15 -0.49 -0.31 0.00 0.02 0.00 0.00 55.36 54.73 2rm4 s GLN 25 Cb 0.03 -0.23 0.13 0.00 1.00 0.00 0.00 33.01 33.93 2rm4 s GLN 25 CO -0.00 0.05 1.31 0.20 -2.12 0.00 0.00 175.29 174.72 2rm4 s GLY 26 N -0.98 -0.42 -0.01 3.09 0.00 -1.08 -2.31 107.32 105.60 2rm4 s GLY 26 Ca -0.07 0.78 -0.19 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 4.41 0.27 0.66 1.43 -1.25 -2.50 118.68 118.77 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 1.34 -0.63 0.23 0.00 0.00 176.35 177.38 2rm4 s ILE 28 N -0.26 2.84 -0.16 -0.59 1.01 -0.76 -1.93 121.20 121.35 2rm4 s ILE 28 Ca 0.29 0.76 0.08 0.00 0.00 0.00 0.00 60.65 61.78 2rm4 s ILE 28 Cb -0.18 -3.48 -0.15 0.00 0.01 0.00 0.00 42.46 38.66 2rm4 s ILE 28 CO 0.16 0.15 -0.05 1.17 0.00 0.00 0.00 174.94 176.37 2rm4 n LYS 29 N 1.70 1.10 -3.69 2.79 4.81 -0.00 0.11 118.16 124.97 2rm4 n LYS 29 Ca 0.03 0.04 -0.14 0.00 -0.87 0.00 0.00 58.31 57.38 2rm4 n LYS 29 Cb 0.42 -1.37 -0.08 0.00 0.02 0.00 0.00 35.03 34.01 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 -2.36 0.79 -0.01 1.64 -0.21 -1.01 -4.74 119.66 113.76 2rm4 s GLN 30 Ca -0.15 -0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.12 2rm4 s GLN 30 Cb 0.05 0.36 0.01 0.00 1.00 0.00 0.00 33.01 34.43 2rm4 s GLN 30 CO 0.52 -0.23 -0.00 0.42 -2.12 0.00 0.00 175.29 173.88 2rm4 s ILE 31 N -1.44 0.06 0.07 1.08 1.01 -1.26 -1.43 121.20 119.28 2rm4 s ILE 31 Ca -0.12 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 2rm4 s ILE 31 Cb -0.03 -0.09 -0.00 0.00 0.01 0.00 0.00 42.46 42.35 2rm4 s ILE 31 CO 0.05 0.04 0.18 -0.94 0.00 0.00 0.00 174.94 174.27 2rm4 s SER 32 N 0.27 0.11 0.61 3.58 1.04 -0.77 -4.77 113.70 113.77 2rm4 s SER 32 Ca -0.02 -0.58 0.31 0.00 0.48 0.00 0.00 55.95 56.13 2rm4 s SER 32 Cb -0.04 0.32 1.71 0.00 0.10 0.00 0.00 66.02 68.11 2rm4 s SER 32 CO -0.01 -0.67 2.06 0.00 0.98 0.00 0.00 173.24 175.60 2rm4 h ALA 33 N 2.99 1.67 0.00 5.32 0.00 -1.99 -1.45 119.26 125.80 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 -1.62 0.39 0.00 0.00 0.00 179.25 178.23 2rm4 n GLU 34 N -3.51 0.63 -3.56 0.00 1.02 -1.26 -4.84 120.64 109.13 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 0.36 -1.74 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 2rm4 n GLU 34 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2rm4 s GLU 35 N -2.91 1.08 -0.05 3.49 -1.05 -0.55 -2.90 118.70 115.81 2rm4 s GLU 35 Ca -0.04 -0.34 0.03 0.00 -0.15 0.00 0.00 54.97 54.47 2rm4 s GLU 35 Cb 0.09 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.24 2rm4 s GLU 35 CO 0.82 -0.41 -0.14 0.42 0.95 0.00 0.00 175.26 176.91 2rm4 s ILE 36 N -2.85 3.08 -0.07 1.83 -1.09 -0.93 -1.86 121.20 119.32 2rm4 s ILE 36 Ca -0.03 -0.72 0.03 0.00 -2.23 0.00 0.00 60.65 57.70 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 -0.05 0.59 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.20 2rm4 s THR 37 N -0.72 1.43 0.32 2.92 2.01 -0.51 -2.38 115.64 118.71 2rm4 s THR 37 Ca 0.11 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.48 2rm4 s THR 37 Cb -0.11 -1.27 -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 0.45 0.56 0.25 1.82 -4.36 -0.71 -0.82 121.20 118.39 2rm4 s ILE 38 Ca -0.14 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.32 2rm4 s ILE 38 Cb -0.15 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 40.96 2rm4 s ILE 38 CO 0.05 0.00 -0.08 0.68 0.24 0.00 0.00 174.94 175.83 2rm4 s VAL 39 N -3.50 1.57 -0.85 8.37 -7.23 -0.81 -1.41 120.40 116.54 2rm4 s VAL 39 Ca 0.34 -2.14 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 2rm4 s VAL 39 Cb 0.06 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 2rm4 s VAL 39 CO 0.16 -0.41 0.74 0.54 -0.31 0.00 0.00 175.10 175.82 2rm4 n ARG 40 N -0.49 -1.52 -2.13 4.82 5.12 -1.15 -3.84 116.66 117.48 2rm4 n ARG 40 Ca -0.06 1.19 -0.42 0.00 -1.93 0.00 0.00 57.85 56.62 2rm4 n ARG 40 Cb 0.62 -5.21 -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 3.62 -0.12 7.54 0.00 -1.26 -4.69 121.76 123.73 2rm4 s ALA 41 Ca 0.14 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2rm4 s ALA 41 Cb -0.03 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2rm4 s ALA 41 CO 0.78 -0.98 -0.12 -0.06 0.00 0.00 0.00 175.76 175.38 2rm4 s PHE 42 N 2.48 2.82 0.02 0.00 0.40 -0.98 -2.70 117.98 120.02 2rm4 s PHE 42 Ca 0.67 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 2rm4 s PHE 42 Cb -0.34 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.36 2rm4 s PHE 42 CO 0.28 -0.11 -0.08 0.50 0.70 0.00 0.00 175.22 176.51 2rm4 s ARG 43 N 0.15 0.56 -1.55 0.44 3.52 -0.59 -0.62 118.95 120.86 2rm4 s ARG 43 Ca -0.06 -0.47 -0.14 0.00 -0.13 0.00 0.00 55.73 54.93 2rm4 s ARG 43 Cb -0.15 -0.47 0.09 0.00 -1.56 0.00 0.00 34.95 32.86 2rm4 s ARG 43 CO 0.05 0.12 0.97 0.09 -0.81 0.00 0.00 175.30 175.71 2rm4 n ASN 44 N 2.31 -4.67 -1.61 -2.12 5.03 -0.98 -1.27 115.26 111.95 2rm4 n ASN 44 Ca -0.17 -0.80 -0.19 0.00 0.87 0.00 0.00 54.58 54.29 2rm4 n ASN 44 Cb 0.56 -3.78 -0.07 0.00 -1.02 0.00 0.00 39.78 35.48 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 3.09 7.41 0.00 -1.26 -4.96 105.19 109.17 2rm4 n GLY 45 Ca 0.04 -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 0.23 1.61 1.01 -0.40 -5.14 120.40 115.07 2rm4 s VAL 46 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 2rm4 s VAL 46 Cb 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 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 -1.92 4.50 0.39 2.72 0.02 -1.26 -1.54 135.00 137.91 2rm4 s PRO 47 Ca -0.11 1.93 -0.23 0.00 0.02 0.00 0.00 61.00 62.61 2rm4 s PRO 47 Cb -0.05 -3.19 -0.10 0.00 0.02 0.00 0.00 34.50 31.18 2rm4 s PRO 47 CO -0.01 -0.04 0.98 -0.51 -0.33 0.00 0.00 177.00 177.09 2rm4 s LEU 48 N -0.78 4.11 0.41 -5.54 1.43 -1.10 -4.87 118.68 112.33 2rm4 s LEU 48 Ca 0.50 1.85 0.09 0.00 -1.03 0.00 0.00 54.13 55.55 2rm4 s LEU 48 Cb -0.34 -4.29 0.89 0.00 0.03 0.00 0.00 46.19 42.49 2rm4 s LEU 48 CO 0.40 -0.35 2.01 0.03 0.23 0.00 0.00 176.35 178.67 2rm4 h ARG 49 N 2.42 0.54 -3.14 1.70 3.08 -1.95 -3.10 114.38 113.92 2rm4 h ARG 49 Ca -0.48 -0.03 -0.74 0.00 0.07 0.00 0.00 59.98 58.80 2rm4 h ARG 49 Cb 1.20 -0.12 -0.11 0.00 0.08 0.00 0.00 29.97 31.01 2rm4 h ARG 49 CO 0.62 0.35 2.45 1.63 -1.07 0.00 0.00 179.97 183.96 2rm4 n LYS 50 N -4.47 3.96 -0.34 0.04 5.02 -1.26 -4.74 118.16 116.36 2rm4 n LYS 50 Ca 0.07 -3.30 0.00 0.00 -2.02 0.00 0.00 58.31 53.07 2rm4 n LYS 50 Cb 0.21 -2.82 0.16 0.00 -0.02 0.00 0.00 35.03 32.56 2rm4 n LYS 50 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2rm4 h GLN 51 N 5.24 1.19 0.00 1.97 5.75 -1.86 -1.85 115.11 125.55 2rm4 h GLN 51 Ca 0.58 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.93 2rm4 h GLN 51 Cb 0.47 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 2rm4 h GLN 51 CO 1.61 0.79 -0.36 -0.97 -2.65 0.00 0.00 178.83 177.24 2rm4 h ASN 52 N 1.23 0.00 -3.92 -0.69 -1.24 -1.92 -3.04 115.58 106.00 2rm4 h ASN 52 Ca 0.37 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.88 2rm4 h ASN 52 Cb -0.05 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.03 2rm4 h ASN 52 CO -0.10 0.36 0.45 0.00 -1.29 0.00 0.00 177.43 176.85 2rm4 s ALA 53 N -3.64 3.18 0.27 1.57 0.00 -0.70 -4.67 121.76 117.78 2rm4 s ALA 53 Ca -0.00 0.82 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 2rm4 s ALA 53 Cb 0.11 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 2rm4 s ALA 53 CO 0.68 -0.28 0.63 -1.83 0.00 0.00 0.00 175.76 174.96 2rm4 s GLU 54 N -2.19 3.87 -0.22 0.00 -1.05 -1.26 -4.02 118.70 113.84 2rm4 s GLU 54 Ca 0.54 0.43 -0.09 0.00 -0.15 0.00 0.00 54.97 55.70 2rm4 s GLU 54 Cb -0.27 -2.55 -0.04 0.00 -0.44 0.00 0.00 34.13 30.83 2rm4 s GLU 54 CO 0.34 0.24 0.11 0.08 0.95 0.00 0.00 175.26 176.97 2rm4 s VAL 55 N -1.91 5.02 -0.21 1.83 1.01 -0.50 -4.95 120.40 120.69 2rm4 s VAL 55 Ca 0.50 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2rm4 s VAL 55 Cb -0.11 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 33.01 2rm4 s VAL 55 CO 0.20 0.39 -0.10 -0.69 0.00 0.00 0.00 175.10 174.91 2rm4 s VAL 56 N 0.83 1.74 -0.04 2.92 1.01 -1.26 -1.73 120.40 123.86 2rm4 s VAL 56 Ca 0.06 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.91 2rm4 s VAL 56 Cb -0.13 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2rm4 s VAL 56 CO 0.02 0.11 -0.13 -0.76 0.00 0.00 0.00 175.10 174.34 2rm4 s LEU 57 N 1.34 1.80 0.20 3.92 1.43 -1.00 -4.98 118.68 121.39 2rm4 s LEU 57 Ca -0.03 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 2rm4 s LEU 57 Cb -0.17 -0.81 -0.08 0.00 0.03 0.00 0.00 46.19 45.16 2rm4 s LEU 57 CO -0.08 0.09 1.18 -0.75 0.23 0.00 0.00 176.35 177.03 2rm4 s LYS 58 N 0.27 4.52 0.44 1.70 2.20 -1.26 -2.18 119.74 125.43 2rm4 s LYS 58 Ca -0.07 1.87 0.18 0.00 -0.36 0.00 0.00 55.97 57.58 2rm4 s LYS 58 Cb -0.12 -3.23 1.11 0.00 -1.51 0.00 0.00 37.83 34.09 2rm4 s LYS 58 CO 0.02 -0.03 1.92 0.00 -0.36 0.00 0.00 175.35 176.90 2rm4 h THR 60 N 0.35 0.61 0.00 0.00 1.35 -1.91 -1.83 112.91 111.48 2rm4 h THR 60 Ca 0.37 -0.55 -0.14 0.00 -0.55 0.00 0.00 66.41 65.54 2rm4 h THR 60 Cb 0.94 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 2rm4 h THR 60 CO -0.11 0.12 -1.16 0.44 -0.25 0.00 0.00 175.52 174.57 2rm4 h ASP 61 N 0.00 0.00 -3.81 5.36 3.32 -1.04 -3.46 116.42 116.79 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 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2rm4 h ASP 61 CO 0.02 0.50 0.30 -0.63 -1.72 0.00 0.00 179.24 177.71 2rm4 s ILE 62 N -2.97 4.26 -0.21 0.35 1.01 -0.69 -3.40 121.20 119.54 2rm4 s ILE 62 Ca -0.01 1.76 0.13 0.00 0.00 0.00 0.00 60.65 62.53 2rm4 s ILE 62 Cb 0.08 -4.02 -0.22 0.00 0.01 0.00 0.00 42.46 38.32 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 0.70 0.74 -3.49 2.79 3.00 -0.51 -4.91 116.66 114.99 2rm4 n ARG 63 Ca 0.01 0.04 -0.16 0.00 -0.00 0.00 0.00 57.85 57.74 2rm4 n ARG 63 Cb 0.50 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.41 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 -5.73 -0.61 0.02 6.15 0.15 -1.10 -5.05 113.70 107.53 2rm4 s SER 64 Ca -0.17 0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.95 2rm4 s SER 64 Cb 0.07 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.91 2rm4 s SER 64 CO 0.73 -0.71 -0.04 -0.63 1.20 0.00 0.00 173.24 173.79 2rm4 s ILE 65 N -2.03 0.24 -0.03 6.45 1.01 -1.26 -1.62 121.20 123.95 2rm4 s ILE 65 Ca -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2rm4 s ILE 65 Cb -0.00 -0.33 0.03 0.00 0.01 0.00 0.00 42.46 42.16 2rm4 s ILE 65 CO 0.02 -0.35 -0.01 1.51 0.00 0.00 0.00 174.94 176.12 2rm4 s ASP 66 N -1.18 0.55 -0.34 3.58 -4.77 -0.88 -5.01 116.67 108.62 2rm4 s ASP 66 Ca -0.11 -0.05 -0.29 0.00 -3.30 0.00 0.00 52.55 48.81 2rm4 s ASP 66 Cb -0.08 -0.27 0.01 0.00 -1.09 0.00 0.00 42.92 41.49 2rm4 s ASP 66 CO -0.00 -0.09 1.26 -0.76 0.70 0.00 0.00 175.17 176.28 2rm4 s LEU 67 N 1.02 3.81 -0.04 2.11 1.43 -1.26 -1.42 118.68 124.32 2rm4 s LEU 67 Ca -0.10 1.02 -0.22 0.00 -1.03 0.00 0.00 54.13 53.81 2rm4 s LEU 67 Cb -0.14 -3.54 -0.29 0.00 0.03 0.00 0.00 46.19 42.25 2rm4 s LEU 67 CO -0.01 -1.13 0.94 0.40 0.23 0.00 0.00 176.35 176.77 2rm4 h ILE 68 N 6.04 1.51 -2.92 -0.59 2.04 -1.17 -3.44 117.51 119.00 2rm4 h ILE 68 Ca -0.25 -2.41 -0.55 0.00 1.00 0.00 0.00 64.86 62.65 2rm4 h ILE 68 Cb 1.09 3.08 -0.40 0.00 -0.74 0.00 0.00 36.82 39.84 2rm4 h ILE 68 CO 1.05 0.68 -0.77 -1.61 0.00 0.00 0.00 178.15 177.50 2rm4 s GLU 69 N -2.60 0.38 0.82 2.37 2.02 -0.84 -5.02 118.70 115.83 2rm4 s GLU 69 Ca -0.14 -0.73 -0.12 0.00 0.02 0.00 0.00 54.97 54.00 2rm4 s GLU 69 Cb 0.01 -1.46 0.09 0.00 0.10 0.00 0.00 34.13 32.87 2rm4 s GLU 69 CO 0.82 -1.01 1.15 -1.25 0.02 0.00 0.00 175.26 174.99 2rm4 s PRO 70 N 1.92 1.70 0.58 0.39 0.04 -1.26 -2.36 135.00 136.00 2rm4 s PRO 70 Ca 0.09 1.51 -0.20 0.00 0.04 0.00 0.00 61.00 62.44 2rm4 s PRO 70 Cb -0.17 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2rm4 s PRO 70 CO -0.32 -2.12 1.28 0.00 0.04 0.00 0.00 177.00 175.88 2rm4 n ALA 71 N -3.57 1.25 -2.42 8.56 0.00 -1.26 -4.91 120.51 118.17 2rm4 n ALA 71 Ca 0.12 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 2rm4 n ALA 71 Cb 0.52 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 2rm4 n ALA 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2rm4 s LYS 72 N -2.96 4.29 -0.25 0.00 2.20 -1.26 -4.90 119.74 116.86 2rm4 s LYS 72 Ca 0.75 1.70 -0.06 0.00 -0.36 0.00 0.00 55.97 58.00 2rm4 s LYS 72 Cb -0.41 -3.65 -0.13 0.00 -1.51 0.00 0.00 37.83 32.12 2rm4 s LYS 72 CO 0.47 -0.57 -0.28 0.94 -0.36 0.00 0.00 175.35 175.55 2rm4 n GLN 73 N 5.82 0.58 -2.68 4.03 7.27 -1.26 -4.93 117.38 126.21 2rm4 n GLN 73 Ca 0.12 0.19 -0.42 0.00 0.07 0.00 0.00 57.00 56.96 2rm4 n GLN 73 Cb 0.45 -1.45 -0.03 0.00 2.41 0.00 0.00 30.24 31.63 2rm4 n GLN 73 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2rm4 s ASP 74 N -6.87 7.23 0.43 1.69 2.15 -1.26 -4.92 116.67 115.12 2rm4 s ASP 74 Ca -0.35 1.54 0.09 0.00 0.43 0.00 0.00 52.55 54.26 2rm4 s ASP 74 Cb 0.11 -2.56 0.92 0.00 -0.30 0.00 0.00 42.92 41.10 2rm4 s ASP 74 CO 0.51 -0.46 2.06 -0.07 -0.17 0.00 0.00 175.17 177.03 2rm4 h LEU 75 N 8.09 0.37 -2.79 -1.34 3.38 -2.04 -3.47 115.31 117.51 2rm4 h LEU 75 Ca -0.31 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.50 2rm4 h LEU 75 Cb 1.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2rm4 h LEU 75 CO 0.86 0.29 -0.52 -0.67 0.09 0.00 0.00 178.44 178.49 2rm4 n ASP 76 N -4.47 -6.93 -3.85 -0.43 -0.08 -1.26 -4.74 116.55 94.79 2rm4 n ASP 76 Ca 0.02 -0.10 -0.40 0.00 -1.51 0.00 0.00 54.79 52.80 2rm4 n ASP 76 Cb 0.08 -4.10 -0.06 0.00 2.34 0.00 0.00 41.12 39.39 2rm4 n ASP 76 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rm4 n GLY 77 N -1.14 2.08 2.41 0.27 0.00 -1.26 -4.14 105.19 103.41 2rm4 n GLY 77 Ca -0.05 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 2rm4 n GLY 77 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rm4 n HIS 78 N 9.26 -1.23 -0.26 1.61 8.25 -1.26 -4.83 115.22 126.76 2rm4 n HIS 78 Ca 0.48 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.94 2rm4 n HIS 78 Cb 0.42 -3.04 0.21 0.00 1.12 0.00 0.00 29.99 28.69 2rm4 n HIS 78 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2rm4 h THR 79 N 0.00 1.21 -2.16 1.59 2.02 -1.96 -3.44 112.91 110.17 2rm4 h THR 79 Ca -0.34 -0.41 -0.56 0.00 0.77 0.00 0.00 66.41 65.87 2rm4 h THR 79 Cb 1.23 0.04 -0.13 0.00 -1.74 0.00 0.00 68.15 67.54 2rm4 h THR 79 CO 0.41 0.21 -0.59 0.00 0.37 0.00 0.00 175.52 175.92 2rm4 s ALA 80 N -5.89 2.85 0.90 6.16 0.00 -1.26 -5.13 121.76 119.40 2rm4 s ALA 80 Ca -0.11 -2.01 -0.11 0.00 0.00 0.00 0.00 51.96 49.73 2rm4 s ALA 80 Cb 0.18 0.41 0.14 0.00 0.00 0.00 0.00 23.12 23.85 2rm4 s ALA 80 CO 0.79 -0.21 1.13 -2.30 0.00 0.00 0.00 175.76 175.18 2rm4 n PRO 81 N -0.86 -0.36 -0.09 0.00 -0.02 -1.26 -4.92 135.00 127.49 2rm4 n PRO 81 Ca -0.05 -0.04 -0.07 0.00 -2.02 0.00 0.00 63.50 61.33 2rm4 n PRO 81 Cb 0.67 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2rm4 n PRO 81 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2rm4 h PRO 82 N -1.74 0.27 -6.98 0.52 0.11 -2.00 -3.42 132.00 118.75 2rm4 h PRO 82 Ca -0.44 -0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.10 2rm4 h PRO 82 Cb 1.28 -0.06 0.14 0.00 0.11 0.00 0.00 31.00 32.47 2rm4 h PRO 82 CO 0.42 0.18 0.51 -2.30 -0.21 0.00 0.00 178.00 176.59 2rm4 n PRO 83 N -5.00 1.54 -4.43 1.05 -0.02 -1.26 -5.02 135.00 121.86 2rm4 n PRO 83 Ca 0.00 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.85 2rm4 n PRO 83 Cb 0.10 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 30.96 2rm4 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2rm4 s VAL 84 N -1.32 1.06 0.33 -1.45 0.11 -1.26 -5.03 120.40 112.85 2rm4 s VAL 84 Ca 0.72 -0.84 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 2rm4 s VAL 84 Cb -0.43 -0.94 0.17 0.00 -1.53 0.00 0.00 36.38 33.65 2rm4 s VAL 84 CO 0.49 0.10 1.89 0.58 -3.33 0.00 0.00 175.10 174.83 2rm4 h VAL 85 N 4.62 1.19 -0.78 2.04 2.07 -1.98 -2.87 116.25 120.54 2rm4 h VAL 85 Ca -0.36 -0.73 0.12 0.00 0.82 0.00 0.00 66.70 66.55 2rm4 h VAL 85 Cb 1.18 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2rm4 h VAL 85 CO 0.46 0.26 0.51 -1.13 0.02 0.00 0.00 177.57 177.69 2rm4 h ASN 86 N 0.55 0.53 -4.02 0.57 -0.73 -2.02 -3.42 115.58 107.04 2rm4 h ASN 86 Ca 0.12 0.02 -0.54 0.00 1.87 0.00 0.00 56.30 57.78 2rm4 h ASN 86 Cb 0.28 -0.09 0.12 0.00 0.27 0.00 0.00 38.32 38.90 2rm4 h ASN 86 CO 0.00 0.29 0.60 -0.75 -0.37 0.00 0.00 177.43 177.21 2rm4 s LYS 87 N -5.55 3.41 0.44 6.67 2.20 -1.09 -4.92 119.74 120.89 2rm4 s LYS 87 Ca -0.09 2.16 -0.26 0.00 -0.36 0.00 0.00 55.97 57.43 2rm4 s LYS 87 Cb 0.21 -2.38 -0.09 0.00 -1.51 0.00 0.00 37.83 34.06 2rm4 s LYS 87 CO 0.77 -0.95 1.43 -2.30 -0.36 0.00 0.00 175.35 173.94 2rm4 n PRO 88 N -0.71 2.27 -3.96 4.03 -0.02 -1.26 -4.99 135.00 130.36 2rm4 n PRO 88 Ca 0.08 0.81 -0.31 0.00 -2.02 0.00 0.00 63.50 62.06 2rm4 n PRO 88 Cb 0.45 -2.62 -0.15 0.00 -0.02 0.00 0.00 33.50 31.16 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 -1.18 1.98 0.02 3.45 -4.23 -1.26 -4.99 115.64 109.42 2rm4 s THR 89 Ca 0.60 -2.12 -0.26 0.00 -1.18 0.00 0.00 61.69 58.74 2rm4 s THR 89 Cb -0.46 -2.45 -0.17 0.00 1.34 0.00 0.00 72.50 70.76 2rm4 s THR 89 CO 0.58 -0.59 1.33 1.55 -0.54 0.00 0.00 174.62 176.95 2rm4 h PRO 90 N 7.72 -0.34 -4.41 3.99 0.13 -2.04 -3.45 132.00 133.60 2rm4 h PRO 90 Ca -0.07 0.02 -0.32 0.00 -0.87 0.00 0.00 66.00 64.77 2rm4 h PRO 90 Cb 1.02 0.08 -0.27 0.00 0.13 0.00 0.00 31.00 31.96 2rm4 h PRO 90 CO 0.51 -0.04 -0.75 0.54 -0.23 0.00 0.00 178.00 178.02 2rm4 s VAL 91 N -4.91 0.47 0.04 1.56 0.11 -1.26 -5.14 120.40 111.27 2rm4 s VAL 91 Ca -0.15 -0.43 -0.22 0.00 -2.93 0.00 0.00 61.98 58.25 2rm4 s VAL 91 Cb 0.03 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.38 2rm4 s VAL 91 CO 0.58 0.01 0.67 -0.75 -3.33 0.00 0.00 175.10 172.28 2rm4 s LYS 92 N -0.46 4.39 -0.46 1.54 2.20 -1.26 -5.03 119.74 120.66 2rm4 s LYS 92 Ca -0.00 0.89 -0.25 0.00 -0.36 0.00 0.00 55.97 56.24 2rm4 s LYS 92 Cb -0.04 -3.33 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 2rm4 s LYS 92 CO -0.00 0.40 0.90 -0.51 -0.36 0.00 0.00 175.35 175.77 2rm4 s LEU 93 N -0.36 4.06 0.48 5.43 1.43 -1.26 -5.02 118.68 123.43 2rm4 s LEU 93 Ca 0.34 0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.29 2rm4 s LEU 93 Cb -0.20 -3.15 -0.07 0.00 0.03 0.00 0.00 46.19 42.81 2rm4 s LEU 93 CO 0.20 -1.02 1.29 -2.16 0.23 0.00 0.00 176.35 174.90 2rm4 s PRO 94 N 3.65 3.55 0.69 1.29 0.04 -1.26 -4.80 135.00 138.16 2rm4 s PRO 94 Ca 0.36 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2rm4 s PRO 94 Cb -0.11 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2rm4 s PRO 94 CO 0.25 -0.82 0.00 0.72 0.04 0.00 0.00 177.00 177.20 2rm4 n HIS 95 N -0.55 -2.38 -4.44 0.56 8.25 -1.26 -4.76 115.22 110.64 2rm4 n HIS 95 Ca 0.08 0.61 -0.34 0.00 -0.26 0.00 0.00 57.72 57.80 2rm4 n HIS 95 Cb 0.45 -1.04 -0.11 0.00 1.12 0.00 0.00 29.99 30.42 2rm4 n HIS 95 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2rm4 s PHE 96 N -0.95 3.07 0.80 4.41 0.08 -1.26 -5.10 117.98 119.04 2rm4 s PHE 96 Ca 0.00 0.04 -0.12 0.00 0.12 0.00 0.00 56.93 56.97 2rm4 s PHE 96 Cb 0.00 -1.81 0.08 0.00 -0.57 0.00 0.00 43.02 40.72 2rm4 s PHE 96 CO 0.00 0.31 1.15 -1.12 -0.10 0.00 0.00 175.22 175.47 2rm4 s SER 97 N -0.55 3.83 0.39 1.36 0.01 -1.26 -4.89 113.70 112.59 2rm4 s SER 97 Ca 0.09 2.16 0.08 0.00 1.31 0.00 0.00 55.95 59.60 2rm4 s SER 97 Cb -0.12 -2.56 0.85 0.00 0.21 0.00 0.00 66.02 64.40 2rm4 s SER 97 CO 0.02 -2.50 1.99 0.78 0.41 0.00 0.00 173.24 173.94 2rm4 h ASN 98 N -1.04 0.53 -3.69 2.44 2.35 -2.01 -3.40 115.58 110.76 2rm4 h ASN 98 Ca -0.45 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.62 2rm4 h ASN 98 Cb 1.27 -0.11 -0.28 0.00 0.05 0.00 0.00 38.32 39.24 2rm4 h ASN 98 CO 0.47 0.35 -0.82 -0.63 -1.65 0.00 0.00 177.43 175.15 2rm4 s ILE 99 N -5.55 2.62 -0.20 2.81 -1.09 -1.26 -5.11 121.20 113.42 2rm4 s ILE 99 Ca -0.09 -0.85 -0.10 0.00 -2.23 0.00 0.00 60.65 57.39 2rm4 s ILE 99 Cb 0.19 -2.03 -0.05 0.00 -1.58 0.00 0.00 42.46 38.99 2rm4 s ILE 99 CO 0.76 0.56 0.12 -0.22 -1.23 0.00 0.00 174.94 174.93 2rm4 s LEU 100 N -0.04 4.18 0.00 2.97 2.96 -1.26 -5.17 118.68 122.32 2rm4 s LEU 100 Ca -0.05 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2rm4 s LEU 100 Cb -0.14 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.47 2rm4 s LEU 100 CO 0.04 0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.87