#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 1.68 -2.55 4.61 0.00 -1.96 -3.44 119.26 117.61 2rm4 h ALA 0 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2rm4 h ALA 0 Cb 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 17.52 2rm4 h ALA 0 CO 0.00 0.25 -0.25 -1.64 0.00 0.00 0.00 179.25 177.60 2rm4 s MET 1 N -5.06 0.78 -0.59 0.00 -1.94 -1.26 -5.11 119.30 106.13 2rm4 s MET 1 Ca -0.06 -0.46 0.05 0.00 -1.71 0.00 0.00 55.69 53.51 2rm4 s MET 1 Cb 0.16 0.34 0.19 0.00 2.01 0.00 0.00 34.83 37.53 2rm4 s MET 1 CO 0.72 -0.25 0.50 0.41 -0.01 0.00 0.00 175.02 176.39 2rm4 n GLY 2 N 0.69 3.52 3.74 -0.03 0.00 -1.26 -5.01 105.19 106.84 2rm4 n GLY 2 Ca -0.19 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.24 2rm4 n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rm4 s PRO 3 N -1.19 4.16 0.00 1.61 0.04 -1.26 -4.88 135.00 133.48 2rm4 s PRO 3 Ca 0.30 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.85 2rm4 s PRO 3 Cb 0.03 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2rm4 s PRO 3 CO -0.15 -0.62 0.68 0.25 0.04 0.00 0.00 177.00 177.20 2rm4 n THR 4 N 2.83 0.00 -2.79 1.26 -2.24 -1.26 -4.77 114.28 107.31 2rm4 n THR 4 Ca 0.10 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.50 2rm4 n THR 4 Cb 0.38 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.46 7.51 0.23 3.42 1.01 -1.26 -4.82 116.67 122.29 2rm4 s ASP 5 Ca 0.00 1.87 0.20 0.00 0.71 0.00 0.00 52.55 55.34 2rm4 s ASP 5 Cb 0.00 -2.59 0.93 0.00 1.01 0.00 0.00 42.92 42.27 2rm4 s ASP 5 CO 0.00 0.08 1.62 0.00 0.21 0.00 0.00 175.17 177.08 2rm4 n GLN 6 N 1.15 0.15 0.23 8.23 6.02 -1.26 -2.44 117.38 129.45 2rm4 n GLN 6 Ca -0.01 0.46 0.09 0.00 -0.01 0.00 0.00 57.00 57.53 2rm4 n GLN 6 Cb 0.48 -1.83 0.55 0.00 1.02 0.00 0.00 30.24 30.47 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 -2.02 -2.59 116.42 115.85 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 0.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.24 2rm4 h ASP 7 CO 0.00 0.22 0.00 0.79 -1.61 0.00 0.00 179.24 178.64 2rm4 n TRP 8 N -3.78 0.73 -1.70 0.28 5.03 -1.02 -4.84 117.44 112.14 2rm4 n TRP 8 Ca -0.02 0.24 -0.44 0.00 3.03 0.00 0.00 57.50 60.31 2rm4 n TRP 8 Cb 0.32 -0.89 -0.03 0.00 -1.03 0.00 0.00 31.31 29.69 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 0.39 -0.71 -0.99 2.08 -0.98 -0.68 119.36 116.35 2rm4 n ILE 9 Ca 0.05 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.26 2rm4 n ILE 9 Cb 0.34 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 37.52 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 3.06 0.99 3.86 7.39 0.00 0.30 -4.95 105.19 115.84 2rm4 n GLY 10 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.58 3.60 0.10 0.00 0.00 -1.05 -1.88 121.76 119.95 2rm4 s ALA 12 Ca 0.55 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.06 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 -0.77 -0.06 0.14 0.00 0.00 0.00 175.76 175.41 2rm4 s VAL 13 N 2.41 0.67 0.00 0.00 -7.23 -1.04 -0.08 120.40 115.13 2rm4 s VAL 13 Ca 0.25 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 2rm4 s VAL 13 Cb -0.16 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 2rm4 s VAL 13 CO 0.09 -0.84 -0.19 -0.55 -0.31 0.00 0.00 175.10 173.29 2rm4 s SER 14 N -3.05 2.29 -0.14 4.85 0.15 -0.39 -2.56 113.70 114.86 2rm4 s SER 14 Ca 0.13 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.40 2rm4 s SER 14 Cb 0.05 -0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.15 2rm4 s SER 14 CO -0.04 0.21 -0.18 -0.63 1.20 0.00 0.00 173.24 173.80 2rm4 s ILE 15 N -0.56 1.80 -0.42 6.45 -1.09 -0.55 -2.02 121.20 124.81 2rm4 s ILE 15 Ca 0.07 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.53 2rm4 s ILE 15 Cb -0.08 -1.63 0.02 0.00 -1.58 0.00 0.00 42.46 39.20 2rm4 s ILE 15 CO -0.00 0.50 0.37 0.00 -1.23 0.00 0.00 174.94 174.58 2rm4 s ALA 16 N 1.12 3.45 0.41 9.38 0.00 -0.43 -2.59 121.76 133.11 2rm4 s ALA 16 Ca -0.02 -1.63 0.05 0.00 0.00 0.00 0.00 51.96 50.36 2rm4 s ALA 16 Cb -0.14 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2rm4 s ALA 16 CO -0.06 -1.54 0.59 0.00 0.00 0.00 0.00 175.76 174.75 2rm4 n ASP 18 N -1.90 -1.70 -0.14 0.00 8.00 -1.20 -4.21 116.55 115.41 2rm4 n ASP 18 Ca 0.03 -0.04 0.15 0.00 0.71 0.00 0.00 54.79 55.64 2rm4 n ASP 18 Cb 0.58 -1.20 0.51 0.00 -0.02 0.00 0.00 41.12 41.00 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 -2.34 0.39 0.00 -1.24 5.08 -1.96 0.22 114.58 114.72 2rm4 h GLU 19 Ca -0.56 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.70 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 0.44 0.26 -0.39 0.28 -1.00 0.00 0.00 179.01 178.60 2rm4 h VAL 20 N 0.40 0.82 0.00 3.13 2.07 -2.01 -3.00 116.25 117.65 2rm4 h VAL 20 Ca 0.35 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2rm4 h VAL 20 Cb 0.79 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2rm4 h VAL 20 CO -0.10 0.38 -0.90 0.18 0.02 0.00 0.00 177.57 177.14 2rm4 n LEU 21 N -3.41 0.73 0.00 2.57 4.77 0.68 -5.06 117.00 117.28 2rm4 n LEU 21 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2rm4 n LEU 21 Cb 0.56 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2rm4 n LEU 21 CO 0.37 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2rm4 n GLY 22 N 1.28 0.61 3.04 -0.72 0.00 -0.72 -4.81 105.19 103.86 2rm4 n GLY 22 Ca 0.01 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 0.15 1.61 1.01 -1.26 -1.87 120.40 120.89 2rm4 s VAL 23 Ca 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.59 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 0.25 -0.12 0.72 0.00 0.00 0.00 175.10 175.95 2rm4 s PHE 24 N -0.09 1.35 0.03 5.22 -0.12 -1.07 -2.39 117.98 120.90 2rm4 s PHE 24 Ca 0.01 -0.68 0.02 0.00 -0.05 0.00 0.00 56.93 56.24 2rm4 s PHE 24 Cb -0.06 -0.68 -0.02 0.00 -0.63 0.00 0.00 43.02 41.63 2rm4 s PHE 24 CO -0.00 0.13 -0.07 -0.65 -0.05 0.00 0.00 175.22 174.58 2rm4 s GLN 25 N -3.42 0.49 -0.04 1.99 -0.21 0.19 -1.48 119.66 117.18 2rm4 s GLN 25 Ca 0.15 -0.57 -0.31 0.00 0.02 0.00 0.00 55.36 54.65 2rm4 s GLN 25 Cb -0.00 -0.32 0.13 0.00 1.00 0.00 0.00 33.01 33.81 2rm4 s GLN 25 CO 0.02 0.07 1.31 0.20 -2.12 0.00 0.00 175.29 174.77 2rm4 s GLY 26 N -1.10 -0.42 -0.00 3.09 0.00 -1.06 -2.33 107.32 105.50 2rm4 s GLY 26 Ca -0.06 0.79 -0.19 0.00 0.00 0.00 0.00 44.72 45.25 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 4.43 0.27 0.66 1.43 -1.25 -2.48 118.68 118.80 2rm4 s LEU 27 Ca 0.14 1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 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 0.15 1.34 -0.63 0.23 0.00 0.00 176.35 177.39 2rm4 s ILE 28 N -0.36 2.85 -0.11 -0.59 1.01 -0.79 -1.83 121.20 121.38 2rm4 s ILE 28 Ca 0.29 0.77 0.13 0.00 0.00 0.00 0.00 60.65 61.84 2rm4 s ILE 28 Cb -0.18 -3.49 -0.18 0.00 0.01 0.00 0.00 42.46 38.62 2rm4 s ILE 28 CO 0.16 0.15 0.11 1.17 0.00 0.00 0.00 174.94 176.53 2rm4 n LYS 29 N 1.70 1.48 -3.55 2.79 4.81 0.09 0.11 118.16 125.59 2rm4 n LYS 29 Ca 0.03 -0.04 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 2rm4 n LYS 29 Cb 0.42 -1.35 -0.06 0.00 0.02 0.00 0.00 35.03 34.06 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 -2.49 1.02 -0.01 1.64 0.74 -1.05 -4.78 119.66 114.73 2rm4 s GLN 30 Ca -0.06 0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.51 2rm4 s GLN 30 Cb 0.05 0.48 0.01 0.00 1.10 0.00 0.00 33.01 34.64 2rm4 s GLN 30 CO 0.56 -0.32 -0.01 0.42 -0.55 0.00 0.00 175.29 175.40 2rm4 s ILE 31 N -1.33 0.09 0.07 -2.34 1.01 -1.26 -1.26 121.20 116.18 2rm4 s ILE 31 Ca -0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 2rm4 s ILE 31 Cb -0.01 -0.11 -0.00 0.00 0.01 0.00 0.00 42.46 42.35 2rm4 s ILE 31 CO 0.08 0.05 0.18 -0.94 0.00 0.00 0.00 174.94 174.31 2rm4 s SER 32 N 0.19 0.10 0.62 3.58 1.04 -0.82 -4.92 113.70 113.50 2rm4 s SER 32 Ca -0.02 -0.56 0.31 0.00 0.48 0.00 0.00 55.95 56.17 2rm4 s SER 32 Cb -0.03 0.31 1.72 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 3.04 1.66 0.00 5.32 0.00 -1.91 -1.44 119.26 125.92 2rm4 h ALA 33 Ca -0.33 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 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 -0.33 -1.59 0.39 0.00 0.00 0.00 179.25 178.25 2rm4 n GLU 34 N -3.51 0.63 -3.55 0.00 -0.58 -1.26 -4.86 120.64 107.52 2rm4 n GLU 34 Ca 0.01 0.16 -0.12 0.00 -0.42 0.00 0.00 57.16 56.80 2rm4 n GLU 34 Cb 0.35 -1.75 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 2rm4 n GLU 34 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2rm4 s GLU 35 N -2.90 1.12 -0.05 3.49 -1.05 -0.54 -3.32 118.70 115.45 2rm4 s GLU 35 Ca -0.04 -0.49 0.03 0.00 -0.15 0.00 0.00 54.97 54.32 2rm4 s GLU 35 Cb 0.09 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 34.26 2rm4 s GLU 35 CO 0.82 -0.45 -0.14 0.42 0.95 0.00 0.00 175.26 176.86 2rm4 s ILE 36 N -3.38 3.10 -0.09 1.83 -1.09 -0.92 -1.94 121.20 118.72 2rm4 s ILE 36 Ca -0.00 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 57.75 2rm4 s ILE 36 Cb 0.00 -2.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.67 2rm4 s ILE 36 CO -0.09 0.59 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.10 2rm4 s THR 37 N -0.68 1.83 0.29 2.92 2.01 -0.39 -2.39 115.64 119.23 2rm4 s THR 37 Ca 0.10 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.23 2rm4 s THR 37 Cb -0.11 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 2rm4 s THR 37 CO 0.01 0.51 0.11 0.27 -0.69 0.00 0.00 174.62 174.83 2rm4 s ILE 38 N 0.37 0.59 0.25 1.82 -4.36 -0.73 -0.73 121.20 118.40 2rm4 s ILE 38 Ca -0.16 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.29 2rm4 s ILE 38 Cb -0.17 -2.61 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 2rm4 s ILE 38 CO 0.07 0.00 -0.07 0.68 0.24 0.00 0.00 174.94 175.86 2rm4 s VAL 39 N -3.61 1.56 -0.87 8.37 -7.23 -0.76 -1.79 120.40 116.07 2rm4 s VAL 39 Ca 0.36 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.35 2rm4 s VAL 39 Cb 0.07 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 2rm4 s VAL 39 CO 0.15 -0.40 0.71 0.54 -0.31 0.00 0.00 175.10 175.79 2rm4 n ARG 40 N -0.49 -1.43 -2.11 4.82 1.74 -0.99 -3.86 116.66 114.34 2rm4 n ARG 40 Ca -0.06 1.03 -0.42 0.00 -0.77 0.00 0.00 57.85 57.63 2rm4 n ARG 40 Cb 0.63 -4.48 -0.03 0.00 -1.02 0.00 0.00 32.46 27.55 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 3.62 -0.11 7.54 0.00 -1.25 -4.71 121.76 123.74 2rm4 s ALA 41 Ca 0.14 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.16 2rm4 s ALA 41 Cb -0.04 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2rm4 s ALA 41 CO 0.81 -0.89 -0.14 -0.06 0.00 0.00 0.00 175.76 175.48 2rm4 s PHE 42 N 2.11 2.76 0.01 0.00 0.40 -0.98 -2.53 117.98 119.74 2rm4 s PHE 42 Ca 0.67 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 56.47 2rm4 s PHE 42 Cb -0.36 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 2rm4 s PHE 42 CO 0.29 -0.13 -0.08 0.50 0.70 0.00 0.00 175.22 176.51 2rm4 s ARG 43 N 0.07 0.56 -1.54 0.44 3.52 -0.55 -0.64 118.95 120.82 2rm4 s ARG 43 Ca -0.06 -0.44 -0.14 0.00 -0.13 0.00 0.00 55.73 54.96 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 0.91 0.09 -0.81 0.00 0.00 175.30 175.66 2rm4 n ASN 44 N 2.37 -4.64 -1.61 -2.12 5.03 -1.01 -1.17 115.26 112.12 2rm4 n ASN 44 Ca -0.16 -0.75 -0.19 0.00 0.87 0.00 0.00 54.58 54.34 2rm4 n ASN 44 Cb 0.57 -3.72 -0.07 0.00 -1.02 0.00 0.00 39.78 35.54 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 -1.61 1.36 3.06 7.41 0.00 -1.26 -4.96 105.19 109.19 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 0.21 1.61 1.01 -0.31 -5.14 120.40 115.14 2rm4 s VAL 46 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 2rm4 s VAL 46 Cb 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.74 2rm4 s VAL 46 CO 0.00 -0.52 1.25 -2.84 0.00 0.00 0.00 175.10 172.99 2rm4 s PRO 47 N -1.88 4.45 0.43 2.72 0.02 -1.26 -1.48 135.00 138.00 2rm4 s PRO 47 Ca -0.11 1.98 -0.22 0.00 0.02 0.00 0.00 61.00 62.67 2rm4 s PRO 47 Cb -0.06 -3.20 -0.10 0.00 0.02 0.00 0.00 34.50 31.16 2rm4 s PRO 47 CO -0.02 -0.14 0.98 -0.51 -0.33 0.00 0.00 177.00 176.99 2rm4 s LEU 48 N -0.44 3.97 0.72 -5.54 1.43 -1.05 -4.86 118.68 112.91 2rm4 s LEU 48 Ca 0.53 1.80 -0.15 0.00 -1.03 0.00 0.00 54.13 55.28 2rm4 s LEU 48 Cb -0.35 -4.46 0.04 0.00 0.03 0.00 0.00 46.19 41.44 2rm4 s LEU 48 CO 0.39 -0.45 1.20 -0.60 0.23 0.00 0.00 176.35 177.12 2rm4 s ARG 49 N -3.02 2.19 -1.10 1.70 3.52 -1.26 -3.61 118.95 117.37 2rm4 s ARG 49 Ca 0.62 1.75 -0.11 0.00 -0.13 0.00 0.00 55.73 57.86 2rm4 s ARG 49 Cb -0.13 -1.84 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 2rm4 s ARG 49 CO 0.17 -1.80 0.87 1.63 -0.81 0.00 0.00 175.30 175.37 2rm4 n LYS 50 N -2.67 -2.14 0.15 5.12 4.76 -1.26 -4.85 118.16 117.26 2rm4 n LYS 50 Ca 0.13 0.72 0.17 0.00 -2.87 0.00 0.00 58.31 56.46 2rm4 n LYS 50 Cb 0.50 -5.22 0.75 0.00 -1.84 0.00 0.00 35.03 29.22 2rm4 n LYS 50 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2rm4 h GLN 51 N -1.42 0.00 0.00 1.97 4.20 -1.91 0.16 115.11 118.11 2rm4 h GLN 51 Ca -0.63 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.08 2rm4 h GLN 51 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2rm4 h GLN 51 CO 0.46 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.71 2rm4 n ASN 52 N -4.09 0.41 -4.76 1.46 3.02 -1.26 -2.35 115.26 107.68 2rm4 n ASN 52 Ca 0.03 0.59 -0.40 0.00 -0.03 0.00 0.00 54.58 54.78 2rm4 n ASN 52 Cb 0.38 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 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 -3.17 3.34 0.18 5.41 0.00 0.57 -4.77 121.76 123.33 2rm4 s ALA 53 Ca 0.06 0.89 -0.17 0.00 0.00 0.00 0.00 51.96 52.74 2rm4 s ALA 53 Cb 0.10 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 2rm4 s ALA 53 CO 0.38 -0.22 0.64 -1.83 0.00 0.00 0.00 175.76 174.73 2rm4 s GLU 54 N -1.68 4.12 -0.23 0.00 -1.05 -1.26 -4.21 118.70 114.39 2rm4 s GLU 54 Ca 0.48 0.68 -0.09 0.00 -0.15 0.00 0.00 54.97 55.89 2rm4 s GLU 54 Cb -0.31 -2.91 -0.04 0.00 -0.44 0.00 0.00 34.13 30.43 2rm4 s GLU 54 CO 0.39 0.44 0.11 0.08 0.95 0.00 0.00 175.26 177.23 2rm4 s VAL 55 N -1.49 4.94 -0.22 1.83 1.01 -0.74 -4.96 120.40 120.77 2rm4 s VAL 55 Ca 0.40 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2rm4 s VAL 55 Cb -0.16 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 32.99 2rm4 s VAL 55 CO 0.20 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.89 2rm4 s VAL 56 N 1.00 1.75 -0.04 2.92 1.01 -1.26 -1.78 120.40 124.00 2rm4 s VAL 56 Ca 0.06 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.87 2rm4 s VAL 56 Cb -0.14 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2rm4 s VAL 56 CO 0.03 0.08 -0.13 -0.76 0.00 0.00 0.00 175.10 174.32 2rm4 s LEU 57 N 1.32 1.82 0.32 3.92 1.43 -1.01 -4.96 118.68 121.53 2rm4 s LEU 57 Ca -0.04 -0.29 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 2rm4 s LEU 57 Cb -0.18 -0.80 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 2rm4 s LEU 57 CO -0.07 0.10 1.08 -0.54 0.23 0.00 0.00 176.35 177.15 2rm4 s LYS 58 N 0.20 4.50 0.48 1.70 1.02 -1.26 -2.16 119.74 124.22 2rm4 s LYS 58 Ca -0.05 1.70 0.20 0.00 0.02 0.00 0.00 55.97 57.84 2rm4 s LYS 58 Cb -0.11 -2.99 1.22 0.00 -0.52 0.00 0.00 37.83 35.43 2rm4 s LYS 58 CO 0.02 0.11 1.97 0.00 -0.92 0.00 0.00 175.35 176.53 2rm4 h THR 60 N 0.20 0.77 0.00 0.00 1.35 -1.91 -1.69 112.91 111.63 2rm4 h THR 60 Ca 0.29 -0.52 -0.18 0.00 -0.55 0.00 0.00 66.41 65.45 2rm4 h THR 60 Cb 0.85 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 2rm4 h THR 60 CO -0.05 0.13 -1.33 0.44 -0.25 0.00 0.00 175.52 174.45 2rm4 h ASP 61 N 0.00 0.00 -3.61 5.36 3.32 -1.52 -3.46 116.42 116.51 2rm4 h ASP 61 Ca -0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2rm4 h ASP 61 Cb 0.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2rm4 h ASP 61 CO 0.02 0.66 0.26 -0.63 -1.72 0.00 0.00 179.24 177.82 2rm4 s ILE 62 N -2.87 4.27 -0.29 0.35 1.01 -0.64 -3.21 121.20 119.83 2rm4 s ILE 62 Ca -0.02 1.88 0.17 0.00 0.00 0.00 0.00 60.65 62.68 2rm4 s ILE 62 Cb 0.08 -4.23 -0.24 0.00 0.01 0.00 0.00 42.46 38.09 2rm4 s ILE 62 CO 0.81 0.49 0.50 0.54 0.00 0.00 0.00 174.94 177.28 2rm4 n ARG 63 N 1.68 0.85 -3.55 2.79 5.12 -0.57 -4.71 116.66 118.27 2rm4 n ARG 63 Ca -0.04 -0.10 -0.17 0.00 -1.93 0.00 0.00 57.85 55.61 2rm4 n ARG 63 Cb 0.48 -1.37 -0.06 0.00 -1.16 0.00 0.00 32.46 30.35 2rm4 n ARG 63 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2rm4 s SER 64 N -3.50 -0.66 0.01 0.55 0.15 -1.11 -4.71 113.70 104.42 2rm4 s SER 64 Ca -0.02 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2rm4 s SER 64 Cb 0.12 0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 65.14 2rm4 s SER 64 CO 0.71 -0.52 -0.02 -0.63 1.20 0.00 0.00 173.24 173.98 2rm4 s ILE 65 N -0.85 0.09 -0.02 6.45 1.01 -1.26 -1.31 121.20 125.31 2rm4 s ILE 65 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2rm4 s ILE 65 Cb -0.01 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.31 2rm4 s ILE 65 CO 0.08 -0.26 0.00 1.51 0.00 0.00 0.00 174.94 176.26 2rm4 s ASP 66 N -0.80 0.31 -0.35 3.58 -4.77 -0.86 -5.01 116.67 108.78 2rm4 s ASP 66 Ca -0.08 -0.02 -0.29 0.00 -3.30 0.00 0.00 52.55 48.86 2rm4 s ASP 66 Cb -0.06 -0.15 0.01 0.00 -1.09 0.00 0.00 42.92 41.64 2rm4 s ASP 66 CO -0.00 -0.07 1.23 -0.76 0.70 0.00 0.00 175.17 176.26 2rm4 s LEU 67 N 0.77 3.81 -0.05 2.11 1.43 -1.26 -1.26 118.68 124.23 2rm4 s LEU 67 Ca -0.07 0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 53.77 2rm4 s LEU 67 Cb -0.11 -3.54 -0.25 0.00 0.03 0.00 0.00 46.19 42.32 2rm4 s LEU 67 CO -0.02 -1.11 0.99 0.40 0.23 0.00 0.00 176.35 176.85 2rm4 h ILE 68 N 6.02 1.54 -2.88 -0.59 2.04 -0.82 -3.43 117.51 119.39 2rm4 h ILE 68 Ca -0.24 -2.12 -0.56 0.00 1.00 0.00 0.00 64.86 62.94 2rm4 h ILE 68 Cb 1.08 2.88 -0.40 0.00 -0.74 0.00 0.00 36.82 39.64 2rm4 h ILE 68 CO 1.06 0.59 -0.78 -1.61 0.00 0.00 0.00 178.15 177.41 2rm4 s GLU 69 N -2.92 0.44 0.32 2.37 2.02 -0.86 -5.02 118.70 115.05 2rm4 s GLU 69 Ca -0.15 -0.85 -0.29 0.00 0.02 0.00 0.00 54.97 53.70 2rm4 s GLU 69 Cb 0.01 -1.48 -0.11 0.00 0.10 0.00 0.00 34.13 32.66 2rm4 s GLU 69 CO 0.77 -1.04 1.41 -2.14 0.02 0.00 0.00 175.26 174.28 2rm4 s PRO 70 N 1.76 4.24 0.19 0.39 0.02 -1.26 -2.53 135.00 137.81 2rm4 s PRO 70 Ca 0.11 2.37 0.25 0.00 0.02 0.00 0.00 61.00 63.75 2rm4 s PRO 70 Cb -0.18 -3.05 0.90 0.00 0.02 0.00 0.00 34.50 32.20 2rm4 s PRO 70 CO -0.27 -0.38 1.76 0.00 -0.33 0.00 0.00 177.00 177.77 2rm4 n ALA 71 N 1.17 2.06 -0.10 -1.55 0.00 -1.26 -3.84 120.51 116.98 2rm4 n ALA 71 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2rm4 n ALA 71 Cb 0.40 -1.43 0.43 0.00 0.00 0.00 0.00 19.45 18.85 2rm4 n ALA 71 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2rm4 h LYS 72 N 0.00 0.56 0.09 0.00 1.57 -1.92 -2.99 116.57 113.89 2rm4 h LYS 72 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2rm4 h LYS 72 Cb 0.57 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2rm4 h LYS 72 CO 0.00 0.37 -0.07 0.37 -0.57 0.00 0.00 179.45 179.55 2rm4 h GLN 73 N 0.58 -0.16 -0.14 3.15 4.15 -1.77 -2.20 115.11 118.71 2rm4 h GLN 73 Ca 0.25 0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.53 2rm4 h GLN 73 Cb 0.27 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2rm4 h GLN 73 CO -0.07 -0.11 -0.58 0.38 -1.93 0.00 0.00 178.83 176.52 2rm4 h ASP 74 N -0.17 0.50 -0.58 -0.69 2.03 -1.81 -3.15 116.42 112.55 2rm4 h ASP 74 Ca -0.00 -0.28 -0.03 0.00 -0.73 0.00 0.00 57.03 56.00 2rm4 h ASP 74 Cb 0.15 -0.14 -0.03 0.00 -0.83 0.00 0.00 39.33 38.48 2rm4 h ASP 74 CO -0.01 0.97 0.28 -0.07 -1.03 0.00 0.00 179.24 179.38 2rm4 h LEU 75 N 0.34 0.79 0.00 0.15 3.38 -1.35 -3.47 115.31 115.14 2rm4 h LEU 75 Ca -0.00 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2rm4 h LEU 75 Cb 1.11 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2rm4 h LEU 75 CO 0.10 0.68 0.17 -0.90 0.09 0.00 0.00 178.44 178.59 2rm4 n ASP 76 N -4.34 -0.83 -0.00 -0.43 5.68 -0.85 -5.00 116.55 110.77 2rm4 n ASP 76 Ca 0.05 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 2rm4 n ASP 76 Cb 0.14 1.37 0.00 0.00 -1.14 0.00 0.00 41.12 41.49 2rm4 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rm4 n GLY 77 N -0.25 0.97 3.42 6.12 0.00 -1.26 -4.42 105.19 109.77 2rm4 n GLY 77 Ca -0.02 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.01 2.92 0.17 1.61 3.76 -1.26 -5.07 115.29 115.41 2rm4 s HIS 78 Ca 0.00 -0.52 0.06 0.00 -0.15 0.00 0.00 55.06 54.46 2rm4 s HIS 78 Cb 0.00 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 2rm4 s HIS 78 CO 0.00 -0.17 -0.13 0.95 -0.85 0.00 0.00 174.74 174.54 2rm4 s THR 79 N 0.47 1.49 -0.11 1.30 -4.23 -1.26 -5.07 115.64 108.23 2rm4 s THR 79 Ca -0.06 -2.08 -0.27 0.00 -1.18 0.00 0.00 61.69 58.09 2rm4 s THR 79 Cb -0.15 -1.90 -0.27 0.00 1.34 0.00 0.00 72.50 71.53 2rm4 s THR 79 CO 0.04 -0.61 0.83 0.00 -0.54 0.00 0.00 174.62 174.33 2rm4 h ALA 80 N 2.79 -0.01 -2.13 3.99 0.00 -2.00 -3.46 119.26 118.44 2rm4 h ALA 80 Ca -0.38 -0.52 -0.45 0.00 0.00 0.00 0.00 54.91 53.56 2rm4 h ALA 80 Cb 1.21 0.02 0.22 0.00 0.00 0.00 0.00 17.79 19.23 2rm4 h ALA 80 CO 0.60 0.06 -0.02 -2.30 0.00 0.00 0.00 179.25 177.60 2rm4 n PRO 81 N -4.53 -2.21 -0.79 0.00 -0.02 -1.26 -4.95 135.00 121.24 2rm4 n PRO 81 Ca -0.11 -0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 60.45 2rm4 n PRO 81 Cb 0.53 -2.18 0.16 0.00 -0.02 0.00 0.00 33.50 31.99 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 -4.40 1.18 0.77 0.52 0.04 -1.26 -4.94 135.00 126.91 2rm4 s PRO 82 Ca 0.68 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 2rm4 s PRO 82 Cb -0.25 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 32.60 2rm4 s PRO 82 CO 0.64 -2.49 1.21 -0.35 0.04 0.00 0.00 177.00 176.05 2rm4 n PRO 83 N -4.13 0.38 -0.36 0.56 -0.04 -1.26 -4.90 135.00 125.25 2rm4 n PRO 83 Ca 0.11 0.20 -0.01 0.00 -0.04 0.00 0.00 63.50 63.76 2rm4 n PRO 83 Cb 0.52 -2.45 0.14 0.00 -0.04 0.00 0.00 33.50 31.67 2rm4 n PRO 83 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2rm4 h VAL 84 N -0.60 1.23 -4.13 0.52 2.07 -2.03 -3.42 116.25 109.90 2rm4 h VAL 84 Ca -0.47 -0.45 -0.52 0.00 0.82 0.00 0.00 66.70 66.08 2rm4 h VAL 84 Cb 1.31 -0.18 -0.26 0.00 -1.52 0.00 0.00 31.29 30.64 2rm4 h VAL 84 CO 0.47 0.24 -0.82 0.68 0.02 0.00 0.00 177.57 178.16 2rm4 s VAL 85 N -6.07 1.42 0.24 2.57 -7.23 -1.26 -5.14 120.40 104.92 2rm4 s VAL 85 Ca -0.13 -1.08 -0.06 0.00 -1.81 0.00 0.00 61.98 58.90 2rm4 s VAL 85 Cb 0.18 -1.24 0.02 0.00 0.56 0.00 0.00 36.38 35.90 2rm4 s VAL 85 CO 0.81 0.14 0.43 -0.46 -0.31 0.00 0.00 175.10 175.72 2rm4 n ASN 86 N 1.94 -1.24 -4.68 4.85 6.94 -1.26 -5.16 115.26 116.65 2rm4 n ASN 86 Ca -0.17 -2.11 -0.30 0.00 -0.02 0.00 0.00 54.58 51.98 2rm4 n ASN 86 Cb 0.54 2.14 0.16 0.00 -2.36 0.00 0.00 39.78 40.26 2rm4 n ASN 86 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2rm4 s LYS 87 N -2.25 0.97 0.50 -3.83 1.02 -1.26 -4.94 119.74 109.96 2rm4 s LYS 87 Ca 0.14 1.05 -0.23 0.00 0.02 0.00 0.00 55.97 56.95 2rm4 s LYS 87 Cb -0.02 -1.76 -0.07 0.00 -0.52 0.00 0.00 37.83 35.46 2rm4 s LYS 87 CO 0.10 -2.50 1.27 -2.30 -0.92 0.00 0.00 175.35 171.00 2rm4 n PRO 88 N -4.09 1.70 -3.95 -1.68 -0.02 -1.26 -4.99 135.00 120.71 2rm4 n PRO 88 Ca 0.08 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.87 2rm4 n PRO 88 Cb 0.54 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.28 1.93 0.58 3.45 -4.23 -1.26 -4.97 115.64 109.86 2rm4 s THR 89 Ca 0.67 -2.08 0.28 0.00 -1.18 0.00 0.00 61.69 59.39 2rm4 s THR 89 Cb -0.45 -2.41 0.35 0.00 1.34 0.00 0.00 72.50 71.32 2rm4 s THR 89 CO 0.53 -0.59 2.18 -0.65 -0.54 0.00 0.00 174.62 175.54 2rm4 h PRO 90 N 7.74 0.00 -5.01 3.99 0.11 -2.06 -3.41 132.00 133.36 2rm4 h PRO 90 Ca -0.07 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.62 2rm4 h PRO 90 Cb 1.02 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.85 2rm4 h PRO 90 CO 0.50 0.00 -0.79 0.54 -0.21 0.00 0.00 178.00 178.04 2rm4 s VAL 91 N -4.68 0.90 -0.08 3.15 0.11 -1.26 -5.14 120.40 113.40 2rm4 s VAL 91 Ca -0.05 -0.61 -0.05 0.00 -2.93 0.00 0.00 61.98 58.35 2rm4 s VAL 91 Cb 0.15 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2rm4 s VAL 91 CO 0.56 0.17 0.12 -0.54 -3.33 0.00 0.00 175.10 172.08 2rm4 s LYS 92 N -0.51 3.33 0.31 1.54 1.02 -1.26 -5.09 119.74 119.08 2rm4 s LYS 92 Ca 0.03 -0.25 -0.28 0.00 0.02 0.00 0.00 55.97 55.49 2rm4 s LYS 92 Cb -0.05 -3.07 -0.09 0.00 -0.52 0.00 0.00 37.83 34.09 2rm4 s LYS 92 CO -0.00 0.73 1.03 -0.51 -0.92 0.00 0.00 175.35 175.68 2rm4 s LEU 93 N -1.29 4.44 0.54 3.17 1.02 -1.26 -5.00 118.68 120.30 2rm4 s LEU 93 Ca 0.18 2.08 -0.22 0.00 0.02 0.00 0.00 54.13 56.20 2rm4 s LEU 93 Cb -0.12 -3.82 -0.05 0.00 0.02 0.00 0.00 46.19 42.22 2rm4 s LEU 93 CO 0.08 -0.15 1.31 -2.16 0.02 0.00 0.00 176.35 175.44 2rm4 s PRO 94 N -1.73 3.21 -0.08 1.29 0.04 -1.26 -5.02 135.00 131.44 2rm4 s PRO 94 Ca 0.48 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.66 2rm4 s PRO 94 Cb -0.26 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.04 2rm4 s PRO 94 CO 0.33 -1.09 -0.21 -3.38 0.04 0.00 0.00 177.00 172.69 2rm4 s HIS 95 N -1.38 2.27 0.19 0.56 -3.43 -1.26 -5.02 115.29 107.22 2rm4 s HIS 95 Ca 0.71 -0.87 -0.12 0.00 -0.80 0.00 0.00 55.06 53.99 2rm4 s HIS 95 Cb -0.37 -1.53 0.11 0.00 -1.43 0.00 0.00 32.58 29.36 2rm4 s HIS 95 CO 0.44 -0.35 1.82 0.35 -2.00 0.00 0.00 174.74 175.00 2rm4 h PHE 96 N 6.63 0.88 -3.48 0.38 3.57 -1.97 -3.44 116.94 119.51 2rm4 h PHE 96 Ca -0.24 -0.01 -0.35 0.00 3.53 0.00 0.00 57.97 60.90 2rm4 h PHE 96 Cb 1.22 -0.29 -0.16 0.00 2.79 0.00 0.00 35.95 39.51 2rm4 h PHE 96 CO 0.46 0.61 -0.73 -1.54 -2.23 0.00 0.00 178.31 174.89 2rm4 s SER 97 N -5.92 1.79 0.41 0.41 1.04 -1.26 -5.03 113.70 105.14 2rm4 s SER 97 Ca -0.13 -0.92 0.09 0.00 0.48 0.00 0.00 55.95 55.47 2rm4 s SER 97 Cb 0.14 -0.02 0.91 0.00 0.10 0.00 0.00 66.02 67.14 2rm4 s SER 97 CO 0.78 -0.27 2.01 0.78 0.98 0.00 0.00 173.24 177.52 2rm4 h ASN 98 N 3.11 0.46 -3.43 7.02 -0.26 -2.05 -3.40 115.58 117.03 2rm4 h ASN 98 Ca -0.37 -0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 54.70 2rm4 h ASN 98 Cb 1.19 -0.10 -0.28 0.00 -1.06 0.00 0.00 38.32 38.07 2rm4 h ASN 98 CO 0.58 0.31 -0.79 -0.63 -1.06 0.00 0.00 177.43 175.84 2rm4 s ILE 99 N -5.48 2.81 0.26 2.81 1.01 -1.26 -5.01 121.20 116.33 2rm4 s ILE 99 Ca -0.08 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 2rm4 s ILE 99 Cb 0.19 -2.15 0.22 0.00 0.01 0.00 0.00 42.46 40.73 2rm4 s ILE 99 CO 0.74 0.54 1.89 -0.07 0.00 0.00 0.00 174.94 178.05 2rm4 h LEU 100 N 6.54 1.01 0.00 2.97 -0.00 -2.03 -3.50 115.31 120.29 2rm4 h LEU 100 Ca -0.27 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 2rm4 h LEU 100 Cb 1.21 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 2rm4 h LEU 100 CO 0.53 0.80 0.00 0.61 -0.00 0.00 0.00 178.44 180.38