#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a24 s THR 7 N 0.00 1.95 0.03 -0.18 2.01 -1.26 -1.54 115.64 116.66 2a24 s THR 7 Ca 0.00 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 2a24 s THR 7 Cb 0.00 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 2a24 s THR 7 CO 0.00 0.54 0.01 0.72 -0.69 0.00 0.00 174.62 175.20 2a24 s PHE 8 N -0.11 0.30 0.07 4.92 -0.12 -1.01 -5.00 117.98 117.03 2a24 s PHE 8 Ca -0.04 -0.65 -0.26 0.00 -0.05 0.00 0.00 56.93 55.93 2a24 s PHE 8 Cb -0.14 -0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 41.97 2a24 s PHE 8 CO 0.04 -0.29 0.81 -1.17 -0.05 0.00 0.00 175.22 174.55 2a24 s LEU 9 N -2.02 4.47 -0.27 -1.99 1.98 -1.26 -1.85 118.68 117.73 2a24 s LEU 9 Ca -0.07 1.53 -0.01 0.00 -2.89 0.00 0.00 54.13 52.70 2a24 s LEU 9 Cb -0.03 -3.31 0.09 0.00 0.66 0.00 0.00 46.19 43.60 2a24 s LEU 9 CO -0.04 0.01 0.06 -0.55 -1.89 0.00 0.00 176.35 173.94 2a24 s SER 10 N -0.13 3.80 -0.20 3.68 0.15 0.35 -2.05 113.70 119.30 2a24 s SER 10 Ca 0.40 -1.42 -0.17 0.00 0.70 0.00 0.00 55.95 55.47 2a24 s SER 10 Cb -0.21 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 2a24 s SER 10 CO 0.25 -0.36 0.43 -0.60 1.20 0.00 0.00 173.24 174.16 2a24 s ARG 11 N 1.60 4.18 -0.01 5.44 3.52 -0.02 -1.20 118.95 132.46 2a24 s ARG 11 Ca 0.05 0.26 0.06 0.00 -0.13 0.00 0.00 55.73 55.98 2a24 s ARG 11 Cb -0.18 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 2a24 s ARG 11 CO -0.18 -0.07 -0.20 -1.01 -0.81 0.00 0.00 175.30 173.03 2a24 s HIS 12 N 1.39 1.78 0.04 5.12 3.76 -0.37 -0.99 115.29 126.02 2a24 s HIS 12 Ca 0.21 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2a24 s HIS 12 Cb -0.15 -1.14 -0.03 0.00 1.11 0.00 0.00 32.58 32.37 2a24 s HIS 12 CO 0.09 -0.02 -0.03 -1.12 -0.85 0.00 0.00 174.74 172.80 2a24 s SER 13 N -0.53 0.43 1.21 1.40 0.01 -0.72 0.42 113.70 115.92 2a24 s SER 13 Ca 0.08 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2a24 s SER 13 Cb -0.08 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2a24 s SER 13 CO -0.01 -0.47 0.00 0.23 0.41 0.00 0.00 173.24 173.41 2a24 n MET 14 N 0.73 0.00 -0.47 12.44 2.81 -1.26 -1.90 117.12 129.47 2a24 n MET 14 Ca -0.18 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.65 2a24 n MET 14 Cb 0.58 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 33.12 2a24 n MET 14 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2a24 n ASP 15 N 8.75 4.58 -2.13 7.83 5.75 -1.26 -4.74 116.55 135.33 2a24 n ASP 15 Ca 0.00 -2.51 -0.20 0.00 -0.01 0.00 0.00 54.79 52.07 2a24 n ASP 15 Cb 0.00 -0.85 -0.04 0.00 -1.03 0.00 0.00 41.12 39.20 2a24 n ASP 15 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 2a24 n MET 16 N 0.63 -1.63 -1.89 0.11 0.00 -0.80 -4.59 117.12 108.96 2a24 n MET 16 Ca 0.12 1.06 -0.30 0.00 -0.00 0.00 0.00 57.70 58.58 2a24 n MET 16 Cb 0.62 -5.63 0.03 0.00 0.00 0.00 0.00 33.22 28.24 2a24 n MET 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2a24 s LYS 17 N -4.61 3.16 -0.43 2.12 -2.85 -0.89 -4.56 119.74 111.68 2a24 s LYS 17 Ca 0.00 0.57 -0.29 0.00 -1.00 0.00 0.00 55.97 55.25 2a24 s LYS 17 Cb 0.00 -2.05 0.02 0.00 -2.06 0.00 0.00 37.83 33.74 2a24 s LYS 17 CO 0.00 -0.84 1.25 -0.06 0.10 0.00 0.00 175.35 175.80 2a24 s PHE 18 N -3.28 2.67 -0.24 1.78 0.40 -1.24 -1.75 117.98 116.32 2a24 s PHE 18 Ca 0.57 0.74 0.22 0.00 -0.60 0.00 0.00 56.93 57.86 2a24 s PHE 18 Cb -0.11 -4.30 -0.22 0.00 0.51 0.00 0.00 43.02 38.90 2a24 s PHE 18 CO 0.53 -1.54 0.70 0.25 0.70 0.00 0.00 175.22 175.85 2a24 n THR 19 N 6.82 0.13 -3.61 0.64 -2.24 -0.16 -0.78 114.28 115.08 2a24 n THR 19 Ca 0.14 -0.42 -0.03 0.00 -2.27 0.00 0.00 64.05 61.46 2a24 n THR 19 Cb 0.48 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 2a24 n THR 19 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2a24 s TYR 20 N -3.40 -0.97 0.05 4.78 5.04 -1.18 -4.80 117.35 116.89 2a24 s TYR 20 Ca -0.04 1.82 0.09 0.00 -2.44 0.00 0.00 57.07 56.50 2a24 s TYR 20 Cb 0.13 0.58 -0.03 0.00 0.35 0.00 0.00 41.96 42.99 2a24 s TYR 20 CO 0.87 -0.48 -0.26 0.00 -1.34 0.00 0.00 175.55 174.34 2a24 s ASP 22 N -1.32 5.50 0.49 0.00 -1.08 -0.87 -4.76 116.67 114.62 2a24 s ASP 22 Ca 0.12 1.91 0.31 0.00 -0.52 0.00 0.00 52.55 54.36 2a24 s ASP 22 Cb -0.10 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 39.98 2a24 s ASP 22 CO 0.02 -1.36 1.89 -2.24 0.52 0.00 0.00 175.17 174.00 2a24 h ASP 23 N 0.31 0.00 0.68 -0.34 2.03 -1.99 -2.25 116.42 114.85 2a24 h ASP 23 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2a24 h ASP 23 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2a24 h ASP 23 CO 0.56 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 179.31 2a24 n ARG 24 N -2.95 0.20 0.19 4.15 1.74 -1.26 -3.24 116.66 115.49 2a24 n ARG 24 Ca 0.01 0.05 0.06 0.00 -0.77 0.00 0.00 57.85 57.20 2a24 n ARG 24 Cb 0.33 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.59 2a24 n ARG 24 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2a24 h ILE 25 N 0.00 0.86 -0.23 0.55 2.10 -1.72 -3.05 117.51 116.02 2a24 h ILE 25 Ca 0.00 -1.54 -0.08 0.00 1.08 0.00 0.00 64.86 64.32 2a24 h ILE 25 Cb 0.34 1.95 -0.01 0.00 -1.09 0.00 0.00 36.82 38.00 2a24 h ILE 25 CO 0.00 0.37 -0.22 0.74 -1.08 0.00 0.00 178.15 177.96 2a24 h THR 26 N 0.00 1.25 -0.54 2.19 2.02 -1.59 0.18 112.91 116.42 2a24 h THR 26 Ca -0.00 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.01 2a24 h THR 26 Cb 0.92 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2a24 h THR 26 CO 0.05 0.37 0.00 -1.84 0.37 0.00 0.00 175.52 174.47 2a24 n GLU 27 N -4.15 2.47 0.05 6.66 0.28 -1.16 -2.88 120.64 121.91 2a24 n GLU 27 Ca -0.00 -2.03 0.00 0.00 -0.16 0.00 0.00 57.16 54.97 2a24 n GLU 27 Cb 0.37 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.74 2a24 n GLU 27 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2a24 n LEU 28 N 1.04 0.69 -0.06 -1.84 4.77 -0.87 -4.88 117.00 115.85 2a24 n LEU 28 Ca 0.19 0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 56.20 2a24 n LEU 28 Cb 0.52 -0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 41.30 2a24 n LEU 28 CO 0.14 -0.59 -0.92 -0.38 -1.33 0.00 0.00 177.39 174.32 2a24 n ILE 29 N -3.35 1.52 0.00 -0.08 5.41 0.58 -4.97 119.36 118.46 2a24 n ILE 29 Ca 0.00 -0.79 0.00 0.00 1.00 0.00 0.00 62.75 62.96 2a24 n ILE 29 Cb 0.11 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 2a24 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2a24 n GLY 30 N 1.76 1.87 3.75 7.39 0.00 -0.94 -0.32 105.19 118.69 2a24 n GLY 30 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2a24 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a24 s TYR 31 N -2.10 3.70 0.28 1.61 2.02 -1.26 -4.79 117.35 116.81 2a24 s TYR 31 Ca 0.00 1.73 -0.29 0.00 -0.37 0.00 0.00 57.07 58.15 2a24 s TYR 31 Cb 0.00 -3.19 -0.09 0.00 -0.40 0.00 0.00 41.96 38.27 2a24 s TYR 31 CO 0.00 -0.27 0.97 -1.58 -1.57 0.00 0.00 175.55 173.10 2a24 s HIS 32 N -0.85 3.82 0.17 2.71 2.46 -1.26 -3.52 115.29 118.82 2a24 s HIS 32 Ca 0.45 1.84 -0.24 0.00 0.47 0.00 0.00 55.06 57.58 2a24 s HIS 32 Cb -0.29 -3.01 0.06 0.00 -0.13 0.00 0.00 32.58 29.20 2a24 s HIS 32 CO 0.36 0.21 1.57 -1.35 -2.47 0.00 0.00 174.74 173.07 2a24 h PRO 33 N 3.76 -0.21 -0.04 2.88 0.11 -1.86 0.04 132.00 136.69 2a24 h PRO 33 Ca -0.46 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2a24 h PRO 33 Cb 1.20 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2a24 h PRO 33 CO 0.67 -0.14 -0.06 0.93 -0.21 0.00 0.00 178.00 179.19 2a24 h GLU 34 N -0.22 0.05 0.00 1.05 4.39 -1.93 -1.12 114.58 116.80 2a24 h GLU 34 Ca 0.19 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2a24 h GLU 34 Cb 0.56 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2a24 h GLU 34 CO -0.68 0.12 0.00 1.49 -1.16 0.00 0.00 179.01 178.78 2a24 h GLU 35 N 0.05 0.00 0.00 2.33 4.22 -1.38 -2.61 114.58 117.19 2a24 h GLU 35 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2a24 h GLU 35 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2a24 h GLU 35 CO 0.01 0.00 -1.22 1.28 -2.18 0.00 0.00 179.01 176.90 2a24 n LEU 36 N -2.90 0.48 -4.59 1.64 4.77 -0.49 -4.76 117.00 111.15 2a24 n LEU 36 Ca 0.01 -0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.27 2a24 n LEU 36 Cb 0.27 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2a24 n LEU 36 CO 0.25 0.12 1.77 -0.76 -1.33 0.00 0.00 177.39 177.44 2a24 s LEU 37 N -3.39 3.45 0.00 2.23 1.43 -0.80 -1.74 118.68 119.86 2a24 s LEU 37 Ca 0.01 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 2a24 s LEU 37 Cb 0.12 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.95 2a24 s LEU 37 CO 0.72 -1.99 0.00 0.61 0.23 0.00 0.00 176.35 175.92 2a24 n GLY 38 N 5.69 1.22 3.87 -3.19 0.00 0.04 -5.02 105.19 107.80 2a24 n GLY 38 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 2a24 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a24 s ARG 39 N -0.57 3.85 -0.03 1.61 1.70 -0.71 -4.97 118.95 119.83 2a24 s ARG 39 Ca 0.00 0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 55.39 2a24 s ARG 39 Cb 0.00 -2.52 -0.06 0.00 -0.57 0.00 0.00 34.95 31.80 2a24 s ARG 39 CO 0.00 0.17 1.67 -1.12 -1.08 0.00 0.00 175.30 174.94 2a24 s SER 40 N -2.58 6.65 0.20 -2.89 0.01 -1.26 -3.66 113.70 110.17 2a24 s SER 40 Ca 0.50 2.29 0.12 0.00 1.31 0.00 0.00 55.95 60.17 2a24 s SER 40 Cb -0.11 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 2a24 s SER 40 CO 0.23 -0.92 1.33 0.00 0.41 0.00 0.00 173.24 174.29 2a24 h ALA 41 N 9.42 0.54 -0.00 1.44 0.00 -1.84 -3.23 119.26 125.58 2a24 h ALA 41 Ca -0.40 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2a24 h ALA 41 Cb 1.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2a24 h ALA 41 CO 0.95 0.92 0.01 1.88 0.00 0.00 0.00 179.25 183.00 2a24 h TYR 42 N 0.00 0.00 -0.83 0.00 0.05 -1.84 -1.16 116.97 113.18 2a24 h TYR 42 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2a24 h TYR 42 Cb 1.57 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.27 2a24 h TYR 42 CO 0.00 0.00 0.52 0.93 -1.05 0.00 0.00 178.16 178.56 2a24 h GLU 43 N 0.00 1.12 0.00 4.88 5.08 -1.97 -2.79 114.58 120.90 2a24 h GLU 43 Ca 0.00 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2a24 h GLU 43 Cb 0.01 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 2a24 h GLU 43 CO -0.00 0.77 -0.21 1.97 -1.00 0.00 0.00 179.01 180.53 2a24 n PHE 44 N -4.38 0.00 -1.48 4.33 -1.74 -0.82 -4.87 117.46 108.50 2a24 n PHE 44 Ca 0.09 -1.21 -0.40 0.00 -0.56 0.00 0.00 57.45 55.38 2a24 n PHE 44 Cb 0.05 -0.19 -0.02 0.00 1.52 0.00 0.00 39.48 40.84 2a24 n PHE 44 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 2a24 n TYR 45 N -1.30 2.81 -0.46 2.97 9.36 -0.50 -4.02 117.16 126.02 2a24 n TYR 45 Ca 0.17 -3.05 0.00 0.00 3.32 0.00 0.00 57.90 58.34 2a24 n TYR 45 Cb 0.66 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 2a24 n TYR 45 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2a24 n HIS 46 N 4.39 -1.26 0.04 2.98 8.25 -1.26 -4.21 115.22 124.15 2a24 n HIS 46 Ca 0.69 0.68 0.08 0.00 -0.26 0.00 0.00 57.72 58.91 2a24 n HIS 46 Cb 0.29 -1.46 -0.12 0.00 1.12 0.00 0.00 29.99 29.82 2a24 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a24 n ALA 47 N -1.70 2.68 0.00 -1.41 0.00 -1.26 -4.42 120.51 114.41 2a24 n ALA 47 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2a24 n ALA 47 Cb 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2a24 n ALA 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2a24 n LEU 48 N -2.02 1.49 -2.23 0.00 -0.00 -1.26 -4.76 117.00 108.22 2a24 n LEU 48 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.69 2a24 n LEU 48 Cb 0.41 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.89 2a24 n LEU 48 CO 0.34 0.22 1.40 -0.90 -0.00 0.00 0.00 177.39 178.44 2a24 n ASP 49 N -2.61 7.30 0.09 1.45 5.75 -1.26 -4.48 116.55 122.78 2a24 n ASP 49 Ca 0.00 -3.56 -0.07 0.00 -0.01 0.00 0.00 54.79 51.16 2a24 n ASP 49 Cb 0.44 -1.02 0.06 0.00 -1.03 0.00 0.00 41.12 39.57 2a24 n ASP 49 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2a24 h SER 50 N 1.92 0.26 -0.51 -1.12 0.02 -1.77 -3.14 113.55 109.22 2a24 h SER 50 Ca 0.50 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 61.20 2a24 h SER 50 Cb 0.80 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2a24 h SER 50 CO 1.32 0.89 0.04 -0.33 -1.14 0.00 0.00 176.83 177.61 2a24 h GLU 51 N 0.14 0.92 -0.26 3.45 4.39 -1.88 -2.23 114.58 119.11 2a24 h GLU 51 Ca -0.02 -0.25 0.06 0.00 0.34 0.00 0.00 59.36 59.49 2a24 h GLU 51 Cb 1.28 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.76 2a24 h GLU 51 CO 0.11 0.89 -0.15 -0.97 -1.16 0.00 0.00 179.01 177.73 2a24 h ASN 52 N 0.86 -0.50 -0.09 1.42 -0.73 -1.89 0.34 115.58 114.99 2a24 h ASN 52 Ca 0.17 0.11 -0.13 0.00 1.87 0.00 0.00 56.30 58.32 2a24 h ASN 52 Cb 0.46 0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 2a24 h ASN 52 CO 0.02 -0.19 -0.38 0.24 -0.37 0.00 0.00 177.43 176.75 2a24 h MET 53 N -0.12 0.61 -0.14 6.67 2.86 -1.61 -1.20 114.93 122.00 2a24 h MET 53 Ca 0.14 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 2a24 h MET 53 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2a24 h MET 53 CO -0.34 0.89 0.04 1.15 1.06 0.00 0.00 176.91 179.72 2a24 h THR 54 N 0.51 1.18 -0.74 2.22 2.02 -0.74 0.15 112.91 117.50 2a24 h THR 54 Ca 0.05 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 2a24 h THR 54 Cb 0.89 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 2a24 h THR 54 CO 0.08 0.17 0.28 0.11 0.37 0.00 0.00 175.52 176.53 2a24 h LYS 55 N 0.05 1.11 -0.47 6.66 6.56 -0.28 -1.64 116.57 128.56 2a24 h LYS 55 Ca 0.05 -0.21 -0.09 0.00 -1.06 0.00 0.00 60.65 59.33 2a24 h LYS 55 Cb 0.22 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 2a24 h LYS 55 CO -0.00 0.92 -0.08 0.77 -2.06 0.00 0.00 179.45 179.00 2a24 h SER 56 N 1.06 0.81 -0.34 0.86 0.02 -1.06 -1.86 113.55 113.05 2a24 h SER 56 Ca 0.24 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a24 h SER 56 Cb 0.24 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2a24 h SER 56 CO -0.02 0.93 0.20 -0.74 -1.14 0.00 0.00 176.83 176.06 2a24 h HIS 57 N 0.75 0.46 -0.16 3.45 -0.00 -0.22 0.27 115.15 119.71 2a24 h HIS 57 Ca 0.13 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2a24 h HIS 57 Cb 0.57 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 2a24 h HIS 57 CO 0.03 0.34 0.10 0.37 -0.00 0.00 0.00 177.93 178.77 2a24 h GLN 58 N 0.44 0.21 -0.66 5.26 4.15 -1.11 -1.90 115.11 121.49 2a24 h GLN 58 Ca 0.12 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.47 2a24 h GLN 58 Cb 0.02 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 2a24 h GLN 58 CO -0.02 0.15 0.16 -0.97 -1.93 0.00 0.00 178.83 176.22 2a24 h ASN 59 N 0.21 0.98 -1.00 -0.69 -1.24 -1.14 -2.76 115.58 109.94 2a24 h ASN 59 Ca 0.06 -0.20 0.02 0.00 0.71 0.00 0.00 56.30 56.89 2a24 h ASN 59 Cb -0.02 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 38.73 2a24 h ASN 59 CO -0.01 0.94 0.66 0.25 -1.29 0.00 0.00 177.43 177.98 2a24 h LEU 60 N 0.99 1.13 -1.77 0.34 5.85 -0.11 -0.27 115.31 121.47 2a24 h LEU 60 Ca 0.21 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2a24 h LEU 60 Cb 0.34 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2a24 h LEU 60 CO 0.00 0.81 -0.16 0.00 -0.34 0.00 0.00 178.44 178.75 2a24 n THR 62 N -3.81 0.50 -0.06 0.00 -2.24 -0.73 -4.42 114.28 103.52 2a24 n THR 62 Ca -0.02 -0.57 -0.22 0.00 -2.27 0.00 0.00 64.05 60.97 2a24 n THR 62 Cb 0.26 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 2a24 n THR 62 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2a24 n LYS 63 N -2.54 0.66 0.00 -0.78 4.76 -0.19 -5.01 118.16 115.06 2a24 n LYS 63 Ca -0.05 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 2a24 n LYS 63 Cb 0.64 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2a24 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2a24 n GLY 64 N 1.73 3.14 2.92 0.72 0.00 0.11 -4.98 105.19 108.82 2a24 n GLY 64 Ca -0.35 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 2a24 n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a24 s GLN 65 N 0.00 0.09 0.02 1.61 0.74 -1.26 0.57 119.66 121.43 2a24 s GLN 65 Ca 0.00 0.38 -0.02 0.00 0.05 0.00 0.00 55.36 55.77 2a24 s GLN 65 Cb 0.00 -0.19 -0.02 0.00 1.10 0.00 0.00 33.01 33.91 2a24 s GLN 65 CO 0.00 -0.17 0.02 0.54 -0.55 0.00 0.00 175.29 175.13 2a24 s VAL 66 N 1.23 0.12 -0.45 1.34 0.11 -0.33 -5.00 120.40 117.41 2a24 s VAL 66 Ca -0.09 -0.97 -0.08 0.00 -2.93 0.00 0.00 61.98 57.91 2a24 s VAL 66 Cb -0.12 -0.50 0.11 0.00 -1.53 0.00 0.00 36.38 34.35 2a24 s VAL 66 CO -0.06 -0.54 0.30 -0.69 -3.33 0.00 0.00 175.10 170.79 2a24 s VAL 67 N -1.82 4.03 0.47 2.04 1.01 -1.26 -1.17 120.40 123.69 2a24 s VAL 67 Ca -0.12 -1.77 -0.19 0.00 0.00 0.00 0.00 61.98 59.90 2a24 s VAL 67 Cb -0.07 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 2a24 s VAL 67 CO -0.02 -0.71 0.97 -0.44 0.00 0.00 0.00 175.10 174.91 2a24 s SER 68 N 2.41 6.74 0.58 3.32 0.01 0.49 -4.99 113.70 122.25 2a24 s SER 68 Ca 0.06 1.68 -0.01 0.00 1.31 0.00 0.00 55.95 58.99 2a24 s SER 68 Cb -0.25 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.52 2a24 s SER 68 CO -0.01 -0.51 0.49 0.61 0.41 0.00 0.00 173.24 174.23 2a24 n GLY 69 N -0.92 0.59 3.65 3.44 0.00 -1.26 -3.02 105.19 107.67 2a24 n GLY 69 Ca 0.07 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 2a24 n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a24 s GLN 70 N -3.72 4.00 0.51 1.61 -0.21 -1.26 -4.42 119.66 116.17 2a24 s GLN 70 Ca 0.32 2.16 0.03 0.00 0.02 0.00 0.00 55.36 57.90 2a24 s GLN 70 Cb -0.02 -4.07 -0.00 0.00 1.00 0.00 0.00 33.01 29.92 2a24 s GLN 70 CO 0.21 -1.08 0.14 1.52 -2.12 0.00 0.00 175.29 173.96 2a24 s TYR 71 N 4.76 1.88 -0.84 0.91 -0.85 -0.98 -4.85 117.35 117.38 2a24 s TYR 71 Ca 0.79 -0.88 -0.11 0.00 -0.52 0.00 0.00 57.07 56.35 2a24 s TYR 71 Cb -0.34 -1.74 0.22 0.00 0.38 0.00 0.00 41.96 40.48 2a24 s TYR 71 CO 0.33 0.02 0.76 1.03 -1.52 0.00 0.00 175.55 176.17 2a24 s ARG 72 N -4.00 3.51 0.07 -3.49 0.52 -1.26 -3.23 118.95 111.07 2a24 s ARG 72 Ca 0.18 -2.62 -0.31 0.00 -0.52 0.00 0.00 55.73 52.46 2a24 s ARG 72 Cb 0.01 -4.31 -0.06 0.00 0.52 0.00 0.00 34.95 31.11 2a24 s ARG 72 CO 0.11 -1.26 1.22 1.41 0.02 0.00 0.00 175.30 176.79 2a24 s MET 73 N -0.15 4.42 -0.39 3.54 1.75 -0.08 -4.47 119.30 123.91 2a24 s MET 73 Ca 0.20 1.80 -0.29 0.00 -1.25 0.00 0.00 55.69 56.15 2a24 s MET 73 Cb -0.12 -3.33 0.02 0.00 2.84 0.00 0.00 34.83 34.24 2a24 s MET 73 CO -0.08 -0.26 1.24 -1.17 -0.65 0.00 0.00 175.02 174.09 2a24 s LEU 74 N 1.00 3.73 0.79 4.11 2.96 -1.26 -0.32 118.68 129.70 2a24 s LEU 74 Ca 0.59 0.84 -0.09 0.00 -0.22 0.00 0.00 54.13 55.24 2a24 s LEU 74 Cb -0.30 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 42.95 2a24 s LEU 74 CO 0.30 -1.20 1.12 0.00 -1.32 0.00 0.00 176.35 175.25 2a24 s ALA 75 N 4.56 2.90 0.00 5.97 0.00 0.15 -4.93 121.76 130.41 2a24 s ALA 75 Ca 0.53 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 2a24 s ALA 75 Cb -0.12 -2.63 -0.21 0.00 0.00 0.00 0.00 23.12 20.16 2a24 s ALA 75 CO 0.27 -1.68 3.02 1.17 0.00 0.00 0.00 175.76 178.54 2a24 n LYS 76 N -3.20 1.62 -0.07 0.00 4.81 0.56 -2.54 118.16 119.33 2a24 n LYS 76 Ca 0.11 -0.78 0.00 0.00 -0.87 0.00 0.00 58.31 56.77 2a24 n LYS 76 Cb 0.60 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.80 2a24 n LYS 76 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2a24 n HIS 77 N 2.50 0.00 -1.01 5.64 1.44 -1.26 -4.97 115.22 117.56 2a24 n HIS 77 Ca 0.33 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 56.04 2a24 n HIS 77 Cb 0.75 0.13 -0.00 0.00 0.12 0.00 0.00 29.99 30.98 2a24 n HIS 77 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2a24 n GLY 78 N 0.00 0.47 3.87 -1.39 0.00 -1.05 -5.03 105.19 102.06 2a24 n GLY 78 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2a24 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a24 s GLY 79 N -2.27 2.34 -0.38 -0.02 0.00 -1.26 -4.87 107.32 100.87 2a24 s GLY 79 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 44.72 44.31 2a24 s GLY 79 CO 0.00 -0.13 0.19 -0.19 0.00 0.00 0.00 173.10 172.96 2a24 s TYR 80 N -1.55 3.29 -0.10 1.90 2.02 0.96 0.30 117.35 124.18 2a24 s TYR 80 Ca 0.39 -1.40 -0.25 0.00 -0.37 0.00 0.00 57.07 55.44 2a24 s TYR 80 Cb -0.13 -2.59 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 2a24 s TYR 80 CO 0.20 -0.77 0.77 0.08 -1.57 0.00 0.00 175.55 174.26 2a24 s VAL 81 N 1.43 4.98 -0.55 0.71 1.01 0.56 0.08 120.40 128.62 2a24 s VAL 81 Ca 0.01 1.55 -0.20 0.00 0.00 0.00 0.00 61.98 63.34 2a24 s VAL 81 Cb -0.21 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.15 2a24 s VAL 81 CO 0.03 0.17 0.72 0.26 0.00 0.00 0.00 175.10 176.27 2a24 s TRP 82 N 1.29 2.97 0.05 5.22 0.52 -0.89 -0.91 118.94 127.19 2a24 s TRP 82 Ca 0.39 -0.61 -0.03 0.00 0.02 0.00 0.00 56.10 55.87 2a24 s TRP 82 Cb -0.18 -3.81 -0.02 0.00 -1.15 0.00 0.00 33.47 28.31 2a24 s TRP 82 CO 0.17 -1.21 0.04 -0.48 0.02 0.00 0.00 176.95 175.49 2a24 s LEU 83 N 2.93 2.11 0.40 2.99 0.05 -1.20 -1.92 118.68 124.04 2a24 s LEU 83 Ca 0.16 -0.75 0.05 0.00 0.05 0.00 0.00 54.13 53.64 2a24 s LEU 83 Cb -0.20 0.42 0.00 0.00 -2.05 0.00 0.00 46.19 44.36 2a24 s LEU 83 CO 0.11 -0.55 0.57 -1.61 -0.55 0.00 0.00 176.35 174.31 2a24 s GLU 84 N -3.20 2.99 -0.23 1.48 2.02 -0.23 -2.32 118.70 119.21 2a24 s GLU 84 Ca 0.00 -0.91 -0.17 0.00 0.02 0.00 0.00 54.97 53.91 2a24 s GLU 84 Cb 0.03 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.60 2a24 s GLU 84 CO -0.07 -0.16 0.59 0.99 0.02 0.00 0.00 175.26 176.63 2a24 s THR 85 N -2.35 -0.00 -0.20 3.63 2.01 -1.17 -0.25 115.64 117.30 2a24 s THR 85 Ca 0.49 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 2a24 s THR 85 Cb -0.10 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 2a24 s THR 85 CO 0.34 0.01 -0.03 -1.58 -0.69 0.00 0.00 174.62 172.66 2a24 s GLN 86 N 0.94 3.48 -0.01 4.92 0.74 -0.12 -0.38 119.66 129.23 2a24 s GLN 86 Ca -0.05 -0.59 0.04 0.00 0.05 0.00 0.00 55.36 54.82 2a24 s GLN 86 Cb -0.05 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 31.03 2a24 s GLN 86 CO -0.08 -0.07 -0.13 0.20 -0.55 0.00 0.00 175.29 174.66 2a24 s GLY 87 N 1.17 1.60 -0.09 2.59 0.00 -0.31 -0.35 107.32 111.92 2a24 s GLY 87 Ca 0.02 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 43.68 2a24 s GLY 87 CO -0.00 -0.88 0.00 -1.59 0.00 0.00 0.00 173.10 170.63 2a24 s THR 88 N -0.85 0.42 -0.18 0.90 2.01 0.85 -1.19 115.64 117.59 2a24 s THR 88 Ca 0.14 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.97 2a24 s THR 88 Cb -0.11 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 2a24 s THR 88 CO 0.03 0.19 0.48 -0.69 -0.69 0.00 0.00 174.62 173.95 2a24 s VAL 89 N 1.95 5.15 -0.19 3.82 1.01 0.19 -0.15 120.40 132.18 2a24 s VAL 89 Ca 0.04 0.89 -0.09 0.00 0.00 0.00 0.00 61.98 62.82 2a24 s VAL 89 Cb -0.13 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2a24 s VAL 89 CO -0.06 0.23 0.09 -0.51 0.00 0.00 0.00 175.10 174.85 2a24 s ILE 90 N 1.34 5.07 0.02 2.22 2.07 -0.86 -4.86 121.20 126.21 2a24 s ILE 90 Ca 0.23 0.07 -0.20 0.00 -1.41 0.00 0.00 60.65 59.34 2a24 s ILE 90 Cb -0.15 -3.30 -0.06 0.00 0.13 0.00 0.00 42.46 39.08 2a24 s ILE 90 CO 0.09 0.46 0.58 -0.31 -1.91 0.00 0.00 174.94 173.85 2a24 s TYR 91 N 0.32 3.73 -0.18 3.50 1.51 -1.26 -0.47 117.35 124.50 2a24 s TYR 91 Ca 0.06 1.22 -0.05 0.00 -1.01 0.00 0.00 57.07 57.29 2a24 s TYR 91 Cb -0.12 -2.57 -0.03 0.00 -0.11 0.00 0.00 41.96 39.14 2a24 s TYR 91 CO -0.01 0.44 -0.01 1.21 -1.11 0.00 0.00 175.55 176.07 2a24 s ASN 92 N -0.52 4.87 0.00 2.29 2.47 0.38 -4.81 114.94 119.62 2a24 s ASN 92 Ca 0.30 -0.14 0.12 0.00 0.42 0.00 0.00 52.86 53.56 2a24 s ASN 92 Cb -0.19 -1.81 0.64 0.00 -1.45 0.00 0.00 41.25 38.44 2a24 s ASN 92 CO 0.18 0.13 1.26 -0.81 -3.72 0.00 0.00 177.10 174.13 2a24 n PRO 93 N 3.83 0.23 0.15 0.43 -0.04 -1.26 -1.37 135.00 136.96 2a24 n PRO 93 Ca -0.17 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 2a24 n PRO 93 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 2a24 n PRO 93 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2a24 h ARG 94 N 0.00 -0.41 0.00 0.54 9.65 -1.93 -3.31 114.38 118.92 2a24 h ARG 94 Ca 0.00 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2a24 h ARG 94 Cb 0.08 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 2a24 h ARG 94 CO 0.00 -0.27 -0.10 0.09 2.80 0.00 0.00 179.97 182.49 2a24 n ASN 95 N -5.32 1.21 -3.56 -3.80 4.13 -1.21 -5.01 115.26 101.70 2a24 n ASN 95 Ca -0.08 -2.05 -0.25 0.00 1.68 0.00 0.00 54.58 53.88 2a24 n ASN 95 Cb 0.23 -0.15 0.05 0.00 -1.54 0.00 0.00 39.78 38.37 2a24 n ASN 95 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2a24 n LEU 96 N -0.53 -3.68 -3.66 3.41 4.77 -0.47 -5.00 117.00 111.83 2a24 n LEU 96 Ca 0.04 -0.90 -0.10 0.00 -0.03 0.00 0.00 56.01 55.02 2a24 n LEU 96 Cb 0.50 -2.67 -0.03 0.00 -2.33 0.00 0.00 43.42 38.89 2a24 n LEU 96 CO 0.00 0.36 0.31 0.00 -1.33 0.00 0.00 177.39 176.72 2a24 s GLN 97 N -5.53 1.36 0.06 3.23 -2.07 -1.03 -4.96 119.66 110.71 2a24 s GLN 97 Ca 0.39 -0.77 -0.31 0.00 -1.82 0.00 0.00 55.36 52.86 2a24 s GLN 97 Cb -0.11 0.54 -0.10 0.00 -1.09 0.00 0.00 33.01 32.25 2a24 s GLN 97 CO 0.82 -0.58 1.92 -2.30 -1.32 0.00 0.00 175.29 173.83 2a24 n PRO 98 N -0.35 2.80 -0.01 9.60 -0.02 -1.26 -0.47 135.00 145.29 2a24 n PRO 98 Ca -0.12 1.02 -0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2a24 n PRO 98 Cb 0.63 -2.95 -0.00 0.00 -0.02 0.00 0.00 33.50 31.16 2a24 n PRO 98 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2a24 h GLN 99 N 9.80 0.00 -4.03 -0.52 5.75 -1.09 -3.46 115.11 121.56 2a24 h GLN 99 Ca -0.49 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 57.91 2a24 h GLN 99 Cb 1.24 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.64 2a24 h GLN 99 CO 0.94 0.00 -0.54 0.00 -2.65 0.00 0.00 178.83 176.59 2a24 s ILE 101 N -3.83 3.53 -0.38 0.00 1.01 0.17 -2.02 121.20 119.67 2a24 s ILE 101 Ca 0.05 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.91 2a24 s ILE 101 Cb 0.06 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.85 2a24 s ILE 101 CO -0.10 0.31 0.68 -0.04 0.00 0.00 0.00 174.94 175.79 2a24 s MET 102 N 1.48 3.59 -0.07 2.79 -1.94 0.79 -1.24 119.30 124.70 2a24 s MET 102 Ca 0.04 0.01 0.04 0.00 -1.71 0.00 0.00 55.69 54.08 2a24 s MET 102 Cb -0.15 -3.85 -0.02 0.00 2.01 0.00 0.00 34.83 32.82 2a24 s MET 102 CO -0.01 -0.85 -0.20 0.00 -0.01 0.00 0.00 175.02 173.95 2a24 s VAL 104 N -0.23 3.36 -0.10 0.00 1.01 0.52 -0.49 120.40 124.47 2a24 s VAL 104 Ca -0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 2a24 s VAL 104 Cb -0.13 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2a24 s VAL 104 CO 0.03 0.41 0.23 0.21 0.00 0.00 0.00 175.10 175.98 2a24 s ASN 105 N 1.47 6.50 -0.27 3.32 3.84 -0.77 -0.94 114.94 128.09 2a24 s ASN 105 Ca 0.06 0.59 0.02 0.00 0.21 0.00 0.00 52.86 53.74 2a24 s ASN 105 Cb -0.14 -2.13 0.07 0.00 -0.55 0.00 0.00 41.25 38.49 2a24 s ASN 105 CO -0.03 0.33 -0.05 -0.31 -2.79 0.00 0.00 177.10 174.25 2a24 s TYR 106 N -0.75 2.96 -0.49 0.43 2.02 0.66 -2.41 117.35 119.77 2a24 s TYR 106 Ca 0.17 -2.21 -0.28 0.00 -0.37 0.00 0.00 57.07 54.38 2a24 s TYR 106 Cb -0.13 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 2a24 s TYR 106 CO 0.06 -0.85 1.46 0.08 -1.57 0.00 0.00 175.55 174.72 2a24 s VAL 107 N 1.20 3.80 -0.05 0.71 1.01 -0.59 -1.07 120.40 125.41 2a24 s VAL 107 Ca -0.03 0.74 0.13 0.00 0.00 0.00 0.00 61.98 62.82 2a24 s VAL 107 Cb -0.19 -4.27 -0.20 0.00 0.00 0.00 0.00 36.38 31.71 2a24 s VAL 107 CO -0.07 -0.94 0.24 0.18 0.00 0.00 0.00 175.10 174.51 2a24 n LEU 108 N 9.46 0.00 0.00 3.92 4.77 -1.24 -3.89 117.00 130.02 2a24 n LEU 108 Ca 0.15 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 2a24 n LEU 108 Cb 0.49 0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2a24 n LEU 108 CO 0.71 0.08 -0.04 -1.20 -1.33 0.00 0.00 177.39 175.61 2a24 n SER 109 N -2.11 1.37 -1.74 -1.43 7.64 -0.81 -5.07 113.62 111.46 2a24 n SER 109 Ca -0.07 -1.51 0.00 0.00 1.01 0.00 0.00 58.87 58.29 2a24 n SER 109 Cb 0.51 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 2a24 n SER 109 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2a24 n GLU 110 N -0.24 1.13 -4.18 1.43 0.00 -1.26 -4.61 120.64 112.91 2a24 n GLU 110 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.79 2a24 n GLU 110 Cb 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.48 2a24 n GLU 110 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2a24 s ILE 111 N 0.77 4.47 -2.94 3.84 1.01 -1.26 -2.10 121.20 124.98 2a24 s ILE 111 Ca 0.00 -0.16 0.24 0.00 0.00 0.00 0.00 60.65 60.74 2a24 s ILE 111 Cb 0.00 -2.98 0.23 0.00 0.01 0.00 0.00 42.46 39.73 2a24 s ILE 111 CO 0.00 0.50 1.32 -0.62 0.00 0.00 0.00 174.94 176.14