#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 3.33 0.06 3.15 2.01 -1.26 -4.20 115.64 118.73 2a24 s THR 7 Ca 0.00 -1.64 -0.19 0.00 0.31 0.00 0.00 61.69 60.17 2a24 s THR 7 Cb 0.00 -3.04 0.04 0.00 0.01 0.00 0.00 72.50 69.51 2a24 s THR 7 CO 0.00 -0.23 0.44 0.72 -0.69 0.00 0.00 174.62 174.86 2a24 s PHE 8 N -2.36 -0.30 -0.06 4.92 -0.71 -1.22 -4.83 117.98 113.42 2a24 s PHE 8 Ca 0.37 0.25 -0.02 0.00 -1.04 0.00 0.00 56.93 56.49 2a24 s PHE 8 Cb -0.04 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 2a24 s PHE 8 CO 0.23 -0.61 0.04 -1.17 -1.34 0.00 0.00 175.22 172.38 2a24 s LEU 9 N -2.10 3.78 -0.05 -1.99 1.98 -1.26 -2.61 118.68 116.44 2a24 s LEU 9 Ca -0.04 0.18 0.01 0.00 -2.89 0.00 0.00 54.13 51.38 2a24 s LEU 9 Cb -0.00 -2.01 0.02 0.00 0.66 0.00 0.00 46.19 44.86 2a24 s LEU 9 CO -0.03 0.34 -0.03 -0.94 -1.89 0.00 0.00 176.35 173.79 2a24 s SER 10 N -1.22 1.03 -0.19 3.68 1.04 -0.68 -1.03 113.70 116.33 2a24 s SER 10 Ca 0.17 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.32 2a24 s SER 10 Cb -0.12 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 2a24 s SER 10 CO 0.07 -0.08 0.40 -0.13 0.98 0.00 0.00 173.24 174.47 2a24 s ARG 11 N 1.10 4.20 0.19 4.02 0.52 0.10 -0.59 118.95 128.50 2a24 s ARG 11 Ca -0.08 0.22 0.11 0.00 -0.52 0.00 0.00 55.73 55.46 2a24 s ARG 11 Cb -0.14 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 2a24 s ARG 11 CO -0.01 0.02 -0.20 -1.01 0.02 0.00 0.00 175.30 174.12 2a24 s HIS 12 N 1.13 2.40 -0.04 -0.53 3.76 0.48 -0.40 115.29 122.09 2a24 s HIS 12 Ca 0.20 -0.32 -0.23 0.00 -0.15 0.00 0.00 55.06 54.56 2a24 s HIS 12 Cb -0.15 -1.18 0.05 0.00 1.11 0.00 0.00 32.58 32.41 2a24 s HIS 12 CO 0.08 0.50 0.50 -1.54 -0.85 0.00 0.00 174.74 173.44 2a24 s SER 13 N -2.72 -0.44 1.11 1.40 1.04 -0.59 -0.43 113.70 113.07 2a24 s SER 13 Ca 0.22 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.09 2a24 s SER 13 Cb -0.08 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2a24 s SER 13 CO 0.11 -0.52 0.00 0.23 0.98 0.00 0.00 173.24 174.04 2a24 n MET 14 N 1.15 0.00 0.00 4.02 2.81 -1.26 -1.85 117.12 121.98 2a24 n MET 14 Ca -0.20 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 2a24 n MET 14 Cb 0.56 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.07 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 8.32 2.77 -1.07 7.83 5.75 -1.26 -4.73 116.55 134.17 2a24 n ASP 15 Ca 0.00 -1.96 -0.14 0.00 -0.01 0.00 0.00 54.79 52.68 2a24 n ASP 15 Cb 0.00 -0.49 -0.06 0.00 -1.03 0.00 0.00 41.12 39.54 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 0.47 -1.20 -1.45 0.11 0.00 -0.77 -4.77 117.12 109.50 2a24 n MET 16 Ca 0.00 0.97 -0.29 0.00 -0.00 0.00 0.00 57.70 58.38 2a24 n MET 16 Cb 0.47 -5.17 0.12 0.00 0.00 0.00 0.00 33.22 28.65 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 -3.11 1.48 -0.23 2.12 -2.85 -1.00 -4.55 119.74 111.59 2a24 s LYS 17 Ca 0.00 0.54 -0.24 0.00 -1.00 0.00 0.00 55.97 55.27 2a24 s LYS 17 Cb 0.00 -1.86 -0.01 0.00 -2.06 0.00 0.00 37.83 33.91 2a24 s LYS 17 CO 0.00 -2.02 0.81 -0.06 0.10 0.00 0.00 175.35 174.18 2a24 s PHE 18 N -3.14 3.32 -0.13 1.78 0.08 -1.26 -1.55 117.98 117.09 2a24 s PHE 18 Ca 0.63 1.12 0.18 0.00 0.12 0.00 0.00 56.93 58.98 2a24 s PHE 18 Cb -0.16 -3.02 -0.24 0.00 -0.57 0.00 0.00 43.02 39.03 2a24 s PHE 18 CO 0.55 -0.37 0.38 2.41 -0.10 0.00 0.00 175.22 178.09 2a24 n THR 19 N 5.16 1.00 -3.64 0.64 -1.04 0.46 -1.55 114.28 115.31 2a24 n THR 19 Ca 0.05 -0.73 -0.06 0.00 -2.04 0.00 0.00 64.05 61.27 2a24 n THR 19 Cb 0.48 -0.44 -0.07 0.00 -1.82 0.00 0.00 70.33 68.48 2a24 n THR 19 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2a24 s TYR 20 N -2.86 -0.85 0.09 -1.42 5.04 -1.22 -4.82 117.35 111.32 2a24 s TYR 20 Ca -0.08 1.72 0.10 0.00 -2.44 0.00 0.00 57.07 56.37 2a24 s TYR 20 Cb 0.09 0.50 -0.03 0.00 0.35 0.00 0.00 41.96 42.86 2a24 s TYR 20 CO 0.85 -0.42 -0.25 0.00 -1.34 0.00 0.00 175.55 174.38 2a24 s ASP 22 N -1.69 5.68 0.39 0.00 -1.08 -0.19 -4.79 116.67 114.98 2a24 s ASP 22 Ca 0.13 2.17 0.28 0.00 -0.52 0.00 0.00 52.55 54.61 2a24 s ASP 22 Cb -0.10 -2.58 1.25 0.00 -1.46 0.00 0.00 42.92 40.03 2a24 s ASP 22 CO 0.05 -1.24 1.84 -2.24 0.52 0.00 0.00 175.17 174.09 2a24 h ASP 23 N 1.13 0.00 1.01 -0.34 2.03 -1.98 -2.17 116.42 116.10 2a24 h ASP 23 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2a24 h ASP 23 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2a24 h ASP 23 CO 0.57 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 179.32 2a24 n ARG 24 N -2.56 0.16 0.26 4.15 1.74 -1.26 -2.95 116.66 116.20 2a24 n ARG 24 Ca 0.01 0.26 0.13 0.00 -0.77 0.00 0.00 57.85 57.48 2a24 n ARG 24 Cb 0.21 -1.74 0.71 0.00 -1.02 0.00 0.00 32.46 30.62 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 0.47 0.00 0.55 2.10 -1.68 -1.57 117.51 117.38 2a24 h ILE 25 Ca 0.00 -0.60 -0.05 0.00 1.08 0.00 0.00 64.86 65.29 2a24 h ILE 25 Cb 0.51 1.41 -0.01 0.00 -1.09 0.00 0.00 36.82 37.64 2a24 h ILE 25 CO 0.00 0.12 -0.24 0.74 -1.08 0.00 0.00 178.15 177.69 2a24 h THR 26 N 0.00 0.60 0.00 2.19 2.02 -1.52 0.10 112.91 116.30 2a24 h THR 26 Ca -0.00 -1.15 -0.29 0.00 0.77 0.00 0.00 66.41 65.75 2a24 h THR 26 Cb 0.40 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 2a24 h THR 26 CO 0.02 0.24 -1.77 -0.62 0.37 0.00 0.00 175.52 173.75 2a24 n GLU 27 N -3.42 0.64 -0.06 6.66 1.02 -0.64 -3.06 120.64 121.77 2a24 n GLU 27 Ca -0.00 0.24 -0.04 0.00 -0.02 0.00 0.00 57.16 57.34 2a24 n GLU 27 Cb 0.43 -1.75 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 2a24 n GLU 27 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2a24 h LEU 28 N 0.00 0.00 0.19 -4.62 3.38 -1.31 -3.42 115.31 109.53 2a24 h LEU 28 Ca -0.31 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.39 2a24 h LEU 28 Cb 1.99 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.76 2a24 h LEU 28 CO 0.07 0.63 -1.27 0.40 0.09 0.00 0.00 178.44 178.35 2a24 h ILE 29 N -0.86 1.29 0.00 1.22 1.08 -1.10 -3.46 117.51 115.68 2a24 h ILE 29 Ca 0.00 -2.58 0.00 0.00 -0.39 0.00 0.00 64.86 61.89 2a24 h ILE 29 Cb 0.40 3.03 0.00 0.00 -3.07 0.00 0.00 36.82 37.18 2a24 h ILE 29 CO 0.00 0.77 0.00 0.61 -0.69 0.00 0.00 178.15 178.84 2a24 n GLY 30 N 1.72 0.81 3.47 5.37 0.00 -0.55 -0.18 105.19 115.84 2a24 n GLY 30 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 3.06 0.24 1.61 2.02 -1.24 -4.88 117.35 116.16 2a24 s TYR 31 Ca 0.00 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 2a24 s TYR 31 Cb 0.00 -2.08 -0.09 0.00 -0.40 0.00 0.00 41.96 39.39 2a24 s TYR 31 CO 0.00 -0.18 1.33 -3.38 -1.57 0.00 0.00 175.55 171.75 2a24 s HIS 32 N 0.89 3.18 0.23 2.71 -3.43 -1.26 -3.30 115.29 114.31 2a24 s HIS 32 Ca 0.01 1.25 -0.06 0.00 -0.80 0.00 0.00 55.06 55.46 2a24 s HIS 32 Cb -0.14 -3.65 0.39 0.00 -1.43 0.00 0.00 32.58 27.75 2a24 s HIS 32 CO 0.02 -1.97 1.29 -2.30 -2.00 0.00 0.00 174.74 169.78 2a24 n PRO 33 N 2.06 -0.07 0.30 -0.38 -0.02 -1.26 -0.01 135.00 135.62 2a24 n PRO 33 Ca 0.04 1.29 0.19 0.00 -2.02 0.00 0.00 63.50 63.00 2a24 n PRO 33 Cb 0.42 -1.93 1.02 0.00 -0.02 0.00 0.00 33.50 32.98 2a24 n PRO 33 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2a24 h GLU 34 N 0.00 0.00 0.00 -0.52 4.39 -1.91 -0.10 114.58 116.43 2a24 h GLU 34 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2a24 h GLU 34 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2a24 h GLU 34 CO -0.85 0.00 -0.02 -1.91 -1.16 0.00 0.00 179.01 175.07 2a24 n GLU 35 N -3.35 0.11 -0.00 2.33 4.07 0.99 -3.34 120.64 121.45 2a24 n GLU 35 Ca -0.02 0.09 0.06 0.00 -0.06 0.00 0.00 57.16 57.23 2a24 n GLU 35 Cb 0.18 -1.63 -0.08 0.00 -0.06 0.00 0.00 31.44 29.85 2a24 n GLU 35 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2a24 n LEU 36 N -1.83 0.26 -4.63 4.31 4.32 -0.09 -4.80 117.00 114.54 2a24 n LEU 36 Ca 0.06 -0.24 -0.43 0.00 -0.02 0.00 0.00 56.01 55.39 2a24 n LEU 36 Cb 0.38 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.15 2a24 n LEU 36 CO 0.29 0.07 1.37 -0.76 -1.22 0.00 0.00 177.39 177.13 2a24 s LEU 37 N -3.22 3.89 0.00 2.23 1.43 -0.96 -2.55 118.68 119.50 2a24 s LEU 37 Ca -0.00 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 2a24 s LEU 37 Cb 0.08 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2a24 s LEU 37 CO 0.49 -1.26 0.00 0.61 0.23 0.00 0.00 176.35 176.42 2a24 n GLY 38 N 4.65 1.92 3.98 -3.19 0.00 -0.60 -5.02 105.19 106.94 2a24 n GLY 38 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.63 1.13 -0.05 1.61 1.70 -1.06 -4.98 118.95 116.68 2a24 s ARG 39 Ca 0.00 -0.95 -0.19 0.00 -0.47 0.00 0.00 55.73 54.12 2a24 s ARG 39 Cb 0.00 -2.14 -0.05 0.00 -0.57 0.00 0.00 34.95 32.19 2a24 s ARG 39 CO 0.00 -1.92 0.54 0.45 -1.08 0.00 0.00 175.30 173.30 2a24 s SER 40 N -4.85 6.86 0.42 -2.89 0.15 -1.26 -4.01 113.70 108.13 2a24 s SER 40 Ca 0.71 1.02 0.23 0.00 0.70 0.00 0.00 55.95 58.61 2a24 s SER 40 Cb -0.04 -2.33 0.65 0.00 -1.71 0.00 0.00 66.02 62.60 2a24 s SER 40 CO 0.48 0.07 1.71 0.00 1.20 0.00 0.00 173.24 176.70 2a24 h ALA 41 N 6.01 0.93 0.00 5.45 0.00 -1.86 -2.97 119.26 126.82 2a24 h ALA 41 Ca -0.44 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2a24 h ALA 41 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2a24 h ALA 41 CO 0.71 0.24 0.00 0.66 0.00 0.00 0.00 179.25 180.86 2a24 n TYR 42 N -3.23 0.00 0.47 0.00 4.02 -1.26 -2.57 117.16 114.59 2a24 n TYR 42 Ca 0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.02 2a24 n TYR 42 Cb 0.50 -0.35 0.45 0.00 -0.02 0.00 0.00 39.34 39.92 2a24 n TYR 42 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2a24 n GLU 43 N -1.35 0.16 -1.85 -0.72 1.02 -1.12 -3.47 120.64 113.31 2a24 n GLU 43 Ca 0.08 0.35 -0.03 0.00 -0.02 0.00 0.00 57.16 57.54 2a24 n GLU 43 Cb 0.17 -1.78 0.02 0.00 -0.02 0.00 0.00 31.44 29.84 2a24 n GLU 43 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2a24 n PHE 44 N -2.06 -0.46 -1.12 -0.32 1.16 -1.08 -4.98 117.46 108.60 2a24 n PHE 44 Ca 0.03 -1.09 -0.18 0.00 -1.87 0.00 0.00 57.45 54.34 2a24 n PHE 44 Cb 0.24 0.61 -0.05 0.00 -1.61 0.00 0.00 39.48 38.67 2a24 n PHE 44 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 2a24 n TYR 45 N -0.47 1.03 -2.76 2.97 4.02 -1.06 -4.32 117.16 116.57 2a24 n TYR 45 Ca -0.14 -1.74 -0.03 0.00 -0.01 0.00 0.00 57.90 55.97 2a24 n TYR 45 Cb 0.85 -1.23 -0.03 0.00 -0.02 0.00 0.00 39.34 38.91 2a24 n TYR 45 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2a24 n HIS 46 N 1.19 -3.22 -0.19 -0.72 8.25 -1.26 -3.71 115.22 115.56 2a24 n HIS 46 Ca 0.37 1.78 0.19 0.00 -0.26 0.00 0.00 57.72 59.80 2a24 n HIS 46 Cb 0.64 -3.16 0.54 0.00 1.12 0.00 0.00 29.99 29.14 2a24 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a24 h ALA 47 N 4.13 2.26 -0.12 -1.41 0.00 -1.93 0.20 119.26 122.39 2a24 h ALA 47 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2a24 h ALA 47 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2a24 h ALA 47 CO 0.02 -0.50 0.00 1.47 0.00 0.00 0.00 179.25 180.25 2a24 n LEU 48 N -4.46 2.66 -2.76 0.00 -0.00 -1.26 -4.29 117.00 106.89 2a24 n LEU 48 Ca 0.16 -0.97 -0.04 0.00 -0.00 0.00 0.00 56.01 55.16 2a24 n LEU 48 Cb 0.65 -0.06 0.05 0.00 -0.00 0.00 0.00 43.42 44.05 2a24 n LEU 48 CO 0.33 0.49 -0.02 0.47 -0.00 0.00 0.00 177.39 178.65 2a24 n ASP 49 N 1.04 1.31 0.02 1.45 8.00 0.55 -4.86 116.55 124.07 2a24 n ASP 49 Ca 0.16 -2.33 -0.19 0.00 0.71 0.00 0.00 54.79 53.14 2a24 n ASP 49 Cb 0.52 -0.42 -0.14 0.00 -0.02 0.00 0.00 41.12 41.06 2a24 n ASP 49 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2a24 h SER 50 N 2.70 0.40 -0.42 -2.24 0.02 -1.22 -3.36 113.55 109.44 2a24 h SER 50 Ca -0.14 -0.78 0.09 0.00 -0.84 0.00 0.00 61.79 60.12 2a24 h SER 50 Cb 1.23 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.56 2a24 h SER 50 CO 0.29 1.68 -0.17 -0.33 -1.14 0.00 0.00 176.83 177.17 2a24 h GLU 51 N 0.07 -0.08 -0.60 3.45 4.39 -1.89 0.76 114.58 120.68 2a24 h GLU 51 Ca -0.37 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.40 2a24 h GLU 51 Cb 2.05 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.68 2a24 h GLU 51 CO 0.12 -0.05 0.40 -0.91 -1.16 0.00 0.00 179.01 177.40 2a24 h ASN 52 N -0.08 0.51 -0.13 1.42 4.21 -1.96 -0.39 115.58 119.17 2a24 h ASN 52 Ca 0.21 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.62 2a24 h ASN 52 Cb 0.40 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 2a24 h ASN 52 CO -0.48 0.34 -0.31 0.24 -1.29 0.00 0.00 177.43 175.93 2a24 h MET 53 N 0.58 0.44 -0.80 0.81 2.86 -1.09 -1.85 114.93 115.88 2a24 h MET 53 Ca 0.26 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2a24 h MET 53 Cb 0.26 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 2a24 h MET 53 CO -0.07 0.91 0.35 1.15 1.06 0.00 0.00 176.91 180.31 2a24 h THR 54 N 0.03 1.26 -0.25 2.22 2.02 -0.29 0.47 112.91 118.37 2a24 h THR 54 Ca -0.00 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 2a24 h THR 54 Cb 0.92 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2a24 h THR 54 CO 0.07 0.32 0.03 0.11 0.37 0.00 0.00 175.52 176.42 2a24 h LYS 55 N 1.15 0.42 -0.36 6.66 1.79 -1.10 -0.76 116.57 124.36 2a24 h LYS 55 Ca 0.27 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.55 2a24 h LYS 55 Cb 0.17 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 2a24 h LYS 55 CO -0.03 0.55 -0.07 0.77 -1.08 0.00 0.00 179.45 179.60 2a24 h SER 56 N 0.22 0.58 -0.06 0.86 0.02 -1.07 0.63 113.55 114.73 2a24 h SER 56 Ca 0.07 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2a24 h SER 56 Cb 0.35 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 2a24 h SER 56 CO 0.01 0.70 0.04 -0.74 -1.14 0.00 0.00 176.83 175.69 2a24 h HIS 57 N 0.57 0.07 -0.26 3.45 -0.00 0.29 0.34 115.15 119.60 2a24 h HIS 57 Ca 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.41 2a24 h HIS 57 Cb 0.46 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 2a24 h HIS 57 CO 0.02 0.05 -0.13 1.96 -0.00 0.00 0.00 177.93 179.83 2a24 h GLN 58 N 0.08 0.54 -0.38 5.26 4.20 -0.88 -2.99 115.11 120.93 2a24 h GLN 58 Ca 0.02 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2a24 h GLN 58 Cb -0.01 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2a24 h GLN 58 CO -0.00 0.80 0.20 -0.97 -0.67 0.00 0.00 178.83 178.18 2a24 h ASN 59 N 0.27 0.49 -0.91 1.46 -1.24 -0.74 -2.84 115.58 112.07 2a24 h ASN 59 Ca 0.06 -0.11 0.08 0.00 0.71 0.00 0.00 56.30 57.04 2a24 h ASN 59 Cb 0.64 -0.12 -0.06 0.00 0.73 0.00 0.00 38.32 39.50 2a24 h ASN 59 CO 0.04 0.46 0.59 0.25 -1.29 0.00 0.00 177.43 177.47 2a24 h LEU 60 N 0.48 0.87 -1.32 0.34 5.85 -0.34 -1.35 115.31 119.85 2a24 h LEU 60 Ca 0.13 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2a24 h LEU 60 Cb 0.09 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2a24 h LEU 60 CO -0.02 0.53 0.47 0.00 -0.34 0.00 0.00 178.44 179.08 2a24 n THR 62 N -4.44 2.98 0.08 0.00 -1.04 -0.57 -4.57 114.28 106.73 2a24 n THR 62 Ca 0.08 -2.42 0.00 0.00 -2.04 0.00 0.00 64.05 59.67 2a24 n THR 62 Cb 0.06 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 2a24 n THR 62 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2a24 n LYS 63 N -1.11 0.00 0.00 -2.82 4.76 -0.70 -5.04 118.16 113.26 2a24 n LYS 63 Ca 0.50 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 2a24 n LYS 63 Cb 1.32 -0.04 0.00 0.00 -1.84 0.00 0.00 35.03 34.48 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 1.63 2.44 2.95 0.72 0.00 0.10 -4.99 105.19 108.04 2a24 n GLY 64 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 0.11 0.03 1.61 0.74 -1.26 -1.12 119.66 119.78 2a24 s GLN 65 Ca 0.00 0.58 0.05 0.00 0.05 0.00 0.00 55.36 56.05 2a24 s GLN 65 Cb 0.00 -0.15 -0.02 0.00 1.10 0.00 0.00 33.01 33.94 2a24 s GLN 65 CO 0.00 -0.25 -0.16 0.54 -0.55 0.00 0.00 175.29 174.88 2a24 s VAL 66 N 1.94 1.24 -0.43 1.34 0.11 0.15 -4.96 120.40 119.79 2a24 s VAL 66 Ca -0.02 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2a24 s VAL 66 Cb -0.12 -1.09 0.12 0.00 -1.53 0.00 0.00 36.38 33.76 2a24 s VAL 66 CO -0.07 0.10 0.19 -0.69 -3.33 0.00 0.00 175.10 171.30 2a24 s VAL 67 N -0.75 2.91 -0.40 2.04 1.01 -1.26 -0.24 120.40 123.71 2a24 s VAL 67 Ca 0.04 -2.46 -0.23 0.00 0.00 0.00 0.00 61.98 59.33 2a24 s VAL 67 Cb -0.08 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2a24 s VAL 67 CO 0.01 -0.70 0.76 -0.44 0.00 0.00 0.00 175.10 174.73 2a24 s SER 68 N 1.06 6.48 0.85 3.32 0.01 0.44 -5.01 113.70 120.84 2a24 s SER 68 Ca 0.12 0.13 -0.12 0.00 1.31 0.00 0.00 55.95 57.39 2a24 s SER 68 Cb -0.22 -2.38 0.10 0.00 0.21 0.00 0.00 66.02 63.73 2a24 s SER 68 CO -0.05 -0.79 1.12 0.61 0.41 0.00 0.00 173.24 174.54 2a24 n GLY 69 N 4.74 -0.30 3.66 3.44 0.00 -1.26 -1.28 105.19 114.19 2a24 n GLY 69 Ca 0.02 -0.57 -0.62 0.00 0.00 0.00 0.00 46.02 44.85 2a24 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a24 n GLN 70 N -3.40 0.48 -4.60 1.61 10.64 -1.26 -4.60 117.38 116.25 2a24 n GLN 70 Ca 0.13 0.17 -0.31 0.00 -1.83 0.00 0.00 57.00 55.16 2a24 n GLN 70 Cb 0.51 -1.77 -0.07 0.00 -0.86 0.00 0.00 30.24 28.05 2a24 n GLN 70 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 2a24 n TYR 71 N 5.27 0.91 -2.90 2.61 0.18 0.48 -4.81 117.16 118.90 2a24 n TYR 71 Ca 0.33 -2.53 -0.43 0.00 1.88 0.00 0.00 57.90 57.14 2a24 n TYR 71 Cb 0.03 -0.25 -0.04 0.00 -0.38 0.00 0.00 39.34 38.70 2a24 n TYR 71 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2a24 s ARG 72 N -3.76 3.10 0.04 -3.48 0.52 -1.26 -0.66 118.95 113.45 2a24 s ARG 72 Ca 0.05 -0.93 -0.25 0.00 -0.52 0.00 0.00 55.73 54.09 2a24 s ARG 72 Cb 0.00 -4.24 -0.05 0.00 0.52 0.00 0.00 34.95 31.17 2a24 s ARG 72 CO 0.04 -1.77 0.75 1.41 0.02 0.00 0.00 175.30 175.75 2a24 s MET 73 N 3.82 4.48 -0.12 3.54 1.75 0.23 -4.67 119.30 128.33 2a24 s MET 73 Ca 0.20 1.04 -0.29 0.00 -1.25 0.00 0.00 55.69 55.39 2a24 s MET 73 Cb -0.18 -3.36 -0.01 0.00 2.84 0.00 0.00 34.83 34.12 2a24 s MET 73 CO 0.09 0.29 0.98 -1.17 -0.65 0.00 0.00 175.02 174.56 2a24 s LEU 74 N -0.07 4.23 0.47 4.11 2.96 -1.26 0.27 118.68 129.39 2a24 s LEU 74 Ca 0.38 1.46 0.07 0.00 -0.22 0.00 0.00 54.13 55.83 2a24 s LEU 74 Cb -0.20 -3.50 0.01 0.00 0.50 0.00 0.00 46.19 43.00 2a24 s LEU 74 CO 0.22 -0.45 0.47 0.00 -1.32 0.00 0.00 176.35 175.28 2a24 s ALA 75 N 2.09 4.31 -1.25 5.97 0.00 -0.11 -4.96 121.76 127.81 2a24 s ALA 75 Ca 0.46 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.52 2a24 s ALA 75 Cb -0.18 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 2a24 s ALA 75 CO 0.16 -0.39 2.28 1.17 0.00 0.00 0.00 175.76 178.99 2a24 n LYS 76 N -1.75 2.58 0.00 0.00 4.81 0.75 -2.79 118.16 121.76 2a24 n LYS 76 Ca 0.05 -2.18 0.00 0.00 -0.87 0.00 0.00 58.31 55.31 2a24 n LYS 76 Cb 0.62 -2.99 0.00 0.00 0.02 0.00 0.00 35.03 32.68 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 5.69 0.00 -0.48 5.64 1.44 -1.26 -4.95 115.22 121.30 2a24 n HIS 77 Ca 0.56 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.27 2a24 n HIS 77 Cb 0.33 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.44 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 1.13 3.85 -1.39 0.00 -1.12 -4.98 105.19 102.68 2a24 n GLY 78 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 2.19 -0.34 -0.02 0.00 -1.26 -4.87 107.32 101.01 2a24 s GLY 79 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.77 2a24 s GLY 79 CO 0.00 0.31 0.08 -0.19 0.00 0.00 0.00 173.10 173.29 2a24 s TYR 80 N -2.26 3.38 -0.02 1.90 1.51 0.11 -0.94 117.35 121.04 2a24 s TYR 80 Ca 0.56 -2.03 -0.18 0.00 -1.01 0.00 0.00 57.07 54.41 2a24 s TYR 80 Cb -0.10 -2.50 -0.05 0.00 -0.11 0.00 0.00 41.96 39.20 2a24 s TYR 80 CO 0.23 -0.85 0.50 0.08 -1.11 0.00 0.00 175.55 174.40 2a24 s VAL 81 N 1.22 4.98 -0.46 0.71 1.01 0.14 0.34 120.40 128.35 2a24 s VAL 81 Ca -0.00 1.04 -0.28 0.00 0.00 0.00 0.00 61.98 62.73 2a24 s VAL 81 Cb -0.21 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2a24 s VAL 81 CO -0.02 0.47 1.44 0.26 0.00 0.00 0.00 175.10 177.25 2a24 s TRP 82 N -0.42 2.32 -0.01 5.22 0.52 -0.99 0.77 118.94 126.35 2a24 s TRP 82 Ca 0.27 0.61 0.06 0.00 0.02 0.00 0.00 56.10 57.06 2a24 s TRP 82 Cb -0.17 -4.33 -0.02 0.00 -1.15 0.00 0.00 33.47 27.80 2a24 s TRP 82 CO 0.15 -2.02 -0.20 -0.51 0.02 0.00 0.00 176.95 174.39 2a24 s LEU 83 N 5.81 2.05 -0.17 2.99 1.02 0.17 -3.10 118.68 127.44 2a24 s LEU 83 Ca 0.59 -0.37 -0.07 0.00 0.02 0.00 0.00 54.13 54.30 2a24 s LEU 83 Cb -0.13 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.03 2a24 s LEU 83 CO 0.30 0.23 0.05 -0.70 0.02 0.00 0.00 176.35 176.26 2a24 s GLU 84 N -0.53 3.88 -0.12 1.70 2.12 0.04 -0.39 118.70 125.39 2a24 s GLU 84 Ca 0.08 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 55.07 2a24 s GLU 84 Cb -0.08 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.15 2a24 s GLU 84 CO -0.01 0.32 -0.20 0.99 -0.54 0.00 0.00 175.26 175.82 2a24 s THR 85 N 0.24 2.36 -0.47 -1.70 2.01 -0.40 0.77 115.64 118.45 2a24 s THR 85 Ca 0.03 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.07 2a24 s THR 85 Cb -0.12 -1.95 0.12 0.00 0.01 0.00 0.00 72.50 70.56 2a24 s THR 85 CO 0.01 0.54 0.31 -1.58 -0.69 0.00 0.00 174.62 173.21 2a24 s GLN 86 N 0.51 2.34 -0.70 4.92 0.74 0.17 -0.42 119.66 127.21 2a24 s GLN 86 Ca -0.13 -1.84 -0.27 0.00 0.05 0.00 0.00 55.36 53.17 2a24 s GLN 86 Cb -0.17 -3.81 0.03 0.00 1.10 0.00 0.00 33.01 30.17 2a24 s GLN 86 CO 0.05 -1.15 1.24 0.20 -0.55 0.00 0.00 175.29 175.07 2a24 s GLY 87 N 2.26 0.96 -0.51 2.59 0.00 0.67 -1.63 107.32 111.66 2a24 s GLY 87 Ca 0.07 -1.29 -0.04 0.00 0.00 0.00 0.00 44.72 43.47 2a24 s GLY 87 CO -0.02 2.58 0.32 -1.59 0.00 0.00 0.00 173.10 174.39 2a24 s THR 88 N 5.47 3.59 -0.18 0.90 2.01 0.11 -0.67 115.64 126.87 2a24 s THR 88 Ca 0.36 -2.41 -0.29 0.00 0.31 0.00 0.00 61.69 59.66 2a24 s THR 88 Cb -0.08 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 2a24 s THR 88 CO 0.17 -0.78 1.49 -0.69 -0.69 0.00 0.00 174.62 174.12 2a24 s VAL 89 N 0.65 3.87 -0.16 3.82 1.01 -0.28 -1.68 120.40 127.64 2a24 s VAL 89 Ca 0.12 1.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 2a24 s VAL 89 Cb -0.22 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2a24 s VAL 89 CO -0.04 -0.22 1.41 -0.63 0.00 0.00 0.00 175.10 175.62 2a24 s ILE 90 N 4.39 4.02 -0.66 2.22 1.01 0.97 -4.87 121.20 128.27 2a24 s ILE 90 Ca 0.66 1.22 -0.28 0.00 0.00 0.00 0.00 60.65 62.25 2a24 s ILE 90 Cb -0.25 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.40 2a24 s ILE 90 CO 0.25 -0.18 1.26 -0.31 0.00 0.00 0.00 174.94 175.96 2a24 s TYR 91 N 3.94 2.40 -0.35 3.97 1.51 -1.26 -2.95 117.35 124.61 2a24 s TYR 91 Ca 0.61 0.18 -0.37 0.00 -1.01 0.00 0.00 57.07 56.48 2a24 s TYR 91 Cb -0.24 -4.56 -0.13 0.00 -0.11 0.00 0.00 41.96 36.91 2a24 s TYR 91 CO 0.21 -1.88 2.10 -1.71 -1.11 0.00 0.00 175.55 173.16 2a24 n ASN 92 N 9.08 2.02 0.00 2.29 2.85 0.54 -4.73 115.26 127.30 2a24 n ASN 92 Ca 0.06 0.57 0.05 0.00 -0.11 0.00 0.00 54.58 55.15 2a24 n ASN 92 Cb 0.49 -1.19 0.21 0.00 1.24 0.00 0.00 39.78 40.53 2a24 n ASN 92 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2a24 n PRO 93 N 7.61 0.00 0.10 1.20 -0.04 -1.26 0.11 135.00 142.72 2a24 n PRO 93 Ca 0.40 0.33 -0.16 0.00 -0.04 0.00 0.00 63.50 64.03 2a24 n PRO 93 Cb 0.18 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.31 -0.00 0.54 2.43 -1.95 -3.37 114.38 112.34 2a24 h ARG 94 Ca 0.00 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2a24 h ARG 94 Cb 0.17 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2a24 h ARG 94 CO 0.00 1.22 -0.04 -1.71 -1.51 0.00 0.00 179.97 177.93 2a24 n ASN 95 N -3.58 0.07 -2.15 -3.80 2.85 -1.03 -5.01 115.26 102.61 2a24 n ASN 95 Ca -0.09 -0.54 -0.16 0.00 -0.11 0.00 0.00 54.58 53.69 2a24 n ASN 95 Cb 1.00 0.97 0.02 0.00 1.24 0.00 0.00 39.78 43.01 2a24 n ASN 95 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2a24 n LEU 96 N -0.99 -2.29 -4.24 1.20 7.99 0.31 -5.02 117.00 113.96 2a24 n LEU 96 Ca 0.00 -0.18 -0.17 0.00 -0.01 0.00 0.00 56.01 55.64 2a24 n LEU 96 Cb 0.01 -2.26 -0.11 0.00 -0.11 0.00 0.00 43.42 40.96 2a24 n LEU 96 CO 0.02 0.13 -0.44 0.00 -1.51 0.00 0.00 177.39 175.59 2a24 s GLN 97 N -5.29 1.04 0.34 3.23 -2.07 -1.14 -4.89 119.66 110.87 2a24 s GLN 97 Ca 0.19 -1.28 -0.28 0.00 -1.82 0.00 0.00 55.36 52.18 2a24 s GLN 97 Cb -0.08 -0.86 -0.09 0.00 -1.09 0.00 0.00 33.01 30.88 2a24 s GLN 97 CO 0.24 0.16 1.16 -1.25 -1.32 0.00 0.00 175.29 174.27 2a24 s PRO 98 N -2.85 4.37 0.00 9.60 0.04 -1.26 -0.34 135.00 144.56 2a24 s PRO 98 Ca 0.10 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2a24 s PRO 98 Cb -0.04 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2a24 s PRO 98 CO 0.03 -0.06 0.00 0.94 0.04 0.00 0.00 177.00 177.95 2a24 n GLN 99 N 0.68 0.00 -2.43 4.56 7.27 -1.15 -4.87 117.38 121.43 2a24 n GLN 99 Ca 0.01 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.67 2a24 n GLN 99 Cb 0.45 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.07 2a24 n GLN 99 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2a24 s ILE 101 N 5.91 4.09 -0.56 0.00 1.01 0.43 -0.02 121.20 132.05 2a24 s ILE 101 Ca 0.50 -1.10 -0.28 0.00 0.00 0.00 0.00 60.65 59.77 2a24 s ILE 101 Cb -0.10 -5.04 0.01 0.00 0.01 0.00 0.00 42.46 37.34 2a24 s ILE 101 CO 0.24 -1.89 1.42 -0.32 0.00 0.00 0.00 174.94 174.39 2a24 s MET 102 N 4.47 3.30 -0.27 2.79 -2.45 -0.68 -0.39 119.30 126.07 2a24 s MET 102 Ca 0.45 0.47 -0.06 0.00 -1.25 0.00 0.00 55.69 55.30 2a24 s MET 102 Cb -0.00 -4.13 -0.00 0.00 1.25 0.00 0.00 34.83 31.95 2a24 s MET 102 CO -0.07 -1.94 0.05 0.00 1.05 0.00 0.00 175.02 174.11 2a24 s VAL 104 N 1.51 4.99 -0.31 0.00 1.01 -0.65 -1.69 120.40 125.27 2a24 s VAL 104 Ca 0.04 1.14 -0.09 0.00 0.00 0.00 0.00 61.98 63.07 2a24 s VAL 104 Cb -0.16 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2a24 s VAL 104 CO 0.01 0.04 0.13 0.21 0.00 0.00 0.00 175.10 175.50 2a24 s ASN 105 N 1.42 5.42 -0.32 3.32 3.84 -1.07 -0.66 114.94 126.89 2a24 s ASN 105 Ca 0.26 -0.61 -0.15 0.00 0.21 0.00 0.00 52.86 52.57 2a24 s ASN 105 Cb -0.16 -1.96 -0.02 0.00 -0.55 0.00 0.00 41.25 38.56 2a24 s ASN 105 CO 0.09 -0.21 0.38 -0.31 -2.79 0.00 0.00 177.10 174.26 2a24 s TYR 106 N 1.57 3.22 -0.23 0.43 2.02 0.23 -3.42 117.35 121.17 2a24 s TYR 106 Ca 0.04 0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.65 2a24 s TYR 106 Cb -0.17 -2.67 -0.01 0.00 -0.40 0.00 0.00 41.96 38.71 2a24 s TYR 106 CO 0.05 -0.38 0.75 0.08 -1.57 0.00 0.00 175.55 174.49 2a24 s VAL 107 N 2.08 4.90 0.15 0.71 1.01 -1.26 -0.78 120.40 127.20 2a24 s VAL 107 Ca 0.14 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2a24 s VAL 107 Cb -0.16 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2a24 s VAL 107 CO 0.11 -0.01 0.00 0.18 0.00 0.00 0.00 175.10 175.38 2a24 n LEU 108 N 5.71 0.43 0.00 3.92 4.77 -1.18 -4.66 117.00 126.00 2a24 n LEU 108 Ca 0.03 0.23 -0.15 0.00 -0.03 0.00 0.00 56.01 56.09 2a24 n LEU 108 Cb 0.48 -0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.68 2a24 n LEU 108 CO 0.46 -0.72 0.41 -1.20 -1.33 0.00 0.00 177.39 175.01 2a24 n SER 109 N -3.28 -0.41 -2.20 -1.43 7.64 -1.22 -5.05 113.62 107.66 2a24 n SER 109 Ca 0.00 -1.13 -0.03 0.00 1.01 0.00 0.00 58.87 58.73 2a24 n SER 109 Cb 0.00 -0.52 0.02 0.00 -1.01 0.00 0.00 64.21 62.70 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 -2.65 0.15 -4.18 1.43 0.00 -1.26 -4.46 120.64 109.67 2a24 n GLU 110 Ca 0.08 -0.22 -0.35 0.00 0.00 0.00 0.00 57.16 56.67 2a24 n GLU 110 Cb 0.30 -0.10 -0.09 0.00 0.00 0.00 0.00 31.44 31.54 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 -0.78 4.62 -2.81 3.84 1.01 -1.26 -2.35 121.20 123.47 2a24 s ILE 111 Ca 0.07 -0.12 0.22 0.00 0.00 0.00 0.00 60.65 60.83 2a24 s ILE 111 Cb -0.00 -3.01 0.18 0.00 0.01 0.00 0.00 42.46 39.64 2a24 s ILE 111 CO 0.05 0.55 1.21 -0.62 0.00 0.00 0.00 174.94 176.13