#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 2.19 -0.13 3.15 2.01 -1.26 -1.86 115.64 119.73 2a24 s THR 7 Ca 0.00 -1.62 -0.09 0.00 0.31 0.00 0.00 61.69 60.29 2a24 s THR 7 Cb 0.00 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.64 2a24 s THR 7 CO 0.00 0.18 0.33 0.72 -0.69 0.00 0.00 174.62 175.16 2a24 s PHE 8 N -0.98 -0.44 -0.20 4.92 -0.71 -0.39 -4.88 117.98 115.29 2a24 s PHE 8 Ca 0.13 1.00 -0.08 0.00 -1.04 0.00 0.00 56.93 56.94 2a24 s PHE 8 Cb -0.10 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 2a24 s PHE 8 CO 0.05 -0.26 0.09 -1.17 -1.34 0.00 0.00 175.22 172.59 2a24 s LEU 9 N 1.00 3.87 -0.04 -1.99 1.98 -1.26 -2.60 118.68 119.64 2a24 s LEU 9 Ca -0.07 0.06 0.05 0.00 -2.89 0.00 0.00 54.13 51.29 2a24 s LEU 9 Cb -0.07 -2.00 -0.01 0.00 0.66 0.00 0.00 46.19 44.77 2a24 s LEU 9 CO -0.08 0.13 -0.18 -0.94 -1.89 0.00 0.00 176.35 173.39 2a24 s SER 10 N 0.67 2.25 -0.15 3.68 1.04 -1.18 -2.86 113.70 117.15 2a24 s SER 10 Ca 0.05 -0.36 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 2a24 s SER 10 Cb -0.13 -0.52 -0.04 0.00 0.10 0.00 0.00 66.02 65.43 2a24 s SER 10 CO 0.01 0.18 0.40 -0.60 0.98 0.00 0.00 173.24 174.22 2a24 s ARG 11 N -0.11 4.28 0.06 4.02 3.52 0.76 -2.23 118.95 129.25 2a24 s ARG 11 Ca -0.01 0.29 0.09 0.00 -0.13 0.00 0.00 55.73 55.97 2a24 s ARG 11 Cb -0.11 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2a24 s ARG 11 CO 0.02 0.15 -0.25 -1.01 -0.81 0.00 0.00 175.30 173.39 2a24 s HIS 12 N 0.71 2.35 -0.03 5.12 3.76 0.02 -0.60 115.29 126.63 2a24 s HIS 12 Ca 0.22 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.75 2a24 s HIS 12 Cb -0.14 -1.38 0.02 0.00 1.11 0.00 0.00 32.58 32.18 2a24 s HIS 12 CO 0.08 0.17 -0.03 -1.12 -0.85 0.00 0.00 174.74 172.99 2a24 s SER 13 N -1.37 0.66 0.00 1.40 0.01 -1.20 -0.01 113.70 113.18 2a24 s SER 13 Ca 0.12 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2a24 s SER 13 Cb -0.10 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2a24 s SER 13 CO 0.03 -0.05 0.00 0.80 0.41 0.00 0.00 173.24 174.43 2a24 n MET 14 N 3.86 0.00 0.00 12.44 1.56 -1.26 -2.34 117.12 131.38 2a24 n MET 14 Ca -0.24 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.27 2a24 n MET 14 Cb 0.52 0.00 0.44 0.00 2.15 0.00 0.00 33.22 36.33 2a24 n MET 14 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2a24 n ASP 15 N 1.48 0.00 -0.40 6.12 2.03 -1.26 -4.80 116.55 119.72 2a24 n ASP 15 Ca 0.00 -0.42 -0.05 0.00 0.52 0.00 0.00 54.79 54.84 2a24 n ASP 15 Cb 0.00 -0.02 -0.02 0.00 -0.72 0.00 0.00 41.12 40.35 2a24 n ASP 15 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2a24 n MET 16 N -1.02 -0.97 -1.75 -0.67 0.00 -0.99 -4.89 117.12 106.83 2a24 n MET 16 Ca 0.11 0.56 -0.30 0.00 0.00 0.00 0.00 57.70 58.07 2a24 n MET 16 Cb 0.06 -4.46 0.07 0.00 0.00 0.00 0.00 33.22 28.89 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 -1.94 2.45 -0.47 2.12 -2.85 -1.26 -4.69 119.74 113.09 2a24 s LYS 17 Ca 0.00 0.50 -0.28 0.00 -1.00 0.00 0.00 55.97 55.19 2a24 s LYS 17 Cb 0.00 -1.97 -0.01 0.00 -2.06 0.00 0.00 37.83 33.79 2a24 s LYS 17 CO 0.00 -1.33 1.68 -0.06 0.10 0.00 0.00 175.35 175.73 2a24 s PHE 18 N -3.30 1.95 -0.12 1.78 0.40 -1.26 -3.22 117.98 114.23 2a24 s PHE 18 Ca 0.60 0.65 0.21 0.00 -0.60 0.00 0.00 56.93 57.78 2a24 s PHE 18 Cb -0.12 -4.20 -0.22 0.00 0.51 0.00 0.00 43.02 38.99 2a24 s PHE 18 CO 0.52 -2.41 0.59 2.41 0.70 0.00 0.00 175.22 177.04 2a24 n THR 19 N 7.19 0.55 -3.67 0.64 -1.04 0.23 -0.64 114.28 117.54 2a24 n THR 19 Ca 0.19 -0.60 -0.08 0.00 -2.04 0.00 0.00 64.05 61.52 2a24 n THR 19 Cb 0.49 -0.27 -0.09 0.00 -1.82 0.00 0.00 70.33 68.64 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 -3.23 -0.84 0.09 -1.42 5.04 -0.85 -4.72 117.35 111.42 2a24 s TYR 20 Ca -0.06 1.66 0.06 0.00 -2.44 0.00 0.00 57.07 56.29 2a24 s TYR 20 Cb 0.11 0.42 -0.04 0.00 0.35 0.00 0.00 41.96 42.80 2a24 s TYR 20 CO 0.86 -0.46 -0.07 0.00 -1.34 0.00 0.00 175.55 174.54 2a24 s ASP 22 N -2.14 6.01 0.42 0.00 -1.08 -1.13 -4.95 116.67 113.80 2a24 s ASP 22 Ca 0.22 1.76 0.29 0.00 -0.52 0.00 0.00 52.55 54.30 2a24 s ASP 22 Cb -0.11 -2.53 1.09 0.00 -1.46 0.00 0.00 42.92 39.91 2a24 s ASP 22 CO 0.14 -1.01 1.84 -2.24 0.52 0.00 0.00 175.17 174.42 2a24 h ASP 23 N 0.59 0.00 -0.06 -0.34 2.03 -1.98 -2.63 116.42 114.04 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 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2a24 h ASP 23 CO 0.58 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 179.33 2a24 n ARG 24 N -2.76 1.57 0.14 4.15 1.74 -1.26 -3.94 116.66 116.30 2a24 n ARG 24 Ca 0.02 -0.84 -0.01 0.00 -0.77 0.00 0.00 57.85 56.25 2a24 n ARG 24 Cb 0.32 -1.45 0.16 0.00 -1.02 0.00 0.00 32.46 30.47 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 1.91 1.38 0.00 0.55 2.10 -1.82 -3.08 117.51 118.55 2a24 h ILE 25 Ca 0.00 -2.18 0.00 0.00 1.08 0.00 0.00 64.86 63.76 2a24 h ILE 25 Cb 0.41 2.20 0.00 0.00 -1.09 0.00 0.00 36.82 38.34 2a24 h ILE 25 CO 0.00 0.61 0.00 0.74 -1.08 0.00 0.00 178.15 178.42 2a24 h THR 26 N 0.00 0.00 -0.10 2.19 2.02 -1.69 -0.19 112.91 115.13 2a24 h THR 26 Ca -0.01 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2a24 h THR 26 Cb 1.15 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2a24 h THR 26 CO 0.08 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.35 2a24 n GLU 27 N -3.01 2.23 0.05 6.66 1.02 -1.16 -3.31 120.64 123.13 2a24 n GLU 27 Ca 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 2a24 n GLU 27 Cb 0.28 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2a24 n GLU 27 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2a24 n LEU 28 N 1.15 1.03 0.06 -4.62 4.77 -0.91 -4.83 117.00 113.64 2a24 n LEU 28 Ca 0.16 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 2a24 n LEU 28 Cb 0.55 -0.30 -0.14 0.00 -2.33 0.00 0.00 43.42 41.21 2a24 n LEU 28 CO 0.15 -0.73 -0.17 0.40 -1.33 0.00 0.00 177.39 175.71 2a24 h ILE 29 N 0.00 1.33 0.00 -0.08 2.04 -1.30 -3.48 117.51 116.03 2a24 h ILE 29 Ca 0.00 -3.01 0.00 0.00 1.00 0.00 0.00 64.86 62.85 2a24 h ILE 29 Cb 0.05 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2a24 h ILE 29 CO 0.00 0.83 0.00 0.61 0.00 0.00 0.00 178.15 179.59 2a24 n GLY 30 N 1.54 3.09 3.77 5.37 0.00 -1.12 -0.19 105.19 117.64 2a24 n GLY 30 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.65 3.02 0.17 1.61 2.02 -1.26 -4.84 117.35 115.42 2a24 s TYR 31 Ca 0.00 1.56 -0.30 0.00 -0.37 0.00 0.00 57.07 57.96 2a24 s TYR 31 Cb 0.00 -3.35 -0.08 0.00 -0.40 0.00 0.00 41.96 38.13 2a24 s TYR 31 CO 0.00 -1.30 1.15 -1.01 -1.57 0.00 0.00 175.55 172.82 2a24 s HIS 32 N -1.50 3.50 0.22 2.71 3.76 -1.26 -4.00 115.29 118.73 2a24 s HIS 32 Ca 0.60 1.50 -0.10 0.00 -0.15 0.00 0.00 55.06 56.91 2a24 s HIS 32 Cb -0.29 -3.36 0.33 0.00 1.11 0.00 0.00 32.58 30.38 2a24 s HIS 32 CO 0.36 -0.92 1.67 -1.35 -0.85 0.00 0.00 174.74 173.64 2a24 h PRO 33 N 5.30 0.16 0.00 8.40 0.11 -1.94 -0.64 132.00 143.40 2a24 h PRO 33 Ca -0.44 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 2a24 h PRO 33 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2a24 h PRO 33 CO 0.74 0.10 -0.28 1.05 -0.21 0.00 0.00 178.00 179.40 2a24 h GLU 34 N 0.16 0.00 -0.39 1.05 9.09 -1.94 -2.74 114.58 119.80 2a24 h GLU 34 Ca 0.34 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.62 2a24 h GLU 34 Cb 0.55 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.64 2a24 h GLU 34 CO -0.51 0.28 -0.27 1.49 0.05 0.00 0.00 179.01 180.05 2a24 h GLU 35 N 0.00 0.83 0.00 1.06 4.22 -1.51 -2.71 114.58 116.48 2a24 h GLU 35 Ca -0.00 -0.37 0.00 0.00 0.08 0.00 0.00 59.36 59.07 2a24 h GLU 35 Cb 0.67 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2a24 h GLU 35 CO 0.04 1.01 -0.04 1.28 -2.18 0.00 0.00 179.01 179.11 2a24 n LEU 36 N -4.09 0.63 -4.59 1.64 4.32 -1.06 -4.62 117.00 109.23 2a24 n LEU 36 Ca -0.01 0.53 -0.42 0.00 -0.02 0.00 0.00 56.01 56.10 2a24 n LEU 36 Cb 0.47 -0.35 -0.03 0.00 -1.62 0.00 0.00 43.42 41.89 2a24 n LEU 36 CO 0.46 -0.13 1.63 -0.76 -1.22 0.00 0.00 177.39 177.37 2a24 s LEU 37 N -4.16 3.45 0.00 2.23 1.43 -1.02 -2.37 118.68 118.23 2a24 s LEU 37 Ca 0.11 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 2a24 s LEU 37 Cb 0.14 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 43.10 2a24 s LEU 37 CO 0.59 -1.96 0.00 0.61 0.23 0.00 0.00 176.35 175.82 2a24 n GLY 38 N 5.57 0.71 3.84 -3.19 0.00 0.19 -5.01 105.19 107.30 2a24 n GLY 38 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.60 3.03 0.15 1.61 1.70 -1.00 -5.03 118.95 118.81 2a24 s ARG 39 Ca 0.00 -0.90 -0.31 0.00 -0.47 0.00 0.00 55.73 54.05 2a24 s ARG 39 Cb 0.00 -2.68 -0.11 0.00 -0.57 0.00 0.00 34.95 31.59 2a24 s ARG 39 CO 0.00 0.45 1.81 -1.12 -1.08 0.00 0.00 175.30 175.36 2a24 s SER 40 N -3.51 6.40 0.23 -2.89 0.01 -1.26 -4.03 113.70 108.65 2a24 s SER 40 Ca 0.32 2.81 0.18 0.00 1.31 0.00 0.00 55.95 60.58 2a24 s SER 40 Cb -0.09 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.61 2a24 s SER 40 CO 0.25 -1.00 1.23 0.00 0.41 0.00 0.00 173.24 174.13 2a24 h ALA 41 N 8.07 0.69 0.00 1.44 0.00 -1.90 -3.28 119.26 124.28 2a24 h ALA 41 Ca -0.45 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2a24 h ALA 41 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2a24 h ALA 41 CO 0.95 0.47 0.00 0.66 0.00 0.00 0.00 179.25 181.33 2a24 n TYR 42 N -3.01 0.00 0.18 0.00 4.01 -1.26 -1.09 117.16 115.99 2a24 n TYR 42 Ca -0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.78 2a24 n TYR 42 Cb 0.69 -0.42 0.33 0.00 -0.31 0.00 0.00 39.34 39.63 2a24 n TYR 42 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2a24 h GLU 43 N 0.00 0.00 0.00 -0.72 4.39 -1.97 -3.24 114.58 113.03 2a24 h GLU 43 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2a24 h GLU 43 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2a24 h GLU 43 CO 0.00 0.39 -0.38 1.97 -1.16 0.00 0.00 179.01 179.83 2a24 n PHE 44 N -3.56 0.00 -1.07 4.33 1.16 -0.83 -4.92 117.46 112.57 2a24 n PHE 44 Ca -0.00 -0.29 -0.22 0.00 -1.87 0.00 0.00 57.45 55.07 2a24 n PHE 44 Cb 0.51 -0.08 -0.11 0.00 -1.61 0.00 0.00 39.48 38.20 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 -0.38 0.94 -2.60 2.97 4.01 -0.25 -3.80 117.16 118.05 2a24 n TYR 45 Ca 0.04 -2.06 -0.05 0.00 -0.16 0.00 0.00 57.90 55.67 2a24 n TYR 45 Cb 0.69 -1.90 -0.04 0.00 -0.31 0.00 0.00 39.34 37.79 2a24 n TYR 45 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2a24 n HIS 46 N 2.99 -4.38 -0.29 -0.72 8.25 -1.26 -3.47 115.22 116.34 2a24 n HIS 46 Ca 0.55 2.56 0.15 0.00 -0.26 0.00 0.00 57.72 60.71 2a24 n HIS 46 Cb 0.60 -3.81 0.40 0.00 1.12 0.00 0.00 29.99 28.30 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 4.20 1.90 -0.02 -1.41 0.00 -1.86 0.17 119.26 122.23 2a24 h ALA 47 Ca -0.51 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2a24 h ALA 47 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2a24 h ALA 47 CO 0.01 -0.20 -0.12 1.47 0.00 0.00 0.00 179.25 180.42 2a24 n LEU 48 N -4.61 2.11 -1.08 0.00 -0.00 -1.26 -4.14 117.00 108.03 2a24 n LEU 48 Ca 0.20 -0.71 0.04 0.00 -0.00 0.00 0.00 56.01 55.55 2a24 n LEU 48 Cb 0.58 -0.02 0.12 0.00 -0.00 0.00 0.00 43.42 44.10 2a24 n LEU 48 CO 0.27 0.36 0.21 0.47 -0.00 0.00 0.00 177.39 178.71 2a24 n ASP 49 N 0.49 1.44 0.09 1.45 8.00 0.34 -4.77 116.55 123.58 2a24 n ASP 49 Ca 0.14 -3.00 -0.14 0.00 0.71 0.00 0.00 54.79 52.51 2a24 n ASP 49 Cb 0.47 -0.42 -0.09 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 1.05 0.42 -0.55 -2.24 0.02 -0.84 -3.04 113.55 108.38 2a24 h SER 50 Ca -0.10 -0.40 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 2a24 h SER 50 Cb 1.43 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 2a24 h SER 50 CO 0.06 1.25 0.12 -0.08 -1.14 0.00 0.00 176.83 177.04 2a24 h GLU 51 N 0.13 0.88 -0.64 3.45 4.22 -1.86 -1.81 114.58 118.96 2a24 h GLU 51 Ca -0.10 -0.22 -0.01 0.00 0.08 0.00 0.00 59.36 59.11 2a24 h GLU 51 Cb 1.77 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.88 2a24 h GLU 51 CO 0.18 0.84 0.34 -0.91 -2.18 0.00 0.00 179.01 177.28 2a24 h ASN 52 N 0.78 0.79 -0.42 1.04 -0.26 -1.91 -1.45 115.58 114.16 2a24 h ASN 52 Ca 0.17 -0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 55.76 2a24 h ASN 52 Cb 0.36 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 2a24 h ASN 52 CO 0.00 0.64 -0.08 0.24 -1.06 0.00 0.00 177.43 177.17 2a24 h MET 53 N 0.89 0.79 -0.49 0.81 2.86 -1.32 -0.64 114.93 117.82 2a24 h MET 53 Ca 0.23 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2a24 h MET 53 Cb 0.03 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2a24 h MET 53 CO -0.04 0.90 0.25 1.15 1.06 0.00 0.00 176.91 180.23 2a24 h THR 54 N 0.61 1.19 -0.18 2.22 2.02 -0.90 0.24 112.91 118.12 2a24 h THR 54 Ca 0.11 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2a24 h THR 54 Cb 0.60 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2a24 h THR 54 CO 0.04 0.21 0.09 0.50 0.37 0.00 0.00 175.52 176.72 2a24 h LYS 55 N 0.65 0.25 -0.79 6.66 1.63 -1.15 0.33 116.57 124.16 2a24 h LYS 55 Ca 0.17 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 2a24 h LYS 55 Cb 0.10 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 2a24 h LYS 55 CO -0.02 0.27 0.36 0.77 -3.45 0.00 0.00 179.45 177.37 2a24 h SER 56 N 0.17 1.05 -0.14 4.20 0.02 -0.92 -0.34 113.55 117.58 2a24 h SER 56 Ca 0.06 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2a24 h SER 56 Cb 0.10 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2a24 h SER 56 CO -0.01 0.90 0.07 -0.74 -1.14 0.00 0.00 176.83 175.91 2a24 h HIS 57 N 1.13 0.21 -0.44 3.45 -0.00 -0.16 0.33 115.15 119.67 2a24 h HIS 57 Ca 0.27 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 2a24 h HIS 57 Cb 0.15 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 2a24 h HIS 57 CO 0.02 0.26 0.24 0.37 -0.00 0.00 0.00 177.93 178.81 2a24 h GLN 58 N 0.10 0.62 -0.28 5.26 4.15 -0.67 -2.54 115.11 121.75 2a24 h GLN 58 Ca 0.05 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 2a24 h GLN 58 Cb 0.13 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2a24 h GLN 58 CO -0.01 0.50 -0.11 -0.97 -1.93 0.00 0.00 178.83 176.32 2a24 h ASN 59 N 0.58 0.58 -0.71 -0.69 -1.24 -0.92 -3.14 115.58 110.03 2a24 h ASN 59 Ca 0.16 -0.39 0.09 0.00 0.71 0.00 0.00 56.30 56.87 2a24 h ASN 59 Cb 0.06 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 38.90 2a24 h ASN 59 CO -0.02 0.84 0.47 0.25 -1.29 0.00 0.00 177.43 177.68 2a24 h LEU 60 N 0.32 0.55 -1.44 0.34 5.85 -0.21 -1.57 115.31 119.14 2a24 h LEU 60 Ca 0.07 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.92 2a24 h LEU 60 Cb 0.61 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2a24 h LEU 60 CO 0.04 0.33 0.51 0.00 -0.34 0.00 0.00 178.44 178.97 2a24 n THR 62 N -4.50 2.15 0.00 0.00 -1.04 -0.68 -4.61 114.28 105.60 2a24 n THR 62 Ca 0.14 -2.14 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 2a24 n THR 62 Cb 0.41 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 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 -0.95 0.00 0.00 -2.82 4.76 -0.55 -5.03 118.16 113.58 2a24 n LYS 63 Ca 0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2a24 n LYS 63 Cb 0.80 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 33.08 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 3.27 1.80 2.90 0.72 0.00 0.06 -4.82 105.19 109.12 2a24 n GLY 64 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 1.45 0.08 1.61 0.74 -1.25 0.67 119.66 122.97 2a24 s GLN 65 Ca 0.00 -0.75 0.06 0.00 0.05 0.00 0.00 55.36 54.73 2a24 s GLN 65 Cb 0.00 -2.33 -0.03 0.00 1.10 0.00 0.00 33.01 31.75 2a24 s GLN 65 CO 0.00 -0.54 -0.17 0.54 -0.55 0.00 0.00 175.29 174.57 2a24 s VAL 66 N 1.54 1.35 -0.27 1.34 0.11 0.04 -4.99 120.40 119.51 2a24 s VAL 66 Ca -0.03 -1.40 -0.01 0.00 -2.93 0.00 0.00 61.98 57.61 2a24 s VAL 66 Cb -0.17 -1.27 0.04 0.00 -1.53 0.00 0.00 36.38 33.45 2a24 s VAL 66 CO -0.07 -0.16 -0.04 -0.69 -3.33 0.00 0.00 175.10 170.81 2a24 s VAL 67 N -1.24 2.82 0.10 2.04 1.01 -1.26 -0.47 120.40 123.40 2a24 s VAL 67 Ca 0.01 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.59 2a24 s VAL 67 Cb -0.10 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 2a24 s VAL 67 CO 0.03 0.03 0.46 -0.44 0.00 0.00 0.00 175.10 175.18 2a24 s SER 68 N 1.26 6.73 1.02 3.32 0.01 0.29 -5.01 113.70 121.32 2a24 s SER 68 Ca -0.04 0.92 -0.05 0.00 1.31 0.00 0.00 55.95 58.09 2a24 s SER 68 Cb -0.19 -2.23 0.07 0.00 0.21 0.00 0.00 66.02 63.89 2a24 s SER 68 CO -0.03 0.15 0.37 0.61 0.41 0.00 0.00 173.24 174.75 2a24 n GLY 69 N 0.93 -1.66 3.63 3.44 0.00 -1.26 -3.11 105.19 107.16 2a24 n GLY 69 Ca -0.07 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.81 3.87 0.48 1.61 -0.21 -1.26 -4.30 119.66 116.04 2a24 s GLN 70 Ca 0.22 1.58 0.04 0.00 0.02 0.00 0.00 55.36 57.21 2a24 s GLN 70 Cb -0.01 -3.98 -0.02 0.00 1.00 0.00 0.00 33.01 30.00 2a24 s GLN 70 CO 0.16 -1.20 0.12 1.52 -2.12 0.00 0.00 175.29 173.77 2a24 s TYR 71 N 4.85 2.06 -0.49 0.91 -0.85 -0.35 -4.87 117.35 118.61 2a24 s TYR 71 Ca 0.67 -0.82 -0.13 0.00 -0.52 0.00 0.00 57.07 56.27 2a24 s TYR 71 Cb -0.23 -1.77 0.11 0.00 0.38 0.00 0.00 41.96 40.46 2a24 s TYR 71 CO 0.27 0.11 0.40 1.03 -1.52 0.00 0.00 175.55 175.84 2a24 s ARG 72 N -3.94 2.75 0.07 -3.49 0.52 -1.26 -2.10 118.95 111.50 2a24 s ARG 72 Ca 0.23 -1.66 -0.29 0.00 -0.52 0.00 0.00 55.73 53.49 2a24 s ARG 72 Cb 0.03 -4.08 -0.05 0.00 0.52 0.00 0.00 34.95 31.36 2a24 s ARG 72 CO 0.13 -1.20 0.92 1.41 0.02 0.00 0.00 175.30 176.58 2a24 s MET 73 N 1.49 4.62 -0.03 3.54 -2.45 0.73 -4.41 119.30 122.80 2a24 s MET 73 Ca 0.04 1.36 -0.30 0.00 -1.25 0.00 0.00 55.69 55.54 2a24 s MET 73 Cb -0.27 -3.40 -0.04 0.00 1.25 0.00 0.00 34.83 32.37 2a24 s MET 73 CO 0.02 0.16 1.29 -1.17 1.05 0.00 0.00 175.02 176.37 2a24 s LEU 74 N 0.25 4.30 0.46 4.11 2.96 -1.25 -0.04 118.68 129.48 2a24 s LEU 74 Ca 0.46 1.96 0.04 0.00 -0.22 0.00 0.00 54.13 56.37 2a24 s LEU 74 Cb -0.22 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 42.92 2a24 s LEU 74 CO 0.28 -0.64 0.65 0.00 -1.32 0.00 0.00 176.35 175.32 2a24 s ALA 75 N 2.27 4.10 0.56 5.97 0.00 0.14 -4.93 121.76 129.87 2a24 s ALA 75 Ca 0.60 -1.39 0.25 0.00 0.00 0.00 0.00 51.96 51.41 2a24 s ALA 75 Cb -0.28 -1.90 1.62 0.00 0.00 0.00 0.00 23.12 22.55 2a24 s ALA 75 CO 0.24 -0.44 2.21 -0.22 0.00 0.00 0.00 175.76 177.55 2a24 h LYS 76 N 0.42 0.00 -0.75 0.00 3.64 -0.90 -0.79 116.57 118.19 2a24 h LYS 76 Ca -0.43 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.74 2a24 h LYS 76 Cb 1.28 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.97 2a24 h LYS 76 CO 0.51 0.00 0.26 -2.39 -2.27 0.00 0.00 179.45 175.57 2a24 n HIS 77 N -4.10 2.50 -1.25 1.91 1.44 -1.26 -4.88 115.22 109.58 2a24 n HIS 77 Ca -0.03 -1.18 -0.08 0.00 -2.01 0.00 0.00 57.72 54.42 2a24 n HIS 77 Cb 0.10 -0.69 -0.04 0.00 0.12 0.00 0.00 29.99 29.48 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 -0.08 1.00 3.93 -1.39 0.00 -0.30 -5.00 105.19 103.35 2a24 n GLY 78 Ca 0.41 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.69 1.68 -0.30 -0.02 0.00 -1.25 -4.77 107.32 99.97 2a24 s GLY 79 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.82 2a24 s GLY 79 CO 0.00 -0.58 0.02 -0.19 0.00 0.00 0.00 173.10 172.35 2a24 s TYR 80 N -3.06 3.04 -0.22 1.90 2.02 0.10 0.24 117.35 121.37 2a24 s TYR 80 Ca 0.57 -2.44 -0.27 0.00 -0.37 0.00 0.00 57.07 54.56 2a24 s TYR 80 Cb -0.11 -2.32 0.00 0.00 -0.40 0.00 0.00 41.96 39.14 2a24 s TYR 80 CO 0.44 -0.89 0.95 0.08 -1.57 0.00 0.00 175.55 174.55 2a24 s VAL 81 N 1.16 4.75 -0.62 0.71 1.01 0.94 0.37 120.40 128.73 2a24 s VAL 81 Ca 0.05 1.85 -0.25 0.00 0.00 0.00 0.00 61.98 63.63 2a24 s VAL 81 Cb -0.19 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.00 2a24 s VAL 81 CO -0.11 -0.12 1.05 0.26 0.00 0.00 0.00 175.10 176.19 2a24 s TRP 82 N 2.92 2.63 0.07 5.22 0.52 -0.83 -0.19 118.94 129.28 2a24 s TRP 82 Ca 0.41 -0.08 -0.02 0.00 0.02 0.00 0.00 56.10 56.42 2a24 s TRP 82 Cb -0.15 -4.31 -0.03 0.00 -1.15 0.00 0.00 33.47 27.83 2a24 s TRP 82 CO 0.08 -1.60 0.02 -0.48 0.02 0.00 0.00 176.95 174.98 2a24 s LEU 83 N 4.48 2.22 0.40 2.99 0.05 -0.89 -2.87 118.68 125.06 2a24 s LEU 83 Ca 0.31 -0.96 0.08 0.00 0.05 0.00 0.00 54.13 53.60 2a24 s LEU 83 Cb -0.12 0.36 -0.01 0.00 -2.05 0.00 0.00 46.19 44.37 2a24 s LEU 83 CO 0.17 -0.64 0.41 -1.61 -0.55 0.00 0.00 176.35 174.13 2a24 s GLU 84 N -3.93 2.66 -0.21 1.48 2.02 0.29 -1.21 118.70 119.80 2a24 s GLU 84 Ca 0.09 -1.40 -0.10 0.00 0.02 0.00 0.00 54.97 53.58 2a24 s GLU 84 Cb 0.07 -2.50 0.08 0.00 0.10 0.00 0.00 34.13 31.89 2a24 s GLU 84 CO -0.09 -0.15 0.49 0.99 0.02 0.00 0.00 175.26 176.53 2a24 s THR 85 N -2.40 -0.34 -0.45 3.63 2.01 -1.18 -1.16 115.64 115.74 2a24 s THR 85 Ca 0.48 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 2a24 s THR 85 Cb -0.05 -0.74 0.10 0.00 0.01 0.00 0.00 72.50 71.81 2a24 s THR 85 CO 0.29 0.04 0.32 -1.58 -0.69 0.00 0.00 174.62 173.00 2a24 s GLN 86 N 2.02 2.62 -0.40 4.92 0.74 0.25 -0.55 119.66 129.26 2a24 s GLN 86 Ca -0.07 -1.58 -0.29 0.00 0.05 0.00 0.00 55.36 53.48 2a24 s GLN 86 Cb -0.09 -3.91 0.01 0.00 1.10 0.00 0.00 33.01 30.12 2a24 s GLN 86 CO -0.15 -1.08 1.41 0.20 -0.55 0.00 0.00 175.29 175.12 2a24 s GLY 87 N 2.47 1.12 -0.43 2.59 0.00 0.38 -0.66 107.32 112.79 2a24 s GLY 87 Ca 0.04 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.66 2a24 s GLY 87 CO 0.02 2.76 0.17 -1.59 0.00 0.00 0.00 173.10 174.45 2a24 s THR 88 N 5.34 2.57 -0.15 0.90 2.01 0.70 -0.78 115.64 126.25 2a24 s THR 88 Ca 0.61 -2.75 -0.21 0.00 0.31 0.00 0.00 61.69 59.65 2a24 s THR 88 Cb -0.14 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2a24 s THR 88 CO 0.32 -0.70 0.63 -0.69 -0.69 0.00 0.00 174.62 173.48 2a24 s VAL 89 N 0.39 5.06 0.08 3.82 1.01 0.21 -0.98 120.40 129.99 2a24 s VAL 89 Ca 0.13 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 63.05 2a24 s VAL 89 Cb -0.22 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2a24 s VAL 89 CO -0.04 0.19 0.92 0.27 0.00 0.00 0.00 175.10 176.43 2a24 s ILE 90 N 1.37 4.61 -0.18 2.22 -4.36 -0.62 -4.76 121.20 119.47 2a24 s ILE 90 Ca 0.31 1.97 -0.17 0.00 -0.26 0.00 0.00 60.65 62.50 2a24 s ILE 90 Cb -0.16 -4.28 -0.04 0.00 1.25 0.00 0.00 42.46 39.24 2a24 s ILE 90 CO 0.12 0.30 0.45 -0.31 0.24 0.00 0.00 174.94 175.75 2a24 s TYR 91 N 0.14 3.40 0.03 1.37 1.51 -1.26 -1.38 117.35 121.16 2a24 s TYR 91 Ca 0.46 0.72 -0.30 0.00 -1.01 0.00 0.00 57.07 56.93 2a24 s TYR 91 Cb -0.22 -2.58 -0.07 0.00 -0.11 0.00 0.00 41.96 38.99 2a24 s TYR 91 CO 0.28 -0.00 1.48 1.21 -1.11 0.00 0.00 175.55 177.41 2a24 s ASN 92 N 0.98 6.77 0.09 2.29 3.84 0.28 -4.89 114.94 124.31 2a24 s ASN 92 Ca 0.22 2.25 0.22 0.00 0.21 0.00 0.00 52.86 55.75 2a24 s ASN 92 Cb -0.15 -2.56 0.87 0.00 -0.55 0.00 0.00 41.25 38.86 2a24 s ASN 92 CO 0.09 -0.77 1.67 -2.65 -2.79 0.00 0.00 177.10 172.65 2a24 n PRO 93 N 5.34 0.09 -0.13 0.43 -0.02 -1.26 0.05 135.00 139.50 2a24 n PRO 93 Ca 0.14 0.23 -0.24 0.00 -2.02 0.00 0.00 63.50 61.61 2a24 n PRO 93 Cb 0.42 -1.64 -0.11 0.00 -0.02 0.00 0.00 33.50 32.16 2a24 n PRO 93 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2a24 n ARG 94 N -1.79 0.62 0.09 -0.52 1.74 -1.26 -4.50 116.66 111.03 2a24 n ARG 94 Ca 0.04 0.23 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 2a24 n ARG 94 Cb 0.26 -1.52 0.07 0.00 -1.02 0.00 0.00 32.46 30.25 2a24 n ARG 94 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 2a24 h ASN 95 N -0.54 0.00 -3.58 0.55 -1.24 -1.98 -3.48 115.58 105.32 2a24 h ASN 95 Ca -0.63 -0.11 -0.37 0.00 0.71 0.00 0.00 56.30 55.89 2a24 h ASN 95 Cb 1.74 0.00 0.03 0.00 0.73 0.00 0.00 38.32 40.82 2a24 h ASN 95 CO -0.26 0.05 -0.53 0.18 -1.29 0.00 0.00 177.43 175.58 2a24 n LEU 96 N -2.42 -2.32 -4.06 0.34 7.99 0.11 -5.00 117.00 111.63 2a24 n LEU 96 Ca 0.01 -0.17 -0.10 0.00 -0.01 0.00 0.00 56.01 55.74 2a24 n LEU 96 Cb 0.50 -2.75 -0.11 0.00 -0.11 0.00 0.00 43.42 40.95 2a24 n LEU 96 CO 0.38 0.06 -0.38 -1.10 -1.51 0.00 0.00 177.39 174.84 2a24 s GLN 97 N -5.35 0.53 0.35 3.23 -1.52 -1.22 -4.88 119.66 110.80 2a24 s GLN 97 Ca 0.17 -0.89 -0.28 0.00 -1.95 0.00 0.00 55.36 52.40 2a24 s GLN 97 Cb -0.08 -0.07 -0.11 0.00 -0.22 0.00 0.00 33.01 32.54 2a24 s GLN 97 CO 0.21 -0.02 1.39 -1.25 -0.25 0.00 0.00 175.29 175.37 2a24 s PRO 98 N -2.34 4.25 0.00 2.91 0.04 -1.26 -0.55 135.00 138.05 2a24 s PRO 98 Ca -0.05 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2a24 s PRO 98 Cb -0.04 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2a24 s PRO 98 CO -0.03 -0.34 0.00 0.94 0.04 0.00 0.00 177.00 177.61 2a24 n GLN 99 N 0.72 0.00 -2.88 4.56 0.00 -0.48 -4.85 117.38 114.44 2a24 n GLN 99 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.58 2a24 n GLN 99 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.60 2a24 n GLN 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2a24 s ILE 101 N 3.37 4.25 -0.86 0.00 1.01 0.99 -1.58 121.20 128.37 2a24 s ILE 101 Ca 0.34 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 2a24 s ILE 101 Cb -0.12 -4.82 0.07 0.00 0.01 0.00 0.00 42.46 37.60 2a24 s ILE 101 CO 0.20 -1.63 1.25 -0.04 0.00 0.00 0.00 174.94 174.72 2a24 s MET 102 N 4.16 3.40 -0.46 2.79 -1.94 -0.15 -0.80 119.30 126.30 2a24 s MET 102 Ca 0.31 -0.98 -0.24 0.00 -1.71 0.00 0.00 55.69 53.07 2a24 s MET 102 Cb -0.09 -4.76 0.03 0.00 2.01 0.00 0.00 34.83 32.01 2a24 s MET 102 CO 0.02 -2.03 0.86 0.00 -0.01 0.00 0.00 175.02 173.87 2a24 s VAL 104 N 3.56 3.99 -0.16 0.00 1.01 0.16 -3.12 120.40 125.83 2a24 s VAL 104 Ca 0.33 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 2a24 s VAL 104 Cb -0.11 -4.93 -0.05 0.00 0.00 0.00 0.00 36.38 31.29 2a24 s VAL 104 CO 0.24 -1.80 0.30 0.20 0.00 0.00 0.00 175.10 174.04 2a24 s ASN 105 N 4.20 6.44 -0.02 3.32 0.01 -1.07 -0.58 114.94 127.23 2a24 s ASN 105 Ca 0.37 0.51 0.00 0.00 -0.71 0.00 0.00 52.86 53.04 2a24 s ASN 105 Cb -0.06 -2.19 0.03 0.00 0.41 0.00 0.00 41.25 39.44 2a24 s ASN 105 CO 0.02 0.09 0.01 -0.72 -1.51 0.00 0.00 177.10 174.99 2a24 s TYR 106 N 0.50 0.19 -0.14 2.20 -0.85 -0.31 -1.26 117.35 117.68 2a24 s TYR 106 Ca 0.17 0.05 -0.15 0.00 -0.52 0.00 0.00 57.07 56.62 2a24 s TYR 106 Cb -0.13 -0.33 -0.05 0.00 0.38 0.00 0.00 41.96 41.83 2a24 s TYR 106 CO 0.04 -0.11 0.36 0.54 -1.52 0.00 0.00 175.55 174.86 2a24 s VAL 107 N 1.02 5.26 0.00 -3.49 0.11 -0.78 -0.55 120.40 121.97 2a24 s VAL 107 Ca -0.09 0.69 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 2a24 s VAL 107 Cb -0.13 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 2a24 s VAL 107 CO -0.02 0.37 0.00 0.18 -3.33 0.00 0.00 175.10 172.30 2a24 n LEU 108 N 3.55 0.00 0.00 2.54 4.77 -1.22 -3.69 117.00 122.94 2a24 n LEU 108 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2a24 n LEU 108 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2a24 n LEU 108 CO 0.41 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.27 2a24 n SER 109 N -1.81 0.40 -1.94 -1.43 7.64 -1.14 -5.09 113.62 110.25 2a24 n SER 109 Ca 0.00 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.14 2a24 n SER 109 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 -0.59 0.81 -4.30 1.43 0.00 -1.26 -4.71 120.64 112.02 2a24 n GLU 110 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.82 2a24 n GLU 110 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.31 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 0.51 3.47 -2.00 3.84 1.01 -1.26 -1.96 121.20 124.80 2a24 s ILE 111 Ca 0.00 -0.49 0.28 0.00 0.00 0.00 0.00 60.65 60.44 2a24 s ILE 111 Cb 0.00 -2.53 0.79 0.00 0.01 0.00 0.00 42.46 40.73 2a24 s ILE 111 CO 0.00 0.47 2.00 -0.62 0.00 0.00 0.00 174.94 176.79