#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 2.26 0.04 -0.18 2.01 -1.26 -4.75 115.64 113.76 2a24 s THR 7 Ca 0.00 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.22 2a24 s THR 7 Cb 0.00 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 2a24 s THR 7 CO 0.00 -0.02 -0.13 0.72 -0.69 0.00 0.00 174.62 174.50 2a24 s PHE 8 N -1.41 1.16 -0.16 4.92 -0.12 -1.11 -4.92 117.98 116.34 2a24 s PHE 8 Ca 0.75 -0.35 -0.17 0.00 -0.05 0.00 0.00 56.93 57.11 2a24 s PHE 8 Cb -0.37 -0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 41.29 2a24 s PHE 8 CO 0.41 0.03 0.45 -1.17 -0.05 0.00 0.00 175.22 174.88 2a24 s LEU 9 N -1.13 4.21 -0.19 -1.99 1.98 -1.26 -2.03 118.68 118.27 2a24 s LEU 9 Ca 0.01 0.68 0.01 0.00 -2.89 0.00 0.00 54.13 51.93 2a24 s LEU 9 Cb -0.08 -2.62 0.02 0.00 0.66 0.00 0.00 46.19 44.17 2a24 s LEU 9 CO 0.01 -0.05 -0.18 -0.55 -1.89 0.00 0.00 176.35 173.69 2a24 s SER 10 N 0.82 3.28 -0.21 3.68 0.15 0.10 -1.71 113.70 119.82 2a24 s SER 10 Ca 0.23 -0.64 -0.07 0.00 0.70 0.00 0.00 55.95 56.17 2a24 s SER 10 Cb -0.15 -1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.62 2a24 s SER 10 CO 0.09 -0.01 0.07 -0.13 1.20 0.00 0.00 173.24 174.46 2a24 s ARG 11 N 1.31 3.85 0.10 5.44 0.52 0.14 -0.18 118.95 130.13 2a24 s ARG 11 Ca 0.05 -0.40 0.10 0.00 -0.52 0.00 0.00 55.73 54.97 2a24 s ARG 11 Cb -0.13 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2a24 s ARG 11 CO -0.12 0.09 -0.26 -1.01 0.02 0.00 0.00 175.30 174.02 2a24 s HIS 12 N 0.88 2.26 0.02 -0.53 3.76 -0.28 -1.08 115.29 120.32 2a24 s HIS 12 Ca 0.04 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.50 2a24 s HIS 12 Cb -0.14 -1.26 -0.01 0.00 1.11 0.00 0.00 32.58 32.28 2a24 s HIS 12 CO 0.03 0.27 0.10 -1.12 -0.85 0.00 0.00 174.74 173.17 2a24 s SER 13 N -1.80 0.12 1.15 1.40 0.01 -0.84 0.42 113.70 114.15 2a24 s SER 13 Ca 0.13 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2a24 s SER 13 Cb -0.10 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.34 2a24 s SER 13 CO 0.05 -0.44 0.00 0.23 0.41 0.00 0.00 173.24 173.48 2a24 n MET 14 N 1.08 0.00 -0.04 12.44 2.81 -1.26 -1.96 117.12 130.20 2a24 n MET 14 Ca -0.21 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 2a24 n MET 14 Cb 0.57 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.08 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 8.47 3.15 -1.67 7.83 5.75 -1.26 -4.73 116.55 134.08 2a24 n ASP 15 Ca 0.00 -2.01 -0.19 0.00 -0.01 0.00 0.00 54.79 52.58 2a24 n ASP 15 Cb 0.00 -0.54 -0.06 0.00 -1.03 0.00 0.00 41.12 39.49 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 0.58 -1.37 -1.62 0.11 0.00 -0.83 -4.58 117.12 109.41 2a24 n MET 16 Ca 0.00 1.08 -0.29 0.00 -0.00 0.00 0.00 57.70 58.49 2a24 n MET 16 Cb 0.50 -5.46 0.10 0.00 0.00 0.00 0.00 33.22 28.35 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 -4.03 1.85 -0.49 2.12 -2.85 -0.97 -3.66 119.74 111.71 2a24 s LYS 17 Ca 0.00 0.45 -0.25 0.00 -1.00 0.00 0.00 55.97 55.17 2a24 s LYS 17 Cb 0.00 -1.91 0.03 0.00 -2.06 0.00 0.00 37.83 33.89 2a24 s LYS 17 CO 0.00 -1.74 0.94 -0.06 0.10 0.00 0.00 175.35 174.59 2a24 s PHE 18 N -3.26 2.88 -0.04 1.78 0.40 -1.16 -1.99 117.98 116.59 2a24 s PHE 18 Ca 0.62 0.29 0.11 0.00 -0.60 0.00 0.00 56.93 57.34 2a24 s PHE 18 Cb -0.14 -4.02 -0.23 0.00 0.51 0.00 0.00 43.02 39.14 2a24 s PHE 18 CO 0.53 -1.18 0.69 1.15 0.70 0.00 0.00 175.22 177.10 2a24 h THR 19 N 6.07 0.89 -2.34 0.64 2.02 -1.43 -3.21 112.91 115.55 2a24 h THR 19 Ca -0.25 -2.72 -0.05 0.00 0.77 0.00 0.00 66.41 64.16 2a24 h THR 19 Cb 1.07 2.45 -0.24 0.00 -1.74 0.00 0.00 68.15 69.70 2a24 h THR 19 CO 1.05 0.54 -0.17 -0.47 0.37 0.00 0.00 175.52 176.84 2a24 s TYR 20 N -2.60 -0.85 0.12 3.16 6.14 -1.16 -4.98 117.35 117.17 2a24 s TYR 20 Ca -0.05 1.71 0.10 0.00 0.64 0.00 0.00 57.07 59.47 2a24 s TYR 20 Cb 0.08 0.45 -0.04 0.00 0.42 0.00 0.00 41.96 42.87 2a24 s TYR 20 CO 0.82 -0.45 -0.25 0.00 0.64 0.00 0.00 175.55 176.31 2a24 s ASP 22 N -1.98 6.70 0.00 0.00 -1.08 -0.69 -4.91 116.67 114.71 2a24 s ASP 22 Ca 0.15 1.84 0.25 0.00 -0.52 0.00 0.00 52.55 54.27 2a24 s ASP 22 Cb -0.10 -2.56 1.37 0.00 -1.46 0.00 0.00 42.92 40.18 2a24 s ASP 22 CO 0.06 -0.53 1.86 -0.90 0.52 0.00 0.00 175.17 176.19 2a24 n ASP 23 N -0.62 0.00 -0.59 -0.34 5.75 -1.26 -2.53 116.55 116.96 2a24 n ASP 23 Ca 0.07 -0.35 0.13 0.00 -0.01 0.00 0.00 54.79 54.63 2a24 n ASP 23 Cb 0.53 -0.18 0.36 0.00 -1.03 0.00 0.00 41.12 40.80 2a24 n ASP 23 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2a24 n ARG 24 N -1.18 1.73 0.15 0.11 1.74 -1.26 -4.06 116.66 113.89 2a24 n ARG 24 Ca 0.15 -1.19 0.03 0.00 -0.77 0.00 0.00 57.85 56.07 2a24 n ARG 24 Cb 0.16 -1.48 0.09 0.00 -1.02 0.00 0.00 32.46 30.21 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 2.89 0.89 0.00 0.55 2.10 -1.81 -3.23 117.51 118.91 2a24 h ILE 25 Ca 0.00 -2.11 -0.04 0.00 1.08 0.00 0.00 64.86 63.79 2a24 h ILE 25 Cb 0.66 2.33 -0.01 0.00 -1.09 0.00 0.00 36.82 38.72 2a24 h ILE 25 CO 0.00 0.48 -0.19 0.74 -1.08 0.00 0.00 178.15 178.10 2a24 h THR 26 N 0.00 0.97 -0.02 2.19 2.02 -1.70 0.30 112.91 116.68 2a24 h THR 26 Ca -0.00 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2a24 h THR 26 Cb 1.29 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2a24 h THR 26 CO 0.06 0.19 -0.08 -1.84 0.37 0.00 0.00 175.52 174.22 2a24 n GLU 27 N -4.07 1.54 0.00 6.66 0.28 -1.22 -3.11 120.64 120.72 2a24 n GLU 27 Ca -0.02 -0.98 -0.01 0.00 -0.16 0.00 0.00 57.16 55.99 2a24 n GLU 27 Cb 0.27 -1.48 -0.00 0.00 1.43 0.00 0.00 31.44 31.66 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 0.12 0.52 0.06 -1.84 4.77 -0.67 -4.82 117.00 115.14 2a24 n LEU 28 Ca 0.16 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.21 2a24 n LEU 28 Cb 0.39 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2a24 n LEU 28 CO 0.19 -0.54 -0.03 0.40 -1.33 0.00 0.00 177.39 176.08 2a24 h ILE 29 N -0.12 0.83 0.00 -0.08 2.04 -1.21 -3.48 117.51 115.48 2a24 h ILE 29 Ca 0.00 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.50 2a24 h ILE 29 Cb 0.12 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2a24 h ILE 29 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.23 2a24 n GLY 30 N 1.36 1.27 3.71 5.37 0.00 -1.05 -0.95 105.19 114.89 2a24 n GLY 30 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.30 3.64 0.22 1.61 2.02 -1.26 -4.85 117.35 116.43 2a24 s TYR 31 Ca 0.00 1.62 -0.30 0.00 -0.37 0.00 0.00 57.07 58.02 2a24 s TYR 31 Cb 0.00 -3.07 -0.09 0.00 -0.40 0.00 0.00 41.96 38.40 2a24 s TYR 31 CO 0.00 -0.01 1.32 -1.58 -1.57 0.00 0.00 175.55 173.71 2a24 s HIS 32 N 1.04 3.22 0.22 2.71 2.46 -1.26 -3.67 115.29 120.01 2a24 s HIS 32 Ca 0.49 1.24 -0.11 0.00 0.47 0.00 0.00 55.06 57.16 2a24 s HIS 32 Cb -0.20 -3.62 0.32 0.00 -0.13 0.00 0.00 32.58 28.94 2a24 s HIS 32 CO 0.26 -1.91 1.64 -1.35 -2.47 0.00 0.00 174.74 170.91 2a24 h PRO 33 N 5.04 0.07 0.00 2.88 0.11 -1.91 0.18 132.00 138.38 2a24 h PRO 33 Ca -0.45 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2a24 h PRO 33 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2a24 h PRO 33 CO 0.75 0.05 -0.32 0.93 -0.21 0.00 0.00 178.00 179.20 2a24 h GLU 34 N 0.07 0.00 0.00 1.05 4.39 -1.92 -2.57 114.58 115.61 2a24 h GLU 34 Ca 0.34 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.98 2a24 h GLU 34 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2a24 h GLU 34 CO -0.61 0.32 -0.31 0.93 -1.16 0.00 0.00 179.01 178.19 2a24 h GLU 35 N 0.00 0.00 0.00 2.33 4.39 -1.34 -2.37 114.58 117.59 2a24 h GLU 35 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2a24 h GLU 35 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2a24 h GLU 35 CO 0.04 0.31 -0.43 -0.07 -1.16 0.00 0.00 179.01 177.70 2a24 h LEU 36 N 0.00 0.00 -8.84 1.33 3.38 -1.15 -3.43 115.31 106.60 2a24 h LEU 36 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2a24 h LEU 36 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2a24 h LEU 36 CO 0.04 0.30 1.35 -0.76 0.09 0.00 0.00 178.44 179.47 2a24 s LEU 37 N -6.26 3.47 0.00 1.67 1.43 -0.89 -1.95 118.68 116.14 2a24 s LEU 37 Ca 0.04 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 2a24 s LEU 37 Cb 0.07 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.93 2a24 s LEU 37 CO 0.73 -1.90 0.00 0.61 0.23 0.00 0.00 176.35 176.02 2a24 n GLY 38 N 5.56 2.22 3.98 -3.19 0.00 -1.21 -5.02 105.19 107.52 2a24 n GLY 38 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.19 3.03 0.26 1.61 1.70 -0.82 -4.96 118.95 119.58 2a24 s ARG 39 Ca 0.00 -0.88 -0.12 0.00 -0.47 0.00 0.00 55.73 54.27 2a24 s ARG 39 Cb 0.00 -2.72 -0.08 0.00 -0.57 0.00 0.00 34.95 31.58 2a24 s ARG 39 CO 0.00 -0.12 0.62 -1.12 -1.08 0.00 0.00 175.30 173.61 2a24 s SER 40 N -4.22 6.69 0.19 -2.89 0.01 -1.26 -3.00 113.70 109.22 2a24 s SER 40 Ca 0.48 1.07 0.12 0.00 1.31 0.00 0.00 55.95 58.93 2a24 s SER 40 Cb -0.10 -2.29 -0.07 0.00 0.21 0.00 0.00 66.02 63.78 2a24 s SER 40 CO 0.34 -0.12 1.31 0.00 0.41 0.00 0.00 173.24 175.17 2a24 h ALA 41 N 2.46 0.55 0.00 1.44 0.00 -1.81 -3.24 119.26 118.66 2a24 h ALA 41 Ca -0.47 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.74 2a24 h ALA 41 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2a24 h ALA 41 CO 0.68 0.93 0.00 0.66 0.00 0.00 0.00 179.25 181.52 2a24 n TYR 42 N -3.24 0.56 0.11 0.00 4.01 -1.26 -1.36 117.16 115.97 2a24 n TYR 42 Ca -0.00 0.23 0.02 0.00 -0.16 0.00 0.00 57.90 57.99 2a24 n TYR 42 Cb 0.84 -0.88 0.38 0.00 -0.31 0.00 0.00 39.34 39.37 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 0.26 -0.12 -0.72 5.08 -1.98 -3.21 114.58 113.89 2a24 h GLU 43 Ca 0.00 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 2a24 h GLU 43 Cb 0.26 -0.03 -0.38 0.00 0.50 0.00 0.00 28.75 29.09 2a24 h GLU 43 CO 0.00 0.40 -1.03 1.97 -1.00 0.00 0.00 179.01 179.34 2a24 n PHE 44 N -4.27 0.36 -1.42 4.33 -1.74 -1.00 -4.97 117.46 108.74 2a24 n PHE 44 Ca -0.01 -0.98 -0.39 0.00 -0.56 0.00 0.00 57.45 55.52 2a24 n PHE 44 Cb 0.27 -0.18 -0.02 0.00 1.52 0.00 0.00 39.48 41.08 2a24 n PHE 44 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 2a24 n TYR 45 N 0.14 2.75 -0.75 2.97 4.01 -0.46 -4.10 117.16 121.71 2a24 n TYR 45 Ca 0.07 -2.83 0.09 0.00 -0.16 0.00 0.00 57.90 55.08 2a24 n TYR 45 Cb 1.04 -2.38 -0.04 0.00 -0.31 0.00 0.00 39.34 37.65 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 5.07 -2.00 -0.07 -0.72 8.25 -1.26 -3.73 115.22 120.76 2a24 n HIS 46 Ca 0.62 1.08 -0.20 0.00 -0.26 0.00 0.00 57.72 58.96 2a24 n HIS 46 Cb 0.31 -1.82 -0.13 0.00 1.12 0.00 0.00 29.99 29.47 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 -3.10 1.18 0.00 -1.41 0.00 -1.26 -4.56 120.51 111.36 2a24 n ALA 47 Ca -0.04 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2a24 n ALA 47 Cb 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -3.36 0.00 -1.26 0.00 -0.00 -1.26 -4.67 117.00 106.44 2a24 n LEU 48 Ca -0.39 -0.08 -0.01 0.00 -0.00 0.00 0.00 56.01 55.53 2a24 n LEU 48 Cb 1.02 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 44.59 2a24 n LEU 48 CO 0.34 0.00 0.63 0.47 -0.00 0.00 0.00 177.39 178.83 2a24 n ASP 49 N -1.11 3.23 0.04 1.45 9.92 -1.26 -4.14 116.55 124.68 2a24 n ASP 49 Ca 0.00 -2.52 -0.12 0.00 -0.53 0.00 0.00 54.79 51.63 2a24 n ASP 49 Cb 0.00 -0.61 -0.00 0.00 -0.64 0.00 0.00 41.12 39.87 2a24 n ASP 49 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2a24 h SER 50 N 1.44 0.56 -0.08 -2.24 0.02 -1.80 -3.11 113.55 108.33 2a24 h SER 50 Ca 0.08 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2a24 h SER 50 Cb 1.38 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2a24 h SER 50 CO 0.31 1.15 0.03 -0.33 -1.14 0.00 0.00 176.83 176.85 2a24 h GLU 51 N 0.30 0.13 -0.71 3.45 4.39 -1.90 -1.35 114.58 118.89 2a24 h GLU 51 Ca -0.04 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.74 2a24 h GLU 51 Cb 1.38 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.93 2a24 h GLU 51 CO 0.14 0.24 0.33 -0.97 -1.16 0.00 0.00 179.01 177.59 2a24 h ASN 52 N -0.02 0.40 -0.22 1.42 -0.73 -1.85 0.23 115.58 114.82 2a24 h ASN 52 Ca 0.03 0.07 -0.05 0.00 1.87 0.00 0.00 56.30 58.23 2a24 h ASN 52 Cb 0.16 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 2a24 h ASN 52 CO -0.00 0.22 -0.04 -0.03 -0.37 0.00 0.00 177.43 177.20 2a24 h MET 53 N 0.55 0.41 -0.39 6.67 4.05 -1.44 -0.81 114.93 123.97 2a24 h MET 53 Ca 0.36 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.61 2a24 h MET 53 Cb 0.43 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 2a24 h MET 53 CO -0.30 0.64 0.17 1.15 0.23 0.00 0.00 176.91 178.80 2a24 h THR 54 N 0.14 1.18 -0.50 -0.77 2.02 -0.63 0.23 112.91 114.59 2a24 h THR 54 Ca 0.06 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 2a24 h THR 54 Cb 0.49 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2a24 h THR 54 CO 0.02 0.20 0.18 0.11 0.37 0.00 0.00 175.52 176.41 2a24 h LYS 55 N 0.49 0.75 -0.36 6.66 6.56 -0.55 -0.60 116.57 129.52 2a24 h LYS 55 Ca 0.13 -0.14 -0.09 0.00 -1.06 0.00 0.00 60.65 59.48 2a24 h LYS 55 Cb 0.16 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 2a24 h LYS 55 CO -0.01 0.68 -0.16 0.77 -2.06 0.00 0.00 179.45 178.67 2a24 h SER 56 N 0.66 0.65 -0.61 0.86 0.02 -0.94 -1.69 113.55 112.52 2a24 h SER 56 Ca 0.16 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2a24 h SER 56 Cb 0.22 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2a24 h SER 56 CO -0.01 0.83 0.27 -0.74 -1.14 0.00 0.00 176.83 176.04 2a24 h HIS 57 N 0.59 0.89 0.10 3.45 -0.00 -0.06 0.44 115.15 120.56 2a24 h HIS 57 Ca 0.10 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2a24 h HIS 57 Cb 0.61 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2a24 h HIS 57 CO 0.03 0.69 -0.05 0.37 -0.00 0.00 0.00 177.93 178.97 2a24 h GLN 58 N 0.83 -0.12 -0.59 5.26 4.15 -0.82 -2.24 115.11 121.58 2a24 h GLN 58 Ca 0.21 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.59 2a24 h GLN 58 Cb 0.15 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 2a24 h GLN 58 CO -0.02 -0.00 0.19 -0.97 -1.93 0.00 0.00 178.83 176.09 2a24 h ASN 59 N -0.22 0.82 -1.00 -0.69 -1.24 -1.12 -2.60 115.58 109.54 2a24 h ASN 59 Ca -0.01 -0.13 0.04 0.00 0.71 0.00 0.00 56.30 56.90 2a24 h ASN 59 Cb 0.18 -0.21 -0.06 0.00 0.73 0.00 0.00 38.32 38.96 2a24 h ASN 59 CO 0.02 0.77 0.65 0.25 -1.29 0.00 0.00 177.43 177.84 2a24 h LEU 60 N 0.86 1.09 -0.73 0.34 5.85 0.12 0.82 115.31 123.66 2a24 h LEU 60 Ca 0.20 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 2a24 h LEU 60 Cb 0.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2a24 h LEU 60 CO -0.01 0.74 -0.62 0.00 -0.34 0.00 0.00 178.44 178.21 2a24 h THR 62 N 0.00 1.74 0.16 0.00 2.02 -1.08 -3.38 112.91 112.37 2a24 h THR 62 Ca -0.01 -2.26 -0.34 0.00 0.77 0.00 0.00 66.41 64.58 2a24 h THR 62 Cb 1.12 3.28 0.00 0.00 -1.74 0.00 0.00 68.15 70.81 2a24 h THR 62 CO 0.08 0.59 -1.68 0.11 0.37 0.00 0.00 175.52 174.99 2a24 h LYS 63 N -0.91 0.35 0.00 6.66 1.57 -0.96 -3.49 116.57 119.79 2a24 h LYS 63 Ca -0.01 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2a24 h LYS 63 Cb 1.00 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2a24 h LYS 63 CO 0.01 1.25 0.00 0.41 -0.57 0.00 0.00 179.45 180.55 2a24 n GLY 64 N 1.79 1.56 3.05 3.86 0.00 0.54 -5.04 105.19 110.96 2a24 n GLY 64 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.03 0.33 -0.16 1.61 0.74 -1.25 0.01 119.66 120.91 2a24 s GLN 65 Ca 0.00 -0.20 -0.20 0.00 0.05 0.00 0.00 55.36 55.01 2a24 s GLN 65 Cb 0.00 0.14 0.05 0.00 1.10 0.00 0.00 33.01 34.30 2a24 s GLN 65 CO 0.00 -0.07 0.53 0.54 -0.55 0.00 0.00 175.29 175.74 2a24 s VAL 66 N -0.83 0.01 -0.38 1.34 0.11 -0.35 -4.78 120.40 115.52 2a24 s VAL 66 Ca -0.09 -0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 58.77 2a24 s VAL 66 Cb -0.05 -0.77 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 2a24 s VAL 66 CO 0.01 -0.03 0.26 -0.69 -3.33 0.00 0.00 175.10 171.32 2a24 s VAL 67 N -0.07 5.16 -0.20 2.04 1.01 -1.26 -1.19 120.40 125.89 2a24 s VAL 67 Ca -0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 2a24 s VAL 67 Cb -0.03 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2a24 s VAL 67 CO 0.02 -0.18 0.12 -0.44 0.00 0.00 0.00 175.10 174.62 2a24 s SER 68 N 1.68 6.09 1.03 3.32 0.01 0.54 -5.02 113.70 121.34 2a24 s SER 68 Ca 0.05 0.20 -0.13 0.00 1.31 0.00 0.00 55.95 57.38 2a24 s SER 68 Cb -0.18 -2.06 0.18 0.00 0.21 0.00 0.00 66.02 64.16 2a24 s SER 68 CO 0.10 0.18 1.00 0.61 0.41 0.00 0.00 173.24 175.53 2a24 n GLY 69 N 3.51 -1.61 3.77 3.44 0.00 -1.26 -1.36 105.19 111.67 2a24 n GLY 69 Ca -0.16 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 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 -5.18 4.22 0.28 1.61 -0.21 -1.25 -4.32 119.66 114.81 2a24 s GLN 70 Ca 0.57 2.40 0.01 0.00 0.02 0.00 0.00 55.36 58.37 2a24 s GLN 70 Cb -0.02 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.94 2a24 s GLN 70 CO 0.41 -0.38 0.28 1.52 -2.12 0.00 0.00 175.29 174.99 2a24 s TYR 71 N -1.00 1.30 -0.88 0.91 -0.85 -0.85 -4.90 117.35 111.08 2a24 s TYR 71 Ca 0.52 -1.42 -0.20 0.00 -0.52 0.00 0.00 57.07 55.46 2a24 s TYR 71 Cb -0.43 -0.47 0.12 0.00 0.38 0.00 0.00 41.96 41.55 2a24 s TYR 71 CO 0.57 -0.85 1.10 1.03 -1.52 0.00 0.00 175.55 175.88 2a24 s ARG 72 N -3.68 3.50 -0.00 -3.49 0.52 -1.26 -2.95 118.95 111.58 2a24 s ARG 72 Ca 0.37 -1.57 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 2a24 s ARG 72 Cb 0.03 -4.80 -0.04 0.00 0.52 0.00 0.00 34.95 30.67 2a24 s ARG 72 CO 0.19 -1.79 1.12 1.41 0.02 0.00 0.00 175.30 176.25 2a24 s MET 73 N 3.01 4.45 -0.38 3.54 1.75 -0.10 -4.42 119.30 127.14 2a24 s MET 73 Ca 0.31 1.60 -0.29 0.00 -1.25 0.00 0.00 55.69 56.07 2a24 s MET 73 Cb -0.07 -3.45 0.00 0.00 2.84 0.00 0.00 34.83 34.15 2a24 s MET 73 CO -0.06 -0.25 1.55 -0.51 -0.65 0.00 0.00 175.02 175.10 2a24 s LEU 74 N 1.43 3.55 0.82 4.11 1.43 -1.26 -0.16 118.68 128.61 2a24 s LEU 74 Ca 0.55 0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 2a24 s LEU 74 Cb -0.25 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.55 2a24 s LEU 74 CO 0.26 -1.53 1.18 0.00 0.23 0.00 0.00 176.35 176.48 2a24 s ALA 75 N 5.95 2.68 0.00 4.21 0.00 0.31 -4.91 121.76 129.99 2a24 s ALA 75 Ca 0.68 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 2a24 s ALA 75 Cb -0.17 -2.84 -0.18 0.00 0.00 0.00 0.00 23.12 19.94 2a24 s ALA 75 CO 0.33 -1.77 2.79 1.17 0.00 0.00 0.00 175.76 178.28 2a24 n LYS 76 N -3.33 1.48 -0.07 0.00 4.81 -0.13 -2.26 118.16 118.66 2a24 n LYS 76 Ca 0.10 -0.66 0.00 0.00 -0.87 0.00 0.00 58.31 56.87 2a24 n LYS 76 Cb 0.61 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.90 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 2.41 0.00 -1.05 5.64 1.44 -1.26 -4.97 115.22 117.43 2a24 n HIS 77 Ca 0.29 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.98 2a24 n HIS 77 Cb 0.69 0.16 -0.01 0.00 0.12 0.00 0.00 29.99 30.95 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 0.50 3.84 -1.39 0.00 -0.96 -5.01 105.19 102.18 2a24 n GLY 78 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.29 2.03 -0.60 -0.02 0.00 -1.26 -4.80 107.32 100.39 2a24 s GLY 79 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.81 2a24 s GLY 79 CO 0.00 0.43 0.45 -0.19 0.00 0.00 0.00 173.10 173.79 2a24 s TYR 80 N -2.67 3.50 -0.48 1.90 2.02 0.46 -0.53 117.35 121.56 2a24 s TYR 80 Ca 0.58 -2.30 -0.29 0.00 -0.37 0.00 0.00 57.07 54.69 2a24 s TYR 80 Cb -0.10 -3.41 0.03 0.00 -0.40 0.00 0.00 41.96 38.08 2a24 s TYR 80 CO 0.33 -0.93 1.15 0.08 -1.57 0.00 0.00 175.55 174.61 2a24 s VAL 81 N 0.52 4.19 -1.01 0.71 1.01 0.77 0.30 120.40 126.89 2a24 s VAL 81 Ca 0.13 1.21 -0.23 0.00 0.00 0.00 0.00 61.98 63.09 2a24 s VAL 81 Cb -0.20 -4.59 0.04 0.00 0.00 0.00 0.00 36.38 31.62 2a24 s VAL 81 CO -0.04 -1.01 1.53 0.26 0.00 0.00 0.00 175.10 175.84 2a24 s TRP 82 N 4.51 2.43 0.19 5.22 0.52 -1.17 -0.93 118.94 129.70 2a24 s TRP 82 Ca 0.49 -0.63 0.10 0.00 0.02 0.00 0.00 56.10 56.07 2a24 s TRP 82 Cb -0.07 -4.60 -0.04 0.00 -1.15 0.00 0.00 33.47 27.60 2a24 s TRP 82 CO 0.32 -1.91 -0.20 -0.51 0.02 0.00 0.00 176.95 174.67 2a24 s LEU 83 N 5.73 2.46 0.64 2.99 1.02 -1.15 -2.72 118.68 127.64 2a24 s LEU 83 Ca 0.50 -0.89 0.02 0.00 0.02 0.00 0.00 54.13 53.77 2a24 s LEU 83 Cb -0.01 -0.93 0.09 0.00 0.02 0.00 0.00 46.19 45.36 2a24 s LEU 83 CO -0.08 0.01 0.88 -1.61 0.02 0.00 0.00 176.35 175.56 2a24 s GLU 84 N -2.88 2.07 -0.21 1.70 2.02 0.59 -2.01 118.70 119.97 2a24 s GLU 84 Ca 0.19 -1.09 -0.09 0.00 0.02 0.00 0.00 54.97 54.00 2a24 s GLU 84 Cb -0.06 -2.44 0.09 0.00 0.10 0.00 0.00 34.13 31.82 2a24 s GLU 84 CO 0.08 -1.10 0.47 0.99 0.02 0.00 0.00 175.26 175.73 2a24 s THR 85 N -2.93 -0.50 -0.43 3.63 2.01 -0.46 -1.78 115.64 115.18 2a24 s THR 85 Ca 0.62 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.61 2a24 s THR 85 Cb -0.07 -0.73 0.06 0.00 0.01 0.00 0.00 72.50 71.77 2a24 s THR 85 CO 0.41 0.05 0.31 -1.58 -0.69 0.00 0.00 174.62 173.12 2a24 s GLN 86 N 2.29 2.82 -0.09 4.92 2.00 0.72 -0.34 119.66 131.98 2a24 s GLN 86 Ca -0.05 -1.31 -0.14 0.00 -2.00 0.00 0.00 55.36 51.86 2a24 s GLN 86 Cb -0.11 -3.93 -0.05 0.00 0.80 0.00 0.00 33.01 29.73 2a24 s GLN 86 CO -0.14 -0.92 0.35 0.20 -0.50 0.00 0.00 175.29 174.28 2a24 s GLY 87 N 2.16 2.34 -0.22 2.59 0.00 -0.34 -0.59 107.32 113.26 2a24 s GLY 87 Ca 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 44.72 44.38 2a24 s GLY 87 CO 0.05 0.31 0.38 -1.59 0.00 0.00 0.00 173.10 172.25 2a24 s THR 88 N -0.22 -0.60 -0.16 0.90 2.01 0.69 -1.22 115.64 117.04 2a24 s THR 88 Ca 0.21 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.99 2a24 s THR 88 Cb -0.15 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 2a24 s THR 88 CO 0.09 -0.05 0.77 -0.69 -0.69 0.00 0.00 174.62 174.04 2a24 s VAL 89 N 2.55 4.94 0.05 3.82 1.01 0.10 -0.19 120.40 132.68 2a24 s VAL 89 Ca 0.07 1.50 -0.09 0.00 0.00 0.00 0.00 61.98 63.47 2a24 s VAL 89 Cb -0.14 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2a24 s VAL 89 CO -0.14 0.08 0.35 -0.51 0.00 0.00 0.00 175.10 174.88 2a24 s ILE 90 N 1.87 5.17 0.01 2.22 2.07 -0.10 -4.91 121.20 127.53 2a24 s ILE 90 Ca 0.36 0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.97 2a24 s ILE 90 Cb -0.17 -3.62 -0.04 0.00 0.13 0.00 0.00 42.46 38.77 2a24 s ILE 90 CO 0.13 0.33 0.02 -0.31 -1.91 0.00 0.00 174.94 173.19 2a24 s TYR 91 N -1.35 3.11 -0.32 3.50 1.51 -1.26 -0.08 117.35 122.46 2a24 s TYR 91 Ca 0.31 0.10 -0.19 0.00 -1.01 0.00 0.00 57.07 56.28 2a24 s TYR 91 Cb -0.14 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 2a24 s TYR 91 CO 0.17 0.48 0.55 1.21 -1.11 0.00 0.00 175.55 176.85 2a24 s ASN 92 N -1.65 6.39 0.05 2.29 3.84 0.80 -4.78 114.94 121.88 2a24 s ASN 92 Ca 0.21 0.22 0.09 0.00 0.21 0.00 0.00 52.86 53.59 2a24 s ASN 92 Cb -0.12 -2.29 0.42 0.00 -0.55 0.00 0.00 41.25 38.72 2a24 s ASN 92 CO 0.12 -0.45 1.29 -0.81 -2.79 0.00 0.00 177.10 174.46 2a24 n PRO 93 N 5.77 0.03 0.04 0.43 -0.04 -1.26 0.13 135.00 140.10 2a24 n PRO 93 Ca -0.03 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 63.95 2a24 n PRO 93 Cb 0.49 -1.58 -0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2a24 n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2a24 n ARG 94 N -1.64 0.39 0.00 0.54 1.74 -1.26 -4.36 116.66 112.07 2a24 n ARG 94 Ca 0.01 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2a24 n ARG 94 Cb 0.08 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 2a24 n ARG 94 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2a24 n ASN 95 N -2.13 1.96 -3.34 0.55 4.13 -0.66 -5.02 115.26 110.75 2a24 n ASN 95 Ca 0.01 -0.24 -0.22 0.00 1.68 0.00 0.00 54.58 55.80 2a24 n ASN 95 Cb 0.47 0.88 0.07 0.00 -1.54 0.00 0.00 39.78 39.66 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 -1.07 -3.23 -3.89 3.41 4.77 0.12 -5.00 117.00 112.11 2a24 n LEU 96 Ca 0.00 -0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 55.41 2a24 n LEU 96 Cb 0.00 -2.89 -0.06 0.00 -2.33 0.00 0.00 43.42 38.15 2a24 n LEU 96 CO 0.00 0.56 0.09 0.00 -1.33 0.00 0.00 177.39 176.71 2a24 s GLN 97 N -6.15 1.25 0.24 3.23 -2.07 -1.22 -4.97 119.66 109.97 2a24 s GLN 97 Ca 0.52 -1.08 -0.31 0.00 -1.82 0.00 0.00 55.36 52.67 2a24 s GLN 97 Cb -0.23 0.43 -0.11 0.00 -1.09 0.00 0.00 33.01 32.01 2a24 s GLN 97 CO 0.64 -0.49 1.65 -2.14 -1.32 0.00 0.00 175.29 173.63 2a24 s PRO 98 N -3.94 4.13 -0.14 9.60 0.02 -1.26 -0.14 135.00 143.27 2a24 s PRO 98 Ca 0.15 2.57 -0.16 0.00 0.02 0.00 0.00 61.00 63.58 2a24 s PRO 98 Cb 0.02 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 2a24 s PRO 98 CO -0.00 -0.68 -0.30 0.94 -0.33 0.00 0.00 177.00 176.62 2a24 n GLN 99 N 3.20 0.46 -4.01 5.54 -0.06 0.89 -4.76 117.38 118.63 2a24 n GLN 99 Ca 0.12 0.18 -0.13 0.00 -2.00 0.00 0.00 57.00 55.18 2a24 n GLN 99 Cb 0.36 -1.31 -0.13 0.00 -4.06 0.00 0.00 30.24 25.11 2a24 n GLN 99 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2a24 s ILE 101 N -0.60 5.08 -0.21 0.00 1.01 0.17 -0.92 121.20 125.73 2a24 s ILE 101 Ca -0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 59.92 2a24 s ILE 101 Cb -0.05 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.36 2a24 s ILE 101 CO -0.00 -0.47 1.02 -0.04 0.00 0.00 0.00 174.94 175.46 2a24 s MET 102 N 2.16 4.29 -0.30 2.79 -1.94 0.73 -1.12 119.30 125.90 2a24 s MET 102 Ca 0.12 1.34 0.03 0.00 -1.71 0.00 0.00 55.69 55.47 2a24 s MET 102 Cb -0.18 -3.62 0.08 0.00 2.01 0.00 0.00 34.83 33.13 2a24 s MET 102 CO 0.13 -0.56 -0.00 0.00 -0.01 0.00 0.00 175.02 174.58 2a24 s VAL 104 N 1.06 4.40 -0.74 0.00 1.01 0.24 -0.72 120.40 125.65 2a24 s VAL 104 Ca 0.03 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 2a24 s VAL 104 Cb -0.19 -4.64 0.05 0.00 0.00 0.00 0.00 36.38 31.61 2a24 s VAL 104 CO -0.08 -1.37 1.16 0.20 0.00 0.00 0.00 175.10 175.00 2a24 s ASN 105 N 3.57 6.22 0.06 3.32 -0.87 -0.86 -0.20 114.94 126.18 2a24 s ASN 105 Ca 0.21 -0.85 -0.30 0.00 -1.57 0.00 0.00 52.86 50.35 2a24 s ASN 105 Cb -0.17 -2.49 -0.05 0.00 -0.02 0.00 0.00 41.25 38.52 2a24 s ASN 105 CO 0.11 -1.61 1.00 -0.31 -2.57 0.00 0.00 177.10 173.72 2a24 s TYR 106 N 4.82 3.69 -0.01 2.20 2.02 -0.73 -2.75 117.35 126.58 2a24 s TYR 106 Ca 0.31 1.69 -0.22 0.00 -0.37 0.00 0.00 57.07 58.48 2a24 s TYR 106 Cb -0.11 -3.14 -0.05 0.00 -0.40 0.00 0.00 41.96 38.26 2a24 s TYR 106 CO 0.09 -0.10 0.65 0.08 -1.57 0.00 0.00 175.55 174.70 2a24 s VAL 107 N 0.55 4.91 0.00 0.71 1.01 -1.26 -0.30 120.40 126.01 2a24 s VAL 107 Ca 0.51 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2a24 s VAL 107 Cb -0.23 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2a24 s VAL 107 CO 0.29 0.37 0.00 0.18 0.00 0.00 0.00 175.10 175.94 2a24 n LEU 108 N 2.98 0.01 -4.76 3.92 4.77 -1.26 -4.84 117.00 117.82 2a24 n LEU 108 Ca -0.05 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.69 2a24 n LEU 108 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 2a24 n LEU 108 CO 0.45 -0.45 -0.14 -0.44 -1.33 0.00 0.00 177.39 175.49 2a24 s SER 109 N -4.93 4.51 0.97 -1.43 0.01 -1.10 -5.11 113.70 106.62 2a24 s SER 109 Ca 0.00 -1.03 -0.06 0.00 1.31 0.00 0.00 55.95 56.17 2a24 s SER 109 Cb 0.00 -0.50 0.09 0.00 0.21 0.00 0.00 66.02 65.82 2a24 s SER 109 CO 0.00 -0.56 0.53 -1.84 0.41 0.00 0.00 173.24 171.79 2a24 n GLU 110 N -1.28 -0.47 -3.13 12.44 0.00 -1.26 -4.46 120.64 122.47 2a24 n GLU 110 Ca -0.00 -0.86 -0.40 0.00 0.00 0.00 0.00 57.16 55.90 2a24 n GLU 110 Cb 0.64 -0.54 -0.06 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 -2.11 5.04 -2.09 3.84 1.01 -1.26 -3.06 121.20 122.57 2a24 s ILE 111 Ca 0.30 1.18 0.31 0.00 0.00 0.00 0.00 60.65 62.45 2a24 s ILE 111 Cb -0.01 -3.94 0.85 0.00 0.01 0.00 0.00 42.46 39.37 2a24 s ILE 111 CO 0.21 0.15 2.15 1.21 0.00 0.00 0.00 174.94 178.66