#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 4.52 0.01 3.15 2.01 -1.26 -3.38 115.64 120.68 2a24 s THR 7 Ca 0.00 1.30 -0.07 0.00 0.31 0.00 0.00 61.69 63.23 2a24 s THR 7 Cb 0.00 -3.76 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 2a24 s THR 7 CO 0.00 -0.02 0.12 0.72 -0.69 0.00 0.00 174.62 174.75 2a24 s PHE 8 N -1.80 0.06 -0.20 4.92 -0.71 -0.93 -4.97 117.98 114.34 2a24 s PHE 8 Ca 0.51 -0.18 -0.18 0.00 -1.04 0.00 0.00 56.93 56.04 2a24 s PHE 8 Cb -0.14 -0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.58 2a24 s PHE 8 CO 0.19 -0.28 0.48 -1.17 -1.34 0.00 0.00 175.22 173.09 2a24 s LEU 9 N -1.42 4.14 -0.28 -1.99 1.98 -1.26 -2.29 118.68 117.55 2a24 s LEU 9 Ca -0.15 0.61 0.02 0.00 -2.89 0.00 0.00 54.13 51.73 2a24 s LEU 9 Cb -0.08 -2.64 0.07 0.00 0.66 0.00 0.00 46.19 44.20 2a24 s LEU 9 CO 0.01 -0.15 -0.06 -0.55 -1.89 0.00 0.00 176.35 173.71 2a24 s SER 10 N 1.15 4.60 -0.29 3.68 0.15 -0.46 -2.18 113.70 120.36 2a24 s SER 10 Ca 0.22 -1.50 -0.21 0.00 0.70 0.00 0.00 55.95 55.17 2a24 s SER 10 Cb -0.15 -1.60 -0.01 0.00 -1.71 0.00 0.00 66.02 62.55 2a24 s SER 10 CO 0.09 -0.24 0.65 -0.60 1.20 0.00 0.00 173.24 174.35 2a24 s ARG 11 N 1.10 3.97 0.17 5.44 6.06 -0.11 -1.44 118.95 134.15 2a24 s ARG 11 Ca -0.05 0.42 0.08 0.00 -2.50 0.00 0.00 55.73 53.68 2a24 s ARG 11 Cb -0.20 -3.70 -0.04 0.00 0.06 0.00 0.00 34.95 31.07 2a24 s ARG 11 CO -0.05 -0.54 -0.08 -1.01 -2.50 0.00 0.00 175.30 171.13 2a24 s HIS 12 N 2.63 2.68 0.00 5.12 3.76 -0.15 -1.64 115.29 127.70 2a24 s HIS 12 Ca 0.27 -0.20 -0.05 0.00 -0.15 0.00 0.00 55.06 54.93 2a24 s HIS 12 Cb -0.15 -1.32 -0.00 0.00 1.11 0.00 0.00 32.58 32.22 2a24 s HIS 12 CO 0.11 0.51 0.09 -1.54 -0.85 0.00 0.00 174.74 173.05 2a24 s SER 13 N -2.80 0.07 0.96 1.40 1.04 -1.18 0.60 113.70 113.79 2a24 s SER 13 Ca 0.25 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2a24 s SER 13 Cb -0.09 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2a24 s SER 13 CO 0.16 -0.31 0.00 0.23 0.98 0.00 0.00 173.24 174.30 2a24 n MET 14 N 1.68 0.00 -0.12 4.02 2.81 -1.23 -0.58 117.12 123.70 2a24 n MET 14 Ca -0.22 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.65 2a24 n MET 14 Cb 0.56 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 33.09 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 7.65 2.79 -2.44 7.83 5.75 -1.26 -4.74 116.55 132.13 2a24 n ASP 15 Ca 0.00 -2.15 -0.14 0.00 -0.01 0.00 0.00 54.79 52.49 2a24 n ASP 15 Cb 0.00 -0.53 0.05 0.00 -1.03 0.00 0.00 41.12 39.61 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 0.28 -4.78 0.00 0.11 1.56 -0.12 -4.73 117.12 109.44 2a24 n MET 16 Ca 0.06 0.52 0.00 0.00 -0.27 0.00 0.00 57.70 58.00 2a24 n MET 16 Cb 0.57 -4.60 0.00 0.00 2.15 0.00 0.00 33.22 31.34 2a24 n MET 16 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2a24 n LYS 17 N -3.22 1.13 -3.96 2.12 5.02 0.25 -4.28 118.16 115.22 2a24 n LYS 17 Ca -0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.95 2a24 n LYS 17 Cb 0.55 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.41 2a24 n LYS 17 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2a24 s PHE 18 N 0.00 3.00 -0.21 2.13 0.08 -1.26 -3.11 117.98 118.61 2a24 s PHE 18 Ca 0.00 -2.37 0.22 0.00 0.12 0.00 0.00 56.93 54.90 2a24 s PHE 18 Cb 0.00 -2.22 -0.07 0.00 -0.57 0.00 0.00 43.02 40.16 2a24 s PHE 18 CO 0.00 -0.88 0.93 0.25 -0.10 0.00 0.00 175.22 175.42 2a24 n THR 19 N 4.49 0.47 -3.52 0.64 -2.24 -0.65 -3.60 114.28 109.86 2a24 n THR 19 Ca -0.04 -0.53 -0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2a24 n THR 19 Cb 0.42 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 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 -3.39 -0.70 0.23 4.78 5.04 -1.22 -5.04 117.35 117.04 2a24 s TYR 20 Ca -0.02 1.28 0.10 0.00 -2.44 0.00 0.00 57.07 55.99 2a24 s TYR 20 Cb 0.11 0.42 -0.04 0.00 0.35 0.00 0.00 41.96 42.79 2a24 s TYR 20 CO 0.81 -0.35 -0.09 0.00 -1.34 0.00 0.00 175.55 174.58 2a24 s ASP 22 N -3.23 6.71 0.50 0.00 -1.08 -0.92 -4.91 116.67 113.73 2a24 s ASP 22 Ca 0.28 1.22 0.30 0.00 -0.52 0.00 0.00 52.55 53.83 2a24 s ASP 22 Cb -0.07 -2.35 1.06 0.00 -1.46 0.00 0.00 42.92 40.10 2a24 s ASP 22 CO 0.16 -0.24 1.87 -2.24 0.52 0.00 0.00 175.17 175.24 2a24 h ASP 23 N 2.05 0.00 0.87 -0.34 3.04 -1.99 -2.75 116.42 117.30 2a24 h ASP 23 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2a24 h ASP 23 Cb 1.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 2a24 h ASP 23 CO 0.65 0.00 0.00 0.03 -2.04 0.00 0.00 179.24 177.88 2a24 h ARG 24 N 0.00 0.00 0.00 4.15 3.08 -1.93 -2.64 114.38 117.04 2a24 h ARG 24 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2a24 h ARG 24 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2a24 h ARG 24 CO 0.00 0.00 -0.22 0.97 -1.07 0.00 0.00 179.97 179.65 2a24 h ILE 25 N 0.00 0.64 -0.17 2.04 2.10 -1.80 -2.71 117.51 117.61 2a24 h ILE 25 Ca 0.00 -1.01 -0.16 0.00 1.08 0.00 0.00 64.86 64.77 2a24 h ILE 25 Cb 0.43 1.66 -0.01 0.00 -1.09 0.00 0.00 36.82 37.82 2a24 h ILE 25 CO 0.00 0.22 -0.56 0.74 -1.08 0.00 0.00 178.15 177.47 2a24 h THR 26 N 0.00 1.33 -0.00 2.19 2.02 -1.48 0.10 112.91 117.07 2a24 h THR 26 Ca -0.00 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.35 2a24 h THR 26 Cb 0.64 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 2a24 h THR 26 CO 0.03 0.56 -0.30 -1.84 0.37 0.00 0.00 175.52 174.35 2a24 n GLU 27 N -3.95 0.07 -0.05 6.66 0.28 -1.09 -2.45 120.64 120.11 2a24 n GLU 27 Ca -0.03 -0.03 -0.06 0.00 -0.16 0.00 0.00 57.16 56.87 2a24 n GLU 27 Cb 0.61 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.96 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 -1.44 1.66 0.02 -1.84 4.77 -1.04 -4.79 117.00 114.34 2a24 n LEU 28 Ca 0.07 0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 56.16 2a24 n LEU 28 Cb 0.33 -0.62 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 2a24 n LEU 28 CO 0.31 -0.41 -0.53 0.40 -1.33 0.00 0.00 177.39 175.83 2a24 h ILE 29 N -0.69 0.90 0.00 -0.08 2.04 -1.02 -3.48 117.51 115.18 2a24 h ILE 29 Ca 0.00 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.22 2a24 h ILE 29 Cb 0.69 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 2a24 h ILE 29 CO 0.00 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.50 2a24 n GLY 30 N 1.72 2.96 3.71 5.37 0.00 -0.83 -0.50 105.19 117.63 2a24 n GLY 30 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.58 3.65 0.18 1.61 2.02 -1.26 -4.82 117.35 116.15 2a24 s TYR 31 Ca 0.00 1.67 -0.30 0.00 -0.37 0.00 0.00 57.07 58.07 2a24 s TYR 31 Cb 0.00 -3.15 -0.08 0.00 -0.40 0.00 0.00 41.96 38.33 2a24 s TYR 31 CO 0.00 -0.13 1.21 -1.58 -1.57 0.00 0.00 175.55 173.49 2a24 s HIS 32 N 0.94 3.41 0.24 2.71 2.46 -1.26 -3.39 115.29 120.41 2a24 s HIS 32 Ca 0.52 1.39 -0.07 0.00 0.47 0.00 0.00 55.06 57.37 2a24 s HIS 32 Cb -0.22 -3.45 0.44 0.00 -0.13 0.00 0.00 32.58 29.22 2a24 s HIS 32 CO 0.28 -1.29 1.65 -1.00 -2.47 0.00 0.00 174.74 171.91 2a24 h PRO 33 N 5.40 0.13 0.00 2.88 0.13 -1.91 0.12 132.00 138.76 2a24 h PRO 33 Ca -0.44 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2a24 h PRO 33 Cb 1.21 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2a24 h PRO 33 CO 0.75 0.09 -0.18 0.93 -0.23 0.00 0.00 178.00 179.36 2a24 h GLU 34 N 0.14 0.00 0.00 0.86 4.39 -1.92 -1.98 114.58 116.07 2a24 h GLU 34 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 2a24 h GLU 34 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2a24 h GLU 34 CO -0.62 0.18 0.00 0.93 -1.16 0.00 0.00 179.01 178.34 2a24 h GLU 35 N 0.00 0.00 0.00 2.33 4.39 -1.14 -3.04 114.58 117.12 2a24 h GLU 35 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2a24 h GLU 35 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2a24 h GLU 35 CO 0.02 0.00 -1.36 1.28 -1.16 0.00 0.00 179.01 177.79 2a24 n LEU 36 N -2.43 0.53 -4.55 1.33 4.77 -0.77 -4.72 117.00 111.15 2a24 n LEU 36 Ca 0.04 -0.16 -0.35 0.00 -0.03 0.00 0.00 56.01 55.51 2a24 n LEU 36 Cb 0.39 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 2a24 n LEU 36 CO 0.28 0.09 1.53 -0.76 -1.33 0.00 0.00 177.39 177.20 2a24 s LEU 37 N -3.86 3.25 0.00 2.23 1.43 -1.05 -2.94 118.68 117.73 2a24 s LEU 37 Ca 0.01 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2a24 s LEU 37 Cb 0.15 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.83 2a24 s LEU 37 CO 0.86 -2.47 0.00 0.61 0.23 0.00 0.00 176.35 175.58 2a24 n GLY 38 N 6.03 3.45 3.78 -3.19 0.00 -1.24 -5.03 105.19 108.99 2a24 n GLY 38 Ca 0.26 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 1.68 0.09 1.61 1.70 -1.15 -4.93 118.95 117.96 2a24 s ARG 39 Ca 0.00 0.62 -0.25 0.00 -0.47 0.00 0.00 55.73 55.63 2a24 s ARG 39 Cb 0.00 -1.87 -0.06 0.00 -0.57 0.00 0.00 34.95 32.44 2a24 s ARG 39 CO 0.00 -1.90 0.78 -1.12 -1.08 0.00 0.00 175.30 171.98 2a24 s SER 40 N -3.79 7.30 0.39 -2.89 0.01 -1.26 -4.33 113.70 109.12 2a24 s SER 40 Ca 0.62 1.54 0.21 0.00 1.31 0.00 0.00 55.95 59.63 2a24 s SER 40 Cb -0.15 -2.49 0.72 0.00 0.21 0.00 0.00 66.02 64.31 2a24 s SER 40 CO 0.55 0.08 1.74 0.00 0.41 0.00 0.00 173.24 176.02 2a24 h ALA 41 N 5.17 0.98 0.00 1.44 0.00 -1.85 -2.89 119.26 122.10 2a24 h ALA 41 Ca -0.45 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2a24 h ALA 41 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2a24 h ALA 41 CO 0.69 0.40 0.00 1.88 0.00 0.00 0.00 179.25 182.22 2a24 h TYR 42 N 0.00 0.00 0.00 0.00 0.05 -1.87 -2.06 116.97 113.09 2a24 h TYR 42 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 2a24 h TYR 42 Cb 0.88 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 2a24 h TYR 42 CO 0.00 0.00 -0.22 0.93 -1.05 0.00 0.00 178.16 177.82 2a24 h GLU 43 N 0.00 0.00 0.00 4.88 5.08 -1.92 -3.03 114.58 119.59 2a24 h GLU 43 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2a24 h GLU 43 Cb 0.35 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.43 2a24 h GLU 43 CO 0.00 0.22 -0.70 1.97 -1.00 0.00 0.00 179.01 179.50 2a24 n PHE 44 N -4.23 0.00 -1.37 4.33 -1.74 -1.03 -4.94 117.46 108.48 2a24 n PHE 44 Ca -0.02 -0.82 -0.38 0.00 -0.56 0.00 0.00 57.45 55.67 2a24 n PHE 44 Cb 0.28 -0.17 -0.02 0.00 1.52 0.00 0.00 39.48 41.09 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 -0.27 2.63 -1.14 2.97 4.01 -0.81 -4.26 117.16 120.30 2a24 n TYR 45 Ca 0.11 -2.76 0.10 0.00 -0.16 0.00 0.00 57.90 55.18 2a24 n TYR 45 Cb 0.90 -2.33 -0.03 0.00 -0.31 0.00 0.00 39.34 37.57 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 5.01 -2.83 -0.06 -0.72 8.25 -1.26 -3.73 115.22 119.88 2a24 n HIS 46 Ca 0.61 0.95 -0.12 0.00 -0.26 0.00 0.00 57.72 58.90 2a24 n HIS 46 Cb 0.29 -1.74 -0.04 0.00 1.12 0.00 0.00 29.99 29.62 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 -1.59 1.95 -0.09 -1.41 0.00 -1.26 -4.68 120.51 113.43 2a24 n ALA 47 Ca 0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 2a24 n ALA 47 Cb 0.35 0.24 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.80 0.47 -0.86 0.00 -0.00 -1.26 -4.38 117.00 107.16 2a24 n LEU 48 Ca -0.22 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.01 55.76 2a24 n LEU 48 Cb 0.56 0.24 0.03 0.00 -0.00 0.00 0.00 43.42 44.26 2a24 n LEU 48 CO 0.05 0.50 0.44 0.47 -0.00 0.00 0.00 177.39 178.84 2a24 n ASP 49 N -2.72 2.20 -0.06 1.45 9.92 -1.26 -3.96 116.55 122.12 2a24 n ASP 49 Ca -0.30 -2.13 -0.14 0.00 -0.53 0.00 0.00 54.79 51.68 2a24 n ASP 49 Cb 1.04 -0.53 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 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 0.30 0.92 -0.32 -2.24 0.02 -1.76 -2.86 113.55 107.60 2a24 h SER 50 Ca 0.03 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 2a24 h SER 50 Cb 0.90 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2a24 h SER 50 CO 0.08 1.29 0.10 -0.33 -1.14 0.00 0.00 176.83 176.83 2a24 h GLU 51 N 0.63 0.50 -0.89 3.45 4.39 -1.89 -1.95 114.58 118.81 2a24 h GLU 51 Ca 0.01 -0.11 0.10 0.00 0.34 0.00 0.00 59.36 59.71 2a24 h GLU 51 Cb 1.16 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.66 2a24 h GLU 51 CO 0.12 0.54 0.53 -0.97 -1.16 0.00 0.00 179.01 178.07 2a24 h ASN 52 N 0.36 0.77 0.02 1.42 -0.73 -1.83 0.37 115.58 115.95 2a24 h ASN 52 Ca 0.10 0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 2a24 h ASN 52 Cb 0.25 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.74 2a24 h ASN 52 CO -0.00 0.42 -0.01 -0.03 -0.37 0.00 0.00 177.43 177.44 2a24 h MET 53 N 0.87 -0.02 -0.77 6.67 4.05 -1.24 -0.23 114.93 124.26 2a24 h MET 53 Ca 0.44 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.80 2a24 h MET 53 Cb 0.41 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 2a24 h MET 53 CO -0.26 0.19 0.27 1.15 0.23 0.00 0.00 176.91 178.49 2a24 h THR 54 N -0.23 1.26 -0.03 -0.77 2.02 -0.72 0.41 112.91 114.85 2a24 h THR 54 Ca -0.00 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 2a24 h THR 54 Cb 0.22 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2a24 h THR 54 CO 0.00 0.35 0.01 0.11 0.37 0.00 0.00 175.52 176.37 2a24 h LYS 55 N 1.13 0.04 -0.34 6.66 6.56 -0.17 0.14 116.57 130.59 2a24 h LYS 55 Ca 0.25 -0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.75 2a24 h LYS 55 Cb 0.27 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.90 2a24 h LYS 55 CO -0.01 0.08 -0.16 0.77 -2.06 0.00 0.00 179.45 178.07 2a24 h SER 56 N -0.02 0.60 -0.17 0.86 0.02 -0.84 -1.50 113.55 112.49 2a24 h SER 56 Ca 0.01 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2a24 h SER 56 Cb 0.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2a24 h SER 56 CO -0.00 0.78 0.09 -0.74 -1.14 0.00 0.00 176.83 175.81 2a24 h HIS 57 N 0.55 0.24 -0.71 3.45 -0.00 0.26 0.29 115.15 119.24 2a24 h HIS 57 Ca 0.09 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.38 2a24 h HIS 57 Cb 0.59 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.89 2a24 h HIS 57 CO 0.02 0.26 0.18 0.37 -0.00 0.00 0.00 177.93 178.77 2a24 h GLN 58 N 0.16 1.13 -0.49 5.26 4.15 -0.57 -2.43 115.11 122.31 2a24 h GLN 58 Ca 0.06 -0.27 -0.09 0.00 0.77 0.00 0.00 58.65 59.13 2a24 h GLN 58 Cb 0.11 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2a24 h GLN 58 CO -0.01 0.99 -0.04 -0.97 -1.93 0.00 0.00 178.83 176.87 2a24 h ASN 59 N 1.07 0.83 -0.40 -0.69 -1.24 -1.02 -2.77 115.58 111.35 2a24 h ASN 59 Ca 0.22 -0.23 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 2a24 h ASN 59 Cb 0.36 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 2a24 h ASN 59 CO 0.00 0.92 0.20 0.25 -1.29 0.00 0.00 177.43 177.51 2a24 h LEU 60 N 0.78 0.56 -1.16 0.34 5.85 -0.02 0.25 115.31 121.90 2a24 h LEU 60 Ca 0.14 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2a24 h LEU 60 Cb 0.53 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2a24 h LEU 60 CO 0.03 0.48 0.00 0.00 -0.34 0.00 0.00 178.44 178.61 2a24 n THR 62 N -2.55 0.70 0.09 0.00 -2.24 -0.63 -4.64 114.28 105.01 2a24 n THR 62 Ca 0.01 -0.33 -0.03 0.00 -2.27 0.00 0.00 64.05 61.43 2a24 n THR 62 Cb 0.22 -0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 67.53 2a24 n THR 62 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2a24 h LYS 63 N 0.00 0.00 0.00 -0.78 1.79 -0.54 -3.48 116.57 113.56 2a24 h LYS 63 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2a24 h LYS 63 Cb 1.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.15 2a24 h LYS 63 CO -0.02 0.77 0.00 0.41 -1.08 0.00 0.00 179.45 179.53 2a24 n GLY 64 N 1.31 1.93 2.69 3.86 0.00 -0.02 -4.78 105.19 110.18 2a24 n GLY 64 Ca -0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 0.50 -0.04 1.61 0.74 -1.26 -0.74 119.66 120.48 2a24 s GLN 65 Ca 0.00 -0.49 -0.02 0.00 0.05 0.00 0.00 55.36 54.90 2a24 s GLN 65 Cb 0.00 -1.92 0.03 0.00 1.10 0.00 0.00 33.01 32.22 2a24 s GLN 65 CO 0.00 -0.76 0.09 0.54 -0.55 0.00 0.00 175.29 174.61 2a24 s VAL 66 N 1.90 -0.04 -0.04 1.34 0.11 -0.60 -4.99 120.40 118.07 2a24 s VAL 66 Ca 0.03 0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 58.93 2a24 s VAL 66 Cb -0.17 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 2a24 s VAL 66 CO -0.15 0.06 0.98 -0.69 -3.33 0.00 0.00 175.10 171.97 2a24 s VAL 67 N 0.85 4.84 0.60 2.04 1.01 -1.26 -2.25 120.40 126.23 2a24 s VAL 67 Ca -0.07 2.04 -0.09 0.00 0.00 0.00 0.00 61.98 63.86 2a24 s VAL 67 Cb -0.09 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 2a24 s VAL 67 CO -0.03 0.11 0.96 -0.44 0.00 0.00 0.00 175.10 175.69 2a24 s SER 68 N 1.04 5.89 0.76 3.32 0.01 0.14 -4.96 113.70 119.90 2a24 s SER 68 Ca 0.50 1.07 -0.04 0.00 1.31 0.00 0.00 55.95 58.79 2a24 s SER 68 Cb -0.20 -2.11 0.12 0.00 0.21 0.00 0.00 66.02 64.04 2a24 s SER 68 CO 0.24 -0.97 0.76 0.61 0.41 0.00 0.00 173.24 174.29 2a24 n GLY 69 N -2.67 -0.08 3.70 3.44 0.00 -1.26 -4.12 105.19 104.19 2a24 n GLY 69 Ca 0.05 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 -4.49 4.38 0.20 1.61 -0.21 -1.26 -4.50 119.66 115.39 2a24 s GLN 70 Ca 0.47 1.79 0.02 0.00 0.02 0.00 0.00 55.36 57.66 2a24 s GLN 70 Cb -0.02 -3.44 -0.05 0.00 1.00 0.00 0.00 33.01 30.50 2a24 s GLN 70 CO 0.32 -0.38 0.01 1.52 -2.12 0.00 0.00 175.29 174.64 2a24 s TYR 71 N 1.65 1.33 -0.83 0.91 -0.85 -1.01 -4.94 117.35 113.62 2a24 s TYR 71 Ca 0.59 -1.01 -0.19 0.00 -0.52 0.00 0.00 57.07 55.94 2a24 s TYR 71 Cb -0.29 -0.76 0.13 0.00 0.38 0.00 0.00 41.96 41.42 2a24 s TYR 71 CO 0.27 -0.18 0.99 1.03 -1.52 0.00 0.00 175.55 176.13 2a24 s ARG 72 N -3.91 3.45 0.07 -3.49 0.52 -1.26 -1.96 118.95 112.38 2a24 s ARG 72 Ca 0.26 -1.68 -0.31 0.00 -0.52 0.00 0.00 55.73 53.49 2a24 s ARG 72 Cb 0.06 -4.66 -0.07 0.00 0.52 0.00 0.00 34.95 30.81 2a24 s ARG 72 CO 0.06 -1.67 1.34 1.41 0.02 0.00 0.00 175.30 176.46 2a24 s MET 73 N 2.49 4.34 -0.28 3.54 1.75 0.12 -4.51 119.30 126.76 2a24 s MET 73 Ca 0.26 1.97 -0.29 0.00 -1.25 0.00 0.00 55.69 56.38 2a24 s MET 73 Cb -0.10 -3.35 -0.01 0.00 2.84 0.00 0.00 34.83 34.21 2a24 s MET 73 CO -0.04 -0.42 1.42 -1.17 -0.65 0.00 0.00 175.02 174.16 2a24 s LEU 74 N 1.39 3.86 0.63 4.11 2.96 -1.25 -0.40 118.68 129.98 2a24 s LEU 74 Ca 0.63 1.33 -0.06 0.00 -0.22 0.00 0.00 54.13 55.81 2a24 s LEU 74 Cb -0.34 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 42.85 2a24 s LEU 74 CO 0.29 -1.17 0.94 0.00 -1.32 0.00 0.00 176.35 175.08 2a24 s ALA 75 N 4.76 3.29 -0.12 5.97 0.00 0.11 -4.93 121.76 130.85 2a24 s ALA 75 Ca 0.62 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 2a24 s ALA 75 Cb -0.19 -2.56 -0.20 0.00 0.00 0.00 0.00 23.12 20.17 2a24 s ALA 75 CO 0.26 -1.00 2.93 1.17 0.00 0.00 0.00 175.76 179.13 2a24 n LYS 76 N -2.70 1.70 -0.35 0.00 4.81 0.35 -2.56 118.16 119.41 2a24 n LYS 76 Ca 0.06 -0.89 -0.00 0.00 -0.87 0.00 0.00 58.31 56.61 2a24 n LYS 76 Cb 0.59 -1.96 -0.00 0.00 0.02 0.00 0.00 35.03 33.67 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 2.72 0.00 -1.54 5.64 1.44 -1.26 -4.97 115.22 117.25 2a24 n HIS 77 Ca 0.37 -0.03 -0.10 0.00 -2.01 0.00 0.00 57.72 55.94 2a24 n HIS 77 Cb 0.68 0.23 -0.03 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 0.83 3.93 -1.39 0.00 -1.06 -5.01 105.19 102.50 2a24 n GLY 78 Ca -0.02 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.79 1.52 -0.38 -0.02 0.00 -1.25 -4.88 107.32 99.52 2a24 s GLY 79 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.92 2a24 s GLY 79 CO 0.00 -0.76 0.12 -0.19 0.00 0.00 0.00 173.10 172.27 2a24 s TYR 80 N -2.18 2.89 -0.13 1.90 2.02 0.12 0.09 117.35 122.06 2a24 s TYR 80 Ca 0.40 -2.62 -0.22 0.00 -0.37 0.00 0.00 57.07 54.26 2a24 s TYR 80 Cb -0.10 -2.45 -0.03 0.00 -0.40 0.00 0.00 41.96 38.98 2a24 s TYR 80 CO 0.33 -0.87 0.64 0.08 -1.57 0.00 0.00 175.55 174.16 2a24 s VAL 81 N 0.81 5.05 -0.52 0.71 1.01 0.46 0.27 120.40 128.21 2a24 s VAL 81 Ca 0.13 1.28 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 2a24 s VAL 81 Cb -0.20 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2a24 s VAL 81 CO -0.10 0.20 1.44 0.26 0.00 0.00 0.00 175.10 176.91 2a24 s TRP 82 N 1.22 2.28 0.20 5.22 0.52 -1.19 0.16 118.94 127.35 2a24 s TRP 82 Ca 0.32 0.55 0.10 0.00 0.02 0.00 0.00 56.10 57.09 2a24 s TRP 82 Cb -0.16 -4.35 -0.04 0.00 -1.15 0.00 0.00 33.47 27.76 2a24 s TRP 82 CO 0.14 -2.02 -0.16 -0.51 0.02 0.00 0.00 176.95 174.42 2a24 s LEU 83 N 6.04 2.72 -0.16 2.99 1.02 -0.83 -3.56 118.68 126.91 2a24 s LEU 83 Ca 0.56 -0.74 0.00 0.00 0.02 0.00 0.00 54.13 53.98 2a24 s LEU 83 Cb -0.12 -1.41 0.03 0.00 0.02 0.00 0.00 46.19 44.71 2a24 s LEU 83 CO 0.27 0.10 -0.13 -1.61 0.02 0.00 0.00 176.35 175.00 2a24 s GLU 84 N -2.85 2.23 -0.09 1.70 2.02 -1.18 -2.39 118.70 118.14 2a24 s GLU 84 Ca 0.24 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.61 2a24 s GLU 84 Cb -0.08 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.93 2a24 s GLU 84 CO 0.13 -0.29 -0.16 0.99 0.02 0.00 0.00 175.26 175.95 2a24 s THR 85 N 1.46 2.82 -0.45 3.63 2.01 -1.26 0.27 115.64 124.12 2a24 s THR 85 Ca 0.03 -0.77 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 2a24 s THR 85 Cb -0.14 -2.13 0.07 0.00 0.01 0.00 0.00 72.50 70.32 2a24 s THR 85 CO -0.10 0.56 0.34 -1.58 -0.69 0.00 0.00 174.62 173.15 2a24 s GLN 86 N -0.08 2.85 0.01 4.92 0.74 0.24 0.26 119.66 128.59 2a24 s GLN 86 Ca -0.03 -1.37 -0.24 0.00 0.05 0.00 0.00 55.36 53.77 2a24 s GLN 86 Cb -0.14 -4.00 -0.05 0.00 1.10 0.00 0.00 33.01 29.92 2a24 s GLN 86 CO 0.04 -0.99 0.72 0.20 -0.55 0.00 0.00 175.29 174.71 2a24 s GLY 87 N 2.39 2.72 -0.28 2.59 0.00 -0.96 -2.02 107.32 111.77 2a24 s GLY 87 Ca 0.04 0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.94 2a24 s GLY 87 CO 0.05 1.05 0.23 -1.59 0.00 0.00 0.00 173.10 172.84 2a24 s THR 88 N 0.10 -0.27 -0.10 0.90 2.01 0.32 -1.56 115.64 117.04 2a24 s THR 88 Ca 0.37 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.60 2a24 s THR 88 Cb -0.19 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 2a24 s THR 88 CO 0.21 -0.54 0.64 -0.69 -0.69 0.00 0.00 174.62 173.55 2a24 s VAL 89 N 2.26 5.08 -0.05 3.82 1.01 0.09 -0.58 120.40 132.02 2a24 s VAL 89 Ca 0.09 1.30 -0.19 0.00 0.00 0.00 0.00 61.98 63.18 2a24 s VAL 89 Cb -0.15 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 2a24 s VAL 89 CO -0.33 0.25 0.51 -0.51 0.00 0.00 0.00 175.10 175.03 2a24 s ILE 90 N 0.91 5.04 -0.14 2.22 1.10 0.04 -4.86 121.20 125.51 2a24 s ILE 90 Ca 0.34 1.05 -0.29 0.00 -0.51 0.00 0.00 60.65 61.24 2a24 s ILE 90 Cb -0.17 -3.85 -0.01 0.00 0.15 0.00 0.00 42.46 38.59 2a24 s ILE 90 CO 0.15 0.41 0.99 -0.31 -2.11 0.00 0.00 174.94 174.07 2a24 s TYR 91 N -0.02 3.47 -0.19 3.50 1.51 -1.26 -2.47 117.35 121.90 2a24 s TYR 91 Ca 0.28 1.53 -0.29 0.00 -1.01 0.00 0.00 57.07 57.58 2a24 s TYR 91 Cb -0.17 -3.18 -0.00 0.00 -0.11 0.00 0.00 41.96 38.50 2a24 s TYR 91 CO 0.14 -0.27 1.13 1.21 -1.11 0.00 0.00 175.55 176.64 2a24 s ASN 92 N 1.12 7.05 0.59 2.29 3.84 -0.70 -4.90 114.94 124.23 2a24 s ASN 92 Ca 0.46 1.53 0.30 0.00 0.21 0.00 0.00 52.86 55.36 2a24 s ASN 92 Cb -0.17 -2.54 1.75 0.00 -0.55 0.00 0.00 41.25 39.74 2a24 s ASN 92 CO 0.15 -0.69 2.17 1.55 -2.79 0.00 0.00 177.10 177.49 2a24 h PRO 93 N 7.72 0.00 0.00 0.43 0.13 -1.95 1.06 132.00 139.39 2a24 h PRO 93 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2a24 h PRO 93 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2a24 h PRO 93 CO 0.96 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.62 2a24 h ARG 94 N 0.00 0.00 0.00 0.86 3.08 -1.97 -3.36 114.38 112.99 2a24 h ARG 94 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2a24 h ARG 94 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2a24 h ARG 94 CO -0.00 0.00 -0.80 0.09 -1.07 0.00 0.00 179.97 178.19 2a24 n ASN 95 N -2.68 4.02 -1.70 7.04 4.13 -0.45 -5.01 115.26 120.60 2a24 n ASN 95 Ca 0.04 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.14 2a24 n ASN 95 Cb 0.49 0.70 -0.03 0.00 -1.54 0.00 0.00 39.78 39.41 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 -1.33 -1.60 -4.26 3.41 4.77 0.35 -4.99 117.00 113.36 2a24 n LEU 96 Ca 0.00 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 2a24 n LEU 96 Cb 0.10 -2.41 -0.10 0.00 -2.33 0.00 0.00 43.42 38.68 2a24 n LEU 96 CO 0.00 -0.36 -0.33 0.00 -1.33 0.00 0.00 177.39 175.36 2a24 s GLN 97 N -4.42 1.15 -0.10 3.23 -2.07 -1.25 -4.90 119.66 111.31 2a24 s GLN 97 Ca 0.00 -1.56 -0.29 0.00 -1.82 0.00 0.00 55.36 51.69 2a24 s GLN 97 Cb 0.00 -0.36 -0.06 0.00 -1.09 0.00 0.00 33.01 31.51 2a24 s GLN 97 CO 0.00 -0.11 1.83 -2.14 -1.32 0.00 0.00 175.29 173.55 2a24 s PRO 98 N -3.90 3.89 0.00 9.60 0.02 -1.26 -1.72 135.00 141.63 2a24 s PRO 98 Ca 0.24 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.41 2a24 s PRO 98 Cb 0.06 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.46 2a24 s PRO 98 CO 0.05 -1.22 0.00 0.94 -0.33 0.00 0.00 177.00 176.44 2a24 n GLN 99 N 7.68 0.00 -2.82 5.54 -0.06 -1.03 -4.80 117.38 121.89 2a24 n GLN 99 Ca 0.21 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.78 2a24 n GLN 99 Cb 0.43 -0.05 -0.04 0.00 -4.06 0.00 0.00 30.24 26.53 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 3.43 4.84 -0.52 0.00 1.01 0.20 -0.78 121.20 129.39 2a24 s ILE 101 Ca 0.38 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 2a24 s ILE 101 Cb -0.12 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 38.02 2a24 s ILE 101 CO 0.18 -0.90 1.19 -0.32 0.00 0.00 0.00 174.94 175.09 2a24 s MET 102 N 2.70 3.62 -0.38 2.79 -2.45 0.25 -0.97 119.30 124.85 2a24 s MET 102 Ca 0.15 0.47 -0.04 0.00 -1.25 0.00 0.00 55.69 55.01 2a24 s MET 102 Cb -0.20 -3.97 0.08 0.00 1.25 0.00 0.00 34.83 32.00 2a24 s MET 102 CO 0.11 -1.53 0.16 0.00 1.05 0.00 0.00 175.02 174.80 2a24 s VAL 104 N 1.25 4.70 -0.36 0.00 1.01 -0.86 -1.35 120.40 124.79 2a24 s VAL 104 Ca 0.03 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 2a24 s VAL 104 Cb -0.22 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 2a24 s VAL 104 CO -0.02 -0.74 0.39 0.21 0.00 0.00 0.00 175.10 174.94 2a24 s ASN 105 N 2.24 6.20 -0.77 3.32 3.84 -0.97 -0.59 114.94 128.21 2a24 s ASN 105 Ca 0.26 -0.29 -0.16 0.00 0.21 0.00 0.00 52.86 52.88 2a24 s ASN 105 Cb -0.14 -2.21 0.17 0.00 -0.55 0.00 0.00 41.25 38.52 2a24 s ASN 105 CO 0.20 -0.40 0.79 -0.31 -2.79 0.00 0.00 177.10 174.60 2a24 s TYR 106 N 2.08 3.42 -0.13 0.43 2.02 0.14 -2.20 117.35 123.11 2a24 s TYR 106 Ca 0.12 -1.59 -0.29 0.00 -0.37 0.00 0.00 57.07 54.95 2a24 s TYR 106 Cb -0.17 -3.95 -0.02 0.00 -0.40 0.00 0.00 41.96 37.43 2a24 s TYR 106 CO 0.12 -1.15 1.25 0.08 -1.57 0.00 0.00 175.55 174.28 2a24 s VAL 107 N 1.34 4.26 0.07 0.71 1.01 -1.22 -3.10 120.40 123.47 2a24 s VAL 107 Ca 0.18 1.55 -0.00 0.00 0.00 0.00 0.00 61.98 63.70 2a24 s VAL 107 Cb -0.14 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 2a24 s VAL 107 CO -0.05 -0.09 -0.00 0.18 0.00 0.00 0.00 175.10 175.14 2a24 n LEU 108 N 6.17 0.84 -4.72 3.92 4.77 -1.26 -2.08 117.00 124.63 2a24 n LEU 108 Ca 0.13 0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.92 2a24 n LEU 108 Cb 0.45 -0.26 0.19 0.00 -2.33 0.00 0.00 43.42 41.48 2a24 n LEU 108 CO 0.56 -0.56 0.70 -0.44 -1.33 0.00 0.00 177.39 176.32 2a24 s SER 109 N -5.74 2.26 0.38 -1.43 0.01 -1.23 -4.94 113.70 103.01 2a24 s SER 109 Ca -0.00 0.72 0.03 0.00 1.31 0.00 0.00 55.95 58.00 2a24 s SER 109 Cb 0.00 -1.06 0.05 0.00 0.21 0.00 0.00 66.02 65.22 2a24 s SER 109 CO 0.00 -3.30 0.40 -1.84 0.41 0.00 0.00 173.24 168.91 2a24 n GLU 110 N -4.22 0.60 -2.91 12.44 0.00 -1.26 -4.62 120.64 120.67 2a24 n GLU 110 Ca 0.11 -1.35 -0.41 0.00 0.00 0.00 0.00 57.16 55.51 2a24 n GLU 110 Cb 0.59 -0.19 -0.04 0.00 0.00 0.00 0.00 31.44 31.80 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 -0.90 4.94 -2.20 3.84 1.01 -1.26 -3.16 121.20 123.48 2a24 s ILE 111 Ca 0.29 1.65 0.18 0.00 0.00 0.00 0.00 60.65 62.76 2a24 s ILE 111 Cb -0.02 -4.14 0.14 0.00 0.01 0.00 0.00 42.46 38.45 2a24 s ILE 111 CO 0.19 0.13 1.06 1.21 0.00 0.00 0.00 174.94 177.53