#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 0.69 -0.10 -0.18 -4.23 -1.26 -2.33 115.64 108.24 2a24 s THR 7 Ca 0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 2a24 s THR 7 Cb 0.00 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.25 2a24 s THR 7 CO 0.00 0.00 0.22 0.12 -0.54 0.00 0.00 174.62 174.42 2a24 s PHE 8 N -3.57 -0.29 -0.28 3.99 5.36 -0.24 -4.91 117.98 118.05 2a24 s PHE 8 Ca 0.36 0.71 -0.20 0.00 -0.96 0.00 0.00 56.93 56.84 2a24 s PHE 8 Cb 0.07 0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 2a24 s PHE 8 CO 0.15 -0.22 0.63 -1.17 -1.46 0.00 0.00 175.22 173.15 2a24 s LEU 9 N 1.22 4.10 -0.18 6.12 1.98 -1.26 0.00 118.68 130.66 2a24 s LEU 9 Ca -0.09 0.56 -0.01 0.00 -2.89 0.00 0.00 54.13 51.70 2a24 s LEU 9 Cb -0.10 -2.83 0.00 0.00 0.66 0.00 0.00 46.19 43.92 2a24 s LEU 9 CO -0.08 -0.42 -0.13 -0.55 -1.89 0.00 0.00 176.35 173.28 2a24 s SER 10 N 1.56 3.70 -0.22 3.68 0.15 0.97 -1.27 113.70 122.27 2a24 s SER 10 Ca 0.25 -0.50 -0.08 0.00 0.70 0.00 0.00 55.95 56.32 2a24 s SER 10 Cb -0.15 -1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 2a24 s SER 10 CO 0.10 0.02 0.09 -0.13 1.20 0.00 0.00 173.24 174.52 2a24 s ARG 11 N 1.19 3.86 -0.07 5.44 1.81 0.02 -0.25 118.95 130.96 2a24 s ARG 11 Ca 0.02 -0.39 0.03 0.00 -1.72 0.00 0.00 55.73 53.67 2a24 s ARG 11 Cb -0.14 -3.33 0.01 0.00 -0.45 0.00 0.00 34.95 31.04 2a24 s ARG 11 CO -0.05 0.04 -0.14 -1.01 -0.68 0.00 0.00 175.30 173.45 2a24 s HIS 12 N 1.03 1.63 0.14 -0.53 3.76 -0.65 -1.03 115.29 119.64 2a24 s HIS 12 Ca 0.05 -0.59 -0.04 0.00 -0.15 0.00 0.00 55.06 54.33 2a24 s HIS 12 Cb -0.14 -1.15 -0.03 0.00 1.11 0.00 0.00 32.58 32.37 2a24 s HIS 12 CO 0.03 -0.27 0.13 -1.12 -0.85 0.00 0.00 174.74 172.66 2a24 s SER 13 N 0.51 0.22 1.26 1.40 0.01 -1.01 0.12 113.70 116.20 2a24 s SER 13 Ca -0.13 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.04 2a24 s SER 13 Cb -0.15 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2a24 s SER 13 CO 0.04 -0.78 0.00 0.23 0.41 0.00 0.00 173.24 173.14 2a24 n MET 14 N -0.13 0.00 -0.68 12.44 2.81 -1.26 -1.41 117.12 128.89 2a24 n MET 14 Ca -0.06 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.72 2a24 n MET 14 Cb 0.63 0.00 0.13 0.00 -0.71 0.00 0.00 33.22 33.27 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 9.10 3.50 -1.52 7.83 5.75 -1.26 -4.80 116.55 135.15 2a24 n ASP 15 Ca 0.00 -2.86 -0.16 0.00 -0.01 0.00 0.00 54.79 51.76 2a24 n ASP 15 Cb 0.00 -0.68 -0.04 0.00 -1.03 0.00 0.00 41.12 39.37 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 -0.30 -1.19 -1.74 0.11 0.00 -0.50 -4.80 117.12 108.70 2a24 n MET 16 Ca 0.31 0.92 -0.29 0.00 -0.00 0.00 0.00 57.70 58.64 2a24 n MET 16 Cb 1.11 -5.20 0.16 0.00 0.00 0.00 0.00 33.22 29.28 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 -4.07 0.87 -0.64 2.12 -2.85 -0.90 -4.51 119.74 109.76 2a24 s LYS 17 Ca 0.00 -0.09 -0.26 0.00 -1.00 0.00 0.00 55.97 54.62 2a24 s LYS 17 Cb 0.00 -1.84 0.04 0.00 -2.06 0.00 0.00 37.83 33.97 2a24 s LYS 17 CO 0.00 -2.31 1.12 -0.06 0.10 0.00 0.00 175.35 174.20 2a24 s PHE 18 N -3.58 2.56 0.11 1.78 0.40 -1.23 -2.40 117.98 115.63 2a24 s PHE 18 Ca 0.68 0.01 0.06 0.00 -0.60 0.00 0.00 56.93 57.08 2a24 s PHE 18 Cb -0.09 -4.41 -0.22 0.00 0.51 0.00 0.00 43.02 38.81 2a24 s PHE 18 CO 0.52 -1.70 1.25 1.15 0.70 0.00 0.00 175.22 177.15 2a24 h THR 19 N 6.05 1.68 -1.77 0.64 2.02 -1.38 -2.80 112.91 117.36 2a24 h THR 19 Ca -0.27 -3.37 0.02 0.00 0.77 0.00 0.00 66.41 63.56 2a24 h THR 19 Cb 1.06 2.86 -0.24 0.00 -1.74 0.00 0.00 68.15 70.09 2a24 h THR 19 CO 1.19 0.96 0.32 -0.47 0.37 0.00 0.00 175.52 177.90 2a24 s TYR 20 N -2.70 -0.60 -0.04 3.16 5.04 -1.22 -4.84 117.35 116.16 2a24 s TYR 20 Ca 0.00 1.43 0.03 0.00 -2.44 0.00 0.00 57.07 56.09 2a24 s TYR 20 Cb 0.10 0.33 0.00 0.00 0.35 0.00 0.00 41.96 42.74 2a24 s TYR 20 CO 0.83 -0.30 -0.11 0.00 -1.34 0.00 0.00 175.55 174.63 2a24 s ASP 22 N 0.29 5.61 0.65 0.00 -1.08 -0.39 -4.75 116.67 117.00 2a24 s ASP 22 Ca -0.06 2.68 0.39 0.00 -0.52 0.00 0.00 52.55 55.04 2a24 s ASP 22 Cb -0.11 -2.63 2.14 0.00 -1.46 0.00 0.00 42.92 40.86 2a24 s ASP 22 CO 0.01 -1.33 2.24 -0.78 0.52 0.00 0.00 175.17 175.83 2a24 h ASP 23 N 1.78 0.00 0.32 -0.34 3.58 -1.98 -1.35 116.42 118.43 2a24 h ASP 23 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2a24 h ASP 23 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2a24 h ASP 23 CO 0.59 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 177.49 2a24 n ARG 24 N -3.18 0.16 0.17 0.28 1.74 -1.26 -2.59 116.66 111.99 2a24 n ARG 24 Ca -0.02 0.17 0.02 0.00 -0.77 0.00 0.00 57.85 57.25 2a24 n ARG 24 Cb 0.16 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.41 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 1.20 0.00 0.55 2.10 -1.56 -2.57 117.51 117.23 2a24 h ILE 25 Ca 0.00 -1.58 0.00 0.00 1.08 0.00 0.00 64.86 64.36 2a24 h ILE 25 Cb 0.16 1.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 2a24 h ILE 25 CO 0.00 0.43 0.00 0.41 -1.08 0.00 0.00 178.15 177.91 2a24 n THR 26 N -3.84 0.78 1.14 2.19 -1.04 -1.07 -0.36 114.28 112.09 2a24 n THR 26 Ca -0.01 0.13 0.12 0.00 -2.04 0.00 0.00 64.05 62.25 2a24 n THR 26 Cb 0.49 -1.03 0.20 0.00 -1.82 0.00 0.00 70.33 68.17 2a24 n THR 26 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2a24 n GLU 27 N -2.19 1.26 0.05 -2.82 1.02 -0.97 -3.69 120.64 113.30 2a24 n GLU 27 Ca 0.03 -0.93 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 2a24 n GLU 27 Cb 0.27 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 -0.06 0.64 0.01 -4.62 4.77 -0.84 -4.89 117.00 112.01 2a24 n LEU 28 Ca 0.12 0.15 -0.18 0.00 -0.03 0.00 0.00 56.01 56.07 2a24 n LEU 28 Cb 0.43 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 2a24 n LEU 28 CO 0.25 -0.58 -0.69 0.40 -1.33 0.00 0.00 177.39 175.43 2a24 h ILE 29 N 0.00 0.73 0.00 -0.08 2.04 -0.95 -3.48 117.51 115.77 2a24 h ILE 29 Ca 0.00 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.39 2a24 h ILE 29 Cb 0.22 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2a24 h ILE 29 CO 0.00 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.55 2a24 n GLY 30 N 1.85 3.17 3.71 5.37 0.00 -0.93 -0.84 105.19 117.52 2a24 n GLY 30 Ca -0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 2a24 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a24 s TYR 31 N -2.75 3.24 0.18 1.61 2.02 -1.26 -4.79 117.35 115.60 2a24 s TYR 31 Ca 0.00 1.07 -0.31 0.00 -0.37 0.00 0.00 57.07 57.46 2a24 s TYR 31 Cb 0.00 -3.57 -0.09 0.00 -0.40 0.00 0.00 41.96 37.90 2a24 s TYR 31 CO 0.00 -1.93 1.48 -1.58 -1.57 0.00 0.00 175.55 171.95 2a24 s HIS 32 N 1.39 3.10 0.28 2.71 5.65 -1.26 -3.71 115.29 123.45 2a24 s HIS 32 Ca 0.62 0.83 -0.04 0.00 0.25 0.00 0.00 55.06 56.72 2a24 s HIS 32 Cb -0.32 -3.83 0.57 0.00 -1.18 0.00 0.00 32.58 27.81 2a24 s HIS 32 CO 0.29 -2.91 1.59 -1.00 -0.65 0.00 0.00 174.74 172.05 2a24 h PRO 33 N 6.28 0.03 0.00 2.88 0.13 -1.85 0.45 132.00 139.92 2a24 h PRO 33 Ca -0.43 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2a24 h PRO 33 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2a24 h PRO 33 CO 0.86 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.58 2a24 h GLU 34 N 0.03 0.00 0.00 0.86 4.39 -1.90 -3.00 114.58 114.96 2a24 h GLU 34 Ca 0.50 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.04 2a24 h GLU 34 Cb 0.92 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 2a24 h GLU 34 CO -0.87 0.00 -0.78 0.93 -1.16 0.00 0.00 179.01 177.13 2a24 h GLU 35 N 0.00 0.00 0.00 2.33 4.39 -0.47 -3.04 114.58 117.80 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 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2a24 h GLU 35 CO 0.00 0.78 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.33 2a24 h LEU 36 N 0.00 0.00 -8.81 1.33 4.07 -1.38 -3.42 115.31 107.09 2a24 h LEU 36 Ca -0.01 -0.07 -0.56 0.00 0.08 0.00 0.00 57.88 57.33 2a24 h LEU 36 Cb 1.39 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.11 2a24 h LEU 36 CO 0.10 0.04 1.37 -0.76 -1.08 0.00 0.00 178.44 178.11 2a24 s LEU 37 N -4.57 3.45 0.00 1.67 1.43 -1.15 -1.77 118.68 117.74 2a24 s LEU 37 Ca 0.09 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 2a24 s LEU 37 Cb 0.12 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2a24 s LEU 37 CO 0.65 -1.99 0.00 0.61 0.23 0.00 0.00 176.35 175.85 2a24 n GLY 38 N 5.60 0.24 3.91 -3.19 0.00 -1.06 -5.05 105.19 105.64 2a24 n GLY 38 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.97 3.36 0.11 1.61 1.70 -0.73 -5.00 118.95 119.03 2a24 s ARG 39 Ca 0.00 -0.51 -0.31 0.00 -0.47 0.00 0.00 55.73 54.44 2a24 s ARG 39 Cb 0.00 -2.98 -0.08 0.00 -0.57 0.00 0.00 34.95 31.32 2a24 s ARG 39 CO 0.00 0.58 1.43 -1.12 -1.08 0.00 0.00 175.30 175.11 2a24 s SER 40 N -2.66 6.79 0.26 -2.89 0.01 -1.26 -3.47 113.70 110.49 2a24 s SER 40 Ca 0.34 2.35 0.12 0.00 1.31 0.00 0.00 55.95 60.07 2a24 s SER 40 Cb -0.12 -2.58 0.29 0.00 0.21 0.00 0.00 66.02 63.82 2a24 s SER 40 CO 0.27 -0.69 1.56 0.00 0.41 0.00 0.00 173.24 174.79 2a24 h ALA 41 N 6.98 0.84 0.00 1.44 0.00 -1.87 -3.01 119.26 123.64 2a24 h ALA 41 Ca -0.42 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 53.91 2a24 h ALA 41 Cb 1.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2a24 h ALA 41 CO 0.88 0.80 -0.02 1.88 0.00 0.00 0.00 179.25 182.78 2a24 h TYR 42 N 0.00 0.00 -0.52 0.00 -1.99 -1.88 -1.76 116.97 110.82 2a24 h TYR 42 Ca -0.01 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 2a24 h TYR 42 Cb 1.20 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.91 2a24 h TYR 42 CO 0.00 0.02 0.21 0.93 -0.00 0.00 0.00 178.16 179.32 2a24 h GLU 43 N 0.00 0.74 0.00 4.88 5.08 -1.93 -2.89 114.58 120.46 2a24 h GLU 43 Ca -0.00 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2a24 h GLU 43 Cb 0.14 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2a24 h GLU 43 CO 0.00 0.61 -0.48 1.97 -1.00 0.00 0.00 179.01 180.11 2a24 n PHE 44 N -4.35 0.00 -1.17 4.33 -1.74 -0.85 -4.88 117.46 108.80 2a24 n PHE 44 Ca 0.04 -1.28 -0.31 0.00 -0.56 0.00 0.00 57.45 55.34 2a24 n PHE 44 Cb 0.15 -0.22 -0.06 0.00 1.52 0.00 0.00 39.48 40.88 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 -0.98 1.75 -3.53 2.97 4.01 -0.72 -4.23 117.16 116.44 2a24 n TYR 45 Ca 0.17 -2.60 0.05 0.00 -0.16 0.00 0.00 57.90 55.35 2a24 n TYR 45 Cb 0.73 -2.20 -0.01 0.00 -0.31 0.00 0.00 39.34 37.55 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 3.39 -2.20 0.04 -0.72 8.25 -1.26 -3.70 115.22 119.01 2a24 n HIS 46 Ca 0.67 0.43 -0.00 0.00 -0.26 0.00 0.00 57.72 58.55 2a24 n HIS 46 Cb 0.37 -0.65 -0.00 0.00 1.12 0.00 0.00 29.99 30.84 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 -0.63 2.94 1.02 -1.41 0.00 -1.26 -4.66 120.51 116.51 2a24 n ALA 47 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2a24 n ALA 47 Cb 0.16 0.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -3.32 1.27 -1.20 0.00 -0.00 -1.26 -4.03 117.00 108.46 2a24 n LEU 48 Ca -0.00 -0.50 0.08 0.00 -0.00 0.00 0.00 56.01 55.58 2a24 n LEU 48 Cb 0.01 -0.04 0.30 0.00 -0.00 0.00 0.00 43.42 43.70 2a24 n LEU 48 CO 0.00 0.27 0.76 0.47 -0.00 0.00 0.00 177.39 178.90 2a24 n ASP 49 N -0.97 4.44 0.05 1.45 9.92 -1.26 -4.48 116.55 125.70 2a24 n ASP 49 Ca 0.06 -3.00 -0.16 0.00 -0.53 0.00 0.00 54.79 51.16 2a24 n ASP 49 Cb 0.38 -0.59 -0.06 0.00 -0.64 0.00 0.00 41.12 40.20 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 2.45 0.72 -0.87 -2.24 0.02 -1.70 -3.18 113.55 108.75 2a24 h SER 50 Ca 0.00 -0.56 0.02 0.00 -0.84 0.00 0.00 61.79 60.42 2a24 h SER 50 Cb 1.61 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.89 2a24 h SER 50 CO 0.31 1.35 0.57 -0.33 -1.14 0.00 0.00 176.83 177.59 2a24 h GLU 51 N 0.33 1.11 -0.80 3.45 4.39 -1.88 -1.66 114.58 119.52 2a24 h GLU 51 Ca -0.09 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.61 2a24 h GLU 51 Cb 1.59 -0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 29.93 2a24 h GLU 51 CO 0.18 0.73 0.48 -0.97 -1.16 0.00 0.00 179.01 178.27 2a24 h ASN 52 N 1.14 0.74 -0.12 1.42 -0.73 -1.86 0.12 115.58 116.30 2a24 h ASN 52 Ca 0.34 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.51 2a24 h ASN 52 Cb -0.06 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.39 2a24 h ASN 52 CO -0.09 0.47 -0.00 0.24 -0.37 0.00 0.00 177.43 177.67 2a24 h MET 53 N 0.87 0.21 -0.23 6.67 2.86 -1.34 -1.39 114.93 122.60 2a24 h MET 53 Ca 0.36 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2a24 h MET 53 Cb 0.20 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2a24 h MET 53 CO -0.18 0.47 0.13 1.15 1.06 0.00 0.00 176.91 179.54 2a24 h THR 54 N -0.06 1.09 -0.26 2.22 2.02 -0.94 0.20 112.91 117.18 2a24 h THR 54 Ca 0.03 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.00 2a24 h THR 54 Cb 0.37 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2a24 h THR 54 CO 0.01 0.09 0.15 0.11 0.37 0.00 0.00 175.52 176.24 2a24 h LYS 55 N 0.28 0.30 -0.38 6.66 6.56 -0.76 -0.18 116.57 129.04 2a24 h LYS 55 Ca 0.08 -0.02 -0.09 0.00 -1.06 0.00 0.00 60.65 59.56 2a24 h LYS 55 Cb 0.02 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.60 2a24 h LYS 55 CO -0.01 0.20 -0.14 0.77 -2.06 0.00 0.00 179.45 178.21 2a24 h SER 56 N 0.31 0.68 0.12 0.86 0.02 -1.09 -2.01 113.55 112.45 2a24 h SER 56 Ca 0.10 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2a24 h SER 56 Cb -0.01 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2a24 h SER 56 CO -0.04 0.84 -0.06 -0.74 -1.14 0.00 0.00 176.83 175.68 2a24 h HIS 57 N 0.62 -0.15 -0.89 3.45 -0.00 -0.07 0.25 115.15 118.36 2a24 h HIS 57 Ca 0.10 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.49 2a24 h HIS 57 Cb 0.59 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 28.00 2a24 h HIS 57 CO 0.03 0.03 0.59 0.37 -0.00 0.00 0.00 177.93 178.94 2a24 h GLN 58 N -0.31 1.15 -0.29 5.26 4.15 -0.97 -0.95 115.11 123.15 2a24 h GLN 58 Ca -0.02 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 2a24 h GLN 58 Cb 0.25 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2a24 h GLN 58 CO 0.03 0.76 0.01 -0.97 -1.93 0.00 0.00 178.83 176.73 2a24 h ASN 59 N 1.19 0.50 -0.48 -0.69 -1.24 -1.20 -3.15 115.58 110.50 2a24 h ASN 59 Ca 0.33 -0.30 0.05 0.00 0.71 0.00 0.00 56.30 57.09 2a24 h ASN 59 Cb -0.11 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 38.76 2a24 h ASN 59 CO -0.08 0.67 0.21 0.25 -1.29 0.00 0.00 177.43 177.19 2a24 h LEU 60 N 0.30 0.28 -2.89 0.34 5.85 0.01 -1.46 115.31 117.75 2a24 h LEU 60 Ca 0.08 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2a24 h LEU 60 Cb 0.41 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2a24 h LEU 60 CO 0.01 0.19 -0.00 0.00 -0.34 0.00 0.00 178.44 178.31 2a24 n THR 62 N -3.14 0.53 0.00 0.00 -1.04 -0.63 -4.60 114.28 105.41 2a24 n THR 62 Ca -0.03 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.21 2a24 n THR 62 Cb 0.08 0.85 0.00 0.00 -1.82 0.00 0.00 70.33 69.45 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 0.67 1.47 0.00 -2.82 4.76 -0.34 -5.06 118.16 116.84 2a24 n LYS 63 Ca 0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2a24 n LYS 63 Cb 0.38 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 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 3.26 2.89 2.78 0.72 0.00 0.79 -4.95 105.19 110.67 2a24 n GLY 64 Ca 0.00 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 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 0.23 0.01 1.61 0.74 -1.26 0.15 119.66 121.15 2a24 s GLN 65 Ca 0.00 0.16 -0.11 0.00 0.05 0.00 0.00 55.36 55.46 2a24 s GLN 65 Cb 0.00 -0.53 0.01 0.00 1.10 0.00 0.00 33.01 33.59 2a24 s GLN 65 CO 0.00 -0.20 0.22 0.54 -0.55 0.00 0.00 175.29 175.29 2a24 s VAL 66 N 1.39 0.09 -0.24 1.34 0.11 -0.27 -5.00 120.40 117.82 2a24 s VAL 66 Ca -0.05 -0.70 -0.07 0.00 -2.93 0.00 0.00 61.98 58.23 2a24 s VAL 66 Cb -0.13 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 2a24 s VAL 66 CO -0.03 -0.39 0.05 -0.69 -3.33 0.00 0.00 175.10 170.72 2a24 s VAL 67 N -1.86 4.17 -0.08 2.04 1.01 -1.26 -0.33 120.40 124.08 2a24 s VAL 67 Ca -0.10 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 2a24 s VAL 67 Cb -0.04 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 2a24 s VAL 67 CO 0.00 0.35 0.46 -0.44 0.00 0.00 0.00 175.10 175.48 2a24 s SER 68 N 1.57 6.73 1.07 3.32 0.01 0.12 -4.98 113.70 121.54 2a24 s SER 68 Ca 0.06 0.86 -0.12 0.00 1.31 0.00 0.00 55.95 58.06 2a24 s SER 68 Cb -0.15 -2.28 0.23 0.00 0.21 0.00 0.00 66.02 64.03 2a24 s SER 68 CO 0.03 0.08 1.06 -0.83 0.41 0.00 0.00 173.24 173.99 2a24 s GLY 69 N 0.18 1.56 0.06 3.44 0.00 -1.26 -2.05 107.32 109.24 2a24 s GLY 69 Ca 0.25 -0.23 -0.31 0.00 0.00 0.00 0.00 44.72 44.44 2a24 s GLY 69 CO 0.11 0.43 1.91 -1.06 0.00 0.00 0.00 173.10 174.49 2a24 n GLN 70 N -4.52 2.76 -4.54 2.90 6.02 -1.26 -4.51 117.38 114.24 2a24 n GLN 70 Ca 0.04 1.01 -0.25 0.00 -0.01 0.00 0.00 57.00 57.79 2a24 n GLN 70 Cb 0.56 -2.93 -0.11 0.00 1.02 0.00 0.00 30.24 28.78 2a24 n GLN 70 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2a24 s TYR 71 N 3.75 2.28 -0.98 1.08 -0.85 -0.80 -4.86 117.35 116.97 2a24 s TYR 71 Ca 0.87 -0.75 -0.21 0.00 -0.52 0.00 0.00 57.07 56.45 2a24 s TYR 71 Cb -0.48 -1.53 0.09 0.00 0.38 0.00 0.00 41.96 40.41 2a24 s TYR 71 CO 0.41 0.30 1.31 1.03 -1.52 0.00 0.00 175.55 177.09 2a24 s ARG 72 N -3.76 3.60 -0.07 -3.49 0.52 -1.26 -2.60 118.95 111.89 2a24 s ARG 72 Ca 0.35 -1.42 -0.30 0.00 -0.52 0.00 0.00 55.73 53.84 2a24 s ARG 72 Cb 0.08 -5.16 -0.04 0.00 0.52 0.00 0.00 34.95 30.35 2a24 s ARG 72 CO 0.17 -2.01 1.40 1.41 0.02 0.00 0.00 175.30 176.28 2a24 s MET 73 N 3.93 4.25 -0.04 3.54 1.75 0.66 -4.54 119.30 128.85 2a24 s MET 73 Ca 0.40 1.89 -0.30 0.00 -1.25 0.00 0.00 55.69 56.43 2a24 s MET 73 Cb -0.02 -3.73 -0.05 0.00 2.84 0.00 0.00 34.83 33.87 2a24 s MET 73 CO -0.10 -0.67 1.41 -1.17 -0.65 0.00 0.00 175.02 173.84 2a24 s LEU 74 N 3.12 4.29 0.00 4.11 2.96 -1.25 -0.14 118.68 131.78 2a24 s LEU 74 Ca 0.62 2.05 -0.05 0.00 -0.22 0.00 0.00 54.13 56.54 2a24 s LEU 74 Cb -0.28 -3.55 0.17 0.00 0.50 0.00 0.00 46.19 43.02 2a24 s LEU 74 CO 0.23 -0.75 1.09 0.00 -1.32 0.00 0.00 176.35 175.60 2a24 n ALA 75 N 5.81 -0.30 1.99 5.97 0.00 0.15 -4.92 120.51 129.21 2a24 n ALA 75 Ca 0.14 -1.90 0.06 0.00 0.00 0.00 0.00 53.44 51.74 2a24 n ALA 75 Cb 0.44 0.21 0.36 0.00 0.00 0.00 0.00 19.45 20.46 2a24 n ALA 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2a24 n LYS 76 N -3.12 1.01 -1.15 0.00 4.81 -0.02 -3.18 118.16 116.50 2a24 n LYS 76 Ca 0.17 -0.01 0.04 0.00 -0.87 0.00 0.00 58.31 57.64 2a24 n LYS 76 Cb 0.59 -1.19 0.06 0.00 0.02 0.00 0.00 35.03 34.50 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 -0.68 0.00 -2.31 5.64 1.44 -1.26 -4.98 115.22 113.07 2a24 n HIS 77 Ca 0.09 -0.65 -0.12 0.00 -2.01 0.00 0.00 57.72 55.03 2a24 n HIS 77 Cb 0.04 -0.16 -0.00 0.00 0.12 0.00 0.00 29.99 30.00 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 0.06 -0.10 3.91 -1.39 0.00 -1.19 -5.02 105.19 101.45 2a24 n GLY 78 Ca 0.08 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.52 1.41 -0.42 -0.02 0.00 -1.26 -4.87 107.32 99.64 2a24 s GLY 79 Ca 0.03 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.54 2a24 s GLY 79 CO 0.04 -1.26 0.16 -0.19 0.00 0.00 0.00 173.10 171.84 2a24 s TYR 80 N -1.95 3.14 -0.15 1.90 2.02 -0.24 0.29 117.35 122.36 2a24 s TYR 80 Ca 0.33 -2.88 -0.29 0.00 -0.37 0.00 0.00 57.07 53.86 2a24 s TYR 80 Cb -0.09 -2.65 -0.01 0.00 -0.40 0.00 0.00 41.96 38.81 2a24 s TYR 80 CO 0.27 -0.84 1.09 0.08 -1.57 0.00 0.00 175.55 174.58 2a24 s VAL 81 N 0.45 4.58 -1.04 0.71 1.01 0.80 0.60 120.40 127.52 2a24 s VAL 81 Ca 0.14 1.88 -0.22 0.00 0.00 0.00 0.00 61.98 63.78 2a24 s VAL 81 Cb -0.22 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.00 2a24 s VAL 81 CO -0.06 -0.08 1.46 0.26 0.00 0.00 0.00 175.10 176.68 2a24 s TRP 82 N 2.69 2.58 0.11 5.22 0.52 -0.80 -0.24 118.94 129.01 2a24 s TRP 82 Ca 0.49 -0.94 0.10 0.00 0.02 0.00 0.00 56.10 55.77 2a24 s TRP 82 Cb -0.19 -4.69 -0.04 0.00 -1.15 0.00 0.00 33.47 27.41 2a24 s TRP 82 CO 0.14 -1.91 -0.25 -0.51 0.02 0.00 0.00 176.95 174.44 2a24 s LEU 83 N 4.80 2.29 -0.01 2.99 1.02 -1.07 -2.91 118.68 125.78 2a24 s LEU 83 Ca 0.46 -0.70 -0.02 0.00 0.02 0.00 0.00 54.13 53.89 2a24 s LEU 83 Cb 0.00 -1.13 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 2a24 s LEU 83 CO -0.08 0.16 0.14 -0.70 0.02 0.00 0.00 176.35 175.88 2a24 s GLU 84 N -1.88 3.29 -0.03 1.70 2.12 -1.01 -1.90 118.70 120.99 2a24 s GLU 84 Ca 0.12 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.06 2a24 s GLU 84 Cb -0.10 -3.00 0.03 0.00 0.26 0.00 0.00 34.13 31.31 2a24 s GLU 84 CO 0.05 0.67 0.05 0.99 -0.54 0.00 0.00 175.26 176.48 2a24 s THR 85 N -1.26 -0.05 -0.21 -1.70 2.01 -0.87 0.54 115.64 114.11 2a24 s THR 85 Ca 0.25 0.18 -0.07 0.00 0.31 0.00 0.00 61.69 62.35 2a24 s THR 85 Cb -0.12 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 2a24 s THR 85 CO 0.16 0.07 0.06 -1.58 -0.69 0.00 0.00 174.62 172.64 2a24 s GLN 86 N 0.93 3.82 -0.06 4.92 0.74 -0.21 0.13 119.66 129.93 2a24 s GLN 86 Ca -0.08 -0.42 0.01 0.00 0.05 0.00 0.00 55.36 54.92 2a24 s GLN 86 Cb -0.11 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.74 2a24 s GLN 86 CO -0.03 0.08 -0.05 0.20 -0.55 0.00 0.00 175.29 174.94 2a24 s GLY 87 N 0.88 1.75 -0.17 2.59 0.00 0.55 0.22 107.32 113.15 2a24 s GLY 87 Ca 0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.82 2a24 s GLY 87 CO 0.02 -0.69 0.06 -1.59 0.00 0.00 0.00 173.10 170.91 2a24 s THR 88 N -0.87 0.20 -0.27 0.90 2.01 0.66 -1.11 115.64 117.15 2a24 s THR 88 Ca 0.14 -0.28 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 2a24 s THR 88 Cb -0.11 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.66 2a24 s THR 88 CO 0.03 -0.19 0.94 -0.69 -0.69 0.00 0.00 174.62 174.02 2a24 s VAL 89 N 2.01 4.71 0.10 3.82 1.01 0.12 0.19 120.40 132.36 2a24 s VAL 89 Ca 0.01 1.66 -0.17 0.00 0.00 0.00 0.00 61.98 63.48 2a24 s VAL 89 Cb -0.16 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 2a24 s VAL 89 CO -0.08 -0.23 0.56 -0.51 0.00 0.00 0.00 175.10 174.84 2a24 s ILE 90 N 3.15 4.79 0.08 2.22 1.10 -0.27 -4.90 121.20 127.37 2a24 s ILE 90 Ca 0.39 1.08 0.03 0.00 -0.51 0.00 0.00 60.65 61.64 2a24 s ILE 90 Cb -0.14 -3.83 -0.04 0.00 0.15 0.00 0.00 42.46 38.59 2a24 s ILE 90 CO 0.10 0.44 0.06 -0.31 -2.11 0.00 0.00 174.94 173.12 2a24 s TYR 91 N -1.24 3.13 -0.09 3.50 1.51 -1.26 -0.23 117.35 122.67 2a24 s TYR 91 Ca 0.32 0.05 -0.30 0.00 -1.01 0.00 0.00 57.07 56.14 2a24 s TYR 91 Cb -0.18 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 2a24 s TYR 91 CO 0.19 0.51 1.00 1.21 -1.11 0.00 0.00 175.55 177.35 2a24 s ASN 92 N -2.33 7.25 0.00 2.29 3.84 0.17 -4.78 114.94 121.38 2a24 s ASN 92 Ca 0.28 1.54 0.25 0.00 0.21 0.00 0.00 52.86 55.14 2a24 s ASN 92 Cb -0.12 -2.56 1.48 0.00 -0.55 0.00 0.00 41.25 39.50 2a24 s ASN 92 CO 0.21 -0.42 1.92 -0.81 -2.79 0.00 0.00 177.10 175.20 2a24 n PRO 93 N 4.88 0.95 -0.09 0.43 -0.04 -1.26 -1.21 135.00 138.66 2a24 n PRO 93 Ca 0.08 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.44 2a24 n PRO 93 Cb 0.49 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 2a24 n PRO 93 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2a24 n ARG 94 N -0.91 0.53 0.00 0.54 0.63 -1.26 -4.63 116.66 111.56 2a24 n ARG 94 Ca 0.19 0.26 0.12 0.00 -0.92 0.00 0.00 57.85 57.49 2a24 n ARG 94 Cb 0.09 -1.47 0.14 0.00 0.45 0.00 0.00 32.46 31.67 2a24 n ARG 94 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2a24 n ASN 95 N -4.46 1.85 -3.13 6.15 4.13 -1.26 -5.01 115.26 113.54 2a24 n ASN 95 Ca -0.17 -1.41 -0.07 0.00 1.68 0.00 0.00 54.58 54.62 2a24 n ASN 95 Cb 0.52 0.30 0.00 0.00 -1.54 0.00 0.00 39.78 39.06 2a24 n ASN 95 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2a24 n LEU 96 N -0.00 -6.22 -3.57 3.41 4.77 -0.35 -5.04 117.00 109.99 2a24 n LEU 96 Ca 0.11 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 2a24 n LEU 96 Cb 0.45 -3.04 -0.04 0.00 -2.33 0.00 0.00 43.42 38.45 2a24 n LEU 96 CO 0.25 -1.14 0.24 0.00 -1.33 0.00 0.00 177.39 175.41 2a24 s GLN 97 N -3.15 1.11 0.01 3.23 1.03 -1.20 -4.92 119.66 115.77 2a24 s GLN 97 Ca 0.07 -0.55 -0.31 0.00 0.04 0.00 0.00 55.36 54.61 2a24 s GLN 97 Cb -0.02 0.50 -0.10 0.00 0.03 0.00 0.00 33.01 33.42 2a24 s GLN 97 CO 0.78 -0.44 1.95 -2.30 -2.54 0.00 0.00 175.29 172.74 2a24 n PRO 98 N -0.11 2.70 0.00 9.60 -0.02 -1.26 0.42 135.00 146.32 2a24 n PRO 98 Ca -0.17 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2a24 n PRO 98 Cb 0.63 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 2a24 n PRO 98 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2a24 n GLN 99 N 7.24 0.00 -3.92 -0.52 -0.06 0.69 -4.82 117.38 115.99 2a24 n GLN 99 Ca 0.21 0.07 -0.10 0.00 -2.00 0.00 0.00 57.00 55.18 2a24 n GLN 99 Cb 0.38 -0.40 -0.11 0.00 -4.06 0.00 0.00 30.24 26.05 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 -1.22 5.13 -0.52 0.00 1.01 0.12 -1.11 121.20 124.60 2a24 s ILE 101 Ca -0.13 0.82 -0.19 0.00 0.00 0.00 0.00 60.65 61.15 2a24 s ILE 101 Cb -0.08 -3.79 0.07 0.00 0.01 0.00 0.00 42.46 38.67 2a24 s ILE 101 CO 0.00 0.16 0.62 -0.04 0.00 0.00 0.00 174.94 175.69 2a24 s MET 102 N 1.82 3.09 -0.30 2.79 -1.94 0.13 -1.64 119.30 123.25 2a24 s MET 102 Ca 0.21 -1.02 -0.10 0.00 -1.71 0.00 0.00 55.69 53.07 2a24 s MET 102 Cb -0.15 -4.14 -0.02 0.00 2.01 0.00 0.00 34.83 32.53 2a24 s MET 102 CO 0.09 -1.28 0.16 0.00 -0.01 0.00 0.00 175.02 173.98 2a24 s VAL 104 N 1.64 5.07 0.03 0.00 1.01 0.13 -0.02 120.40 128.27 2a24 s VAL 104 Ca 0.05 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 2a24 s VAL 104 Cb -0.17 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 2a24 s VAL 104 CO 0.07 -0.46 0.68 0.21 0.00 0.00 0.00 175.10 175.60 2a24 s ASN 105 N 1.90 7.12 -0.23 3.32 3.84 0.10 -1.04 114.94 129.95 2a24 s ASN 105 Ca 0.12 1.33 -0.03 0.00 0.21 0.00 0.00 52.86 54.49 2a24 s ASN 105 Cb -0.17 -2.42 0.01 0.00 -0.55 0.00 0.00 41.25 38.11 2a24 s ASN 105 CO 0.13 0.08 -0.06 -0.31 -2.79 0.00 0.00 177.10 174.15 2a24 s TYR 106 N -0.25 2.98 -0.23 0.43 2.02 0.19 -1.08 117.35 121.42 2a24 s TYR 106 Ca 0.35 -1.25 -0.29 0.00 -0.37 0.00 0.00 57.07 55.51 2a24 s TYR 106 Cb -0.20 -2.07 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 2a24 s TYR 106 CO 0.20 -0.65 1.13 0.08 -1.57 0.00 0.00 175.55 174.74 2a24 s VAL 107 N 1.40 4.51 0.06 0.71 1.01 -0.98 -2.40 120.40 124.71 2a24 s VAL 107 Ca 0.04 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.82 2a24 s VAL 107 Cb -0.15 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2a24 s VAL 107 CO -0.05 -0.23 0.00 0.18 0.00 0.00 0.00 175.10 175.00 2a24 n LEU 108 N 6.57 0.31 0.00 3.92 4.77 -1.26 -4.60 117.00 126.72 2a24 n LEU 108 Ca 0.13 0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.99 2a24 n LEU 108 Cb 0.46 -0.05 0.10 0.00 -2.33 0.00 0.00 43.42 41.59 2a24 n LEU 108 CO 0.55 -0.61 0.48 -1.20 -1.33 0.00 0.00 177.39 175.27 2a24 n SER 109 N -2.91 1.71 -1.29 -1.43 7.64 -1.15 -5.11 113.62 111.09 2a24 n SER 109 Ca 0.00 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.54 2a24 n SER 109 Cb 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 -2.60 2.21 -3.65 1.43 0.00 -1.26 -4.58 120.64 112.17 2a24 n GLU 110 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.97 2a24 n GLU 110 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.96 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 1.16 5.36 -2.20 3.84 1.01 -1.26 -1.91 121.20 127.21 2a24 s ILE 111 Ca 0.00 0.29 0.30 0.00 0.00 0.00 0.00 60.65 61.24 2a24 s ILE 111 Cb 0.00 -3.53 0.77 0.00 0.01 0.00 0.00 42.46 39.71 2a24 s ILE 111 CO 0.00 0.39 2.04 1.21 0.00 0.00 0.00 174.94 178.58