#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 0.08 -0.10 -0.18 -4.23 -1.26 -3.28 115.64 106.67 2a24 s THR 7 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 2a24 s THR 7 Cb 0.00 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.38 2a24 s THR 7 CO 0.00 0.00 0.25 0.12 -0.54 0.00 0.00 174.62 174.45 2a24 s PHE 8 N -3.76 -0.33 -0.37 3.99 5.36 -0.04 -4.79 117.98 118.04 2a24 s PHE 8 Ca 0.39 0.78 -0.15 0.00 -0.96 0.00 0.00 56.93 56.99 2a24 s PHE 8 Cb 0.05 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 2a24 s PHE 8 CO 0.19 -0.22 0.33 -1.17 -1.46 0.00 0.00 175.22 172.88 2a24 s LEU 9 N 1.11 4.72 -0.57 6.12 1.98 -1.26 0.16 118.68 130.94 2a24 s LEU 9 Ca -0.08 -0.54 -0.09 0.00 -2.89 0.00 0.00 54.13 50.53 2a24 s LEU 9 Cb -0.09 -2.24 0.15 0.00 0.66 0.00 0.00 46.19 44.66 2a24 s LEU 9 CO -0.07 -0.38 0.44 -0.55 -1.89 0.00 0.00 176.35 173.90 2a24 s SER 10 N 1.73 5.81 -0.22 3.68 0.15 0.27 -1.50 113.70 123.63 2a24 s SER 10 Ca 0.08 -2.23 -0.14 0.00 0.70 0.00 0.00 55.95 54.37 2a24 s SER 10 Cb -0.18 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 2a24 s SER 10 CO 0.11 -0.62 0.30 -0.60 1.20 0.00 0.00 173.24 173.64 2a24 s ARG 11 N 0.88 4.13 0.22 5.44 3.00 -0.76 0.34 118.95 132.19 2a24 s ARG 11 Ca 0.10 0.00 0.11 0.00 -1.00 0.00 0.00 55.73 54.94 2a24 s ARG 11 Cb -0.22 -3.54 -0.05 0.00 0.00 0.00 0.00 34.95 31.14 2a24 s ARG 11 CO -0.03 0.00 -0.21 -1.01 0.00 0.00 0.00 175.30 174.05 2a24 s HIS 12 N 1.21 2.17 0.06 5.12 3.76 0.46 -2.40 115.29 125.68 2a24 s HIS 12 Ca 0.14 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.51 2a24 s HIS 12 Cb -0.14 -1.03 0.03 0.00 1.11 0.00 0.00 32.58 32.55 2a24 s HIS 12 CO 0.06 0.53 0.37 -1.12 -0.85 0.00 0.00 174.74 173.73 2a24 s SER 13 N -2.97 -0.20 1.72 1.40 0.01 -0.86 -2.97 113.70 109.83 2a24 s SER 13 Ca 0.23 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2a24 s SER 13 Cb -0.06 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2a24 s SER 13 CO 0.11 -0.70 0.00 0.23 0.41 0.00 0.00 173.24 173.29 2a24 n MET 14 N 0.33 0.00 -0.47 12.44 2.81 -1.26 -2.22 117.12 128.75 2a24 n MET 14 Ca -0.18 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.66 2a24 n MET 14 Cb 0.61 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 33.14 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 10.87 4.76 -0.93 7.83 5.68 -1.26 -4.74 116.55 138.77 2a24 n ASP 15 Ca 0.00 -2.49 -0.12 0.00 -0.50 0.00 0.00 54.79 51.68 2a24 n ASP 15 Cb 0.00 -0.90 -0.05 0.00 -1.14 0.00 0.00 41.12 39.03 2a24 n ASP 15 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 2a24 n MET 16 N 0.80 -1.54 -2.15 0.11 0.00 -0.94 -4.88 117.12 108.52 2a24 n MET 16 Ca 0.10 0.91 -0.32 0.00 -0.00 0.00 0.00 57.70 58.38 2a24 n MET 16 Cb 0.58 -5.26 -0.01 0.00 0.00 0.00 0.00 33.22 28.54 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 -2.97 3.57 0.17 2.12 -2.85 -1.05 -4.29 119.74 114.45 2a24 s LYS 17 Ca 0.00 1.06 -0.31 0.00 -1.00 0.00 0.00 55.97 55.73 2a24 s LYS 17 Cb 0.00 -2.08 -0.09 0.00 -2.06 0.00 0.00 37.83 33.61 2a24 s LYS 17 CO 0.00 -0.59 1.36 -0.06 0.10 0.00 0.00 175.35 176.16 2a24 s PHE 18 N -2.60 3.22 -0.03 1.78 0.08 -1.11 -2.03 117.98 117.28 2a24 s PHE 18 Ca 0.61 1.08 0.01 0.00 0.12 0.00 0.00 56.93 58.75 2a24 s PHE 18 Cb -0.13 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.62 2a24 s PHE 18 CO 0.37 -2.21 -0.01 2.41 -0.10 0.00 0.00 175.22 175.67 2a24 n THR 19 N 3.12 0.20 -3.64 0.64 -1.04 -1.01 -0.58 114.28 111.97 2a24 n THR 19 Ca 0.08 -0.10 -0.06 0.00 -2.04 0.00 0.00 64.05 61.94 2a24 n THR 19 Cb 0.42 -0.76 -0.07 0.00 -1.82 0.00 0.00 70.33 68.10 2a24 n THR 19 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2a24 s TYR 20 N -2.07 -0.81 0.06 -1.42 5.04 -1.22 -4.91 117.35 112.01 2a24 s TYR 20 Ca -0.03 1.66 -0.05 0.00 -2.44 0.00 0.00 57.07 56.21 2a24 s TYR 20 Cb 0.01 0.48 -0.02 0.00 0.35 0.00 0.00 41.96 42.78 2a24 s TYR 20 CO 0.10 -0.40 0.08 0.00 -1.34 0.00 0.00 175.55 173.99 2a24 s ASP 22 N -2.57 6.60 0.00 0.00 -1.08 -0.56 -4.89 116.67 114.17 2a24 s ASP 22 Ca 0.01 2.64 0.14 0.00 -0.52 0.00 0.00 52.55 54.83 2a24 s ASP 22 Cb 0.03 -2.64 0.62 0.00 -1.46 0.00 0.00 42.92 39.47 2a24 s ASP 22 CO -0.08 -0.65 1.46 -0.90 0.52 0.00 0.00 175.17 175.53 2a24 n ASP 23 N 0.52 0.00 0.10 -0.34 5.75 -1.26 -2.32 116.55 119.00 2a24 n ASP 23 Ca 0.02 0.50 0.10 0.00 -0.01 0.00 0.00 54.79 55.40 2a24 n ASP 23 Cb 0.43 -0.50 0.45 0.00 -1.03 0.00 0.00 41.12 40.47 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 -1.50 0.14 0.27 0.11 1.74 -1.26 -2.33 116.66 113.84 2a24 n ARG 24 Ca 0.04 0.41 0.14 0.00 -0.77 0.00 0.00 57.85 57.66 2a24 n ARG 24 Cb 0.17 -1.79 0.78 0.00 -1.02 0.00 0.00 32.46 30.60 2a24 n ARG 24 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2a24 h ILE 25 N 0.00 0.47 0.00 0.55 6.09 -1.76 -1.34 117.51 121.52 2a24 h ILE 25 Ca 0.00 -0.44 -0.03 0.00 -1.37 0.00 0.00 64.86 63.02 2a24 h ILE 25 Cb 0.30 1.30 -0.00 0.00 0.47 0.00 0.00 36.82 38.89 2a24 h ILE 25 CO 0.00 0.09 -0.14 0.74 -3.07 0.00 0.00 178.15 175.77 2a24 h THR 26 N 0.00 0.52 -0.01 2.19 2.02 -1.49 0.18 112.91 116.32 2a24 h THR 26 Ca -0.00 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2a24 h THR 26 Cb 0.29 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2a24 h THR 26 CO 0.01 0.14 -0.33 -0.62 0.37 0.00 0.00 175.52 175.09 2a24 n GLU 27 N -3.53 0.84 -0.01 6.66 1.02 -0.51 -2.83 120.64 122.27 2a24 n GLU 27 Ca -0.01 -0.55 -0.02 0.00 -0.02 0.00 0.00 57.16 56.56 2a24 n GLU 27 Cb 0.28 -1.49 -0.01 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 -0.60 0.66 0.06 -4.62 4.77 -0.49 -4.80 117.00 111.98 2a24 n LEU 28 Ca 0.11 0.10 0.05 0.00 -0.03 0.00 0.00 56.01 56.24 2a24 n LEU 28 Cb 0.37 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2a24 n LEU 28 CO 0.27 -0.49 -0.21 -0.38 -1.33 0.00 0.00 177.39 175.25 2a24 n ILE 29 N -3.14 0.92 -0.63 -0.08 2.08 0.53 -4.89 119.36 114.14 2a24 n ILE 29 Ca -0.03 -0.63 0.00 0.00 0.56 0.00 0.00 62.75 62.65 2a24 n ILE 29 Cb 0.12 -0.55 0.00 0.00 -0.75 0.00 0.00 39.64 38.47 2a24 n ILE 29 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2a24 n GLY 30 N 1.31 0.74 3.76 7.39 0.00 -0.94 -0.53 105.19 116.92 2a24 n GLY 30 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.51 3.49 0.34 1.61 2.02 -1.26 -4.88 117.35 116.16 2a24 s TYR 31 Ca 0.00 0.54 -0.26 0.00 -0.37 0.00 0.00 57.07 56.98 2a24 s TYR 31 Cb 0.00 -2.22 -0.09 0.00 -0.40 0.00 0.00 41.96 39.24 2a24 s TYR 31 CO 0.00 0.37 1.03 -1.01 -1.57 0.00 0.00 175.55 174.37 2a24 s HIS 32 N 0.07 3.49 0.27 2.71 3.76 -1.26 -3.48 115.29 120.85 2a24 s HIS 32 Ca 0.14 1.71 -0.00 0.00 -0.15 0.00 0.00 55.06 56.76 2a24 s HIS 32 Cb -0.13 -3.11 0.57 0.00 1.11 0.00 0.00 32.58 31.03 2a24 s HIS 32 CO 0.03 -0.34 1.75 -1.35 -0.85 0.00 0.00 174.74 173.97 2a24 h PRO 33 N 3.09 0.55 0.00 8.40 0.11 -1.90 0.68 132.00 142.93 2a24 h PRO 33 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2a24 h PRO 33 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2a24 h PRO 33 CO 0.64 0.37 -0.14 1.05 -0.21 0.00 0.00 178.00 179.72 2a24 h GLU 34 N 0.57 0.00 -0.00 1.05 9.09 -1.92 -0.34 114.58 123.02 2a24 h GLU 34 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 2a24 h GLU 34 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 2a24 h GLU 34 CO -0.40 0.14 -0.34 0.39 0.05 0.00 0.00 179.01 178.85 2a24 n GLU 35 N -3.35 0.11 -0.13 1.06 -0.58 0.16 -4.09 120.64 113.82 2a24 n GLU 35 Ca -0.00 -0.05 -0.24 0.00 -0.42 0.00 0.00 57.16 56.45 2a24 n GLU 35 Cb 0.35 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.61 2a24 n GLU 35 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2a24 n LEU 36 N -1.40 2.49 -4.74 -4.62 4.77 -0.61 -4.87 117.00 108.01 2a24 n LEU 36 Ca 0.07 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.72 2a24 n LEU 36 Cb 0.33 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 2a24 n LEU 36 CO 0.32 0.77 1.13 -1.48 -1.33 0.00 0.00 177.39 176.79 2a24 s LEU 37 N -6.98 4.38 0.00 2.23 0.05 -0.24 -2.69 118.68 115.43 2a24 s LEU 37 Ca -0.37 2.71 0.00 0.00 0.05 0.00 0.00 54.13 56.52 2a24 s LEU 37 Cb 0.12 -3.62 0.00 0.00 -2.05 0.00 0.00 46.19 40.63 2a24 s LEU 37 CO 0.54 -0.73 0.00 0.61 -0.55 0.00 0.00 176.35 176.22 2a24 n GLY 38 N 2.23 0.32 3.52 -3.48 0.00 0.25 -4.94 105.19 103.09 2a24 n GLY 38 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.92 1.77 -0.01 1.61 1.70 -1.10 -4.95 118.95 117.05 2a24 s ARG 39 Ca 0.00 -1.92 -0.30 0.00 -0.47 0.00 0.00 55.73 53.04 2a24 s ARG 39 Cb 0.00 -1.54 -0.04 0.00 -0.57 0.00 0.00 34.95 32.80 2a24 s ARG 39 CO 0.00 0.09 1.10 0.45 -1.08 0.00 0.00 175.30 175.86 2a24 s SER 40 N -3.58 7.18 0.34 -2.89 0.15 -1.26 -2.76 113.70 110.89 2a24 s SER 40 Ca 0.32 1.78 0.18 0.00 0.70 0.00 0.00 55.95 58.94 2a24 s SER 40 Cb 0.04 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 62.02 2a24 s SER 40 CO 0.16 -0.43 1.54 0.00 1.20 0.00 0.00 173.24 175.70 2a24 h ALA 41 N 7.01 0.80 0.00 5.45 0.00 -1.90 -3.23 119.26 127.39 2a24 h ALA 41 Ca -0.38 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2a24 h ALA 41 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2a24 h ALA 41 CO 0.82 0.41 0.00 0.66 0.00 0.00 0.00 179.25 181.14 2a24 n TYR 42 N -3.21 0.00 0.27 0.00 4.01 -1.26 -1.16 117.16 115.81 2a24 n TYR 42 Ca 0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 2a24 n TYR 42 Cb 0.64 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.76 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 -3.36 114.58 112.92 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 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2a24 h GLU 43 CO 0.00 0.00 -0.07 1.97 -1.16 0.00 0.00 179.01 179.75 2a24 n PHE 44 N -2.57 0.00 -2.78 4.33 1.16 -0.87 -5.01 117.46 111.71 2a24 n PHE 44 Ca 0.02 -0.02 -0.43 0.00 -1.87 0.00 0.00 57.45 55.15 2a24 n PHE 44 Cb 0.51 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.34 2a24 n PHE 44 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2a24 s TYR 45 N -0.05 2.77 0.06 2.97 5.04 -0.31 -4.04 117.35 123.78 2a24 s TYR 45 Ca 0.00 -0.89 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 2a24 s TYR 45 Cb 0.00 -4.42 0.00 0.00 0.35 0.00 0.00 41.96 37.89 2a24 s TYR 45 CO 0.00 -1.70 0.00 0.72 -1.34 0.00 0.00 175.55 173.23 2a24 n HIS 46 N 7.72 -1.93 0.04 4.97 8.25 -1.25 -4.55 115.22 128.46 2a24 n HIS 46 Ca 0.16 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 2a24 n HIS 46 Cb 0.48 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.70 3.00 -0.01 -1.41 0.00 -1.26 -4.79 120.51 115.33 2a24 n ALA 47 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2a24 n ALA 47 Cb 0.11 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.87 0.00 -2.04 0.00 -0.00 -1.26 -4.48 117.00 106.35 2a24 n LEU 48 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 2a24 n LEU 48 Cb 0.06 0.03 0.31 0.00 -0.00 0.00 0.00 43.42 43.82 2a24 n LEU 48 CO 0.00 0.03 1.05 -0.90 -0.00 0.00 0.00 177.39 177.58 2a24 n ASP 49 N -1.89 4.91 -0.02 1.45 5.75 -1.26 -4.40 116.55 121.09 2a24 n ASP 49 Ca -0.04 -3.22 -0.10 0.00 -0.01 0.00 0.00 54.79 51.41 2a24 n ASP 49 Cb 0.32 -0.75 0.04 0.00 -1.03 0.00 0.00 41.12 39.69 2a24 n ASP 49 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2a24 h SER 50 N 2.72 0.70 -0.35 -1.12 0.02 -1.80 -3.07 113.55 110.66 2a24 h SER 50 Ca 0.27 -0.37 0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2a24 h SER 50 Cb 2.37 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 64.70 2a24 h SER 50 CO 0.76 1.10 0.23 -0.08 -1.14 0.00 0.00 176.83 177.70 2a24 h GLU 51 N 0.49 0.31 -0.28 3.45 4.22 -1.93 0.16 114.58 120.99 2a24 h GLU 51 Ca 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 2a24 h GLU 51 Cb 1.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2a24 h GLU 51 CO 0.11 0.20 0.09 -0.91 -2.18 0.00 0.00 179.01 176.32 2a24 h ASN 52 N 0.32 0.35 0.41 1.04 4.21 -1.86 -0.96 115.58 119.09 2a24 h ASN 52 Ca 0.15 -0.03 -0.27 0.00 1.21 0.00 0.00 56.30 57.35 2a24 h ASN 52 Cb 0.19 -0.09 0.01 0.00 -1.12 0.00 0.00 38.32 37.31 2a24 h ASN 52 CO -0.03 0.34 -1.18 -0.03 -1.29 0.00 0.00 177.43 175.24 2a24 h MET 53 N 0.39 0.41 -0.26 0.81 4.05 -1.08 -2.57 114.93 116.68 2a24 h MET 53 Ca 0.10 -0.57 -0.04 0.00 -0.28 0.00 0.00 59.70 58.90 2a24 h MET 53 Cb 0.11 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 2a24 h MET 53 CO -0.01 1.24 -0.01 1.15 0.23 0.00 0.00 176.91 179.51 2a24 h THR 54 N 0.17 1.26 -0.31 -0.77 2.02 -0.88 0.98 112.91 115.38 2a24 h THR 54 Ca -0.14 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 2a24 h THR 54 Cb 1.86 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 2a24 h THR 54 CO 0.21 0.30 0.09 0.11 0.37 0.00 0.00 175.52 176.60 2a24 h LYS 55 N 0.25 0.49 -0.28 6.66 6.56 -1.28 -2.40 116.57 126.56 2a24 h LYS 55 Ca 0.07 -0.11 -0.05 0.00 -1.06 0.00 0.00 60.65 59.51 2a24 h LYS 55 Cb 0.44 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.01 2a24 h LYS 55 CO 0.02 0.54 -0.03 0.77 -2.06 0.00 0.00 179.45 178.68 2a24 h SER 56 N 0.35 0.40 -0.91 0.86 0.02 -1.41 -2.08 113.55 110.78 2a24 h SER 56 Ca 0.10 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2a24 h SER 56 Cb 0.26 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 2a24 h SER 56 CO -0.00 0.49 0.58 -0.74 -1.14 0.00 0.00 176.83 176.02 2a24 h HIS 57 N 0.41 1.17 -0.02 3.45 -0.00 -0.33 0.43 115.15 120.27 2a24 h HIS 57 Ca 0.09 0.01 -0.25 0.00 -0.00 0.00 0.00 60.37 60.23 2a24 h HIS 57 Cb 0.33 -0.39 0.01 0.00 -0.00 0.00 0.00 27.41 27.36 2a24 h HIS 57 CO 0.01 0.76 -0.97 1.96 -0.00 0.00 0.00 177.93 179.69 2a24 h GLN 58 N 1.25 0.60 -0.01 5.26 1.08 -1.02 -3.20 115.11 119.07 2a24 h GLN 58 Ca 0.33 -0.62 -0.14 0.00 -1.45 0.00 0.00 58.65 56.77 2a24 h GLN 58 Cb -0.10 0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2a24 h GLN 58 CO -0.07 1.23 -0.52 -0.97 -0.95 0.00 0.00 178.83 177.55 2a24 h ASN 59 N 0.35 0.48 -0.81 1.46 -0.73 -1.13 -3.32 115.58 111.87 2a24 h ASN 59 Ca -0.10 -0.75 0.07 0.00 1.87 0.00 0.00 56.30 57.39 2a24 h ASN 59 Cb 1.61 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 40.00 2a24 h ASN 59 CO 0.18 1.16 0.53 0.25 -0.37 0.00 0.00 177.43 179.19 2a24 h LEU 60 N -0.16 0.75 -1.70 0.34 5.85 -0.26 0.76 115.31 120.90 2a24 h LEU 60 Ca -0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2a24 h LEU 60 Cb 1.23 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2a24 h LEU 60 CO 0.10 0.47 0.04 0.00 -0.34 0.00 0.00 178.44 178.72 2a24 n THR 62 N -4.44 1.45 -0.04 0.00 -1.04 -0.56 -4.35 114.28 105.29 2a24 n THR 62 Ca -0.00 -0.78 -0.14 0.00 -2.04 0.00 0.00 64.05 61.08 2a24 n THR 62 Cb 0.13 -0.85 -0.12 0.00 -1.82 0.00 0.00 70.33 67.68 2a24 n THR 62 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2a24 h LYS 63 N 0.00 0.06 0.00 -2.82 3.11 -0.46 -3.49 116.57 112.97 2a24 h LYS 63 Ca -0.30 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.47 2a24 h LYS 63 Cb 1.95 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 33.20 2a24 h LYS 63 CO 0.06 0.86 0.00 0.41 -2.81 0.00 0.00 179.45 177.97 2a24 n GLY 64 N 1.11 2.32 2.73 5.01 0.00 0.12 -4.97 105.19 111.51 2a24 n GLY 64 Ca -0.10 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 0.37 0.06 1.61 0.74 -1.25 0.02 119.66 121.20 2a24 s GLN 65 Ca 0.00 0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.60 2a24 s GLN 65 Cb 0.00 -0.89 -0.03 0.00 1.10 0.00 0.00 33.01 33.19 2a24 s GLN 65 CO 0.00 -0.34 -0.07 0.54 -0.55 0.00 0.00 175.29 174.88 2a24 s VAL 66 N 2.04 0.54 -0.30 1.34 0.11 -0.83 -5.00 120.40 118.30 2a24 s VAL 66 Ca 0.05 -1.37 -0.12 0.00 -2.93 0.00 0.00 61.98 57.61 2a24 s VAL 66 Cb -0.12 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 2a24 s VAL 66 CO -0.05 -0.58 0.20 -0.69 -3.33 0.00 0.00 175.10 170.66 2a24 s VAL 67 N -2.22 5.28 0.33 2.04 1.01 -1.26 -1.73 120.40 123.84 2a24 s VAL 67 Ca -0.03 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2a24 s VAL 67 Cb -0.04 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2a24 s VAL 67 CO -0.02 0.16 0.48 -0.44 0.00 0.00 0.00 175.10 175.28 2a24 s SER 68 N 1.74 6.04 0.69 3.32 0.01 0.79 -5.01 113.70 121.28 2a24 s SER 68 Ca 0.07 -0.04 -0.05 0.00 1.31 0.00 0.00 55.95 57.23 2a24 s SER 68 Cb -0.16 -1.44 0.06 0.00 0.21 0.00 0.00 66.02 64.69 2a24 s SER 68 CO 0.11 -0.39 0.98 -0.83 0.41 0.00 0.00 173.24 173.52 2a24 s GLY 69 N -4.14 1.72 0.35 3.44 0.00 -1.26 -3.56 107.32 103.86 2a24 s GLY 69 Ca 0.43 -1.03 -0.28 0.00 0.00 0.00 0.00 44.72 43.83 2a24 s GLY 69 CO 0.32 -0.63 1.37 1.20 0.00 0.00 0.00 173.10 175.36 2a24 s GLN 70 N -5.18 4.27 0.24 2.90 -0.21 -1.26 -4.39 119.66 116.03 2a24 s GLN 70 Ca 0.60 2.34 0.02 0.00 0.02 0.00 0.00 55.36 58.35 2a24 s GLN 70 Cb -0.10 -3.04 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 2a24 s GLN 70 CO 0.44 -0.31 0.07 2.48 -2.12 0.00 0.00 175.29 175.85 2a24 n TYR 71 N 0.71 0.15 -3.37 0.91 0.18 -0.95 -4.89 117.16 109.91 2a24 n TYR 71 Ca 0.00 -1.51 -0.45 0.00 1.88 0.00 0.00 57.90 57.82 2a24 n TYR 71 Cb 0.41 -0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 39.30 2a24 n TYR 71 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2a24 s ARG 72 N -2.92 3.14 -0.26 -3.48 0.52 -1.26 -3.11 118.95 111.58 2a24 s ARG 72 Ca 0.11 -2.05 -0.22 0.00 -0.52 0.00 0.00 55.73 53.05 2a24 s ARG 72 Cb 0.01 -4.27 -0.01 0.00 0.52 0.00 0.00 34.95 31.19 2a24 s ARG 72 CO 0.07 -1.29 0.70 1.41 0.02 0.00 0.00 175.30 176.21 2a24 s MET 73 N 0.93 4.10 0.08 3.54 -2.45 0.07 -3.89 119.30 121.69 2a24 s MET 73 Ca 0.10 0.64 -0.31 0.00 -1.25 0.00 0.00 55.69 54.87 2a24 s MET 73 Cb -0.21 -3.66 -0.07 0.00 1.25 0.00 0.00 34.83 32.14 2a24 s MET 73 CO -0.02 -0.48 1.33 -1.17 1.05 0.00 0.00 175.02 175.73 2a24 s LEU 74 N 2.65 4.36 0.61 4.11 2.96 -1.26 0.04 118.68 132.15 2a24 s LEU 74 Ca 0.29 2.20 -0.04 0.00 -0.22 0.00 0.00 54.13 56.35 2a24 s LEU 74 Cb -0.15 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 42.99 2a24 s LEU 74 CO 0.09 -0.61 0.89 0.00 -1.32 0.00 0.00 176.35 175.40 2a24 s ALA 75 N 1.30 3.39 0.03 5.97 0.00 -0.01 -4.91 121.76 127.54 2a24 s ALA 75 Ca 0.63 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 2a24 s ALA 75 Cb -0.34 -2.47 -0.15 0.00 0.00 0.00 0.00 23.12 20.16 2a24 s ALA 75 CO 0.29 -0.91 1.40 -0.22 0.00 0.00 0.00 175.76 176.33 2a24 h LYS 76 N -0.21 0.21 -0.03 0.00 3.64 -1.15 -2.92 116.57 116.12 2a24 h LYS 76 Ca -0.45 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2a24 h LYS 76 Cb 1.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2a24 h LYS 76 CO 0.59 0.54 0.00 -2.39 -2.27 0.00 0.00 179.45 175.92 2a24 n HIS 77 N -4.74 0.03 0.00 1.91 1.44 -1.26 -5.00 115.22 107.60 2a24 n HIS 77 Ca -0.06 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 2a24 n HIS 77 Cb 0.25 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.36 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 0.99 2.49 0.00 -1.39 0.00 -1.10 -5.16 105.19 101.02 2a24 n GLY 78 Ca 0.19 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2a24 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a24 n GLY 79 N 0.36 1.19 3.12 -0.02 0.00 -1.26 -4.32 105.19 104.25 2a24 n GLY 79 Ca 0.00 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 2a24 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a24 s TYR 80 N -2.91 2.76 -0.09 1.61 2.02 0.17 -0.83 117.35 120.08 2a24 s TYR 80 Ca 0.00 -1.63 -0.16 0.00 -0.37 0.00 0.00 57.07 54.91 2a24 s TYR 80 Cb 0.00 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 2a24 s TYR 80 CO 0.00 -0.80 0.41 0.08 -1.57 0.00 0.00 175.55 173.67 2a24 s VAL 81 N 1.28 5.16 -0.59 0.71 1.01 0.11 -0.09 120.40 127.98 2a24 s VAL 81 Ca 0.05 0.82 -0.23 0.00 0.00 0.00 0.00 61.98 62.61 2a24 s VAL 81 Cb -0.13 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2a24 s VAL 81 CO -0.13 0.43 0.93 0.26 0.00 0.00 0.00 175.10 176.60 2a24 s TRP 82 N -0.01 2.75 -0.02 5.22 0.52 -1.13 -0.75 118.94 125.53 2a24 s TRP 82 Ca 0.23 -0.27 0.07 0.00 0.02 0.00 0.00 56.10 56.15 2a24 s TRP 82 Cb -0.15 -4.13 -0.02 0.00 -1.15 0.00 0.00 33.47 28.02 2a24 s TRP 82 CO 0.10 -1.46 -0.22 -0.51 0.02 0.00 0.00 176.95 174.87 2a24 s LEU 83 N 3.93 2.05 0.62 2.99 1.02 -1.18 -3.32 118.68 124.78 2a24 s LEU 83 Ca 0.26 -0.41 -0.06 0.00 0.02 0.00 0.00 54.13 53.94 2a24 s LEU 83 Cb -0.15 -1.15 0.03 0.00 0.02 0.00 0.00 46.19 44.94 2a24 s LEU 83 CO 0.15 0.27 0.93 -1.61 0.02 0.00 0.00 176.35 176.11 2a24 s GLU 84 N -0.54 2.69 -0.15 1.70 2.02 0.29 -2.23 118.70 122.48 2a24 s GLU 84 Ca 0.09 -0.10 -0.05 0.00 0.02 0.00 0.00 54.97 54.92 2a24 s GLU 84 Cb -0.09 -2.25 0.07 0.00 0.10 0.00 0.00 34.13 31.97 2a24 s GLU 84 CO -0.01 -0.87 0.29 0.99 0.02 0.00 0.00 175.26 175.69 2a24 s THR 85 N -3.06 -0.46 -0.85 3.63 2.01 -1.23 -1.26 115.64 114.42 2a24 s THR 85 Ca 0.56 0.22 -0.07 0.00 0.31 0.00 0.00 61.69 62.71 2a24 s THR 85 Cb -0.11 -0.51 0.22 0.00 0.01 0.00 0.00 72.50 72.11 2a24 s THR 85 CO 0.45 0.08 0.75 -1.58 -0.69 0.00 0.00 174.62 173.62 2a24 s GLN 86 N 2.45 3.35 -0.26 4.92 0.74 0.11 -0.15 119.66 130.82 2a24 s GLN 86 Ca 0.02 -2.86 -0.29 0.00 0.05 0.00 0.00 55.36 52.28 2a24 s GLN 86 Cb -0.12 -4.13 -0.02 0.00 1.10 0.00 0.00 33.01 29.83 2a24 s GLN 86 CO -0.10 -1.24 1.71 0.20 -0.55 0.00 0.00 175.29 175.31 2a24 s GLY 87 N 0.95 1.03 -0.59 2.59 0.00 -0.71 -1.32 107.32 109.28 2a24 s GLY 87 Ca 0.23 0.41 -0.06 0.00 0.00 0.00 0.00 44.72 45.30 2a24 s GLY 87 CO -0.08 3.14 0.43 -1.59 0.00 0.00 0.00 173.10 175.00 2a24 s THR 88 N 5.95 4.01 -0.65 0.90 2.01 0.49 -1.97 115.64 126.38 2a24 s THR 88 Ca 0.76 -2.53 -0.24 0.00 0.31 0.00 0.00 61.69 59.99 2a24 s THR 88 Cb -0.24 -3.61 0.05 0.00 0.01 0.00 0.00 72.50 68.70 2a24 s THR 88 CO 0.32 -0.85 1.04 -0.69 -0.69 0.00 0.00 174.62 173.75 2a24 s VAL 89 N 0.43 4.19 -0.11 3.82 1.01 0.10 -0.54 120.40 129.29 2a24 s VAL 89 Ca 0.14 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 2a24 s VAL 89 Cb -0.20 -4.70 -0.05 0.00 0.00 0.00 0.00 36.38 31.42 2a24 s VAL 89 CO -0.04 -1.46 0.30 -0.63 0.00 0.00 0.00 175.10 173.27 2a24 s ILE 90 N 4.46 5.27 0.00 2.22 -1.09 0.02 -4.74 121.20 127.35 2a24 s ILE 90 Ca 0.28 0.57 -0.18 0.00 -2.23 0.00 0.00 60.65 59.09 2a24 s ILE 90 Cb -0.13 -3.61 -0.06 0.00 -1.58 0.00 0.00 42.46 37.08 2a24 s ILE 90 CO 0.14 0.48 0.52 -0.31 -1.23 0.00 0.00 174.94 174.54 2a24 s TYR 91 N -0.17 3.71 -0.27 3.97 2.02 -1.26 -1.12 117.35 124.23 2a24 s TYR 91 Ca 0.18 1.12 -0.29 0.00 -0.37 0.00 0.00 57.07 57.71 2a24 s TYR 91 Cb -0.14 -2.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.94 2a24 s TYR 91 CO 0.06 0.47 1.23 1.21 -1.57 0.00 0.00 175.55 176.95 2a24 s ASN 92 N -0.58 6.82 0.38 2.29 3.84 -0.09 -4.83 114.94 122.77 2a24 s ASN 92 Ca 0.28 1.29 0.25 0.00 0.21 0.00 0.00 52.86 54.89 2a24 s ASN 92 Cb -0.18 -2.54 1.36 0.00 -0.55 0.00 0.00 41.25 39.34 2a24 s ASN 92 CO 0.16 -0.94 1.76 1.55 -2.79 0.00 0.00 177.10 176.84 2a24 h PRO 93 N 8.66 0.00 0.00 0.43 0.13 -1.96 0.96 132.00 140.22 2a24 h PRO 93 Ca -0.24 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 2a24 h PRO 93 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2a24 h PRO 93 CO 1.02 0.00 -0.51 0.00 -0.23 0.00 0.00 178.00 178.27 2a24 h ARG 94 N 0.00 0.00 0.00 0.86 3.08 -1.97 -3.37 114.38 112.98 2a24 h ARG 94 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2a24 h ARG 94 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2a24 h ARG 94 CO 0.00 0.51 0.00 -1.71 -1.07 0.00 0.00 179.97 177.70 2a24 n ASN 95 N -3.53 0.03 -3.22 7.04 2.85 -0.75 -5.04 115.26 112.64 2a24 n ASN 95 Ca -0.00 -0.24 -0.15 0.00 -0.11 0.00 0.00 54.58 54.08 2a24 n ASN 95 Cb 0.61 0.14 0.08 0.00 1.24 0.00 0.00 39.78 41.85 2a24 n ASN 95 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2a24 n LEU 96 N -0.14 -4.04 -4.17 1.20 7.99 0.33 -5.02 117.00 113.15 2a24 n LEU 96 Ca 0.00 -0.58 -0.17 0.00 -0.01 0.00 0.00 56.01 55.25 2a24 n LEU 96 Cb 0.03 -2.93 -0.12 0.00 -0.11 0.00 0.00 43.42 40.30 2a24 n LEU 96 CO 0.00 0.32 -0.45 0.00 -1.51 0.00 0.00 177.39 175.75 2a24 s GLN 97 N -5.14 0.82 -0.96 3.23 -2.07 -1.22 -4.88 119.66 109.43 2a24 s GLN 97 Ca 0.05 -0.99 -0.24 0.00 -1.82 0.00 0.00 55.36 52.36 2a24 s GLN 97 Cb -0.01 -0.76 -0.08 0.00 -1.09 0.00 0.00 33.01 31.07 2a24 s GLN 97 CO 0.67 0.16 2.02 -1.25 -1.32 0.00 0.00 175.29 175.57 2a24 s PRO 98 N -1.91 2.32 -0.14 9.60 0.04 -1.26 -0.91 135.00 142.73 2a24 s PRO 98 Ca -0.01 -0.39 -0.00 0.00 0.04 0.00 0.00 61.00 60.64 2a24 s PRO 98 Cb -0.09 -5.06 -0.09 0.00 0.04 0.00 0.00 34.50 29.30 2a24 s PRO 98 CO 0.02 -3.80 -0.13 0.94 0.04 0.00 0.00 177.00 174.07 2a24 n GLN 99 N 8.68 0.35 -1.80 4.56 7.27 -1.16 -4.54 117.38 130.73 2a24 n GLN 99 Ca 0.42 0.09 -0.40 0.00 0.07 0.00 0.00 57.00 57.18 2a24 n GLN 99 Cb 0.46 -1.25 -0.01 0.00 2.41 0.00 0.00 30.24 31.86 2a24 n GLN 99 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2a24 s ILE 101 N 0.23 3.91 -0.50 0.00 1.01 -1.16 -0.80 121.20 123.90 2a24 s ILE 101 Ca 0.57 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.96 2a24 s ILE 101 Cb 0.17 -4.92 0.12 0.00 0.01 0.00 0.00 42.46 37.84 2a24 s ILE 101 CO -0.07 -1.81 0.41 -0.04 0.00 0.00 0.00 174.94 173.42 2a24 s MET 102 N 5.13 2.73 -0.51 2.79 -1.94 0.30 -0.41 119.30 127.40 2a24 s MET 102 Ca 0.36 -1.70 -0.24 0.00 -1.71 0.00 0.00 55.69 52.41 2a24 s MET 102 Cb -0.07 -4.09 0.04 0.00 2.01 0.00 0.00 34.83 32.72 2a24 s MET 102 CO 0.06 -1.23 0.87 0.00 -0.01 0.00 0.00 175.02 174.72 2a24 s VAL 104 N 3.65 4.01 -0.22 0.00 1.01 -0.43 -0.56 120.40 127.86 2a24 s VAL 104 Ca 0.30 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 2a24 s VAL 104 Cb -0.13 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.59 2a24 s VAL 104 CO 0.20 -1.22 0.49 0.20 0.00 0.00 0.00 175.10 174.77 2a24 s ASN 105 N 3.13 6.50 -0.27 3.32 -0.87 0.12 0.07 114.94 126.95 2a24 s ASN 105 Ca 0.46 0.60 -0.10 0.00 -1.57 0.00 0.00 52.86 52.25 2a24 s ASN 105 Cb -0.08 -2.28 -0.05 0.00 -0.02 0.00 0.00 41.25 38.83 2a24 s ASN 105 CO 0.27 -0.18 0.17 -0.31 -2.57 0.00 0.00 177.10 174.47 2a24 s TYR 106 N 1.73 3.20 -0.57 2.20 1.51 -0.39 -0.87 117.35 124.17 2a24 s TYR 106 Ca 0.22 0.04 -0.20 0.00 -1.01 0.00 0.00 57.07 56.11 2a24 s TYR 106 Cb -0.15 -2.35 0.07 0.00 -0.11 0.00 0.00 41.96 39.42 2a24 s TYR 106 CO 0.09 -0.17 0.76 0.08 -1.11 0.00 0.00 175.55 175.20 2a24 s VAL 107 N 1.67 4.67 -0.14 0.71 1.01 -1.20 -0.55 120.40 126.58 2a24 s VAL 107 Ca 0.07 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 2a24 s VAL 107 Cb -0.16 -4.47 -0.07 0.00 0.00 0.00 0.00 36.38 31.68 2a24 s VAL 107 CO 0.09 -1.09 -0.16 0.18 0.00 0.00 0.00 175.10 174.13 2a24 n LEU 108 N 6.72 1.62 0.00 3.92 4.77 -1.26 -4.50 117.00 128.28 2a24 n LEU 108 Ca -0.06 0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 55.79 2a24 n LEU 108 Cb 0.45 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 41.23 2a24 n LEU 108 CO 0.59 0.43 0.56 -1.20 -1.33 0.00 0.00 177.39 176.44 2a24 n SER 109 N -3.40 1.26 -1.12 -1.43 7.64 -1.21 -5.11 113.62 110.25 2a24 n SER 109 Ca -0.26 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.53 2a24 n SER 109 Cb 0.71 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -2.84 2.17 -3.33 1.43 0.00 -1.26 -4.62 120.64 112.19 2a24 n GLU 110 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.94 2a24 n GLU 110 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.95 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 1.00 5.17 -1.65 3.84 1.01 -1.26 -2.82 121.20 126.47 2a24 s ILE 111 Ca 0.00 0.83 0.13 0.00 0.00 0.00 0.00 60.65 61.61 2a24 s ILE 111 Cb 0.00 -3.78 0.10 0.00 0.01 0.00 0.00 42.46 38.79 2a24 s ILE 111 CO 0.00 0.24 0.92 -0.62 0.00 0.00 0.00 174.94 175.48