#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 4.35 -0.10 3.15 2.01 -1.26 -2.84 115.64 120.95 2a24 s THR 7 Ca 0.00 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.29 2a24 s THR 7 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2a24 s THR 7 CO 0.00 0.20 -0.22 0.12 -0.69 0.00 0.00 174.62 174.03 2a24 s PHE 8 N -1.28 2.41 -0.16 4.92 5.36 0.44 -4.98 117.98 124.69 2a24 s PHE 8 Ca 0.26 -1.00 -0.08 0.00 -0.96 0.00 0.00 56.93 55.15 2a24 s PHE 8 Cb -0.12 -1.63 -0.04 0.00 -0.34 0.00 0.00 43.02 40.89 2a24 s PHE 8 CO 0.18 -0.41 0.13 -1.17 -1.46 0.00 0.00 175.22 172.48 2a24 s LEU 9 N 0.42 4.25 -0.04 6.12 1.98 -1.26 0.15 118.68 130.30 2a24 s LEU 9 Ca -0.18 0.32 -0.01 0.00 -2.89 0.00 0.00 54.13 51.38 2a24 s LEU 9 Cb -0.18 -2.07 0.03 0.00 0.66 0.00 0.00 46.19 44.64 2a24 s LEU 9 CO 0.08 0.28 0.08 -0.55 -1.89 0.00 0.00 176.35 174.35 2a24 s SER 10 N -0.27 -0.00 -0.24 3.68 0.15 -0.62 -1.52 113.70 114.87 2a24 s SER 10 Ca 0.11 0.15 -0.09 0.00 0.70 0.00 0.00 55.95 56.82 2a24 s SER 10 Cb -0.12 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 2a24 s SER 10 CO 0.01 -0.14 0.12 -0.13 1.20 0.00 0.00 173.24 174.30 2a24 s ARG 11 N 1.11 3.86 -0.07 5.44 0.52 0.25 0.12 118.95 130.17 2a24 s ARG 11 Ca -0.09 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 2a24 s ARG 11 Cb -0.12 -3.43 0.00 0.00 0.52 0.00 0.00 34.95 31.92 2a24 s ARG 11 CO -0.04 -0.06 -0.19 -1.01 0.02 0.00 0.00 175.30 174.02 2a24 s HIS 12 N 1.34 2.02 0.09 -0.53 3.76 -0.53 -0.39 115.29 121.05 2a24 s HIS 12 Ca 0.06 -0.75 0.01 0.00 -0.15 0.00 0.00 55.06 54.23 2a24 s HIS 12 Cb -0.15 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 2a24 s HIS 12 CO 0.05 -0.31 -0.06 -1.12 -0.85 0.00 0.00 174.74 172.45 2a24 s SER 13 N 0.37 1.04 1.17 1.40 0.01 -1.17 0.07 113.70 116.59 2a24 s SER 13 Ca -0.14 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2a24 s SER 13 Cb -0.16 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2a24 s SER 13 CO 0.06 -0.48 0.00 0.23 0.41 0.00 0.00 173.24 173.46 2a24 n MET 14 N 0.01 0.00 -0.31 12.44 2.81 -1.26 -1.70 117.12 129.11 2a24 n MET 14 Ca -0.13 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.74 2a24 n MET 14 Cb 0.61 0.00 0.09 0.00 -0.71 0.00 0.00 33.22 33.21 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 8.64 2.78 -1.63 7.83 5.75 -1.26 -4.79 116.55 133.87 2a24 n ASP 15 Ca 0.00 -2.37 -0.16 0.00 -0.01 0.00 0.00 54.79 52.26 2a24 n ASP 15 Cb 0.00 -0.58 -0.03 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 0.11 -1.21 -1.74 0.11 0.00 -0.69 -4.80 117.12 108.89 2a24 n MET 16 Ca 0.13 0.85 -0.30 0.00 -0.00 0.00 0.00 57.70 58.38 2a24 n MET 16 Cb 0.68 -5.17 0.18 0.00 0.00 0.00 0.00 33.22 28.91 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 -4.36 0.53 -0.58 2.12 -2.85 -1.06 -4.56 119.74 108.98 2a24 s LYS 17 Ca 0.00 -0.22 -0.24 0.00 -1.00 0.00 0.00 55.97 54.51 2a24 s LYS 17 Cb 0.00 -1.81 0.05 0.00 -2.06 0.00 0.00 37.83 34.00 2a24 s LYS 17 CO 0.00 -2.52 0.96 -0.06 0.10 0.00 0.00 175.35 173.83 2a24 s PHE 18 N -3.64 2.75 -0.11 1.78 0.40 -1.24 -3.02 117.98 114.89 2a24 s PHE 18 Ca 0.71 -0.14 0.16 0.00 -0.60 0.00 0.00 56.93 57.05 2a24 s PHE 18 Cb -0.07 -4.14 -0.09 0.00 0.51 0.00 0.00 43.02 39.24 2a24 s PHE 18 CO 0.53 -1.45 1.02 1.15 0.70 0.00 0.00 175.22 177.18 2a24 h THR 19 N 6.01 0.69 -1.71 0.64 2.02 -1.02 -0.45 112.91 119.08 2a24 h THR 19 Ca -0.27 -2.16 0.05 0.00 0.77 0.00 0.00 66.41 64.80 2a24 h THR 19 Cb 1.07 2.20 -0.25 0.00 -1.74 0.00 0.00 68.15 69.44 2a24 h THR 19 CO 1.12 0.39 0.32 -0.47 0.37 0.00 0.00 175.52 177.24 2a24 s TYR 20 N -2.91 -0.64 -0.04 3.16 5.04 -1.12 -4.85 117.35 115.99 2a24 s TYR 20 Ca -0.01 1.43 0.05 0.00 -2.44 0.00 0.00 57.07 56.11 2a24 s TYR 20 Cb 0.08 0.38 -0.01 0.00 0.35 0.00 0.00 41.96 42.77 2a24 s TYR 20 CO 0.79 -0.31 -0.20 0.00 -1.34 0.00 0.00 175.55 174.49 2a24 s ASP 22 N -0.14 5.36 0.40 0.00 -1.08 -0.57 -4.80 116.67 115.85 2a24 s ASP 22 Ca -0.01 2.29 0.28 0.00 -0.52 0.00 0.00 52.55 54.59 2a24 s ASP 22 Cb -0.12 -2.59 1.39 0.00 -1.46 0.00 0.00 42.92 40.15 2a24 s ASP 22 CO 0.02 -1.47 1.86 -2.24 0.52 0.00 0.00 175.17 173.86 2a24 h ASP 23 N 0.94 0.00 0.43 -0.34 3.04 -2.00 -1.80 116.42 116.68 2a24 h ASP 23 Ca -0.50 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 2a24 h ASP 23 Cb 1.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2a24 h ASP 23 CO 0.56 0.00 0.00 0.54 -2.04 0.00 0.00 179.24 178.30 2a24 n ARG 24 N -2.53 0.32 0.15 4.15 1.74 -1.26 -3.03 116.66 116.20 2a24 n ARG 24 Ca -0.00 0.07 0.01 0.00 -0.77 0.00 0.00 57.85 57.15 2a24 n ARG 24 Cb 0.13 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.27 0.00 0.55 2.10 -1.63 -2.78 117.51 117.01 2a24 h ILE 25 Ca 0.00 -2.04 0.00 0.00 1.08 0.00 0.00 64.86 63.90 2a24 h ILE 25 Cb 0.21 2.14 0.00 0.00 -1.09 0.00 0.00 36.82 38.09 2a24 h ILE 25 CO 0.00 0.56 0.00 0.74 -1.08 0.00 0.00 178.15 178.37 2a24 h THR 26 N 0.00 0.00 -0.02 2.19 2.02 -1.56 0.28 112.91 115.82 2a24 h THR 26 Ca -0.01 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2a24 h THR 26 Cb 1.10 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2a24 h THR 26 CO 0.07 0.00 -0.03 -1.84 0.37 0.00 0.00 175.52 174.10 2a24 n GLU 27 N -2.91 1.29 -0.02 6.66 0.28 -1.12 -3.60 120.64 121.22 2a24 n GLU 27 Ca 0.01 -1.41 -0.06 0.00 -0.16 0.00 0.00 57.16 55.55 2a24 n GLU 27 Cb 0.32 -1.31 -0.02 0.00 1.43 0.00 0.00 31.44 31.86 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 0.82 0.73 -0.09 -1.84 4.77 -0.99 -4.85 117.00 115.55 2a24 n LEU 28 Ca 0.09 0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 56.01 2a24 n LEU 28 Cb 0.40 -0.27 -0.13 0.00 -2.33 0.00 0.00 43.42 41.09 2a24 n LEU 28 CO 0.11 -0.08 -1.18 -0.38 -1.33 0.00 0.00 177.39 174.53 2a24 n ILE 29 N -3.44 1.55 0.00 -0.08 5.41 0.85 -4.95 119.36 118.71 2a24 n ILE 29 Ca -0.11 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.01 2a24 n ILE 29 Cb 0.46 -1.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 2a24 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2a24 n GLY 30 N 2.12 2.32 3.76 7.39 0.00 -0.34 -0.13 105.19 120.30 2a24 n GLY 30 Ca -0.40 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.27 3.43 0.00 1.61 2.02 -1.26 -4.76 117.35 116.13 2a24 s TYR 31 Ca 0.00 1.59 -0.28 0.00 -0.37 0.00 0.00 57.07 58.02 2a24 s TYR 31 Cb 0.00 -3.40 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 2a24 s TYR 31 CO 0.00 -0.95 0.87 -1.58 -1.57 0.00 0.00 175.55 172.32 2a24 s HIS 32 N -1.01 3.67 0.24 2.71 2.46 -1.26 -3.44 115.29 118.65 2a24 s HIS 32 Ca 0.47 1.56 -0.14 0.00 0.47 0.00 0.00 55.06 57.42 2a24 s HIS 32 Cb -0.34 -2.98 0.30 0.00 -0.13 0.00 0.00 32.58 29.43 2a24 s HIS 32 CO 0.43 0.09 1.58 -1.35 -2.47 0.00 0.00 174.74 173.02 2a24 h PRO 33 N 6.45 -0.03 0.00 2.88 0.11 -1.87 0.97 132.00 140.51 2a24 h PRO 33 Ca -0.42 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2a24 h PRO 33 Cb 1.21 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2a24 h PRO 33 CO 0.74 -0.02 -0.12 0.93 -0.21 0.00 0.00 178.00 179.32 2a24 h GLU 34 N -0.03 0.00 0.00 1.05 4.39 -1.93 -1.63 114.58 116.43 2a24 h GLU 34 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2a24 h GLU 34 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2a24 h GLU 34 CO -0.88 0.12 0.00 -1.91 -1.16 0.00 0.00 179.01 175.18 2a24 n GLU 35 N -4.01 0.16 -0.01 2.33 0.00 0.32 -3.13 120.64 116.30 2a24 n GLU 35 Ca -0.02 0.14 0.09 0.00 0.00 0.00 0.00 57.16 57.37 2a24 n GLU 35 Cb 0.21 -1.69 -0.13 0.00 0.00 0.00 0.00 31.44 29.83 2a24 n GLU 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2a24 n LEU 36 N -1.96 0.32 -4.57 4.31 4.77 -0.66 -4.76 117.00 114.45 2a24 n LEU 36 Ca 0.06 -0.18 -0.39 0.00 -0.03 0.00 0.00 56.01 55.47 2a24 n LEU 36 Cb 0.39 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 2a24 n LEU 36 CO 0.29 0.08 1.86 -0.76 -1.33 0.00 0.00 177.39 177.52 2a24 s LEU 37 N -3.82 3.41 0.00 2.23 1.43 -0.93 -1.47 118.68 119.53 2a24 s LEU 37 Ca -0.02 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2a24 s LEU 37 Cb 0.13 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.44 2a24 s LEU 37 CO 0.79 -2.42 0.00 0.61 0.23 0.00 0.00 176.35 175.57 2a24 n GLY 38 N 5.82 0.60 3.95 -3.19 0.00 -0.18 -5.03 105.19 107.17 2a24 n GLY 38 Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.83 3.46 0.04 1.61 1.70 -0.54 -4.96 118.95 119.43 2a24 s ARG 39 Ca 0.00 -0.60 -0.30 0.00 -0.47 0.00 0.00 55.73 54.36 2a24 s ARG 39 Cb 0.00 -2.88 -0.08 0.00 -0.57 0.00 0.00 34.95 31.42 2a24 s ARG 39 CO 0.00 0.42 1.78 -1.54 -1.08 0.00 0.00 175.30 174.89 2a24 s SER 40 N -3.62 6.54 0.15 -2.89 1.04 -1.26 -3.61 113.70 110.05 2a24 s SER 40 Ca 0.35 2.53 0.11 0.00 0.48 0.00 0.00 55.95 59.42 2a24 s SER 40 Cb -0.10 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.35 2a24 s SER 40 CO 0.30 -0.97 1.24 0.00 0.98 0.00 0.00 173.24 174.79 2a24 h ALA 41 N 9.40 0.51 0.00 5.32 0.00 -1.87 -3.24 119.26 129.38 2a24 h ALA 41 Ca -0.45 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.65 2a24 h ALA 41 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2a24 h ALA 41 CO 0.94 1.06 0.00 0.66 0.00 0.00 0.00 179.25 181.91 2a24 n TYR 42 N -3.25 0.00 -0.13 0.00 4.01 -1.26 -1.49 117.16 115.04 2a24 n TYR 42 Ca -0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 2a24 n TYR 42 Cb 0.88 -0.37 0.03 0.00 -0.31 0.00 0.00 39.34 39.56 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 0.92 0.00 -0.72 5.08 -1.96 -3.19 114.58 114.71 2a24 h GLU 43 Ca 0.00 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2a24 h GLU 43 Cb 0.15 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2a24 h GLU 43 CO 0.00 1.05 -0.09 1.97 -1.00 0.00 0.00 179.01 180.94 2a24 n PHE 44 N -4.10 0.00 -1.28 4.33 -1.74 -1.02 -4.84 117.46 108.81 2a24 n PHE 44 Ca -0.00 -0.93 -0.30 0.00 -0.56 0.00 0.00 57.45 55.65 2a24 n PHE 44 Cb 0.46 -0.15 -0.07 0.00 1.52 0.00 0.00 39.48 41.24 2a24 n PHE 44 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 2a24 n TYR 45 N -1.26 1.66 -0.91 2.97 9.36 -0.56 -3.81 117.16 124.62 2a24 n TYR 45 Ca 0.15 -2.54 0.00 0.00 3.32 0.00 0.00 57.90 58.82 2a24 n TYR 45 Cb 0.65 -2.13 0.00 0.00 -0.63 0.00 0.00 39.34 37.24 2a24 n TYR 45 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2a24 n HIS 46 N 2.99 -2.48 -0.11 2.98 8.25 -1.26 -3.94 115.22 121.64 2a24 n HIS 46 Ca 0.65 1.35 -0.13 0.00 -0.26 0.00 0.00 57.72 59.33 2a24 n HIS 46 Cb 0.45 -2.30 -0.14 0.00 1.12 0.00 0.00 29.99 29.12 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 -2.13 1.48 -0.03 -1.41 0.00 -1.26 -4.01 120.51 113.14 2a24 n ALA 47 Ca 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 53.44 52.21 2a24 n ALA 47 Cb 0.28 -0.15 -0.11 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.96 0.00 -2.06 0.00 -0.00 -1.26 -4.41 117.00 106.31 2a24 n LEU 48 Ca -0.38 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.49 2a24 n LEU 48 Cb 1.09 0.15 0.25 0.00 -0.00 0.00 0.00 43.42 44.90 2a24 n LEU 48 CO 0.36 0.15 1.13 0.47 -0.00 0.00 0.00 177.39 179.50 2a24 n ASP 49 N -2.22 4.25 0.04 1.45 9.92 -1.26 -4.53 116.55 124.20 2a24 n ASP 49 Ca -0.11 -3.42 -0.13 0.00 -0.53 0.00 0.00 54.79 50.60 2a24 n ASP 49 Cb 0.63 -0.78 -0.09 0.00 -0.64 0.00 0.00 41.12 40.24 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 1.86 -0.09 0.04 -2.24 0.02 -1.70 -3.07 113.55 108.37 2a24 h SER 50 Ca 0.43 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2a24 h SER 50 Cb 2.54 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 65.10 2a24 h SER 50 CO 0.88 0.30 -0.09 -0.33 -1.14 0.00 0.00 176.83 176.45 2a24 h GLU 51 N -0.49 0.13 -0.84 3.45 5.08 -1.89 -1.86 114.58 118.15 2a24 h GLU 51 Ca -0.01 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2a24 h GLU 51 Cb 0.42 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 2a24 h GLU 51 CO 0.02 0.23 0.49 -0.97 -1.00 0.00 0.00 179.01 177.78 2a24 h ASN 52 N 0.13 0.72 0.40 1.42 -0.73 -1.83 0.24 115.58 115.91 2a24 h ASN 52 Ca 0.03 0.04 -0.25 0.00 1.87 0.00 0.00 56.30 58.00 2a24 h ASN 52 Cb 0.24 -0.10 0.01 0.00 0.27 0.00 0.00 38.32 38.74 2a24 h ASN 52 CO 0.01 0.41 -1.05 0.24 -0.37 0.00 0.00 177.43 176.67 2a24 h MET 53 N 0.83 0.39 -0.10 6.67 2.86 -1.30 -2.21 114.93 122.07 2a24 h MET 53 Ca 0.40 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2a24 h MET 53 Cb 0.35 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 2a24 h MET 53 CO -0.24 1.16 0.06 1.15 1.06 0.00 0.00 176.91 180.11 2a24 h THR 54 N 0.19 1.05 -0.44 2.22 2.02 -0.67 0.28 112.91 117.56 2a24 h THR 54 Ca -0.11 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 2a24 h THR 54 Cb 1.72 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 2a24 h THR 54 CO 0.18 0.04 0.02 0.11 0.37 0.00 0.00 175.52 176.25 2a24 h LYS 55 N 0.11 0.70 0.03 6.66 6.56 -0.62 -0.02 116.57 129.99 2a24 h LYS 55 Ca 0.04 -0.16 -0.00 0.00 -1.06 0.00 0.00 60.65 59.46 2a24 h LYS 55 Cb 0.02 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 2a24 h LYS 55 CO -0.01 0.70 -0.01 0.77 -2.06 0.00 0.00 179.45 178.83 2a24 h SER 56 N 0.66 -0.03 -0.30 0.86 0.02 -0.91 -1.04 113.55 112.80 2a24 h SER 56 Ca 0.14 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2a24 h SER 56 Cb 0.38 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2a24 h SER 56 CO 0.01 0.27 0.17 -0.74 -1.14 0.00 0.00 176.83 175.40 2a24 h HIS 57 N -0.34 0.45 0.48 3.45 -0.00 -0.24 0.35 115.15 119.30 2a24 h HIS 57 Ca -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 2a24 h HIS 57 Cb 0.32 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 2a24 h HIS 57 CO 0.03 0.33 -0.23 0.37 -0.00 0.00 0.00 177.93 178.42 2a24 h GLN 58 N 0.46 -0.62 -0.11 5.26 4.15 -0.78 -2.95 115.11 120.53 2a24 h GLN 58 Ca 0.12 0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.47 2a24 h GLN 58 Cb 0.04 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2a24 h GLN 58 CO -0.02 -0.33 -0.42 -0.97 -1.93 0.00 0.00 178.83 175.17 2a24 h ASN 59 N -0.86 0.26 -0.51 -0.69 -1.24 -0.89 -3.16 115.58 108.49 2a24 h ASN 59 Ca -0.07 -0.11 0.06 0.00 0.71 0.00 0.00 56.30 56.89 2a24 h ASN 59 Cb 0.58 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.50 2a24 h ASN 59 CO 0.11 0.66 0.22 0.25 -1.29 0.00 0.00 177.43 177.38 2a24 h LEU 60 N 0.21 0.28 -0.64 0.34 5.85 -0.29 -0.27 115.31 120.79 2a24 h LEU 60 Ca 0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2a24 h LEU 60 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2a24 h LEU 60 CO 0.07 0.19 0.00 0.00 -0.34 0.00 0.00 178.44 178.36 2a24 n THR 62 N -2.13 2.10 0.00 0.00 -1.04 -0.18 -4.65 114.28 108.37 2a24 n THR 62 Ca 0.02 -1.69 0.00 0.00 -2.04 0.00 0.00 64.05 60.34 2a24 n THR 62 Cb 0.21 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 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 -0.22 0.00 0.00 -2.82 4.76 -0.78 -5.04 118.16 114.06 2a24 n LYS 63 Ca 0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2a24 n LYS 63 Cb 0.84 -0.12 0.00 0.00 -1.84 0.00 0.00 35.03 33.90 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 1.50 3.05 2.77 0.72 0.00 0.61 -4.97 105.19 108.87 2a24 n GLY 64 Ca 0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.01 -0.12 1.61 0.74 -1.25 -0.18 119.66 120.44 2a24 s GLN 65 Ca 0.00 0.45 -0.24 0.00 0.05 0.00 0.00 55.36 55.62 2a24 s GLN 65 Cb 0.00 -0.36 0.06 0.00 1.10 0.00 0.00 33.01 33.81 2a24 s GLN 65 CO 0.00 -0.30 0.59 0.54 -0.55 0.00 0.00 175.29 175.58 2a24 s VAL 66 N 2.08 0.01 -0.25 1.34 0.11 -0.68 -4.99 120.40 118.01 2a24 s VAL 66 Ca 0.02 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.89 2a24 s VAL 66 Cb -0.12 -0.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2a24 s VAL 66 CO -0.04 -0.04 0.16 -0.69 -3.33 0.00 0.00 175.10 171.15 2a24 s VAL 67 N -0.58 5.26 0.40 2.04 1.01 -1.26 0.21 120.40 127.47 2a24 s VAL 67 Ca -0.07 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 2a24 s VAL 67 Cb -0.03 -3.46 -0.11 0.00 0.00 0.00 0.00 36.38 32.78 2a24 s VAL 67 CO 0.05 0.32 0.93 -0.44 0.00 0.00 0.00 175.10 175.97 2a24 s SER 68 N 1.26 7.01 0.59 3.32 0.01 0.18 -4.95 113.70 121.12 2a24 s SER 68 Ca 0.07 1.69 -0.19 0.00 1.31 0.00 0.00 55.95 58.83 2a24 s SER 68 Cb -0.14 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2a24 s SER 68 CO 0.06 -0.29 1.18 -0.83 0.41 0.00 0.00 173.24 173.78 2a24 s GLY 69 N -2.07 2.66 -0.10 3.44 0.00 -1.26 -3.16 107.32 106.83 2a24 s GLY 69 Ca 0.59 0.93 -0.32 0.00 0.00 0.00 0.00 44.72 45.92 2a24 s GLY 69 CO 0.16 1.31 2.01 -0.18 0.00 0.00 0.00 173.10 176.39 2a24 n GLN 70 N -1.63 2.27 -2.91 2.90 7.27 -1.26 -4.67 117.38 119.35 2a24 n GLN 70 Ca 0.13 0.79 -0.12 0.00 0.07 0.00 0.00 57.00 57.86 2a24 n GLN 70 Cb 0.50 -2.87 -0.02 0.00 2.41 0.00 0.00 30.24 30.27 2a24 n GLN 70 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 2a24 n TYR 71 N 8.22 0.05 -3.45 3.69 0.18 -0.76 -4.85 117.16 120.24 2a24 n TYR 71 Ca 0.25 -0.99 -0.43 0.00 1.88 0.00 0.00 57.90 58.61 2a24 n TYR 71 Cb 0.36 -0.15 -0.07 0.00 -0.38 0.00 0.00 39.34 39.10 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 -2.78 2.76 0.04 -3.48 0.52 -1.26 -1.87 118.95 112.88 2a24 s ARG 72 Ca 0.03 -1.62 -0.27 0.00 -0.52 0.00 0.00 55.73 53.35 2a24 s ARG 72 Cb -0.00 -4.06 -0.05 0.00 0.52 0.00 0.00 34.95 31.36 2a24 s ARG 72 CO 0.02 -1.17 0.86 1.41 0.02 0.00 0.00 175.30 176.44 2a24 s MET 73 N 1.50 4.56 0.04 3.54 1.75 0.10 -4.53 119.30 126.26 2a24 s MET 73 Ca 0.04 1.23 -0.30 0.00 -1.25 0.00 0.00 55.69 55.41 2a24 s MET 73 Cb -0.27 -3.40 -0.05 0.00 2.84 0.00 0.00 34.83 33.96 2a24 s MET 73 CO 0.02 0.16 1.12 -1.17 -0.65 0.00 0.00 175.02 174.51 2a24 s LEU 74 N 0.30 4.37 0.63 4.11 2.96 -1.25 0.16 118.68 129.96 2a24 s LEU 74 Ca 0.44 1.89 0.06 0.00 -0.22 0.00 0.00 54.13 56.29 2a24 s LEU 74 Cb -0.21 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.01 2a24 s LEU 74 CO 0.25 -0.40 0.87 0.00 -1.32 0.00 0.00 176.35 175.76 2a24 s ALA 75 N 1.08 4.31 -0.05 5.97 0.00 0.15 -4.93 121.76 128.28 2a24 s ALA 75 Ca 0.56 -1.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 2a24 s ALA 75 Cb -0.26 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.23 2a24 s ALA 75 CO 0.29 -1.11 1.77 1.17 0.00 0.00 0.00 175.76 177.88 2a24 n LYS 76 N -2.48 1.14 -0.71 0.00 4.81 0.81 -3.13 118.16 118.59 2a24 n LYS 76 Ca 0.15 -0.28 -0.04 0.00 -0.87 0.00 0.00 58.31 57.28 2a24 n LYS 76 Cb 0.61 -1.11 -0.04 0.00 0.02 0.00 0.00 35.03 34.51 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 1.05 0.00 -0.15 5.64 1.44 -1.26 -4.98 115.22 116.96 2a24 n HIS 77 Ca 0.05 -0.25 0.00 0.00 -2.01 0.00 0.00 57.72 55.51 2a24 n HIS 77 Cb 0.54 0.37 0.00 0.00 0.12 0.00 0.00 29.99 31.02 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 2.06 3.79 -1.39 0.00 -1.18 -4.99 105.19 103.47 2a24 n GLY 78 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 2.31 -0.24 -0.02 0.00 -1.26 -4.76 107.32 101.35 2a24 s GLY 79 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 44.72 45.31 2a24 s GLY 79 CO 0.00 0.90 -0.13 -0.19 0.00 0.00 0.00 173.10 173.69 2a24 s TYR 80 N -2.19 3.12 -0.15 1.90 2.02 -0.92 0.31 117.35 121.46 2a24 s TYR 80 Ca 0.67 -2.08 -0.17 0.00 -0.37 0.00 0.00 57.07 55.13 2a24 s TYR 80 Cb -0.19 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 2a24 s TYR 80 CO 0.33 -0.85 0.43 0.08 -1.57 0.00 0.00 175.55 173.97 2a24 s VAL 81 N 1.17 5.21 -0.51 0.71 1.01 0.12 0.66 120.40 128.78 2a24 s VAL 81 Ca -0.04 0.83 -0.28 0.00 0.00 0.00 0.00 61.98 62.48 2a24 s VAL 81 Cb -0.18 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.45 2a24 s VAL 81 CO -0.07 0.32 1.32 0.26 0.00 0.00 0.00 175.10 176.93 2a24 s TRP 82 N 0.78 2.48 0.02 5.22 0.52 -1.14 0.00 118.94 126.81 2a24 s TRP 82 Ca 0.23 0.56 0.02 0.00 0.02 0.00 0.00 56.10 56.93 2a24 s TRP 82 Cb -0.15 -4.41 -0.01 0.00 -1.15 0.00 0.00 33.47 27.75 2a24 s TRP 82 CO 0.08 -1.77 -0.08 -0.51 0.02 0.00 0.00 176.95 174.70 2a24 s LEU 83 N 5.38 2.13 0.11 2.99 1.02 -0.78 -3.42 118.68 126.11 2a24 s LEU 83 Ca 0.52 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 54.31 2a24 s LEU 83 Cb -0.10 -0.29 -0.05 0.00 0.02 0.00 0.00 46.19 45.78 2a24 s LEU 83 CO 0.28 -0.05 0.29 -1.61 0.02 0.00 0.00 176.35 175.29 2a24 s GLU 84 N -0.86 3.52 -0.12 1.70 2.02 -0.72 -1.83 118.70 122.42 2a24 s GLU 84 Ca -0.03 -0.28 -0.02 0.00 0.02 0.00 0.00 54.97 54.66 2a24 s GLU 84 Cb -0.06 -2.94 0.04 0.00 0.10 0.00 0.00 34.13 31.27 2a24 s GLU 84 CO 0.00 0.53 0.02 0.99 0.02 0.00 0.00 175.26 176.83 2a24 s THR 85 N -1.60 0.34 -0.45 3.63 2.01 -1.19 0.10 115.64 118.49 2a24 s THR 85 Ca 0.38 -0.09 -0.19 0.00 0.31 0.00 0.00 61.69 62.09 2a24 s THR 85 Cb -0.12 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.75 2a24 s THR 85 CO 0.27 0.06 0.58 -1.58 -0.69 0.00 0.00 174.62 173.26 2a24 s GLN 86 N 1.97 3.20 -0.25 4.92 0.74 0.13 0.49 119.66 130.86 2a24 s GLN 86 Ca 0.03 -0.57 -0.27 0.00 0.05 0.00 0.00 55.36 54.60 2a24 s GLN 86 Cb -0.14 -3.98 0.01 0.00 1.10 0.00 0.00 33.01 30.00 2a24 s GLN 86 CO -0.06 -1.00 0.97 0.20 -0.55 0.00 0.00 175.29 174.84 2a24 s GLY 87 N 2.06 1.70 -0.41 2.59 0.00 0.13 -0.40 107.32 112.99 2a24 s GLY 87 Ca 0.18 0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.96 2a24 s GLY 87 CO 0.16 2.06 0.14 -1.59 0.00 0.00 0.00 173.10 173.87 2a24 s THR 88 N 3.13 2.49 -0.26 0.90 2.01 0.04 -1.69 115.64 122.26 2a24 s THR 88 Ca 0.41 -2.67 -0.29 0.00 0.31 0.00 0.00 61.69 59.44 2a24 s THR 88 Cb -0.15 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.58 2a24 s THR 88 CO 0.08 -0.68 1.24 -0.69 -0.69 0.00 0.00 174.62 173.88 2a24 s VAL 89 N 0.49 4.28 0.06 3.82 1.01 0.74 0.32 120.40 131.12 2a24 s VAL 89 Ca 0.13 1.49 -0.14 0.00 0.00 0.00 0.00 61.98 63.46 2a24 s VAL 89 Cb -0.22 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 2a24 s VAL 89 CO -0.05 -0.35 0.45 -0.51 0.00 0.00 0.00 175.10 174.64 2a24 s ILE 90 N 3.92 4.98 0.05 2.22 1.10 -0.77 -4.89 121.20 127.80 2a24 s ILE 90 Ca 0.53 0.78 0.01 0.00 -0.51 0.00 0.00 60.65 61.46 2a24 s ILE 90 Cb -0.17 -3.72 -0.04 0.00 0.15 0.00 0.00 42.46 38.68 2a24 s ILE 90 CO 0.18 0.43 0.12 -0.31 -2.11 0.00 0.00 174.94 173.25 2a24 s TYR 91 N -1.24 3.32 -0.25 3.50 1.51 -1.26 0.01 117.35 122.94 2a24 s TYR 91 Ca 0.30 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 2a24 s TYR 91 Cb -0.16 -1.70 0.04 0.00 -0.11 0.00 0.00 41.96 40.03 2a24 s TYR 91 CO 0.16 0.55 -0.09 1.21 -1.11 0.00 0.00 175.55 176.27 2a24 s ASN 92 N -2.23 4.20 0.18 2.29 2.47 0.32 -4.75 114.94 117.43 2a24 s ASN 92 Ca 0.29 -1.03 0.14 0.00 0.42 0.00 0.00 52.86 52.68 2a24 s ASN 92 Cb -0.12 -1.60 0.71 0.00 -1.45 0.00 0.00 41.25 38.79 2a24 s ASN 92 CO 0.21 -0.14 1.44 -0.81 -3.72 0.00 0.00 177.10 174.08 2a24 n PRO 93 N 4.58 0.09 -0.27 0.43 -0.04 -1.26 -1.03 135.00 137.50 2a24 n PRO 93 Ca -0.16 0.52 -0.05 0.00 -0.04 0.00 0.00 63.50 63.77 2a24 n PRO 93 Cb 0.46 -1.75 0.06 0.00 -0.04 0.00 0.00 33.50 32.22 2a24 n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a24 h ARG 94 N 0.00 1.06 0.00 0.54 2.47 -1.94 -3.25 114.38 113.26 2a24 h ARG 94 Ca 0.00 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2a24 h ARG 94 Cb 0.08 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 2a24 h ARG 94 CO 0.00 0.81 0.00 0.09 0.56 0.00 0.00 179.97 181.43 2a24 n ASN 95 N -4.43 1.18 -3.73 7.04 4.13 -1.07 -5.00 115.26 113.39 2a24 n ASN 95 Ca 0.07 -1.36 -0.26 0.00 1.68 0.00 0.00 54.58 54.70 2a24 n ASN 95 Cb 0.11 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.40 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 -0.18 -3.06 -4.09 3.41 4.77 -0.20 -4.98 117.00 112.67 2a24 n LEU 96 Ca 0.00 -0.66 -0.10 0.00 -0.03 0.00 0.00 56.01 55.22 2a24 n LEU 96 Cb 0.16 -2.82 -0.09 0.00 -2.33 0.00 0.00 43.42 38.34 2a24 n LEU 96 CO 0.00 0.55 -0.20 0.00 -1.33 0.00 0.00 177.39 176.41 2a24 s GLN 97 N -6.37 1.03 0.33 3.23 -2.07 -1.09 -4.96 119.66 109.76 2a24 s GLN 97 Ca 0.55 -1.37 -0.29 0.00 -1.82 0.00 0.00 55.36 52.44 2a24 s GLN 97 Cb -0.26 0.29 -0.11 0.00 -1.09 0.00 0.00 33.01 31.84 2a24 s GLN 97 CO 0.78 -0.33 1.51 -2.14 -1.32 0.00 0.00 175.29 173.80 2a24 s PRO 98 N -4.03 4.14 0.00 9.60 0.02 -1.26 -0.52 135.00 142.95 2a24 s PRO 98 Ca 0.23 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.79 2a24 s PRO 98 Cb 0.06 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.58 2a24 s PRO 98 CO 0.02 -0.54 0.00 0.94 -0.33 0.00 0.00 177.00 177.09 2a24 n GLN 99 N 1.26 0.00 -4.68 5.54 -0.06 0.10 -4.75 117.38 114.79 2a24 n GLN 99 Ca 0.04 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.77 2a24 n GLN 99 Cb 0.39 -0.01 -0.14 0.00 -4.06 0.00 0.00 30.24 26.41 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 -0.83 5.11 -0.79 0.00 1.01 0.11 -1.85 121.20 123.97 2a24 s ILE 101 Ca 0.09 0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.67 2a24 s ILE 101 Cb -0.09 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.55 2a24 s ILE 101 CO 0.02 -0.12 1.30 -0.04 0.00 0.00 0.00 174.94 176.10 2a24 s MET 102 N 2.16 3.26 -0.50 2.79 -1.94 0.15 -1.45 119.30 123.77 2a24 s MET 102 Ca 0.15 -0.42 -0.22 0.00 -1.71 0.00 0.00 55.69 53.49 2a24 s MET 102 Cb -0.16 -4.40 0.04 0.00 2.01 0.00 0.00 34.83 32.32 2a24 s MET 102 CO 0.12 -2.15 0.76 0.00 -0.01 0.00 0.00 175.02 173.74 2a24 s VAL 104 N 3.19 4.43 -0.23 0.00 1.01 0.46 -1.59 120.40 127.68 2a24 s VAL 104 Ca 0.23 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 2a24 s VAL 104 Cb -0.15 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 2a24 s VAL 104 CO 0.17 -1.05 0.47 0.20 0.00 0.00 0.00 175.10 174.90 2a24 s ASN 105 N 2.72 6.45 -0.34 3.32 0.01 0.12 0.21 114.94 127.43 2a24 s ASN 105 Ca 0.31 0.54 -0.14 0.00 -0.71 0.00 0.00 52.86 52.86 2a24 s ASN 105 Cb -0.12 -2.26 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 2a24 s ASN 105 CO 0.20 -0.19 0.29 -0.31 -1.51 0.00 0.00 177.10 175.58 2a24 s TYR 106 N 1.84 3.22 -0.78 2.20 2.02 0.12 -0.42 117.35 125.54 2a24 s TYR 106 Ca 0.21 -0.10 -0.21 0.00 -0.37 0.00 0.00 57.07 56.60 2a24 s TYR 106 Cb -0.15 -2.56 0.10 0.00 -0.40 0.00 0.00 41.96 38.95 2a24 s TYR 106 CO 0.09 -0.38 1.04 0.08 -1.57 0.00 0.00 175.55 174.82 2a24 s VAL 107 N 1.86 4.50 -1.61 0.71 1.01 -1.13 -1.75 120.40 123.99 2a24 s VAL 107 Ca 0.09 -0.92 0.13 0.00 0.00 0.00 0.00 61.98 61.28 2a24 s VAL 107 Cb -0.17 -4.73 0.10 0.00 0.00 0.00 0.00 36.38 31.58 2a24 s VAL 107 CO 0.11 -1.48 0.90 0.18 0.00 0.00 0.00 175.10 174.81 2a24 n LEU 108 N 7.20 2.05 -3.77 3.92 4.77 -1.26 -4.43 117.00 125.47 2a24 n LEU 108 Ca 0.09 -0.98 -0.10 0.00 -0.03 0.00 0.00 56.01 54.98 2a24 n LEU 108 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 2a24 n LEU 108 CO 0.58 0.38 0.00 -0.44 -1.33 0.00 0.00 177.39 176.58 2a24 s SER 109 N -1.13 -0.06 0.10 -1.43 0.01 -1.22 -5.10 113.70 104.87 2a24 s SER 109 Ca 0.15 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2a24 s SER 109 Cb 0.11 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2a24 s SER 109 CO 0.17 -0.68 0.00 -1.84 0.41 0.00 0.00 173.24 171.31 2a24 n GLU 110 N 0.29 1.84 -2.42 12.44 0.00 -1.26 -4.32 120.64 127.20 2a24 n GLU 110 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.57 2a24 n GLU 110 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 32.02 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 1.03 3.86 -2.54 3.84 1.01 -1.26 -2.88 121.20 124.26 2a24 s ILE 111 Ca 0.00 1.44 0.20 0.00 0.00 0.00 0.00 60.65 62.30 2a24 s ILE 111 Cb 0.00 -3.92 0.16 0.00 0.01 0.00 0.00 42.46 38.71 2a24 s ILE 111 CO 0.00 0.17 1.14 1.21 0.00 0.00 0.00 174.94 177.47