#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 5.44 0.07 -0.18 2.01 -1.26 -4.50 115.64 117.22 2a24 s THR 7 Ca 0.00 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2a24 s THR 7 Cb 0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2a24 s THR 7 CO 0.00 0.52 -0.10 0.72 -0.69 0.00 0.00 174.62 175.08 2a24 s PHE 8 N -0.31 0.91 0.39 4.92 -0.71 -1.18 -4.92 117.98 117.07 2a24 s PHE 8 Ca 0.12 -0.58 0.04 0.00 -1.04 0.00 0.00 56.93 55.47 2a24 s PHE 8 Cb -0.12 -0.52 0.07 0.00 -1.21 0.00 0.00 43.02 41.25 2a24 s PHE 8 CO 0.02 -0.04 0.54 1.28 -1.34 0.00 0.00 175.22 175.68 2a24 n LEU 9 N 1.02 0.00 -3.53 -1.99 7.99 -1.26 -1.60 117.00 117.63 2a24 n LEU 9 Ca -0.19 -1.49 0.00 0.00 -0.01 0.00 0.00 56.01 54.32 2a24 n LEU 9 Cb 0.56 -0.31 -0.05 0.00 -0.11 0.00 0.00 43.42 43.50 2a24 n LEU 9 CO 0.23 -0.69 0.74 -0.94 -1.51 0.00 0.00 177.39 175.22 2a24 s SER 10 N -3.34 -0.41 -0.30 -1.43 1.04 -1.05 -3.49 113.70 104.72 2a24 s SER 10 Ca 0.39 0.61 -0.17 0.00 0.48 0.00 0.00 55.95 57.27 2a24 s SER 10 Cb -0.03 1.29 -0.02 0.00 0.10 0.00 0.00 66.02 67.36 2a24 s SER 10 CO 0.25 -0.09 0.45 -0.60 0.98 0.00 0.00 173.24 174.23 2a24 s ARG 11 N 1.67 3.86 0.17 4.02 3.52 0.72 -2.07 118.95 130.84 2a24 s ARG 11 Ca -0.06 0.00 0.09 0.00 -0.13 0.00 0.00 55.73 55.63 2a24 s ARG 11 Cb -0.04 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 2a24 s ARG 11 CO -0.15 -0.44 -0.11 -1.01 -0.81 0.00 0.00 175.30 172.78 2a24 s HIS 12 N 2.23 2.61 0.04 5.12 3.76 0.07 -0.44 115.29 128.68 2a24 s HIS 12 Ca 0.17 -0.23 -0.19 0.00 -0.15 0.00 0.00 55.06 54.67 2a24 s HIS 12 Cb -0.16 -1.29 0.04 0.00 1.11 0.00 0.00 32.58 32.28 2a24 s HIS 12 CO 0.11 0.49 0.43 -1.12 -0.85 0.00 0.00 174.74 173.80 2a24 s SER 13 N -2.69 -0.31 0.97 1.40 0.01 -1.22 0.14 113.70 112.00 2a24 s SER 13 Ca 0.24 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2a24 s SER 13 Cb -0.09 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2a24 s SER 13 CO 0.14 -0.67 0.00 0.80 0.41 0.00 0.00 173.24 173.92 2a24 n MET 14 N 0.49 0.00 -0.13 12.44 0.00 -1.26 -0.99 117.12 127.67 2a24 n MET 14 Ca -0.18 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.54 2a24 n MET 14 Cb 0.60 0.00 0.08 0.00 0.00 0.00 0.00 33.22 33.90 2a24 n MET 14 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2a24 n ASP 15 N 7.78 1.40 -0.91 6.12 5.75 -1.26 -4.82 116.55 130.62 2a24 n ASP 15 Ca 0.00 -2.10 -0.09 0.00 -0.01 0.00 0.00 54.79 52.60 2a24 n ASP 15 Cb 0.00 -0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 39.76 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 0.04 -0.68 -1.25 0.11 0.00 -0.16 -4.90 117.12 110.28 2a24 n MET 16 Ca 0.06 0.55 -0.30 0.00 -0.00 0.00 0.00 57.70 58.01 2a24 n MET 16 Cb 0.29 -4.51 0.23 0.00 0.00 0.00 0.00 33.22 29.22 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 -3.90 -0.90 -0.78 2.12 -2.85 -1.09 -4.64 119.74 107.71 2a24 s LYS 17 Ca 0.00 -0.15 -0.22 0.00 -1.00 0.00 0.00 55.97 54.60 2a24 s LYS 17 Cb 0.00 -1.64 0.08 0.00 -2.06 0.00 0.00 37.83 34.21 2a24 s LYS 17 CO 0.00 -3.48 1.09 -0.06 0.10 0.00 0.00 175.35 173.00 2a24 s PHE 18 N -3.18 2.74 0.08 1.78 0.08 -1.26 -3.38 117.98 114.84 2a24 s PHE 18 Ca 0.72 -0.77 0.03 0.00 0.12 0.00 0.00 56.93 57.03 2a24 s PHE 18 Cb -0.08 -4.36 -0.24 0.00 -0.57 0.00 0.00 43.02 37.76 2a24 s PHE 18 CO 0.55 -1.68 1.15 1.15 -0.10 0.00 0.00 175.22 176.30 2a24 h THR 19 N 6.03 1.53 -1.23 0.64 2.02 -1.10 -3.29 112.91 117.51 2a24 h THR 19 Ca -0.11 -3.20 0.05 0.00 0.77 0.00 0.00 66.41 63.91 2a24 h THR 19 Cb 1.05 2.83 -0.22 0.00 -1.74 0.00 0.00 68.15 70.07 2a24 h THR 19 CO 1.20 0.90 -0.29 -0.47 0.37 0.00 0.00 175.52 177.22 2a24 s TYR 20 N -2.68 -1.46 0.40 3.16 5.04 -0.93 -4.98 117.35 115.91 2a24 s TYR 20 Ca -0.02 1.62 -0.05 0.00 -2.44 0.00 0.00 57.07 56.19 2a24 s TYR 20 Cb 0.09 0.50 -0.04 0.00 0.35 0.00 0.00 41.96 42.85 2a24 s TYR 20 CO 0.84 -0.83 0.69 0.00 -1.34 0.00 0.00 175.55 174.91 2a24 s ASP 22 N -3.76 6.19 0.05 0.00 -1.08 -1.23 -4.94 116.67 111.90 2a24 s ASP 22 Ca 0.46 1.08 0.27 0.00 -0.52 0.00 0.00 52.55 53.84 2a24 s ASP 22 Cb -0.10 -2.27 0.98 0.00 -1.46 0.00 0.00 42.92 40.06 2a24 s ASP 22 CO 0.38 -0.72 1.78 -0.90 0.52 0.00 0.00 175.17 176.23 2a24 n ASP 23 N -2.46 0.30 -1.25 -0.34 5.75 -1.26 -3.24 116.55 114.06 2a24 n ASP 23 Ca 0.03 0.38 0.11 0.00 -0.01 0.00 0.00 54.79 55.30 2a24 n ASP 23 Cb 0.55 -0.41 0.30 0.00 -1.03 0.00 0.00 41.12 40.52 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 -1.71 2.58 0.15 0.11 1.74 -1.26 -4.22 116.66 114.05 2a24 n ARG 24 Ca 0.06 -2.42 0.03 0.00 -0.77 0.00 0.00 57.85 54.75 2a24 n ARG 24 Cb 0.37 -1.53 0.09 0.00 -1.02 0.00 0.00 32.46 30.37 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 3.91 0.89 -0.37 0.55 2.10 -1.88 -3.31 117.51 119.39 2a24 h ILE 25 Ca 0.00 -2.10 -0.07 0.00 1.08 0.00 0.00 64.86 63.77 2a24 h ILE 25 Cb 0.91 2.33 -0.01 0.00 -1.09 0.00 0.00 36.82 38.96 2a24 h ILE 25 CO 0.01 0.48 -0.04 0.74 -1.08 0.00 0.00 178.15 178.25 2a24 h THR 26 N 0.00 1.27 0.00 2.19 2.02 -1.73 -1.49 112.91 115.16 2a24 h THR 26 Ca -0.00 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2a24 h THR 26 Cb 1.29 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2a24 h THR 26 CO 0.06 0.36 0.00 -0.62 0.37 0.00 0.00 175.52 175.69 2a24 n GLU 27 N -4.43 0.69 0.04 6.66 1.02 -1.25 -1.58 120.64 121.80 2a24 n GLU 27 Ca -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.12 2a24 n GLU 27 Cb 0.31 -1.43 -0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 -0.93 1.17 0.04 -4.62 4.77 -1.09 -4.84 117.00 111.50 2a24 n LEU 28 Ca 0.14 0.15 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 2a24 n LEU 28 Cb 0.06 -0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 40.66 2a24 n LEU 28 CO 0.11 -0.71 -0.12 0.40 -1.33 0.00 0.00 177.39 175.74 2a24 h ILE 29 N -0.09 1.39 0.00 -0.08 2.04 -1.40 -3.48 117.51 115.88 2a24 h ILE 29 Ca 0.00 -3.13 0.00 0.00 1.00 0.00 0.00 64.86 62.73 2a24 h ILE 29 Cb 0.09 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 2a24 h ILE 29 CO 0.00 0.81 0.00 0.61 0.00 0.00 0.00 178.15 179.57 2a24 n GLY 30 N 1.45 1.82 3.82 5.37 0.00 -0.61 -0.47 105.19 116.57 2a24 n GLY 30 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.50 3.67 0.33 1.61 2.02 -1.26 -4.87 117.35 116.35 2a24 s TYR 31 Ca 0.00 1.34 -0.26 0.00 -0.37 0.00 0.00 57.07 57.78 2a24 s TYR 31 Cb 0.00 -2.58 -0.10 0.00 -0.40 0.00 0.00 41.96 38.89 2a24 s TYR 31 CO 0.00 0.38 0.99 -1.01 -1.57 0.00 0.00 175.55 174.34 2a24 s HIS 32 N -1.45 3.60 0.20 2.71 3.76 -1.26 -3.59 115.29 119.25 2a24 s HIS 32 Ca 0.40 1.75 -0.12 0.00 -0.15 0.00 0.00 55.06 56.94 2a24 s HIS 32 Cb -0.17 -3.01 0.23 0.00 1.11 0.00 0.00 32.58 30.74 2a24 s HIS 32 CO 0.21 -0.06 1.68 -1.35 -0.85 0.00 0.00 174.74 174.37 2a24 h PRO 33 N 3.14 0.14 0.00 8.40 0.11 -1.95 -0.63 132.00 141.21 2a24 h PRO 33 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2a24 h PRO 33 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2a24 h PRO 33 CO 0.65 0.09 -0.14 1.05 -0.21 0.00 0.00 178.00 179.44 2a24 h GLU 34 N 0.14 0.00 -0.36 1.05 9.09 -1.94 -2.72 114.58 119.84 2a24 h GLU 34 Ca 0.28 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.54 2a24 h GLU 34 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 2a24 h GLU 34 CO -0.44 0.14 -0.35 1.49 0.05 0.00 0.00 179.01 179.89 2a24 h GLU 35 N 0.00 0.83 -0.00 1.06 4.22 -1.50 -2.84 114.58 116.34 2a24 h GLU 35 Ca -0.00 -0.41 0.00 0.00 0.08 0.00 0.00 59.36 59.02 2a24 h GLU 35 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2a24 h GLU 35 CO 0.02 1.05 -0.21 1.28 -2.18 0.00 0.00 179.01 178.97 2a24 n LEU 36 N -4.06 0.35 -4.55 1.64 4.77 -1.02 -4.60 117.00 109.54 2a24 n LEU 36 Ca -0.02 0.15 -0.39 0.00 -0.03 0.00 0.00 56.01 55.73 2a24 n LEU 36 Cb 0.52 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2a24 n LEU 36 CO 0.47 0.08 1.42 -0.76 -1.33 0.00 0.00 177.39 177.27 2a24 s LEU 37 N -2.82 3.24 0.00 2.23 1.43 -1.05 -3.12 118.68 118.59 2a24 s LEU 37 Ca 0.18 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2a24 s LEU 37 Cb 0.19 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.86 2a24 s LEU 37 CO 0.57 -2.15 0.00 0.61 0.23 0.00 0.00 176.35 175.61 2a24 n GLY 38 N 5.66 1.87 3.84 -3.19 0.00 -1.24 -5.01 105.19 107.12 2a24 n GLY 38 Ca 0.15 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 4.01 0.15 1.61 1.70 -1.18 -4.98 118.95 120.25 2a24 s ARG 39 Ca 0.00 0.96 -0.31 0.00 -0.47 0.00 0.00 55.73 55.90 2a24 s ARG 39 Cb 0.00 -2.17 -0.09 0.00 -0.57 0.00 0.00 34.95 32.12 2a24 s ARG 39 CO 0.00 -0.18 1.46 -1.12 -1.08 0.00 0.00 175.30 174.38 2a24 s SER 40 N -2.83 6.71 0.09 -2.89 0.01 -1.26 -4.38 113.70 109.16 2a24 s SER 40 Ca 0.59 2.48 -0.04 0.00 1.31 0.00 0.00 55.95 60.29 2a24 s SER 40 Cb -0.10 -2.59 -0.22 0.00 0.21 0.00 0.00 66.02 63.32 2a24 s SER 40 CO 0.26 -0.72 1.20 0.00 0.41 0.00 0.00 173.24 174.39 2a24 h ALA 41 N 6.59 0.19 -0.01 1.44 0.00 -1.92 -3.27 119.26 122.29 2a24 h ALA 41 Ca -0.43 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 53.65 2a24 h ALA 41 Cb 1.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2a24 h ALA 41 CO 0.87 0.93 0.02 1.88 0.00 0.00 0.00 179.25 182.95 2a24 h TYR 42 N 0.12 0.00 -0.85 0.00 -1.99 -1.91 -0.41 116.97 111.93 2a24 h TYR 42 Ca -0.12 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.68 2a24 h TYR 42 Cb 1.85 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 40.52 2a24 h TYR 42 CO 0.06 0.00 0.55 0.93 -0.00 0.00 0.00 178.16 179.70 2a24 h GLU 43 N 0.00 0.89 0.00 4.88 4.39 -1.98 -2.90 114.58 119.86 2a24 h GLU 43 Ca 0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2a24 h GLU 43 Cb 0.04 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 2a24 h GLU 43 CO -0.00 0.59 -0.22 1.97 -1.16 0.00 0.00 179.01 180.19 2a24 n PHE 44 N -4.49 0.00 -1.59 4.33 -1.74 -0.84 -4.92 117.46 108.20 2a24 n PHE 44 Ca 0.13 -0.59 -0.40 0.00 -0.56 0.00 0.00 57.45 56.02 2a24 n PHE 44 Cb 0.23 -0.11 -0.01 0.00 1.52 0.00 0.00 39.48 41.10 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 -0.83 2.91 -2.71 2.97 9.36 -0.22 -3.93 117.16 124.71 2a24 n TYR 45 Ca 0.09 -3.01 -0.03 0.00 3.32 0.00 0.00 57.90 58.27 2a24 n TYR 45 Cb 0.67 -2.44 -0.02 0.00 -0.63 0.00 0.00 39.34 36.91 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 4.48 -3.79 -0.29 2.98 8.25 -1.26 -3.92 115.22 121.67 2a24 n HIS 46 Ca 0.65 1.99 0.09 0.00 -0.26 0.00 0.00 57.72 60.19 2a24 n HIS 46 Cb 0.30 -3.62 0.25 0.00 1.12 0.00 0.00 29.99 28.05 2a24 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a24 h ALA 47 N 3.76 1.29 0.00 -1.41 0.00 -1.85 0.25 119.26 121.30 2a24 h ALA 47 Ca -0.29 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2a24 h ALA 47 Cb 0.70 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2a24 h ALA 47 CO 0.04 -0.24 -0.38 1.47 0.00 0.00 0.00 179.25 180.14 2a24 n LEU 48 N -4.99 0.56 -0.60 0.00 -0.00 -1.26 -3.66 117.00 107.05 2a24 n LEU 48 Ca 0.19 0.28 0.08 0.00 -0.00 0.00 0.00 56.01 56.55 2a24 n LEU 48 Cb 0.53 -0.27 0.19 0.00 -0.00 0.00 0.00 43.42 43.87 2a24 n LEU 48 CO 0.16 -0.03 0.65 0.47 -0.00 0.00 0.00 177.39 178.64 2a24 n ASP 49 N -1.89 3.24 -0.08 1.45 8.00 0.02 -4.61 116.55 122.68 2a24 n ASP 49 Ca 0.05 -2.77 -0.07 0.00 0.71 0.00 0.00 54.79 52.71 2a24 n ASP 49 Cb 0.40 -0.42 0.11 0.00 -0.02 0.00 0.00 41.12 41.19 2a24 n ASP 49 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2a24 h SER 50 N 1.31 0.74 -0.54 -2.24 0.02 -0.68 -0.89 113.55 111.27 2a24 h SER 50 Ca 0.00 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 2a24 h SER 50 Cb 1.15 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2a24 h SER 50 CO 0.12 0.93 0.20 -0.08 -1.14 0.00 0.00 176.83 176.86 2a24 h GLU 51 N 0.66 0.82 -0.56 3.45 4.81 -1.85 -0.09 114.58 121.82 2a24 h GLU 51 Ca 0.10 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2a24 h GLU 51 Cb 0.68 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2a24 h GLU 51 CO 0.05 0.73 0.16 -0.97 -0.73 0.00 0.00 179.01 178.24 2a24 h ASN 52 N 0.75 0.83 -0.78 1.04 -0.73 -1.81 0.47 115.58 115.35 2a24 h ASN 52 Ca 0.18 -0.22 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 2a24 h ASN 52 Cb 0.22 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 38.56 2a24 h ASN 52 CO -0.01 0.84 0.45 0.24 -0.37 0.00 0.00 177.43 178.57 2a24 h MET 53 N 0.79 1.08 -0.23 6.67 2.86 -0.79 0.39 114.93 125.71 2a24 h MET 53 Ca 0.18 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2a24 h MET 53 Cb 0.31 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2a24 h MET 53 CO -0.00 0.78 -0.12 1.15 1.06 0.00 0.00 176.91 179.78 2a24 h THR 54 N 1.10 1.31 -0.05 2.22 2.02 -0.62 -0.83 112.91 118.05 2a24 h THR 54 Ca 0.28 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 2a24 h THR 54 Cb 0.00 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2a24 h THR 54 CO -0.05 0.37 0.02 0.50 0.37 0.00 0.00 175.52 176.73 2a24 h LYS 55 N 0.20 0.08 -0.46 6.66 1.63 -0.41 0.13 116.57 124.39 2a24 h LYS 55 Ca 0.05 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2a24 h LYS 55 Cb 0.63 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.21 2a24 h LYS 55 CO 0.04 0.23 0.27 1.03 -3.45 0.00 0.00 179.45 177.56 2a24 h SER 56 N -0.09 0.43 -0.01 4.20 0.87 -0.27 -0.01 113.55 118.67 2a24 h SER 56 Ca 0.02 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2a24 h SER 56 Cb 0.18 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2a24 h SER 56 CO -0.00 0.30 0.00 -0.74 -0.53 0.00 0.00 176.83 175.87 2a24 h HIS 57 N 0.54 0.01 -0.49 2.24 -0.00 -0.97 0.51 115.15 116.99 2a24 h HIS 57 Ca 0.19 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.62 2a24 h HIS 57 Cb 0.03 -0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.38 2a24 h HIS 57 CO -0.07 0.09 0.18 0.37 -0.00 0.00 0.00 177.93 178.49 2a24 h GLN 58 N -0.07 0.35 -0.14 5.26 4.15 -0.44 -1.10 115.11 123.12 2a24 h GLN 58 Ca 0.00 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 2a24 h GLN 58 Cb 0.08 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2a24 h GLN 58 CO -0.00 0.23 -0.26 -0.97 -1.93 0.00 0.00 178.83 175.91 2a24 h ASN 59 N 0.36 0.47 -0.98 -0.69 -1.24 -0.82 -3.27 115.58 109.42 2a24 h ASN 59 Ca 0.23 -0.55 0.07 0.00 0.71 0.00 0.00 56.30 56.77 2a24 h ASN 59 Cb 0.24 -0.13 -0.07 0.00 0.73 0.00 0.00 38.32 39.08 2a24 h ASN 59 CO -0.23 0.93 0.62 0.25 -1.29 0.00 0.00 177.43 177.71 2a24 h LEU 60 N 0.03 0.98 -1.26 0.34 5.85 0.32 0.19 115.31 121.75 2a24 h LEU 60 Ca 0.01 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.84 2a24 h LEU 60 Cb 0.84 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 2a24 h LEU 60 CO 0.06 0.61 0.55 0.00 -0.34 0.00 0.00 178.44 179.32 2a24 n THR 62 N -4.52 1.45 -0.03 0.00 -1.04 -0.89 -4.55 114.28 104.70 2a24 n THR 62 Ca 0.14 -0.81 -0.13 0.00 -2.04 0.00 0.00 64.05 61.21 2a24 n THR 62 Cb 0.31 -0.72 -0.11 0.00 -1.82 0.00 0.00 70.33 67.99 2a24 n THR 62 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2a24 h LYS 63 N 0.00 -0.00 0.00 -2.82 1.79 -0.52 -3.48 116.57 111.54 2a24 h LYS 63 Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2a24 h LYS 63 Cb 2.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.81 2a24 h LYS 63 CO 0.03 0.68 0.00 0.41 -1.08 0.00 0.00 179.45 179.48 2a24 n GLY 64 N 0.75 2.03 3.44 3.86 0.00 -0.08 -5.02 105.19 110.17 2a24 n GLY 64 Ca -0.09 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 0.65 -0.23 1.61 0.74 -1.26 0.68 119.66 121.85 2a24 s GLN 65 Ca 0.00 0.70 -0.24 0.00 0.05 0.00 0.00 55.36 55.87 2a24 s GLN 65 Cb 0.00 0.32 0.07 0.00 1.10 0.00 0.00 33.01 34.49 2a24 s GLN 65 CO 0.00 -0.09 0.67 0.54 -0.55 0.00 0.00 175.29 175.86 2a24 s VAL 66 N 0.17 0.00 -0.27 1.34 0.11 -0.10 -4.92 120.40 116.73 2a24 s VAL 66 Ca -0.01 -0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 58.98 2a24 s VAL 66 Cb -0.04 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2a24 s VAL 66 CO 0.01 -0.00 0.03 -0.69 -3.33 0.00 0.00 175.10 171.12 2a24 s VAL 67 N 0.14 3.73 0.55 2.04 1.01 -1.26 -0.35 120.40 126.26 2a24 s VAL 67 Ca -0.02 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2a24 s VAL 67 Cb -0.04 -2.86 0.12 0.00 0.00 0.00 0.00 36.38 33.60 2a24 s VAL 67 CO 0.02 0.20 0.75 -1.20 0.00 0.00 0.00 175.10 174.86 2a24 n SER 68 N 4.83 0.53 -2.14 3.32 7.64 -0.21 -5.01 113.62 122.58 2a24 n SER 68 Ca -0.16 -1.56 -0.01 0.00 1.01 0.00 0.00 58.87 58.15 2a24 n SER 68 Cb 0.49 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2a24 n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a24 n GLY 69 N -0.29 3.00 3.64 0.23 0.00 -1.26 -4.39 105.19 106.12 2a24 n GLY 69 Ca 0.11 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.12 4.05 0.32 1.61 -0.21 -1.26 -3.96 119.66 118.10 2a24 s GLN 70 Ca 0.02 1.34 0.01 0.00 0.02 0.00 0.00 55.36 56.75 2a24 s GLN 70 Cb -0.00 -3.81 0.01 0.00 1.00 0.00 0.00 33.01 30.22 2a24 s GLN 70 CO 0.01 -0.94 0.11 2.48 -2.12 0.00 0.00 175.29 174.84 2a24 n TYR 71 N 7.12 -0.05 -3.75 0.91 0.18 0.28 -4.85 117.16 117.01 2a24 n TYR 71 Ca 0.14 -1.48 -0.37 0.00 1.88 0.00 0.00 57.90 58.07 2a24 n TYR 71 Cb 0.46 -0.24 -0.12 0.00 -0.38 0.00 0.00 39.34 39.07 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 -3.23 2.28 -0.03 -3.48 0.52 -1.26 -1.87 118.95 111.88 2a24 s ARG 72 Ca 0.09 -1.58 -0.28 0.00 -0.52 0.00 0.00 55.73 53.44 2a24 s ARG 72 Cb -0.01 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 2a24 s ARG 72 CO 0.06 -0.93 0.89 1.41 0.02 0.00 0.00 175.30 176.74 2a24 s MET 73 N 1.25 4.50 -0.18 3.54 -2.45 0.19 -4.31 119.30 121.85 2a24 s MET 73 Ca 0.04 1.23 -0.29 0.00 -1.25 0.00 0.00 55.69 55.41 2a24 s MET 73 Cb -0.22 -3.46 -0.03 0.00 1.25 0.00 0.00 34.83 32.37 2a24 s MET 73 CO -0.02 -0.04 1.47 -1.17 1.05 0.00 0.00 175.02 176.31 2a24 s LEU 74 N 1.04 4.08 0.78 4.11 2.96 -1.25 0.20 118.68 130.59 2a24 s LEU 74 Ca 0.47 1.73 -0.07 0.00 -0.22 0.00 0.00 54.13 56.03 2a24 s LEU 74 Cb -0.20 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.08 2a24 s LEU 74 CO 0.24 -1.00 1.09 0.00 -1.32 0.00 0.00 176.35 175.36 2a24 s ALA 75 N 4.27 3.09 0.00 5.97 0.00 0.13 -4.94 121.76 130.29 2a24 s ALA 75 Ca 0.64 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2a24 s ALA 75 Cb -0.25 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2a24 s ALA 75 CO 0.24 -1.65 0.92 1.17 0.00 0.00 0.00 175.76 176.44 2a24 n LYS 76 N -3.11 0.82 -0.86 0.00 4.81 0.39 -2.76 118.16 117.45 2a24 n LYS 76 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.51 2a24 n LYS 76 Cb 0.60 -1.09 -0.05 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 0.71 0.00 -0.86 5.64 1.44 -1.26 -4.98 115.22 115.92 2a24 n HIS 77 Ca 0.00 -0.35 0.00 0.00 -2.01 0.00 0.00 57.72 55.36 2a24 n HIS 77 Cb 0.41 0.41 0.00 0.00 0.12 0.00 0.00 29.99 30.93 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 0.01 0.70 3.89 -1.39 0.00 -1.11 -4.99 105.19 102.29 2a24 n GLY 78 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 1.62 -0.25 -0.02 0.00 -1.26 -4.80 107.32 100.61 2a24 s GLY 79 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.26 2a24 s GLY 79 CO 0.00 -0.07 -0.02 -0.19 0.00 0.00 0.00 173.10 172.83 2a24 s TYR 80 N -3.41 2.25 -0.05 1.90 2.02 0.36 0.21 117.35 120.64 2a24 s TYR 80 Ca 0.59 -1.73 -0.23 0.00 -0.37 0.00 0.00 57.07 55.32 2a24 s TYR 80 Cb -0.11 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 2a24 s TYR 80 CO 0.50 -0.78 0.70 0.08 -1.57 0.00 0.00 175.55 174.49 2a24 s VAL 81 N 1.44 5.01 -0.32 0.71 1.01 0.13 0.23 120.40 128.62 2a24 s VAL 81 Ca -0.02 1.46 -0.26 0.00 0.00 0.00 0.00 61.98 63.15 2a24 s VAL 81 Cb -0.18 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2a24 s VAL 81 CO -0.09 0.27 0.94 0.26 0.00 0.00 0.00 175.10 176.49 2a24 s TRP 82 N 0.66 3.17 0.01 5.22 0.52 -1.25 0.57 118.94 127.85 2a24 s TRP 82 Ca 0.37 1.00 -0.01 0.00 0.02 0.00 0.00 56.10 57.49 2a24 s TRP 82 Cb -0.18 -3.48 -0.01 0.00 -1.15 0.00 0.00 33.47 28.65 2a24 s TRP 82 CO 0.19 -0.68 0.00 -0.51 0.02 0.00 0.00 176.95 175.97 2a24 s LEU 83 N 3.33 2.08 -0.15 2.99 1.02 -0.78 -3.78 118.68 123.39 2a24 s LEU 83 Ca 0.39 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 54.19 2a24 s LEU 83 Cb -0.13 0.16 -0.02 0.00 0.02 0.00 0.00 46.19 46.22 2a24 s LEU 83 CO 0.14 -0.24 -0.07 -1.83 0.02 0.00 0.00 176.35 174.37 2a24 s GLU 84 N -1.08 3.52 -0.09 1.70 -1.05 0.60 -0.55 118.70 121.74 2a24 s GLU 84 Ca -0.12 -0.60 0.01 0.00 -0.15 0.00 0.00 54.97 54.12 2a24 s GLU 84 Cb -0.07 -2.81 -0.02 0.00 -0.44 0.00 0.00 34.13 30.78 2a24 s GLU 84 CO -0.00 0.18 -0.13 0.99 0.95 0.00 0.00 175.26 177.25 2a24 s THR 85 N 0.49 3.12 -0.35 1.83 2.01 -1.25 0.12 115.64 121.60 2a24 s THR 85 Ca -0.06 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.19 2a24 s THR 85 Cb -0.15 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.12 2a24 s THR 85 CO 0.03 0.56 0.15 -1.58 -0.69 0.00 0.00 174.62 173.09 2a24 s GLN 86 N -0.18 2.80 -0.10 4.92 0.74 0.09 -1.04 119.66 126.89 2a24 s GLN 86 Ca 0.00 -1.08 -0.13 0.00 0.05 0.00 0.00 55.36 54.20 2a24 s GLN 86 Cb -0.13 -3.58 -0.05 0.00 1.10 0.00 0.00 33.01 30.35 2a24 s GLN 86 CO 0.03 -0.65 0.31 0.20 -0.55 0.00 0.00 175.29 174.64 2a24 s GLY 87 N 1.49 2.30 -0.13 2.59 0.00 0.53 -1.25 107.32 112.86 2a24 s GLY 87 Ca 0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.30 2a24 s GLY 87 CO 0.05 0.22 0.14 -1.59 0.00 0.00 0.00 173.10 171.91 2a24 s THR 88 N -0.29 -0.20 -0.27 0.90 2.01 0.14 -0.92 115.64 117.00 2a24 s THR 88 Ca 0.19 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.17 2a24 s THR 88 Cb -0.14 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 2a24 s THR 88 CO 0.07 -0.05 0.32 -0.69 -0.69 0.00 0.00 174.62 173.59 2a24 s VAL 89 N 2.23 5.21 -0.15 3.82 1.01 0.21 -0.14 120.40 132.60 2a24 s VAL 89 Ca 0.04 0.44 -0.23 0.00 0.00 0.00 0.00 61.98 62.23 2a24 s VAL 89 Cb -0.14 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2a24 s VAL 89 CO -0.08 0.18 0.72 -0.51 0.00 0.00 0.00 175.10 175.42 2a24 s ILE 90 N 1.98 4.98 0.04 2.22 1.10 -0.41 -4.81 121.20 126.30 2a24 s ILE 90 Ca 0.13 1.43 -0.17 0.00 -0.51 0.00 0.00 60.65 61.52 2a24 s ILE 90 Cb -0.16 -4.04 -0.06 0.00 0.15 0.00 0.00 42.46 38.35 2a24 s ILE 90 CO 0.10 0.12 0.49 -0.31 -2.11 0.00 0.00 174.94 173.24 2a24 s TYR 91 N 1.65 3.77 -0.12 3.50 2.02 -1.26 -0.12 117.35 126.79 2a24 s TYR 91 Ca 0.35 1.13 -0.29 0.00 -0.37 0.00 0.00 57.07 57.89 2a24 s TYR 91 Cb -0.17 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 2a24 s TYR 91 CO 0.13 0.62 1.50 1.21 -1.57 0.00 0.00 175.55 177.44 2a24 s ASN 92 N -1.11 6.73 0.00 2.29 3.84 0.10 -4.82 114.94 121.97 2a24 s ASN 92 Ca 0.27 1.96 -0.02 0.00 0.21 0.00 0.00 52.86 55.27 2a24 s ASN 92 Cb -0.18 -2.53 -0.11 0.00 -0.55 0.00 0.00 41.25 37.88 2a24 s ASN 92 CO 0.16 -0.91 2.48 -0.81 -2.79 0.00 0.00 177.10 175.24 2a24 n PRO 93 N 7.01 1.30 0.07 0.43 -0.04 -1.26 -1.09 135.00 141.42 2a24 n PRO 93 Ca 0.16 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2a24 n PRO 93 Cb 0.44 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2a24 n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2a24 n ARG 94 N 1.98 0.00 0.00 0.54 1.74 -1.26 -4.89 116.66 114.77 2a24 n ARG 94 Ca 0.17 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.35 2a24 n ARG 94 Cb 0.62 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.00 2a24 n ARG 94 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2a24 n ASN 95 N -2.89 0.98 -3.26 0.55 4.13 -1.23 -5.01 115.26 108.52 2a24 n ASN 95 Ca 0.00 -0.91 -0.12 0.00 1.68 0.00 0.00 54.58 55.22 2a24 n ASN 95 Cb 0.00 0.86 0.04 0.00 -1.54 0.00 0.00 39.78 39.14 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 -1.43 -5.53 -3.78 3.41 7.99 -0.25 -5.04 117.00 112.37 2a24 n LEU 96 Ca 0.05 -0.54 -0.11 0.00 -0.01 0.00 0.00 56.01 55.39 2a24 n LEU 96 Cb 0.34 -3.08 -0.08 0.00 -0.11 0.00 0.00 43.42 40.49 2a24 n LEU 96 CO 0.41 -0.27 -0.01 -1.10 -1.51 0.00 0.00 177.39 174.92 2a24 s GLN 97 N -4.14 0.77 -0.02 3.23 -1.52 -1.24 -4.92 119.66 111.82 2a24 s GLN 97 Ca 0.28 -0.53 -0.32 0.00 -1.95 0.00 0.00 55.36 52.84 2a24 s GLN 97 Cb -0.05 0.33 -0.11 0.00 -0.22 0.00 0.00 33.01 32.96 2a24 s GLN 97 CO 0.77 -0.24 1.91 -0.35 -0.25 0.00 0.00 175.29 177.13 2a24 n PRO 98 N 0.64 2.50 -0.08 2.91 -0.04 -1.26 0.00 135.00 139.68 2a24 n PRO 98 Ca -0.19 0.92 -0.07 0.00 -0.04 0.00 0.00 63.50 64.12 2a24 n PRO 98 Cb 0.59 -2.81 -0.02 0.00 -0.04 0.00 0.00 33.50 31.22 2a24 n PRO 98 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2a24 n GLN 99 N 6.85 0.48 -4.10 0.54 -0.06 0.83 -4.83 117.38 117.09 2a24 n GLN 99 Ca 0.21 0.41 -0.16 0.00 -2.00 0.00 0.00 57.00 55.46 2a24 n GLN 99 Cb 0.35 -1.60 -0.15 0.00 -4.06 0.00 0.00 30.24 24.78 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 0.16 4.85 -0.06 0.00 1.01 0.12 -1.29 121.20 125.99 2a24 s ILE 101 Ca -0.01 -1.08 -0.28 0.00 0.00 0.00 0.00 60.65 59.27 2a24 s ILE 101 Cb -0.05 -4.50 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 2a24 s ILE 101 CO -0.00 -1.14 0.92 -0.04 0.00 0.00 0.00 174.94 174.68 2a24 s MET 102 N 2.57 4.47 -0.21 2.79 -1.94 0.79 -0.75 119.30 127.03 2a24 s MET 102 Ca 0.12 1.26 -0.01 0.00 -1.71 0.00 0.00 55.69 55.35 2a24 s MET 102 Cb -0.23 -3.49 0.06 0.00 2.01 0.00 0.00 34.83 33.18 2a24 s MET 102 CO 0.05 -0.13 -0.01 0.00 -0.01 0.00 0.00 175.02 174.92 2a24 s VAL 104 N 1.65 4.92 -0.37 0.00 1.01 -0.38 -2.52 120.40 124.72 2a24 s VAL 104 Ca -0.03 0.80 -0.13 0.00 0.00 0.00 0.00 61.98 62.62 2a24 s VAL 104 Cb -0.18 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2a24 s VAL 104 CO -0.07 -0.18 0.25 0.20 0.00 0.00 0.00 175.10 175.30 2a24 s ASN 105 N 1.68 6.01 -0.22 3.32 0.01 -0.62 -0.73 114.94 124.38 2a24 s ASN 105 Ca 0.25 -0.65 -0.13 0.00 -0.71 0.00 0.00 52.86 51.63 2a24 s ASN 105 Cb -0.15 -2.13 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 2a24 s ASN 105 CO 0.13 -0.32 0.25 -0.31 -1.51 0.00 0.00 177.10 175.34 2a24 s TYR 106 N 1.69 3.34 -0.06 2.20 1.51 0.12 -3.13 117.35 123.02 2a24 s TYR 106 Ca 0.05 0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.50 2a24 s TYR 106 Cb -0.18 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.27 2a24 s TYR 106 CO 0.10 0.05 -0.06 0.54 -1.11 0.00 0.00 175.55 175.06 2a24 s VAL 107 N 1.12 3.77 0.23 0.71 0.11 -1.26 -0.30 120.40 124.78 2a24 s VAL 107 Ca 0.12 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 2a24 s VAL 107 Cb -0.14 -2.55 0.00 0.00 -1.53 0.00 0.00 36.38 32.16 2a24 s VAL 107 CO 0.06 0.58 0.00 0.18 -3.33 0.00 0.00 175.10 172.59 2a24 n LEU 108 N 2.16 0.00 -4.78 2.54 4.77 -1.25 -4.84 117.00 115.61 2a24 n LEU 108 Ca -0.18 0.38 -0.35 0.00 -0.03 0.00 0.00 56.01 55.83 2a24 n LEU 108 Cb 0.53 0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.88 2a24 n LEU 108 CO 0.27 -0.75 0.77 -0.44 -1.33 0.00 0.00 177.39 175.92 2a24 s SER 109 N -4.98 5.90 0.96 -1.43 0.01 -1.26 -5.03 113.70 107.87 2a24 s SER 109 Ca 0.00 2.12 -0.13 0.00 1.31 0.00 0.00 55.95 59.25 2a24 s SER 109 Cb 0.00 -2.58 0.17 0.00 0.21 0.00 0.00 66.02 63.82 2a24 s SER 109 CO 0.00 -1.10 1.13 -1.83 0.41 0.00 0.00 173.24 171.85 2a24 s GLU 110 N -3.25 0.73 0.06 12.44 -1.05 -1.26 -4.25 118.70 122.11 2a24 s GLU 110 Ca 0.71 0.30 -0.31 0.00 -0.15 0.00 0.00 54.97 55.53 2a24 s GLU 110 Cb -0.22 -1.79 -0.08 0.00 -0.44 0.00 0.00 34.13 31.60 2a24 s GLU 110 CO 0.25 -2.48 1.56 0.42 0.95 0.00 0.00 175.26 175.96 2a24 s ILE 111 N -3.19 3.23 -2.00 1.83 1.01 -1.26 -4.16 121.20 116.66 2a24 s ILE 111 Ca 0.65 0.69 0.31 0.00 0.00 0.00 0.00 60.65 62.30 2a24 s ILE 111 Cb -0.15 -3.44 0.87 0.00 0.01 0.00 0.00 42.46 39.75 2a24 s ILE 111 CO 0.55 0.00 2.16 1.21 0.00 0.00 0.00 174.94 178.86