#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 -0.05 0.22 -0.18 2.01 -1.26 -1.20 115.64 115.18 2a24 s THR 7 Ca 0.00 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.20 2a24 s THR 7 Cb 0.00 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.29 2a24 s THR 7 CO 0.00 0.07 0.03 0.72 -0.69 0.00 0.00 174.62 174.75 2a24 s PHE 8 N 1.03 1.45 -0.27 4.92 -0.71 -0.90 -4.99 117.98 118.51 2a24 s PHE 8 Ca -0.08 -1.03 -0.08 0.00 -1.04 0.00 0.00 56.93 54.70 2a24 s PHE 8 Cb -0.11 -0.84 -0.01 0.00 -1.21 0.00 0.00 43.02 40.84 2a24 s PHE 8 CO -0.04 -0.18 0.09 -1.17 -1.34 0.00 0.00 175.22 172.58 2a24 s LEU 9 N -3.27 3.68 -0.67 -1.99 1.98 -1.26 -0.49 118.68 116.66 2a24 s LEU 9 Ca 0.30 -0.41 -0.13 0.00 -2.89 0.00 0.00 54.13 51.01 2a24 s LEU 9 Cb 0.06 -1.93 0.17 0.00 0.66 0.00 0.00 46.19 45.16 2a24 s LEU 9 CO 0.09 -0.11 0.59 -0.44 -1.89 0.00 0.00 176.35 174.59 2a24 s SER 10 N 1.58 6.26 0.14 3.68 0.01 0.11 -3.30 113.70 122.18 2a24 s SER 10 Ca 0.05 -2.34 -0.30 0.00 1.31 0.00 0.00 55.95 54.67 2a24 s SER 10 Cb -0.16 -2.14 -0.07 0.00 0.21 0.00 0.00 66.02 63.87 2a24 s SER 10 CO 0.04 -0.65 1.00 -0.60 0.41 0.00 0.00 173.24 173.44 2a24 s ARG 11 N 0.72 4.68 0.07 12.44 3.52 -1.17 -2.01 118.95 137.21 2a24 s ARG 11 Ca 0.12 1.53 0.04 0.00 -0.13 0.00 0.00 55.73 57.29 2a24 s ARG 11 Cb -0.19 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 2a24 s ARG 11 CO -0.04 0.20 -0.12 -1.01 -0.81 0.00 0.00 175.30 173.52 2a24 s HIS 12 N -0.14 1.06 0.10 5.12 3.76 -0.57 -3.66 115.29 120.96 2a24 s HIS 12 Ca 0.47 -0.53 -0.14 0.00 -0.15 0.00 0.00 55.06 54.71 2a24 s HIS 12 Cb -0.25 -0.59 0.03 0.00 1.11 0.00 0.00 32.58 32.87 2a24 s HIS 12 CO 0.31 0.01 0.35 -1.12 -0.85 0.00 0.00 174.74 173.44 2a24 s SER 13 N -1.93 -0.15 1.70 1.40 0.01 -0.84 -3.80 113.70 110.10 2a24 s SER 13 Ca -0.01 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2a24 s SER 13 Cb -0.08 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2a24 s SER 13 CO 0.01 -0.79 0.00 0.23 0.41 0.00 0.00 173.24 173.10 2a24 n MET 14 N -0.06 0.00 -0.29 12.44 2.81 -1.26 -1.45 117.12 129.32 2a24 n MET 14 Ca -0.16 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.70 2a24 n MET 14 Cb 0.63 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.15 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 9.35 4.00 -1.38 7.83 5.75 -1.26 -4.71 116.55 136.14 2a24 n ASP 15 Ca 0.00 -2.30 -0.15 0.00 -0.01 0.00 0.00 54.79 52.33 2a24 n ASP 15 Cb 0.00 -0.75 -0.05 0.00 -1.03 0.00 0.00 41.12 39.29 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 0.69 -1.12 -1.48 0.11 0.00 -0.53 -4.96 117.12 109.83 2a24 n MET 16 Ca 0.06 0.94 -0.29 0.00 -0.00 0.00 0.00 57.70 58.40 2a24 n MET 16 Cb 0.58 -5.16 0.12 0.00 0.00 0.00 0.00 33.22 28.75 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 -3.80 1.58 -0.56 2.12 -2.85 -0.60 -4.57 119.74 111.07 2a24 s LYS 17 Ca 0.00 0.55 -0.25 0.00 -1.00 0.00 0.00 55.97 55.27 2a24 s LYS 17 Cb 0.00 -1.87 0.04 0.00 -2.06 0.00 0.00 37.83 33.94 2a24 s LYS 17 CO 0.00 -1.95 0.98 -0.06 0.10 0.00 0.00 175.35 174.42 2a24 s PHE 18 N -3.15 2.76 -0.12 1.78 0.08 -1.21 -1.99 117.98 116.13 2a24 s PHE 18 Ca 0.62 0.03 0.06 0.00 0.12 0.00 0.00 56.93 57.76 2a24 s PHE 18 Cb -0.15 -4.15 -0.24 0.00 -0.57 0.00 0.00 43.02 37.91 2a24 s PHE 18 CO 0.54 -1.40 0.38 0.25 -0.10 0.00 0.00 175.22 174.89 2a24 n THR 19 N 6.25 1.63 -3.84 0.64 -2.24 -1.24 -0.90 114.28 114.57 2a24 n THR 19 Ca 0.02 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 60.95 2a24 n THR 19 Cb 0.48 -1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 67.36 2a24 n THR 19 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2a24 s TYR 20 N -2.56 -0.07 0.11 4.78 5.04 -1.26 -4.81 117.35 118.58 2a24 s TYR 20 Ca -0.15 0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.66 2a24 s TYR 20 Cb 0.07 0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.35 2a24 s TYR 20 CO 0.78 -0.21 -0.09 0.00 -1.34 0.00 0.00 175.55 174.69 2a24 s ASP 22 N -2.69 5.57 0.02 0.00 -1.08 -1.21 -4.88 116.67 112.40 2a24 s ASP 22 Ca 0.09 0.71 0.22 0.00 -0.52 0.00 0.00 52.55 53.04 2a24 s ASP 22 Cb -0.00 -1.69 -0.19 0.00 -1.46 0.00 0.00 42.92 39.58 2a24 s ASP 22 CO -0.01 -1.08 0.75 -0.90 0.52 0.00 0.00 175.17 174.46 2a24 n ASP 23 N -2.59 0.42 0.18 -0.34 5.75 -1.26 -4.09 116.55 114.62 2a24 n ASP 23 Ca 0.05 -0.18 0.14 0.00 -0.01 0.00 0.00 54.79 54.78 2a24 n ASP 23 Cb 0.58 1.36 0.45 0.00 -1.03 0.00 0.00 41.12 42.48 2a24 n ASP 23 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2a24 h ARG 24 N 0.00 0.00 0.00 0.11 2.47 -1.96 -3.04 114.38 111.97 2a24 h ARG 24 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2a24 h ARG 24 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 2a24 h ARG 24 CO 0.00 0.00 0.00 0.97 0.56 0.00 0.00 179.97 181.50 2a24 h ILE 25 N 0.00 0.00 0.00 2.04 2.10 -1.88 -2.88 117.51 116.89 2a24 h ILE 25 Ca 0.00 -0.33 -0.04 0.00 1.08 0.00 0.00 64.86 65.58 2a24 h ILE 25 Cb 0.63 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.51 2a24 h ILE 25 CO 0.00 0.00 -0.19 0.74 -1.08 0.00 0.00 178.15 177.62 2a24 h THR 26 N 0.00 0.71 0.00 2.19 2.02 -1.60 0.60 112.91 116.82 2a24 h THR 26 Ca 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 2a24 h THR 26 Cb 0.41 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2a24 h THR 26 CO 0.00 0.18 -0.61 -0.62 0.37 0.00 0.00 175.52 174.84 2a24 n GLU 27 N -3.70 0.25 -0.01 6.66 1.02 -1.09 -2.95 120.64 120.82 2a24 n GLU 27 Ca -0.01 0.07 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 2a24 n GLU 27 Cb 0.30 -1.65 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.01 0.36 0.10 -4.62 4.77 -0.83 -4.76 117.00 110.01 2a24 n LEU 28 Ca 0.04 0.06 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 2a24 n LEU 28 Cb 0.42 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.90 2a24 n LEU 28 CO 0.36 -0.47 -0.09 0.40 -1.33 0.00 0.00 177.39 176.26 2a24 h ILE 29 N -0.17 1.45 0.00 -0.08 1.08 -1.14 -3.46 117.51 115.19 2a24 h ILE 29 Ca 0.00 -3.02 0.00 0.00 -0.39 0.00 0.00 64.86 61.45 2a24 h ILE 29 Cb 0.17 2.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.85 2a24 h ILE 29 CO 0.00 0.88 0.00 0.61 -0.69 0.00 0.00 178.15 178.95 2a24 n GLY 30 N 1.56 0.61 3.83 5.37 0.00 -0.91 -0.37 105.19 115.28 2a24 n GLY 30 Ca -0.10 0.00 -0.35 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 -2.39 3.56 0.21 1.61 2.02 -1.26 -4.88 117.35 116.22 2a24 s TYR 31 Ca 0.00 1.22 -0.23 0.00 -0.37 0.00 0.00 57.07 57.69 2a24 s TYR 31 Cb 0.00 -2.50 -0.08 0.00 -0.40 0.00 0.00 41.96 38.97 2a24 s TYR 31 CO 0.00 0.30 0.77 -1.01 -1.57 0.00 0.00 175.55 174.05 2a24 s HIS 32 N -1.63 3.76 0.20 2.71 3.76 -1.26 -3.68 115.29 119.14 2a24 s HIS 32 Ca 0.44 1.54 -0.13 0.00 -0.15 0.00 0.00 55.06 56.77 2a24 s HIS 32 Cb -0.14 -2.72 0.24 0.00 1.11 0.00 0.00 32.58 31.07 2a24 s HIS 32 CO 0.20 0.39 1.66 -1.00 -0.85 0.00 0.00 174.74 175.13 2a24 h PRO 33 N 3.75 0.07 0.00 8.40 0.13 -1.90 0.81 132.00 143.25 2a24 h PRO 33 Ca -0.47 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2a24 h PRO 33 Cb 1.20 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2a24 h PRO 33 CO 0.65 0.04 -0.01 1.05 -0.23 0.00 0.00 178.00 179.50 2a24 h GLU 34 N 0.07 0.00 0.00 0.86 9.09 -1.91 -2.28 114.58 120.41 2a24 h GLU 34 Ca 0.29 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.57 2a24 h GLU 34 Cb 0.46 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.54 2a24 h GLU 34 CO -0.53 0.01 -0.82 0.93 0.05 0.00 0.00 179.01 178.66 2a24 h GLU 35 N 0.00 0.00 0.19 1.06 4.39 -1.26 -3.34 114.58 115.62 2a24 h GLU 35 Ca -0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 2a24 h GLU 35 Cb 0.43 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2a24 h GLU 35 CO 0.00 0.46 -1.58 -0.07 -1.16 0.00 0.00 179.01 176.66 2a24 h LEU 36 N 0.00 0.63 -9.91 1.33 3.38 -0.77 -3.46 115.31 106.51 2a24 h LEU 36 Ca -0.05 -0.92 -0.50 0.00 0.09 0.00 0.00 57.88 56.49 2a24 h LEU 36 Cb 1.46 -0.21 0.04 0.00 0.09 0.00 0.00 40.66 42.04 2a24 h LEU 36 CO 0.06 1.72 0.49 -1.48 0.09 0.00 0.00 178.44 179.32 2a24 s LEU 37 N -7.45 4.29 0.00 1.67 0.05 -0.93 -3.44 118.68 112.87 2a24 s LEU 37 Ca -0.15 2.29 0.00 0.00 0.05 0.00 0.00 54.13 56.32 2a24 s LEU 37 Cb 0.05 -3.93 0.00 0.00 -2.05 0.00 0.00 46.19 40.26 2a24 s LEU 37 CO 0.86 -0.49 0.00 0.61 -0.55 0.00 0.00 176.35 176.78 2a24 n GLY 38 N 0.73 0.79 3.30 -3.48 0.00 -0.08 -4.93 105.19 101.51 2a24 n GLY 38 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.65 1.44 -0.04 1.61 1.70 -1.22 -5.04 118.95 116.75 2a24 s ARG 39 Ca 0.00 -1.79 -0.30 0.00 -0.47 0.00 0.00 55.73 53.17 2a24 s ARG 39 Cb 0.00 -0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.24 2a24 s ARG 39 CO 0.00 -0.37 1.20 -1.12 -1.08 0.00 0.00 175.30 173.93 2a24 s SER 40 N -3.31 7.05 0.17 -2.89 0.01 -1.26 -3.35 113.70 110.12 2a24 s SER 40 Ca 0.37 1.84 0.04 0.00 1.31 0.00 0.00 55.95 59.51 2a24 s SER 40 Cb 0.07 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 2a24 s SER 40 CO 0.15 -0.57 1.38 0.00 0.41 0.00 0.00 173.24 174.61 2a24 h ALA 41 N 7.39 0.53 0.00 1.44 0.00 -1.91 -3.17 119.26 123.55 2a24 h ALA 41 Ca -0.35 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2a24 h ALA 41 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2a24 h ALA 41 CO 0.87 0.95 0.00 0.66 0.00 0.00 0.00 179.25 181.73 2a24 n TYR 42 N -3.63 0.00 0.22 0.00 4.01 -1.26 -0.96 117.16 115.54 2a24 n TYR 42 Ca -0.03 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.82 2a24 n TYR 42 Cb 0.81 -0.39 0.30 0.00 -0.31 0.00 0.00 39.34 39.75 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 -1.95 -3.33 114.58 112.97 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 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2a24 h GLU 43 CO 0.00 0.13 0.00 1.97 -1.16 0.00 0.00 179.01 179.95 2a24 n PHE 44 N -3.17 0.00 -2.49 4.33 1.16 -0.82 -5.00 117.46 111.47 2a24 n PHE 44 Ca 0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.20 2a24 n PHE 44 Cb 0.50 0.00 -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 0.71 -1.87 0.00 0.00 176.76 175.60 2a24 s TYR 45 N -0.02 2.30 0.06 2.97 2.02 -0.13 -4.02 117.35 120.53 2a24 s TYR 45 Ca 0.00 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 2a24 s TYR 45 Cb 0.00 -4.58 0.00 0.00 -0.40 0.00 0.00 41.96 36.98 2a24 s TYR 45 CO 0.00 -2.03 0.00 0.72 -1.57 0.00 0.00 175.55 172.67 2a24 n HIS 46 N 9.71 -1.95 0.04 2.71 8.25 -1.26 -4.60 115.22 128.12 2a24 n HIS 46 Ca 0.17 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2a24 n HIS 46 Cb 0.50 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.74 1.71 0.70 -1.41 0.00 -1.26 -4.76 120.51 114.75 2a24 n ALA 47 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2a24 n ALA 47 Cb 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.71 0.84 -0.79 0.00 -0.00 -1.26 -4.37 117.00 108.71 2a24 n LEU 48 Ca 0.00 -0.54 0.06 0.00 -0.00 0.00 0.00 56.01 55.52 2a24 n LEU 48 Cb 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 43.58 2a24 n LEU 48 CO 0.00 0.20 0.30 -0.90 -0.00 0.00 0.00 177.39 176.98 2a24 n ASP 49 N -1.15 1.55 -0.05 1.45 5.75 -1.26 -4.77 116.55 118.07 2a24 n ASP 49 Ca 0.03 -3.41 -0.10 0.00 -0.01 0.00 0.00 54.79 51.30 2a24 n ASP 49 Cb 0.25 -0.47 0.04 0.00 -1.03 0.00 0.00 41.12 39.91 2a24 n ASP 49 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2a24 h SER 50 N 0.95 0.77 -0.41 -1.12 4.64 -1.81 -2.99 113.55 113.58 2a24 h SER 50 Ca -0.05 -0.36 0.04 0.00 -0.47 0.00 0.00 61.79 60.94 2a24 h SER 50 Cb 1.22 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 2a24 h SER 50 CO 0.02 1.10 0.27 -0.08 -0.87 0.00 0.00 176.83 177.27 2a24 h GLU 51 N 0.57 0.40 0.00 4.77 4.81 -1.92 0.44 114.58 123.65 2a24 h GLU 51 Ca 0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2a24 h GLU 51 Cb 0.99 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 2a24 h GLU 51 CO 0.09 0.26 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.69 2a24 h ASN 52 N 0.41 0.00 0.23 1.04 4.21 -1.89 -2.06 115.58 117.52 2a24 h ASN 52 Ca 0.17 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.33 2a24 h ASN 52 Cb 0.15 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 2a24 h ASN 52 CO -0.04 0.04 -1.81 -0.03 -1.29 0.00 0.00 177.43 174.30 2a24 h MET 53 N 0.00 0.29 -0.74 0.81 4.05 -1.00 -3.03 114.93 115.31 2a24 h MET 53 Ca -0.00 -0.50 -0.04 0.00 -0.28 0.00 0.00 59.70 58.88 2a24 h MET 53 Cb 0.36 0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 2a24 h MET 53 CO 0.01 1.19 0.30 1.79 0.23 0.00 0.00 176.91 180.42 2a24 h THR 54 N 0.08 1.25 -0.16 -0.77 1.35 -1.11 -1.18 112.91 112.37 2a24 h THR 54 Ca -0.36 -0.78 -0.05 0.00 -0.55 0.00 0.00 66.41 64.67 2a24 h THR 54 Cb 2.06 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2a24 h THR 54 CO 0.13 0.32 -0.09 0.11 -0.25 0.00 0.00 175.52 175.74 2a24 h LYS 55 N 1.08 0.34 -0.59 4.72 6.56 -1.52 -3.05 116.57 124.11 2a24 h LYS 55 Ca 0.25 -0.15 0.03 0.00 -1.06 0.00 0.00 60.65 59.72 2a24 h LYS 55 Cb 0.20 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.82 2a24 h LYS 55 CO -0.02 0.67 0.39 0.77 -2.06 0.00 0.00 179.45 179.20 2a24 h SER 56 N 0.00 0.60 -0.50 0.86 0.02 -1.38 -1.98 113.55 111.17 2a24 h SER 56 Ca 0.03 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2a24 h SER 56 Cb 0.57 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2a24 h SER 56 CO 0.03 0.41 0.27 -0.74 -1.14 0.00 0.00 176.83 175.66 2a24 h HIS 57 N 0.70 0.49 -0.14 3.45 -0.00 -1.11 0.34 115.15 118.87 2a24 h HIS 57 Ca 0.23 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.61 2a24 h HIS 57 Cb 0.07 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 2a24 h HIS 57 CO -0.00 0.25 0.02 1.96 -0.00 0.00 0.00 177.93 180.16 2a24 h GLN 58 N 0.52 0.24 -0.44 5.26 1.08 -1.33 -1.63 115.11 118.82 2a24 h GLN 58 Ca 0.22 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2a24 h GLN 58 Cb 0.11 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2a24 h GLN 58 CO -0.14 0.44 0.22 -0.97 -0.95 0.00 0.00 178.83 177.43 2a24 h ASN 59 N 0.01 0.57 -0.41 1.46 -0.73 -1.14 -2.38 115.58 112.96 2a24 h ASN 59 Ca 0.04 -0.12 0.03 0.00 1.87 0.00 0.00 56.30 58.12 2a24 h ASN 59 Cb 0.32 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.73 2a24 h ASN 59 CO 0.00 0.53 0.21 0.25 -0.37 0.00 0.00 177.43 178.05 2a24 h LEU 60 N 0.57 0.31 -0.80 0.34 5.85 -0.24 0.46 115.31 121.80 2a24 h LEU 60 Ca 0.15 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2a24 h LEU 60 Cb 0.10 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2a24 h LEU 60 CO -0.02 0.23 0.00 0.00 -0.34 0.00 0.00 178.44 178.31 2a24 n THR 62 N -2.31 1.37 0.08 0.00 -1.04 -0.62 -4.61 114.28 107.14 2a24 n THR 62 Ca 0.02 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.05 61.51 2a24 n THR 62 Cb 0.23 -1.75 -0.06 0.00 -1.82 0.00 0.00 70.33 66.94 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 -0.73 0.37 0.00 -2.82 3.11 -0.18 -3.48 116.57 112.84 2a24 h LYS 63 Ca -0.62 -0.42 0.00 0.00 -2.81 0.00 0.00 60.65 56.80 2a24 h LYS 63 Cb 1.61 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.96 2a24 h LYS 63 CO -0.33 1.11 0.00 0.41 -2.81 0.00 0.00 179.45 177.83 2a24 n GLY 64 N 1.03 2.05 3.41 5.01 0.00 0.01 -5.05 105.19 111.66 2a24 n GLY 64 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.54 0.98 -0.03 1.61 0.74 -1.23 0.22 119.66 121.41 2a24 s GLN 65 Ca 0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 55.36 55.32 2a24 s GLN 65 Cb 0.00 0.45 0.01 0.00 1.10 0.00 0.00 33.01 34.57 2a24 s GLN 65 CO 0.00 -0.33 0.09 0.54 -0.55 0.00 0.00 175.29 175.04 2a24 s VAL 66 N -1.82 0.00 -0.78 1.34 0.11 0.59 -4.54 120.40 115.31 2a24 s VAL 66 Ca -0.09 -0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.89 2a24 s VAL 66 Cb -0.01 -0.14 0.20 0.00 -1.53 0.00 0.00 36.38 34.89 2a24 s VAL 66 CO 0.03 -0.02 0.65 -0.69 -3.33 0.00 0.00 175.10 171.75 2a24 s VAL 67 N -0.00 4.41 -0.02 2.04 1.01 -1.26 -1.84 120.40 124.73 2a24 s VAL 67 Ca -0.01 -3.20 -0.25 0.00 0.00 0.00 0.00 61.98 58.52 2a24 s VAL 67 Cb -0.01 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2a24 s VAL 67 CO 0.00 -0.99 0.77 -0.44 0.00 0.00 0.00 175.10 174.44 2a24 s SER 68 N 0.71 7.12 0.79 3.32 0.01 0.60 -4.98 113.70 121.27 2a24 s SER 68 Ca 0.21 1.35 -0.03 0.00 1.31 0.00 0.00 55.95 58.79 2a24 s SER 68 Cb -0.14 -2.46 0.07 0.00 0.21 0.00 0.00 66.02 63.70 2a24 s SER 68 CO -0.07 -0.10 0.42 0.61 0.41 0.00 0.00 173.24 174.50 2a24 n GLY 69 N 2.86 -0.40 3.65 3.44 0.00 -1.26 -0.28 105.19 113.19 2a24 n GLY 69 Ca -0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2a24 n GLY 69 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2a24 s GLN 70 N -3.72 3.96 0.24 1.61 -2.07 -1.26 -4.11 119.66 114.31 2a24 s GLN 70 Ca 0.25 2.34 0.00 0.00 -1.82 0.00 0.00 55.36 56.13 2a24 s GLN 70 Cb -0.01 -4.15 -0.00 0.00 -1.09 0.00 0.00 33.01 27.76 2a24 s GLN 70 CO 0.17 -1.15 0.00 2.48 -1.32 0.00 0.00 175.29 175.47 2a24 n TYR 71 N 8.20 0.57 -3.56 9.60 0.18 0.04 -4.82 117.16 127.37 2a24 n TYR 71 Ca 0.21 -1.20 -0.41 0.00 1.88 0.00 0.00 57.90 58.37 2a24 n TYR 71 Cb 0.42 -0.16 -0.09 0.00 -0.38 0.00 0.00 39.34 39.13 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 -2.88 2.68 -0.18 -3.48 0.52 -1.26 -2.20 118.95 112.15 2a24 s ARG 72 Ca 0.00 -1.44 -0.11 0.00 -0.52 0.00 0.00 55.73 53.66 2a24 s ARG 72 Cb 0.00 -3.85 -0.05 0.00 0.52 0.00 0.00 34.95 31.57 2a24 s ARG 72 CO 0.00 -0.97 0.20 1.41 0.02 0.00 0.00 175.30 175.96 2a24 s MET 73 N 1.47 4.16 0.15 3.54 1.75 -0.25 -4.07 119.30 126.04 2a24 s MET 73 Ca 0.03 -0.08 -0.30 0.00 -1.25 0.00 0.00 55.69 54.09 2a24 s MET 73 Cb -0.23 -3.40 -0.07 0.00 2.84 0.00 0.00 34.83 33.97 2a24 s MET 73 CO 0.03 0.32 1.03 -1.17 -0.65 0.00 0.00 175.02 174.58 2a24 s LEU 74 N 0.28 4.50 0.53 4.11 2.96 -1.26 -0.02 118.68 129.79 2a24 s LEU 74 Ca 0.12 1.94 0.02 0.00 -0.22 0.00 0.00 54.13 56.00 2a24 s LEU 74 Cb -0.12 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.01 2a24 s LEU 74 CO 0.01 -0.13 0.75 0.00 -1.32 0.00 0.00 176.35 175.65 2a24 s ALA 75 N -0.14 4.00 0.16 5.97 0.00 -0.73 -4.92 121.76 126.10 2a24 s ALA 75 Ca 0.48 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 2a24 s ALA 75 Cb -0.26 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 20.89 2a24 s ALA 75 CO 0.32 -0.70 1.62 -0.22 0.00 0.00 0.00 175.76 176.79 2a24 h LYS 76 N 0.15 0.90 -0.80 0.00 3.64 -1.03 -2.57 116.57 116.86 2a24 h LYS 76 Ca -0.41 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 58.56 2a24 h LYS 76 Cb 1.29 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 2a24 h LYS 76 CO 0.50 0.91 0.17 -2.39 -2.27 0.00 0.00 179.45 176.37 2a24 n HIS 77 N -4.33 1.81 0.00 1.91 1.44 -1.26 -5.02 115.22 109.77 2a24 n HIS 77 Ca 0.01 -0.87 0.00 0.00 -2.01 0.00 0.00 57.72 54.85 2a24 n HIS 77 Cb 0.30 -0.53 0.00 0.00 0.12 0.00 0.00 29.99 29.88 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 -1.09 0.00 -1.39 0.00 -0.97 -5.12 105.19 96.68 2a24 n GLY 78 Ca 0.29 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.14 2.54 2.96 -0.02 0.00 -1.26 -4.19 105.19 104.08 2a24 n GLY 79 Ca 0.00 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.96 2.69 -0.12 1.61 2.02 0.68 -1.77 117.35 119.50 2a24 s TYR 80 Ca 0.00 -2.02 -0.25 0.00 -0.37 0.00 0.00 57.07 54.43 2a24 s TYR 80 Cb 0.00 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2a24 s TYR 80 CO 0.00 -0.82 0.78 0.08 -1.57 0.00 0.00 175.55 174.01 2a24 s VAL 81 N 1.29 4.95 -0.78 0.71 1.01 0.97 -0.00 120.40 128.56 2a24 s VAL 81 Ca -0.03 1.56 -0.26 0.00 0.00 0.00 0.00 61.98 63.24 2a24 s VAL 81 Cb -0.19 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.13 2a24 s VAL 81 CO -0.07 0.13 1.28 0.26 0.00 0.00 0.00 175.10 176.70 2a24 s TRP 82 N 1.53 2.34 -0.01 5.22 0.52 -1.21 -1.09 118.94 126.24 2a24 s TRP 82 Ca 0.38 -0.20 0.07 0.00 0.02 0.00 0.00 56.10 56.37 2a24 s TRP 82 Cb -0.17 -4.62 -0.02 0.00 -1.15 0.00 0.00 33.47 27.51 2a24 s TRP 82 CO 0.16 -2.03 -0.21 -0.51 0.02 0.00 0.00 176.95 174.37 2a24 s LEU 83 N 5.52 2.05 0.48 2.99 1.02 -0.94 -2.10 118.68 127.70 2a24 s LEU 83 Ca 0.36 -0.39 0.02 0.00 0.02 0.00 0.00 54.13 54.14 2a24 s LEU 83 Cb -0.07 -1.08 0.01 0.00 0.02 0.00 0.00 46.19 45.07 2a24 s LEU 83 CO 0.11 0.25 0.68 -1.61 0.02 0.00 0.00 176.35 175.80 2a24 s GLU 84 N -0.55 2.82 -0.15 1.70 2.02 0.29 -0.78 118.70 124.04 2a24 s GLU 84 Ca 0.08 -0.76 -0.07 0.00 0.02 0.00 0.00 54.97 54.24 2a24 s GLU 84 Cb -0.08 -2.58 0.06 0.00 0.10 0.00 0.00 34.13 31.63 2a24 s GLU 84 CO -0.01 -0.42 0.35 0.99 0.02 0.00 0.00 175.26 176.19 2a24 s THR 85 N -2.58 -0.25 -0.82 3.63 2.01 0.62 -0.20 115.64 118.04 2a24 s THR 85 Ca 0.53 0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.62 2a24 s THR 85 Cb -0.10 -0.54 0.21 0.00 0.01 0.00 0.00 72.50 72.08 2a24 s THR 85 CO 0.37 0.07 0.72 -1.58 -0.69 0.00 0.00 174.62 173.50 2a24 s GLN 86 N 1.86 3.29 -0.01 4.92 2.00 0.13 -0.29 119.66 131.56 2a24 s GLN 86 Ca -0.05 -2.81 -0.24 0.00 -2.00 0.00 0.00 55.36 50.26 2a24 s GLN 86 Cb -0.10 -4.11 -0.05 0.00 0.80 0.00 0.00 33.01 29.55 2a24 s GLN 86 CO -0.11 -1.24 0.72 0.20 -0.50 0.00 0.00 175.29 174.36 2a24 s GLY 87 N 0.98 2.70 -0.06 2.59 0.00 -0.77 -1.38 107.32 111.39 2a24 s GLY 87 Ca 0.22 0.20 0.01 0.00 0.00 0.00 0.00 44.72 45.15 2a24 s GLY 87 CO -0.08 1.10 -0.06 -1.59 0.00 0.00 0.00 173.10 172.48 2a24 s THR 88 N 0.30 0.67 -0.70 0.90 2.01 0.66 -0.30 115.64 119.18 2a24 s THR 88 Ca 0.38 -0.18 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 2a24 s THR 88 Cb -0.19 -0.68 0.09 0.00 0.01 0.00 0.00 72.50 71.73 2a24 s THR 88 CO 0.20 0.26 0.93 -0.69 -0.69 0.00 0.00 174.62 174.63 2a24 s VAL 89 N 1.02 4.55 -0.34 3.82 1.01 0.13 -1.34 120.40 129.25 2a24 s VAL 89 Ca -0.09 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 2a24 s VAL 89 Cb -0.14 -4.65 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 2a24 s VAL 89 CO -0.00 -1.38 0.49 -0.63 0.00 0.00 0.00 175.10 173.58 2a24 s ILE 90 N 3.39 5.05 0.58 2.22 1.01 -1.05 -4.88 121.20 127.52 2a24 s ILE 90 Ca 0.21 0.34 -0.15 0.00 0.00 0.00 0.00 60.65 61.05 2a24 s ILE 90 Cb -0.16 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 2a24 s ILE 90 CO 0.05 -0.17 1.03 -0.31 0.00 0.00 0.00 174.94 175.54 2a24 s TYR 91 N 2.33 3.23 -0.32 3.97 1.51 -1.26 -0.71 117.35 126.09 2a24 s TYR 91 Ca 0.18 1.47 -0.08 0.00 -1.01 0.00 0.00 57.07 57.62 2a24 s TYR 91 Cb -0.16 -2.89 0.01 0.00 -0.11 0.00 0.00 41.96 38.82 2a24 s TYR 91 CO 0.13 -0.81 0.13 1.21 -1.11 0.00 0.00 175.55 175.09 2a24 s ASN 92 N -3.10 5.39 0.32 2.29 2.47 -0.60 -4.79 114.94 116.92 2a24 s ASN 92 Ca 0.61 -0.78 0.21 0.00 0.42 0.00 0.00 52.86 53.31 2a24 s ASN 92 Cb -0.13 -1.94 1.13 0.00 -1.45 0.00 0.00 41.25 38.86 2a24 s ASN 92 CO 0.38 -0.25 1.63 -0.81 -3.72 0.00 0.00 177.10 174.32 2a24 n PRO 93 N 4.91 0.13 0.00 0.43 -0.04 -1.26 0.86 135.00 140.04 2a24 n PRO 93 Ca -0.13 0.63 0.14 0.00 -0.04 0.00 0.00 63.50 64.09 2a24 n PRO 93 Cb 0.47 -1.97 0.48 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.23 1.71 0.00 0.54 5.12 -1.26 -4.31 116.66 116.22 2a24 n ARG 94 Ca -0.01 -1.05 0.00 0.00 -1.93 0.00 0.00 57.85 54.86 2a24 n ARG 94 Cb 0.05 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 2a24 n ARG 94 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2a24 n ASN 95 N 0.27 0.00 -2.86 0.55 2.85 0.16 -5.04 115.26 111.19 2a24 n ASN 95 Ca 0.18 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.47 2a24 n ASN 95 Cb 0.38 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.46 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 -0.07 -3.08 -3.68 1.20 7.99 0.25 -5.01 117.00 114.60 2a24 n LEU 96 Ca 0.00 -0.41 -0.11 0.00 -0.01 0.00 0.00 56.01 55.48 2a24 n LEU 96 Cb 0.00 -2.43 -0.06 0.00 -0.11 0.00 0.00 43.42 40.82 2a24 n LEU 96 CO 0.00 0.50 0.12 0.00 -1.51 0.00 0.00 177.39 176.50 2a24 s GLN 97 N -5.99 0.97 -0.51 3.23 1.03 -1.24 -4.95 119.66 112.18 2a24 s GLN 97 Ca 0.44 -0.59 -0.27 0.00 0.04 0.00 0.00 55.36 54.99 2a24 s GLN 97 Cb -0.20 0.42 -0.04 0.00 0.03 0.00 0.00 33.01 33.22 2a24 s GLN 97 CO 0.55 -0.35 2.12 -1.25 -2.54 0.00 0.00 175.29 173.82 2a24 s PRO 98 N -3.21 2.48 -0.06 9.60 0.04 -1.26 -1.55 135.00 141.03 2a24 s PRO 98 Ca -0.01 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.15 2a24 s PRO 98 Cb 0.01 -4.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.05 2a24 s PRO 98 CO -0.08 -2.87 -0.05 0.94 0.04 0.00 0.00 177.00 174.98 2a24 n GLN 99 N 9.02 0.37 -1.80 4.56 7.27 -1.17 -4.45 117.38 131.18 2a24 n GLN 99 Ca 0.28 0.03 -0.34 0.00 0.07 0.00 0.00 57.00 57.04 2a24 n GLN 99 Cb 0.52 -1.12 -0.01 0.00 2.41 0.00 0.00 30.24 32.04 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 -3.42 3.70 -0.22 0.00 1.01 -1.25 -2.52 121.20 118.50 2a24 s ILE 101 Ca 0.54 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 2a24 s ILE 101 Cb 0.37 -4.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 2a24 s ILE 101 CO -0.28 -1.66 0.20 -0.04 0.00 0.00 0.00 174.94 173.16 2a24 s MET 102 N 5.83 4.13 -0.41 2.79 -1.94 -0.45 -1.50 119.30 127.74 2a24 s MET 102 Ca 0.46 -0.16 -0.03 0.00 -1.71 0.00 0.00 55.69 54.25 2a24 s MET 102 Cb -0.06 -3.50 0.11 0.00 2.01 0.00 0.00 34.83 33.39 2a24 s MET 102 CO 0.07 0.11 0.21 0.00 -0.01 0.00 0.00 175.02 175.41 2a24 s VAL 104 N 1.15 3.86 -0.28 0.00 1.01 -0.48 -0.71 120.40 124.94 2a24 s VAL 104 Ca 0.08 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 2a24 s VAL 104 Cb -0.23 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2a24 s VAL 104 CO -0.04 -0.52 0.48 0.20 0.00 0.00 0.00 175.10 175.22 2a24 s ASN 105 N 4.00 6.37 -0.39 3.32 -0.87 0.35 0.19 114.94 127.91 2a24 s ASN 105 Ca 0.65 0.38 -0.18 0.00 -1.57 0.00 0.00 52.86 52.14 2a24 s ASN 105 Cb -0.18 -2.26 0.01 0.00 -0.02 0.00 0.00 41.25 38.79 2a24 s ASN 105 CO 0.29 -0.29 0.48 -0.31 -2.57 0.00 0.00 177.10 174.70 2a24 s TYR 106 N 2.27 3.16 -1.05 2.20 2.02 0.72 -2.12 117.35 124.54 2a24 s TYR 106 Ca 0.19 -0.08 -0.20 0.00 -0.37 0.00 0.00 57.07 56.61 2a24 s TYR 106 Cb -0.16 -2.94 0.09 0.00 -0.40 0.00 0.00 41.96 38.55 2a24 s TYR 106 CO 0.10 -0.63 1.40 0.08 -1.57 0.00 0.00 175.55 174.93 2a24 s VAL 107 N 2.31 4.29 -0.13 0.71 1.01 -0.34 -0.55 120.40 127.71 2a24 s VAL 107 Ca 0.16 -1.35 -0.26 0.00 0.00 0.00 0.00 61.98 60.53 2a24 s VAL 107 Cb -0.16 -4.98 -0.26 0.00 0.00 0.00 0.00 36.38 30.97 2a24 s VAL 107 CO 0.14 -1.80 0.72 0.25 0.00 0.00 0.00 175.10 174.42 2a24 h LEU 108 N 11.77 0.12 -9.11 3.92 5.85 -1.84 -3.30 115.31 122.72 2a24 h LEU 108 Ca 0.23 -0.93 -0.64 0.00 0.84 0.00 0.00 57.88 57.39 2a24 h LEU 108 Cb 0.98 -0.04 -0.17 0.00 0.37 0.00 0.00 40.66 41.80 2a24 h LEU 108 CO 1.32 1.17 -0.80 -0.44 -0.34 0.00 0.00 178.44 179.36 2a24 s SER 109 N -6.50 3.59 0.77 1.25 0.01 -0.89 -5.03 113.70 106.89 2a24 s SER 109 Ca -0.19 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2a24 s SER 109 Cb -0.01 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2a24 s SER 109 CO 0.71 0.10 0.00 -1.84 0.41 0.00 0.00 173.24 172.63 2a24 n GLU 110 N 0.06 0.26 -2.01 12.44 0.28 -1.26 -3.60 120.64 126.81 2a24 n GLU 110 Ca -0.11 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.46 2a24 n GLU 110 Cb 0.57 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.41 2a24 n GLU 110 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2a24 s ILE 111 N -0.64 3.53 -1.63 3.84 1.01 -1.26 -3.32 121.20 122.73 2a24 s ILE 111 Ca 0.00 0.58 0.13 0.00 0.00 0.00 0.00 60.65 61.36 2a24 s ILE 111 Cb 0.00 -3.59 0.10 0.00 0.01 0.00 0.00 42.46 38.98 2a24 s ILE 111 CO 0.00 -0.29 0.91 1.21 0.00 0.00 0.00 174.94 176.77