#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pil s LYS 2 N 0.00 0.57 -0.12 0.03 -0.14 -0.11 -3.59 119.74 116.39 1pil s LYS 2 Ca 0.00 -0.91 -0.03 0.00 -1.36 0.00 0.00 55.97 53.67 1pil s LYS 2 Cb 0.00 -0.16 -0.03 0.00 -1.68 0.00 0.00 37.83 35.96 1pil s LYS 2 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 175.35 174.80 1pil s LYS 3 N -2.31 3.32 -0.14 1.68 2.20 0.12 -0.75 119.74 123.85 1pil s LYS 3 Ca -0.04 -0.42 -0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1pil s LYS 3 Cb -0.05 -2.89 -0.01 0.00 -1.51 0.00 0.00 37.83 33.37 1pil s LYS 3 CO -0.02 0.52 -0.13 0.42 -0.36 0.00 0.00 175.35 175.78 1pil s ILE 4 N -0.37 2.98 -0.32 5.43 1.01 0.80 -0.60 121.20 130.13 1pil s ILE 4 Ca 0.07 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1pil s ILE 4 Cb -0.12 -2.26 0.09 0.00 0.01 0.00 0.00 42.46 40.17 1pil s ILE 4 CO 0.02 0.51 0.01 -1.81 0.00 0.00 0.00 174.94 173.68 1pil s ASP 5 N 0.56 4.72 -0.18 3.58 1.11 0.00 -2.37 116.67 124.10 1pil s ASP 5 Ca -0.08 -1.88 -0.03 0.00 0.18 0.00 0.00 52.55 50.74 1pil s ASP 5 Cb -0.16 -1.63 -0.02 0.00 1.07 0.00 0.00 42.92 42.19 1pil s ASP 5 CO 0.04 -0.33 -0.06 0.00 1.18 0.00 0.00 175.17 176.00 1pil s ALA 6 N 1.00 2.84 -0.41 5.23 0.00 -0.91 -1.46 121.76 128.04 1pil s ALA 6 Ca 0.04 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 1pil s ALA 6 Cb -0.20 -1.55 0.08 0.00 0.00 0.00 0.00 23.12 21.45 1pil s ALA 6 CO -0.06 -0.06 0.24 0.42 0.00 0.00 0.00 175.76 176.30 1pil s ILE 7 N 0.85 4.00 0.52 0.00 1.09 -0.96 -0.48 121.20 126.21 1pil s ILE 7 Ca -0.02 -1.52 0.07 0.00 -1.10 0.00 0.00 60.65 58.08 1pil s ILE 7 Cb -0.15 -3.49 0.03 0.00 -1.06 0.00 0.00 42.46 37.79 1pil s ILE 7 CO 0.01 -0.53 0.45 0.27 -0.10 0.00 0.00 174.94 175.05 1pil s ILE 8 N 1.37 1.96 0.12 2.92 -4.36 -0.32 -3.57 121.20 119.31 1pil s ILE 8 Ca 0.03 -1.39 -0.30 0.00 -0.26 0.00 0.00 60.65 58.73 1pil s ILE 8 Cb -0.23 -2.35 -0.06 0.00 1.25 0.00 0.00 42.46 41.06 1pil s ILE 8 CO 0.01 0.00 1.09 -0.54 0.24 0.00 0.00 174.94 175.74 1pil s LYS 9 N -4.30 4.56 0.58 0.37 1.02 -1.26 -2.42 119.74 118.29 1pil s LYS 9 Ca 0.41 1.66 0.32 0.00 0.02 0.00 0.00 55.97 58.38 1pil s LYS 9 Cb -0.03 -3.33 1.41 0.00 -0.52 0.00 0.00 37.83 35.37 1pil s LYS 9 CO 0.25 -0.00 1.75 -1.35 -0.92 0.00 0.00 175.35 175.09 1pil h PRO 10 N 5.76 0.00 -0.00 -1.68 0.11 -1.89 -1.94 132.00 132.36 1pil h PRO 10 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pil h PRO 10 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pil h PRO 10 CO 0.75 0.00 -0.13 1.97 -0.21 0.00 0.00 178.00 180.37 1pil n PHE 11 N -3.80 0.00 0.20 0.65 -1.74 -1.26 -3.62 117.46 107.89 1pil n PHE 11 Ca 0.18 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.18 1pil n PHE 11 Cb 1.05 -0.25 0.02 0.00 1.52 0.00 0.00 39.48 41.82 1pil n PHE 11 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1pil n LYS 12 N -1.14 0.54 -0.33 3.97 4.76 -0.73 -4.50 118.16 120.73 1pil n LYS 12 Ca 0.12 0.10 0.08 0.00 -2.87 0.00 0.00 58.31 55.74 1pil n LYS 12 Cb 0.29 -1.78 0.18 0.00 -1.84 0.00 0.00 35.03 31.88 1pil n LYS 12 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1pil n LEU 13 N -2.53 -0.25 -0.11 -0.35 0.00 -1.24 -1.43 117.00 111.10 1pil n LEU 13 Ca 0.00 1.57 -0.11 0.00 0.00 0.00 0.00 56.01 57.47 1pil n LEU 13 Cb 0.53 -0.51 -0.03 0.00 0.00 0.00 0.00 43.42 43.41 1pil n LEU 13 CO 0.40 -1.54 0.75 0.44 0.00 0.00 0.00 177.39 177.44 1pil h ASP 14 N 0.00 0.58 -0.39 1.96 5.19 -1.86 0.28 116.42 122.18 1pil h ASP 14 Ca 0.48 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 1pil h ASP 14 Cb 0.84 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 1pil h ASP 14 CO -0.91 0.78 0.11 0.44 -3.12 0.00 0.00 179.24 176.54 1pil h ASP 15 N 0.37 0.64 0.01 6.45 3.32 -1.58 0.07 116.42 125.70 1pil h ASP 15 Ca 0.09 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1pil h ASP 15 Cb 0.50 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1pil h ASP 15 CO 0.02 0.63 -0.01 0.58 -1.72 0.00 0.00 179.24 178.75 1pil h VAL 16 N 0.67 1.52 -0.99 -1.35 2.07 -1.09 -2.07 116.25 115.00 1pil h VAL 16 Ca 0.15 -1.72 0.13 0.00 0.82 0.00 0.00 66.70 66.09 1pil h VAL 16 Cb 0.25 2.66 -0.09 0.00 -1.52 0.00 0.00 31.29 32.59 1pil h VAL 16 CO -0.00 0.44 0.62 -0.09 0.02 0.00 0.00 177.57 178.56 1pil h ARG 17 N -0.77 0.90 -0.13 1.57 2.43 -0.23 -0.81 114.38 117.33 1pil h ARG 17 Ca -0.00 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 1pil h ARG 17 Cb 0.73 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1pil h ARG 17 CO 0.00 0.60 -0.29 1.49 -1.51 0.00 0.00 179.97 180.26 1pil h GLU 18 N 0.93 0.43 -0.61 0.20 4.81 -1.04 -2.47 114.58 116.82 1pil h GLU 18 Ca 0.51 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1pil h GLU 18 Cb 0.58 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1pil h GLU 18 CO -0.28 0.89 0.29 0.00 -0.73 0.00 0.00 179.01 179.18 1pil h ALA 19 N 0.53 1.36 0.00 2.92 0.00 -0.61 -1.39 119.26 122.07 1pil h ALA 19 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1pil h ALA 19 Cb 0.89 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1pil h ALA 19 CO 0.06 0.50 -0.51 -0.07 0.00 0.00 0.00 179.25 179.23 1pil h LEU 20 N 0.86 0.00 -1.10 0.00 3.38 -1.22 -2.71 115.31 114.52 1pil h LEU 20 Ca 0.21 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1pil h LEU 20 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1pil h LEU 20 CO -0.03 0.51 -0.20 0.00 0.09 0.00 0.00 178.44 178.82 1pil h ALA 21 N 1.49 1.25 -0.19 1.53 0.00 -0.79 -1.43 119.26 121.12 1pil h ALA 21 Ca -0.01 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 1pil h ALA 21 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1pil h ALA 21 CO 0.07 0.49 -0.68 0.93 0.00 0.00 0.00 179.25 180.06 1pil h GLU 22 N 0.36 0.76 -0.13 0.00 4.39 -1.08 -3.20 114.58 115.68 1pil h GLU 22 Ca 0.06 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1pil h GLU 22 Cb 0.55 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1pil h GLU 22 CO 0.04 1.17 0.00 1.33 -1.16 0.00 0.00 179.01 180.39 1pil n VAL 23 N -3.95 0.00 -0.51 3.13 0.24 -1.07 -4.83 118.33 111.34 1pil n VAL 23 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1pil n VAL 23 Cb 0.69 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1pil n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pil n GLY 24 N 0.28 0.75 3.76 7.63 0.00 -1.21 -5.06 105.19 111.33 1pil n GLY 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1pil n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pil s ILE 25 N -2.32 4.22 0.02 -0.61 1.09 -0.56 -5.04 121.20 118.00 1pil s ILE 25 Ca 0.00 1.96 0.03 0.00 -1.10 0.00 0.00 60.65 61.54 1pil s ILE 25 Cb 0.00 -4.27 -0.01 0.00 -1.06 0.00 0.00 42.46 37.12 1pil s ILE 25 CO 0.00 0.48 -0.09 0.28 -0.10 0.00 0.00 174.94 175.51 1pil s THR 26 N -1.01 0.70 0.00 2.92 -1.32 -1.26 -4.41 115.64 111.26 1pil s THR 26 Ca 0.40 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 1pil s THR 26 Cb -0.25 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 1pil s THR 26 CO 0.30 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.31 1pil n GLY 27 N 2.29 -3.36 3.44 6.08 0.00 -1.26 -5.03 105.19 107.35 1pil n GLY 27 Ca -0.17 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1pil n GLY 27 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pil s MET 28 N -2.85 0.71 -0.08 1.61 1.75 -1.26 -4.85 119.30 114.33 1pil s MET 28 Ca 0.00 0.59 0.03 0.00 -1.25 0.00 0.00 55.69 55.06 1pil s MET 28 Cb 0.00 0.34 0.01 0.00 2.84 0.00 0.00 34.83 38.02 1pil s MET 28 CO 0.00 -0.13 -0.16 0.95 -0.65 0.00 0.00 175.02 175.04 1pil s THR 29 N -0.10 1.42 -0.15 10.11 -4.23 -1.10 -5.00 115.64 116.59 1pil s THR 29 Ca -0.03 -0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 1pil s THR 29 Cb -0.03 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.51 1pil s THR 29 CO 0.02 0.42 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.77 1pil s VAL 30 N 0.62 3.60 -0.06 2.29 1.01 -1.26 -1.83 120.40 124.78 1pil s VAL 30 Ca -0.15 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1pil s VAL 30 Cb -0.16 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1pil s VAL 30 CO 0.04 0.50 -0.17 -0.89 0.00 0.00 0.00 175.10 174.58 1pil s THR 31 N 0.43 2.78 -0.28 3.92 2.01 0.08 -4.97 115.64 119.61 1pil s THR 31 Ca -0.06 -0.81 -0.14 0.00 0.31 0.00 0.00 61.69 60.99 1pil s THR 31 Cb -0.15 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1pil s THR 31 CO 0.04 0.58 0.31 -1.61 -0.69 0.00 0.00 174.62 173.24 1pil s GLU 32 N -0.46 3.96 0.40 4.92 2.02 -1.26 -0.18 118.70 128.10 1pil s GLU 32 Ca 0.06 -0.11 0.06 0.00 0.02 0.00 0.00 54.97 55.00 1pil s GLU 32 Cb -0.12 -3.67 -0.07 0.00 0.10 0.00 0.00 34.13 30.37 1pil s GLU 32 CO 0.02 -0.26 0.02 0.14 0.02 0.00 0.00 175.26 175.19 1pil s VAL 33 N 1.96 1.83 -0.25 2.63 -7.23 -0.70 -4.98 120.40 113.67 1pil s VAL 33 Ca 0.12 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.19 1pil s VAL 33 Cb -0.16 -2.94 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 1pil s VAL 33 CO 0.10 0.00 0.15 -0.54 -0.31 0.00 0.00 175.10 174.50 1pil s LYS 34 N -3.75 3.97 -0.12 4.82 -0.14 -1.26 -0.52 119.74 122.74 1pil s LYS 34 Ca 0.34 -0.32 -0.14 0.00 -1.36 0.00 0.00 55.97 54.50 1pil s LYS 34 Cb 0.09 -3.51 -0.05 0.00 -1.68 0.00 0.00 37.83 32.69 1pil s LYS 34 CO 0.17 -0.02 0.31 0.20 -0.76 0.00 0.00 175.35 175.25 1pil s GLY 35 N 1.26 2.27 -0.10 -3.33 0.00 0.99 -4.87 107.32 103.54 1pil s GLY 35 Ca 0.07 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.41 1pil s GLY 35 CO 0.06 0.32 -0.19 -1.36 0.00 0.00 0.00 173.10 171.92 1pil s PHE 36 N 0.03 2.19 0.00 1.90 0.08 -1.26 -1.17 117.98 119.75 1pil s PHE 36 Ca 0.18 -0.93 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1pil s PHE 36 Cb -0.14 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1pil s PHE 36 CO 0.06 -0.42 0.00 0.41 -0.10 0.00 0.00 175.22 175.17 1pil n GLY 37 N 3.78 -0.04 3.50 4.36 0.00 -1.26 -5.04 105.19 110.48 1pil n GLY 37 Ca -0.20 -1.80 -0.15 0.00 0.00 0.00 0.00 46.02 43.87 1pil n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pil n ARG 38 N 0.10 -1.43 -4.06 1.61 5.12 -1.26 -4.99 116.66 111.74 1pil n ARG 38 Ca 0.00 1.04 -0.13 0.00 -1.93 0.00 0.00 57.85 56.83 1pil n ARG 38 Cb 0.00 -3.76 -0.12 0.00 -1.16 0.00 0.00 32.46 27.42 1pil n ARG 38 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1pil s GLN 39 N -4.22 0.51 0.45 5.56 0.74 -1.26 -3.80 119.66 117.63 1pil s GLN 39 Ca 0.02 -0.71 -0.25 0.00 0.05 0.00 0.00 55.36 54.46 1pil s GLN 39 Cb -0.01 -0.27 -0.08 0.00 1.10 0.00 0.00 33.01 33.75 1pil s GLN 39 CO 0.84 0.05 1.43 0.21 -0.55 0.00 0.00 175.29 177.27 1pil s LYS 40 N -1.48 3.70 0.00 1.67 2.20 -1.26 -2.07 119.74 122.50 1pil s LYS 40 Ca -0.10 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 1pil s LYS 40 Cb -0.10 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 1pil s LYS 40 CO 0.00 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.59 1pil n GLY 41 N 0.57 2.55 3.49 5.54 0.00 -1.26 -4.95 105.19 111.13 1pil n GLY 41 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1pil n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pil s HIS 42 N -2.23 2.42 0.00 1.61 3.76 -0.88 -5.00 115.29 114.97 1pil s HIS 42 Ca 0.00 -0.31 0.08 0.00 -0.15 0.00 0.00 55.06 54.69 1pil s HIS 42 Cb 0.00 -1.16 0.14 0.00 1.11 0.00 0.00 32.58 32.67 1pil s HIS 42 CO 0.00 0.55 0.96 0.25 -0.85 0.00 0.00 174.74 175.66 1pil n THR 43 N -0.05 0.00 -3.77 1.30 -2.24 -1.26 -4.46 114.28 103.79 1pil n THR 43 Ca -0.10 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 1pil n THR 43 Cb 0.57 0.57 -0.14 0.00 -2.10 0.00 0.00 70.33 69.22 1pil n THR 43 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1pil s GLU 44 N 0.00 0.08 0.40 -0.78 1.03 -1.26 -5.08 118.70 113.08 1pil s GLU 44 Ca 0.11 0.29 0.00 0.00 0.03 0.00 0.00 54.97 55.40 1pil s GLU 44 Cb 0.13 -0.13 -0.02 0.00 -0.80 0.00 0.00 34.13 33.31 1pil s GLU 44 CO -0.05 -0.13 0.61 -1.17 -1.33 0.00 0.00 175.26 173.19 1pil s LEU 45 N 0.86 3.85 0.00 1.83 0.20 -1.26 -4.55 118.68 119.61 1pil s LEU 45 Ca -0.07 0.42 0.00 0.00 0.69 0.00 0.00 54.13 55.18 1pil s LEU 45 Cb -0.09 -3.30 0.00 0.00 -0.43 0.00 0.00 46.19 42.37 1pil s LEU 45 CO -0.04 -0.47 0.00 0.00 -0.29 0.00 0.00 176.35 175.55 1pil n TYR 46 N -1.93 0.00 0.00 5.38 9.36 -1.26 -4.76 117.16 123.94 1pil n TYR 46 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1pil n TYR 46 Cb 0.57 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.28 1pil n TYR 46 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1pil n ARG 47 N 0.00 0.00 0.00 2.98 0.63 -1.26 -4.41 116.66 114.60 1pil n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1pil n ARG 47 Cb 0.00 -3.49 0.00 0.00 0.45 0.00 0.00 32.46 29.42 1pil n ARG 47 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pil n GLY 48 N -1.48 1.72 5.00 5.14 0.00 -1.26 -4.89 105.19 109.42 1pil n GLY 48 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1pil n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pil n ALA 49 N 0.00 0.00 0.00 4.61 0.00 -1.26 -4.83 120.51 119.03 1pil n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pil n ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pil n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pil n GLU 50 N 0.00 0.00 -0.02 0.00 2.13 -1.26 -3.68 120.64 117.80 1pil n GLU 50 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1pil n GLU 50 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 1pil n GLU 50 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1pil n TYR 51 N 0.00 0.00 -2.81 4.31 4.02 -1.26 -5.00 117.16 116.43 1pil n TYR 51 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.60 1pil n TYR 51 Cb 0.00 -0.41 -0.02 0.00 -0.02 0.00 0.00 39.34 38.89 1pil n TYR 51 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1pil s MET 52 N -2.81 3.68 0.18 -0.72 -1.94 -1.24 -5.09 119.30 111.36 1pil s MET 52 Ca -0.06 0.33 0.04 0.00 -1.71 0.00 0.00 55.69 54.30 1pil s MET 52 Cb 0.08 -2.40 -0.03 0.00 2.01 0.00 0.00 34.83 34.48 1pil s MET 52 CO 0.58 -0.08 0.25 0.14 -0.01 0.00 0.00 175.02 175.89 1pil s VAL 53 N -2.49 4.98 -1.73 -6.03 -7.23 -1.26 -4.71 120.40 101.93 1pil s VAL 53 Ca 0.49 -0.94 0.14 0.00 -1.81 0.00 0.00 61.98 59.87 1pil s VAL 53 Cb -0.10 -3.60 0.16 0.00 0.56 0.00 0.00 36.38 33.40 1pil s VAL 53 CO 0.36 -0.17 1.02 0.47 -0.31 0.00 0.00 175.10 176.47 1pil n ASP 54 N -0.73 2.37 -4.75 4.85 9.92 -1.26 -5.02 116.55 121.93 1pil n ASP 54 Ca -0.08 -1.67 -0.26 0.00 -0.53 0.00 0.00 54.79 52.26 1pil n ASP 54 Cb 0.55 -0.05 -0.06 0.00 -0.64 0.00 0.00 41.12 40.92 1pil n ASP 54 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1pil s PHE 55 N -1.18 3.02 -0.18 1.24 -0.12 -1.26 -4.55 117.98 114.94 1pil s PHE 55 Ca 0.19 -0.08 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1pil s PHE 55 Cb 0.13 -1.44 0.02 0.00 -0.63 0.00 0.00 43.02 41.10 1pil s PHE 55 CO 0.19 0.52 -0.19 -0.51 -0.05 0.00 0.00 175.22 175.18 1pil s LEU 56 N -3.15 2.20 0.30 -1.99 2.01 -0.32 -4.91 118.68 112.82 1pil s LEU 56 Ca 0.30 -0.62 -0.30 0.00 0.01 0.00 0.00 54.13 53.52 1pil s LEU 56 Cb -0.09 -1.50 -0.12 0.00 0.01 0.00 0.00 46.19 44.49 1pil s LEU 56 CO 0.22 0.01 1.58 -0.81 1.01 0.00 0.00 176.35 178.35 1pil n PRO 57 N 4.58 2.68 -4.56 1.29 -0.04 -1.26 -0.01 135.00 137.67 1pil n PRO 57 Ca -0.21 0.95 -0.26 0.00 -0.04 0.00 0.00 63.50 63.94 1pil n PRO 57 Cb 0.50 -2.72 -0.09 0.00 -0.04 0.00 0.00 33.50 31.15 1pil n PRO 57 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1pil s LYS 58 N -0.65 1.92 -0.11 0.54 -0.14 0.32 -4.57 119.74 117.05 1pil s LYS 58 Ca 0.63 -2.16 0.00 0.00 -1.36 0.00 0.00 55.97 53.08 1pil s LYS 58 Cb -0.50 -0.97 0.02 0.00 -1.68 0.00 0.00 37.83 34.71 1pil s LYS 58 CO 0.50 -0.34 -0.09 0.08 -0.76 0.00 0.00 175.35 174.73 1pil s VAL 59 N -3.12 1.11 -0.21 3.17 1.01 -1.02 -1.72 120.40 119.63 1pil s VAL 59 Ca 0.24 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1pil s VAL 59 Cb 0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1pil s VAL 59 CO 0.12 0.38 0.07 -0.75 0.00 0.00 0.00 175.10 174.93 1pil s LYS 60 N 1.52 3.88 -0.02 2.72 2.20 0.75 -1.18 119.74 129.61 1pil s LYS 60 Ca 0.02 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.26 1pil s LYS 60 Cb -0.13 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1pil s LYS 60 CO -0.07 0.10 -0.00 0.42 -0.36 0.00 0.00 175.35 175.45 1pil s ILE 61 N 0.84 4.17 -0.03 5.43 1.01 0.36 -0.74 121.20 132.24 1pil s ILE 61 Ca 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1pil s ILE 61 Cb -0.14 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1pil s ILE 61 CO 0.02 0.43 -0.07 -1.61 0.00 0.00 0.00 174.94 173.71 1pil s GLU 62 N -1.41 0.89 -0.18 2.79 2.02 -0.76 -2.15 118.70 119.91 1pil s GLU 62 Ca 0.18 -0.21 -0.14 0.00 0.02 0.00 0.00 54.97 54.82 1pil s GLU 62 Cb -0.11 -0.85 0.05 0.00 0.10 0.00 0.00 34.13 33.32 1pil s GLU 62 CO 0.09 0.02 0.46 0.96 0.02 0.00 0.00 175.26 176.80 1pil s ILE 63 N 0.51 -0.01 -0.10 -1.63 -4.36 -1.00 -2.72 121.20 111.90 1pil s ILE 63 Ca -0.07 0.03 -0.03 0.00 -0.26 0.00 0.00 60.65 60.31 1pil s ILE 63 Cb -0.11 -0.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.91 1pil s ILE 63 CO 0.01 0.01 0.03 0.68 0.24 0.00 0.00 174.94 175.91 1pil s VAL 64 N 0.67 4.56 0.16 8.37 -7.23 -1.26 -0.14 120.40 125.52 1pil s VAL 64 Ca -0.03 -0.15 -0.13 0.00 -1.81 0.00 0.00 61.98 59.85 1pil s VAL 64 Cb -0.05 -2.94 0.01 0.00 0.56 0.00 0.00 36.38 33.97 1pil s VAL 64 CO -0.05 0.60 0.38 0.54 -0.31 0.00 0.00 175.10 176.26 1pil s VAL 65 N -0.87 0.06 0.67 1.32 0.11 0.07 -4.96 120.40 116.80 1pil s VAL 65 Ca 0.13 -1.01 -0.15 0.00 -2.93 0.00 0.00 61.98 58.02 1pil s VAL 65 Cb -0.11 -1.57 0.01 0.00 -1.53 0.00 0.00 36.38 33.18 1pil s VAL 65 CO 0.03 -0.28 1.14 -2.84 -3.33 0.00 0.00 175.10 169.81 1pil s PRO 66 N -3.89 2.66 0.21 1.54 0.02 -1.26 -0.93 135.00 133.35 1pil s PRO 66 Ca 0.10 1.52 -0.09 0.00 0.02 0.00 0.00 61.00 62.55 1pil s PRO 66 Cb 0.02 -1.92 0.24 0.00 0.02 0.00 0.00 34.50 32.85 1pil s PRO 66 CO -0.05 -1.39 1.83 -0.44 -0.33 0.00 0.00 177.00 176.63 1pil h ASP 67 N 0.04 0.68 -0.74 2.53 3.32 -1.66 -2.68 116.42 117.90 1pil h ASP 67 Ca -0.47 0.01 0.12 0.00 0.02 0.00 0.00 57.03 56.71 1pil h ASP 67 Cb 1.26 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.60 1pil h ASP 67 CO 0.53 0.45 0.34 0.44 -1.72 0.00 0.00 179.24 179.28 1pil h ASP 68 N 0.81 0.40 0.14 6.45 3.32 -1.92 -1.67 116.42 123.95 1pil h ASP 68 Ca 0.31 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1pil h ASP 68 Cb 0.11 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1pil h ASP 68 CO -0.15 0.19 -0.10 0.00 -1.72 0.00 0.00 179.24 177.47 1pil n ILE 69 N -4.92 0.00 -0.09 0.35 3.06 -1.04 -4.39 119.36 112.33 1pil n ILE 69 Ca 0.13 -0.15 -0.08 0.00 -2.50 0.00 0.00 62.75 60.15 1pil n ILE 69 Cb 0.35 0.26 -0.01 0.00 0.54 0.00 0.00 39.64 40.78 1pil n ILE 69 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 1pil h VAL 70 N 1.44 0.29 0.00 9.51 2.07 -1.02 -1.09 116.25 127.45 1pil h VAL 70 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1pil h VAL 70 Cb 0.43 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1pil h VAL 70 CO 0.00 0.00 -0.03 0.44 0.02 0.00 0.00 177.57 178.00 1pil h ASP 71 N -0.25 0.00 -0.06 0.57 5.19 -1.77 -1.85 116.42 118.25 1pil h ASP 71 Ca 0.16 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.43 1pil h ASP 71 Cb 0.51 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.03 1pil h ASP 71 CO -0.48 0.03 -0.53 0.74 -3.12 0.00 0.00 179.24 175.87 1pil h THR 72 N 0.00 1.39 -0.27 0.35 2.02 -1.49 -2.27 112.91 112.63 1pil h THR 72 Ca -0.00 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.25 1pil h THR 72 Cb 0.14 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1pil h THR 72 CO 0.00 0.57 0.14 0.00 0.37 0.00 0.00 175.52 176.60 1pil h VAL 74 N 0.32 1.27 -0.34 0.00 -1.51 -1.45 0.75 116.25 115.29 1pil h VAL 74 Ca 0.10 -1.31 -0.06 0.00 -1.23 0.00 0.00 66.70 64.19 1pil h VAL 74 Cb 0.09 1.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.33 1pil h VAL 74 CO -0.01 0.45 -0.05 -0.78 -1.23 0.00 0.00 177.57 175.95 1pil h ASP 75 N 0.81 0.53 0.04 4.19 3.58 -1.25 -0.74 116.42 123.58 1pil h ASP 75 Ca 0.12 -0.12 -0.20 0.00 0.42 0.00 0.00 57.03 57.24 1pil h ASP 75 Cb 0.73 -0.14 0.02 0.00 1.72 0.00 0.00 39.33 41.65 1pil h ASP 75 CO 0.06 0.64 -0.81 0.74 -2.88 0.00 0.00 179.24 176.99 1pil h THR 76 N 0.53 1.39 -0.11 2.25 2.02 -0.35 -2.76 112.91 115.88 1pil h THR 76 Ca 0.11 -2.22 -0.00 0.00 0.77 0.00 0.00 66.41 65.06 1pil h THR 76 Cb 0.42 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 1pil h THR 76 CO 0.02 0.66 0.06 0.40 0.37 0.00 0.00 175.52 177.03 1pil h ILE 77 N 0.01 1.09 -0.95 3.11 2.04 -0.66 -0.27 117.51 121.88 1pil h ILE 77 Ca -0.11 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.57 1pil h ILE 77 Cb 1.52 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 1pil h ILE 77 CO 0.16 0.08 0.60 0.40 0.00 0.00 0.00 178.15 179.39 1pil h ILE 78 N 0.08 1.04 -0.21 -0.67 2.04 -1.24 0.16 117.51 118.71 1pil h ILE 78 Ca 0.04 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1pil h ILE 78 Cb 0.08 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 1pil h ILE 78 CO -0.01 0.19 0.05 -0.09 0.00 0.00 0.00 178.15 178.30 1pil h ARG 79 N 1.07 0.35 0.00 2.37 2.43 -1.12 -2.26 114.38 117.21 1pil h ARG 79 Ca 0.42 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 1pil h ARG 79 Cb 0.23 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1pil h ARG 79 CO -0.19 0.47 -0.78 1.79 -1.51 0.00 0.00 179.97 179.75 1pil h THR 80 N 0.16 0.62 0.00 0.20 1.35 -0.67 -3.37 112.91 111.20 1pil h THR 80 Ca 0.07 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1pil h THR 80 Cb 0.28 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1pil h THR 80 CO 0.00 0.35 -1.53 0.00 -0.25 0.00 0.00 175.52 174.10 1pil n ALA 81 N -2.26 3.53 -2.28 6.62 0.00 0.53 -4.67 120.51 121.98 1pil n ALA 81 Ca -0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 1pil n ALA 81 Cb 0.74 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 1pil n ALA 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1pil s GLN 82 N -3.20 4.44 -0.01 0.00 0.74 -0.85 -4.79 119.66 115.99 1pil s GLN 82 Ca -0.01 1.83 0.05 0.00 0.05 0.00 0.00 55.36 57.28 1pil s GLN 82 Cb 0.14 -3.30 -0.07 0.00 1.10 0.00 0.00 33.01 30.87 1pil s GLN 82 CO 0.84 -0.22 0.14 0.25 -0.55 0.00 0.00 175.29 175.75 1pil n THR 83 N 3.48 0.00 -0.84 -0.34 -2.24 -1.26 -5.00 114.28 108.08 1pil n THR 83 Ca 0.08 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1pil n THR 83 Cb 0.45 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1pil n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pil n GLY 84 N 1.93 0.59 3.77 3.38 0.00 -1.26 -5.04 105.19 108.57 1pil n GLY 84 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1pil n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pil s LYS 85 N -0.16 2.20 0.14 1.61 1.02 -1.26 -5.09 119.74 118.19 1pil s LYS 85 Ca 0.00 -2.04 -0.31 0.00 0.02 0.00 0.00 55.97 53.65 1pil s LYS 85 Cb 0.00 -1.87 -0.08 0.00 -0.52 0.00 0.00 37.83 35.36 1pil s LYS 85 CO 0.00 -0.28 1.29 -1.50 -0.92 0.00 0.00 175.35 173.94 1pil s ILE 86 N -2.71 3.50 0.00 2.17 1.10 -1.26 -3.66 121.20 120.35 1pil s ILE 86 Ca 0.31 1.15 0.00 0.00 -0.51 0.00 0.00 60.65 61.60 1pil s ILE 86 Cb 0.03 -3.73 0.00 0.00 0.15 0.00 0.00 42.46 38.90 1pil s ILE 86 CO 0.17 0.13 0.00 0.61 -2.11 0.00 0.00 174.94 173.74 1pil n GLY 87 N 2.91 1.13 0.25 1.50 0.00 -1.25 -4.63 105.19 105.10 1pil n GLY 87 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1pil n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pil h ASP 88 N 0.00 0.00 -4.48 1.61 3.32 -1.91 -3.42 116.42 111.55 1pil h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pil h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pil h ASP 88 CO 0.00 0.15 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 1pil n GLY 89 N -0.65 -2.71 3.26 2.75 0.00 -1.26 -4.43 105.19 102.15 1pil n GLY 89 Ca -0.02 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 1pil n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pil s LYS 90 N -0.57 1.23 -0.07 1.61 1.02 -1.23 -5.00 119.74 116.72 1pil s LYS 90 Ca 0.00 -1.63 0.05 0.00 0.02 0.00 0.00 55.97 54.41 1pil s LYS 90 Cb 0.00 -0.18 -0.00 0.00 -0.52 0.00 0.00 37.83 37.12 1pil s LYS 90 CO 0.00 -0.23 -0.23 0.42 -0.92 0.00 0.00 175.35 174.39 1pil s ILE 91 N -3.77 1.97 -0.07 2.17 1.01 -1.26 -2.28 121.20 118.98 1pil s ILE 91 Ca 0.31 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1pil s ILE 91 Cb 0.07 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1pil s ILE 91 CO 0.08 0.55 -0.18 -0.36 0.00 0.00 0.00 174.94 175.03 1pil s PHE 92 N 0.09 1.97 -0.16 3.97 0.08 -0.54 -4.96 117.98 118.43 1pil s PHE 92 Ca -0.10 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.22 1pil s PHE 92 Cb -0.15 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.94 1pil s PHE 92 CO 0.06 -0.29 -0.11 0.14 -0.10 0.00 0.00 175.22 174.92 1pil s VAL 93 N 0.34 3.13 0.24 -0.44 -7.23 -1.26 -0.82 120.40 114.36 1pil s VAL 93 Ca -0.13 -0.61 0.10 0.00 -1.81 0.00 0.00 61.98 59.53 1pil s VAL 93 Cb -0.15 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1pil s VAL 93 CO 0.05 0.50 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.87 1pil s PHE 94 N 0.71 2.52 -0.13 2.82 0.08 0.23 -4.91 117.98 119.29 1pil s PHE 94 Ca -0.05 -0.27 -0.16 0.00 0.12 0.00 0.00 56.93 56.58 1pil s PHE 94 Cb -0.15 -1.15 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 1pil s PHE 94 CO 0.02 0.61 0.37 0.34 -0.10 0.00 0.00 175.22 176.46 1pil s ASP 95 N -3.30 6.56 -0.13 1.36 2.15 -1.26 0.11 116.67 122.15 1pil s ASP 95 Ca 0.28 0.66 -0.14 0.00 0.43 0.00 0.00 52.55 53.78 1pil s ASP 95 Cb -0.07 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.28 1pil s ASP 95 CO 0.16 0.07 0.31 -0.69 -0.17 0.00 0.00 175.17 174.86 1pil s VAL 96 N 0.43 5.27 -0.03 1.11 1.01 -1.24 -4.91 120.40 122.04 1pil s VAL 96 Ca 0.21 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 1pil s VAL 96 Cb -0.14 -3.64 -0.27 0.00 0.00 0.00 0.00 36.38 32.33 1pil s VAL 96 CO 0.07 0.44 0.73 0.00 0.00 0.00 0.00 175.10 176.34 1pil h ALA 97 N 6.20 0.35 -2.55 5.51 0.00 -1.92 -3.44 119.26 123.41 1pil h ALA 97 Ca -0.44 -1.20 -0.11 0.00 0.00 0.00 0.00 54.91 53.15 1pil h ALA 97 Cb 1.18 0.40 -0.21 0.00 0.00 0.00 0.00 17.79 19.15 1pil h ALA 97 CO 0.72 1.21 -0.22 1.03 0.00 0.00 0.00 179.25 181.99 1pil s ARG 98 N -2.60 0.64 -0.11 0.00 0.52 -1.26 -4.73 118.95 111.41 1pil s ARG 98 Ca -0.11 0.12 -0.04 0.00 -0.52 0.00 0.00 55.73 55.18 1pil s ARG 98 Cb 0.07 0.29 0.05 0.00 0.52 0.00 0.00 34.95 35.88 1pil s ARG 98 CO 0.84 -0.15 0.08 0.54 0.02 0.00 0.00 175.30 176.63 1pil s VAL 99 N -0.77 -0.11 -0.11 3.52 0.11 -1.26 -5.06 120.40 116.71 1pil s VAL 99 Ca -0.09 0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1pil s VAL 99 Cb -0.04 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1pil s VAL 99 CO 0.04 -0.06 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.93 1pil s ILE 100 N 2.17 2.52 -0.27 7.04 1.09 -1.26 -1.76 121.20 130.72 1pil s ILE 100 Ca 0.04 -0.86 -0.26 0.00 -1.10 0.00 0.00 60.65 58.46 1pil s ILE 100 Cb -0.14 -2.01 0.00 0.00 -1.06 0.00 0.00 42.46 39.26 1pil s ILE 100 CO -0.06 0.55 0.93 -0.60 -0.10 0.00 0.00 174.94 175.65 1pil s ARG 101 N 0.27 4.13 0.27 2.79 6.06 0.29 -4.94 118.95 127.82 1pil s ARG 101 Ca -0.13 0.99 -0.01 0.00 -2.50 0.00 0.00 55.73 54.08 1pil s ARG 101 Cb -0.17 -3.68 0.50 0.00 0.06 0.00 0.00 34.95 31.66 1pil s ARG 101 CO 0.07 -0.67 1.83 0.82 -2.50 0.00 0.00 175.30 174.86 1pil h ILE 102 N 5.54 0.94 -0.34 4.11 2.04 -1.96 0.86 117.51 128.70 1pil h ILE 102 Ca -0.22 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.33 1pil h ILE 102 Cb 1.08 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1pil h ILE 102 CO 0.94 0.18 0.23 -0.09 0.00 0.00 0.00 178.15 179.40 1pil h ARG 103 N 0.97 0.37 0.00 2.37 2.43 -1.97 -3.25 114.38 115.30 1pil h ARG 103 Ca 0.47 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.58 1pil h ARG 103 Cb 0.42 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1pil h ARG 103 CO -0.25 0.24 -1.37 0.25 -1.51 0.00 0.00 179.97 177.33 1pil n THR 104 N -4.49 0.14 -1.00 0.20 -2.24 -1.10 -4.98 114.28 100.82 1pil n THR 104 Ca 0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1pil n THR 104 Cb 0.13 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1pil n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pil n GLY 105 N 2.24 0.45 3.82 3.38 0.00 0.28 -5.01 105.19 110.34 1pil n GLY 105 Ca -0.04 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 1pil n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pil s GLU 106 N -0.88 3.92 0.27 1.61 2.02 -1.19 -4.87 118.70 119.57 1pil s GLU 106 Ca 0.00 0.25 0.03 0.00 0.02 0.00 0.00 54.97 55.27 1pil s GLU 106 Cb 0.00 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1pil s GLU 106 CO 0.00 0.58 0.42 -1.21 0.02 0.00 0.00 175.26 175.08 1pil s GLU 107 N -0.65 3.46 0.14 1.61 2.02 -1.26 -0.54 118.70 123.48 1pil s GLU 107 Ca 0.21 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.71 1pil s GLU 107 Cb -0.15 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 1pil s GLU 107 CO 0.10 0.34 -0.07 -0.51 0.02 0.00 0.00 175.26 175.13 1pil s ASP 108 N -3.87 4.47 -0.54 -0.19 1.01 -0.72 -4.96 116.67 111.87 1pil s ASP 108 Ca 0.37 -0.43 -0.27 0.00 0.71 0.00 0.00 52.55 52.92 1pil s ASP 108 Cb -0.10 -0.86 -0.00 0.00 1.01 0.00 0.00 42.92 42.97 1pil s ASP 108 CO 0.31 0.14 1.64 -0.62 0.21 0.00 0.00 175.17 176.85 1pil s ASP 109 N -2.53 5.78 0.00 0.27 -1.08 -1.26 -4.51 116.67 113.34 1pil s ASP 109 Ca 0.24 0.48 0.12 0.00 -0.52 0.00 0.00 52.55 52.87 1pil s ASP 109 Cb -0.10 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.54 1pil s ASP 109 CO 0.15 -1.95 1.18 0.00 0.52 0.00 0.00 175.17 175.08 1pil n ALA 110 N 10.81 1.93 0.68 3.66 0.00 -1.26 -2.47 120.51 133.86 1pil n ALA 110 Ca 0.17 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1pil n ALA 110 Cb 0.50 -1.20 0.16 0.00 0.00 0.00 0.00 19.45 18.91 1pil n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pil n ALA 111 N -1.03 2.44 1.47 0.00 0.00 -1.26 0.18 120.51 122.31 1pil n ALA 111 Ca 0.09 -0.83 0.14 0.00 0.00 0.00 0.00 53.44 52.83 1pil n ALA 111 Cb 0.05 -0.85 0.50 0.00 0.00 0.00 0.00 19.45 19.15 1pil n ALA 111 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94