#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifj s LEU 2 N 0.00 3.90 0.59 0.00 1.43 0.73 -1.26 118.68 124.07 3ifj s LEU 2 Ca 0.00 0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.12 3ifj s LEU 2 Cb 0.00 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 3ifj s LEU 2 CO 0.00 0.32 1.17 0.00 0.23 0.00 0.00 176.35 178.08 3ifj s ALA 3 N -1.09 2.55 0.37 4.21 0.00 -0.60 0.48 121.76 127.68 3ifj s ALA 3 Ca 0.19 0.90 -0.27 0.00 0.00 0.00 0.00 51.96 52.78 3ifj s ALA 3 Cb -0.12 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 3ifj s ALA 3 CO 0.09 -1.11 1.24 -1.91 0.00 0.00 0.00 175.76 174.07 3ifj n GLU 4 N -1.67 1.93 0.00 0.00 2.13 0.15 -1.83 120.64 121.35 3ifj n GLU 4 Ca 0.13 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.63 3ifj n GLU 4 Cb 0.50 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.93 3ifj n GLU 4 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ifj n GLY 5 N 0.85 1.78 3.68 8.31 0.00 -1.26 -4.96 105.19 113.59 3ifj n GLY 5 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 3ifj n GLY 5 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ifj n THR 6 N -2.00 0.46 -3.26 2.61 -1.04 -0.76 -4.73 114.28 105.56 3ifj n THR 6 Ca 0.00 -0.08 -0.38 0.00 -2.04 0.00 0.00 64.05 61.54 3ifj n THR 6 Cb 0.00 -2.03 -0.06 0.00 -1.82 0.00 0.00 70.33 66.42 3ifj n THR 6 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3ifj s ARG 7 N 3.20 4.32 -0.12 -2.82 0.52 -1.26 -0.43 118.95 122.36 3ifj s ARG 7 Ca 0.86 0.59 0.02 0.00 -0.52 0.00 0.00 55.73 56.67 3ifj s ARG 7 Cb -0.55 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.54 3ifj s ARG 7 CO 0.42 0.23 -0.16 0.42 0.02 0.00 0.00 175.30 176.23 3ifj s ILE 8 N 0.34 1.60 -0.08 1.52 1.01 0.14 -1.71 121.20 124.01 3ifj s ILE 8 Ca 0.29 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 3ifj s ILE 8 Cb -0.16 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3ifj s ILE 8 CO 0.13 0.46 0.66 0.12 0.00 0.00 0.00 174.94 176.32 3ifj s PHE 9 N 1.01 3.55 -0.46 3.97 5.36 -1.26 -0.31 117.98 129.84 3ifj s PHE 9 Ca -0.05 1.17 -0.16 0.00 -0.96 0.00 0.00 56.93 56.93 3ifj s PHE 9 Cb -0.15 -2.77 0.06 0.00 -0.34 0.00 0.00 43.02 39.83 3ifj s PHE 9 CO -0.03 0.08 0.41 0.34 -1.46 0.00 0.00 175.22 174.56 3ifj s ASP 10 N 0.80 6.15 0.07 6.13 -1.08 -0.25 -3.93 116.67 124.55 3ifj s ASP 10 Ca 0.35 -1.16 0.16 0.00 -0.52 0.00 0.00 52.55 51.38 3ifj s ASP 10 Cb -0.17 -2.20 0.70 0.00 -1.46 0.00 0.00 42.92 39.79 3ifj s ASP 10 CO 0.16 -0.64 1.52 -0.81 0.52 0.00 0.00 175.17 175.92 3ifj n PRO 11 N 5.34 0.05 0.04 4.34 -0.04 -1.26 0.53 135.00 143.99 3ifj n PRO 11 Ca -0.11 0.30 -0.20 0.00 -0.04 0.00 0.00 63.50 63.45 3ifj n PRO 11 Cb 0.45 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 3ifj n PRO 11 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ifj h VAL 12 N 0.00 0.85 0.00 0.52 2.07 -1.92 -3.39 116.25 114.38 3ifj h VAL 12 Ca 0.00 -2.52 -0.21 0.00 0.82 0.00 0.00 66.70 64.80 3ifj h VAL 12 Cb 0.27 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 3ifj h VAL 12 CO 0.00 0.84 -2.12 0.35 0.02 0.00 0.00 177.57 176.66 3ifj n THR 13 N -3.48 0.77 -0.56 2.57 -2.24 -1.16 -4.99 114.28 105.19 3ifj n THR 13 Ca -0.25 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 3ifj n THR 13 Cb 1.06 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 3ifj n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ifj n GLY 14 N 1.69 0.85 3.79 3.38 0.00 0.19 -5.04 105.19 110.04 3ifj n GLY 14 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 3ifj n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifj s THR 15 N -3.15 4.58 -0.21 2.61 2.01 -1.21 -4.82 115.64 115.45 3ifj s THR 15 Ca 0.00 1.48 -0.09 0.00 0.31 0.00 0.00 61.69 63.39 3ifj s THR 15 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3ifj s THR 15 CO 0.00 0.51 0.10 -0.89 -0.69 0.00 0.00 174.62 173.65 3ifj s THR 16 N -0.97 4.97 0.19 -0.82 2.01 -1.26 -1.10 115.64 118.66 3ifj s THR 16 Ca 0.33 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.45 3ifj s THR 16 Cb -0.21 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3ifj s THR 16 CO 0.22 0.41 -0.07 -1.00 -0.69 0.00 0.00 174.62 173.50 3ifj s HIS 17 N 0.70 2.67 -0.11 4.92 3.76 0.58 -4.91 115.29 122.91 3ifj s HIS 17 Ca 0.05 -0.21 -0.14 0.00 -0.15 0.00 0.00 55.06 54.62 3ifj s HIS 17 Cb -0.13 -1.29 -0.05 0.00 1.11 0.00 0.00 32.58 32.22 3ifj s HIS 17 CO 0.02 0.53 0.32 1.03 -0.85 0.00 0.00 174.74 175.79 3ifj s ARG 18 N -2.94 4.10 0.32 1.40 0.52 -1.26 0.26 118.95 121.34 3ifj s ARG 18 Ca 0.26 0.19 0.06 0.00 -0.52 0.00 0.00 55.73 55.72 3ifj s ARG 18 Cb -0.09 -3.35 0.72 0.00 0.52 0.00 0.00 34.95 32.75 3ifj s ARG 18 CO 0.16 0.40 1.83 0.97 0.02 0.00 0.00 175.30 178.67 3ifj h ILE 19 N 4.38 0.81 -0.18 1.52 2.10 -1.04 -1.47 117.51 123.63 3ifj h ILE 19 Ca -0.45 -0.28 -0.02 0.00 1.08 0.00 0.00 64.86 65.19 3ifj h ILE 19 Cb 1.19 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 3ifj h ILE 19 CO 0.70 0.15 0.01 1.05 -1.08 0.00 0.00 178.15 178.98 3ifj h GLU 20 N 0.81 0.26 -0.13 2.19 9.09 -1.89 -1.48 114.58 123.42 3ifj h GLU 20 Ca 0.51 -0.04 -0.21 0.00 0.05 0.00 0.00 59.36 59.67 3ifj h GLU 20 Cb 0.73 -0.05 0.01 0.00 -1.65 0.00 0.00 28.75 27.78 3ifj h GLU 20 CO -0.28 0.28 -0.76 -0.44 0.05 0.00 0.00 179.01 177.86 3ifj h ASP 21 N 0.26 0.80 -0.79 3.06 3.32 -1.69 -0.06 116.42 121.31 3ifj h ASP 21 Ca 0.06 -0.52 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 3ifj h ASP 21 Cb 0.17 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3ifj h ASP 21 CO 0.00 1.30 0.35 0.58 -1.72 0.00 0.00 179.24 179.75 3ifj h VAL 22 N 0.46 1.26 -0.01 -1.35 2.07 -1.08 -2.32 116.25 115.28 3ifj h VAL 22 Ca -0.04 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 3ifj h VAL 22 Cb 1.37 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3ifj h VAL 22 CO 0.15 0.32 -0.16 0.58 0.02 0.00 0.00 177.57 178.48 3ifj h VAL 23 N 1.14 1.55 -0.90 2.57 2.07 -1.24 0.10 116.25 121.53 3ifj h VAL 23 Ca 0.27 -1.83 0.11 0.00 0.82 0.00 0.00 66.70 66.07 3ifj h VAL 23 Cb 0.17 2.71 -0.08 0.00 -1.52 0.00 0.00 31.29 32.57 3ifj h VAL 23 CO -0.03 0.49 0.54 0.44 0.02 0.00 0.00 177.57 179.03 3ifj h ASP 24 N -0.55 0.77 -0.66 0.57 3.32 -1.00 -1.69 116.42 117.18 3ifj h ASP 24 Ca -0.02 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ifj h ASP 24 Cb 0.89 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3ifj h ASP 24 CO 0.03 0.41 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 3ifj n GLY 25 N -1.33 2.28 4.17 2.75 0.00 -0.87 -4.95 105.19 107.23 3ifj n GLY 25 Ca 0.16 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 3ifj n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifj n ARG 26 N 1.38 -1.78 -2.50 1.61 3.00 -0.64 -4.84 116.66 112.90 3ifj n ARG 26 Ca 0.23 0.21 -0.42 0.00 -0.01 0.00 0.00 57.85 57.86 3ifj n ARG 26 Cb 0.65 -3.89 -0.03 0.00 0.00 0.00 0.00 32.46 29.19 3ifj n ARG 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3ifj s LYS 27 N -7.06 4.35 -1.49 5.56 1.02 -0.05 -4.94 119.74 117.13 3ifj s LYS 27 Ca 0.03 1.62 -0.13 0.00 0.02 0.00 0.00 55.97 57.51 3ifj s LYS 27 Cb -0.01 -3.57 0.02 0.00 -0.52 0.00 0.00 37.83 33.75 3ifj s LYS 27 CO 0.96 -0.44 2.40 -0.35 -0.92 0.00 0.00 175.35 176.99 3ifj n PRO 28 N 5.26 3.13 -2.23 -1.68 -0.04 -1.26 -4.90 135.00 133.29 3ifj n PRO 28 Ca 0.11 -2.56 -0.27 0.00 -0.04 0.00 0.00 63.50 60.73 3ifj n PRO 28 Cb 0.46 -3.14 0.15 0.00 -0.04 0.00 0.00 33.50 30.93 3ifj n PRO 28 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3ifj s ILE 29 N 2.73 2.06 0.20 0.52 -4.36 -1.26 -4.83 121.20 116.26 3ifj s ILE 29 Ca 0.52 -0.27 0.11 0.00 -0.26 0.00 0.00 60.65 60.76 3ifj s ILE 29 Cb 0.15 -2.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 3ifj s ILE 29 CO -0.08 0.00 -0.23 -1.00 0.24 0.00 0.00 174.94 173.87 3ifj s HIS 30 N -3.54 2.28 0.26 1.37 3.76 -1.26 -1.32 115.29 116.83 3ifj s HIS 30 Ca 0.70 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 55.27 3ifj s HIS 30 Cb -0.05 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.49 3ifj s HIS 30 CO 0.49 0.52 0.15 0.14 -0.85 0.00 0.00 174.74 175.18 3ifj s VAL 31 N -1.77 0.22 -0.13 -0.90 -7.23 0.02 -3.97 120.40 106.64 3ifj s VAL 31 Ca 0.22 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.21 3ifj s VAL 31 Cb -0.08 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 3ifj s VAL 31 CO 0.10 0.00 0.47 -0.69 -0.31 0.00 0.00 175.10 174.67 3ifj s VAL 32 N -3.83 5.19 0.07 1.32 1.01 -1.25 -1.63 120.40 121.28 3ifj s VAL 32 Ca 0.38 0.93 0.06 0.00 0.00 0.00 0.00 61.98 63.35 3ifj s VAL 32 Cb 0.06 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3ifj s VAL 32 CO 0.16 0.32 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 3ifj s ALA 33 N 0.69 1.28 -0.15 5.51 0.00 0.20 -1.25 121.76 128.04 3ifj s ALA 33 Ca 0.25 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 3ifj s ALA 33 Cb -0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 3ifj s ALA 33 CO 0.10 0.21 0.31 0.00 0.00 0.00 0.00 175.76 176.38 3ifj s ALA 34 N -1.19 3.58 0.85 0.00 0.00 -1.26 -0.11 121.76 123.64 3ifj s ALA 34 Ca -0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 3ifj s ALA 34 Cb -0.10 -2.42 0.17 0.00 0.00 0.00 0.00 23.12 20.77 3ifj s ALA 34 CO 0.02 0.09 1.17 0.00 0.00 0.00 0.00 175.76 177.04 3ifj s ALA 35 N 0.45 2.93 0.33 0.00 0.00 0.37 -4.72 121.76 121.13 3ifj s ALA 35 Ca 0.18 -1.46 0.04 0.00 0.00 0.00 0.00 51.96 50.71 3ifj s ALA 35 Cb -0.13 -2.41 0.65 0.00 0.00 0.00 0.00 23.12 21.23 3ifj s ALA 35 CO 0.05 -1.98 1.90 -0.22 0.00 0.00 0.00 175.76 175.51 3ifj h LYS 36 N -1.12 0.86 -0.24 0.00 3.64 -1.94 -1.75 116.57 116.01 3ifj h LYS 36 Ca -0.40 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3ifj h LYS 36 Cb 1.25 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3ifj h LYS 36 CO 0.39 0.57 0.00 -0.40 -2.27 0.00 0.00 179.45 177.74 3ifj n ASP 37 N -4.52 1.32 0.00 4.20 5.68 -1.26 -4.90 116.55 117.07 3ifj n ASP 37 Ca 0.15 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 3ifj n ASP 37 Cb 0.29 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3ifj n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ifj n GLY 38 N 0.90 1.44 3.83 6.12 0.00 -0.66 -5.04 105.19 111.78 3ifj n GLY 38 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3ifj n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ifj s THR 39 N -2.75 4.24 -0.11 2.61 -4.23 -1.26 -4.54 115.64 109.60 3ifj s THR 39 Ca 0.00 0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 61.43 3ifj s THR 39 Cb 0.00 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 3ifj s THR 39 CO 0.00 -0.73 0.03 -0.76 -0.54 0.00 0.00 174.62 172.62 3ifj s LEU 40 N -4.63 3.69 0.12 4.79 1.43 -1.26 -0.48 118.68 122.35 3ifj s LEU 40 Ca 0.60 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 3ifj s LEU 40 Cb -0.13 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3ifj s LEU 40 CO 0.41 0.34 -0.02 -1.00 0.23 0.00 0.00 176.35 176.30 3ifj s HIS 41 N -0.64 0.96 -0.18 0.29 3.76 0.85 -4.93 115.29 115.40 3ifj s HIS 41 Ca 0.11 -1.01 -0.16 0.00 -0.15 0.00 0.00 55.06 53.85 3ifj s HIS 41 Cb -0.12 -0.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.97 3ifj s HIS 41 CO 0.02 -0.24 0.38 0.00 -0.85 0.00 0.00 174.74 174.05 3ifj s ALA 42 N -3.72 3.55 0.06 -1.40 0.00 -1.26 0.61 121.76 119.61 3ifj s ALA 42 Ca 0.17 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3ifj s ALA 42 Cb 0.06 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 3ifj s ALA 42 CO -0.01 -0.17 -0.08 1.03 0.00 0.00 0.00 175.76 176.52 3ifj s ARG 43 N 1.03 0.66 0.32 0.00 1.81 -0.65 -4.96 118.95 117.17 3ifj s ARG 43 Ca 0.19 -0.96 -0.14 0.00 -1.72 0.00 0.00 55.73 53.10 3ifj s ARG 43 Cb -0.14 -0.33 -0.09 0.00 -0.45 0.00 0.00 34.95 33.94 3ifj s ARG 43 CO 0.07 0.04 0.72 -1.25 -0.68 0.00 0.00 175.30 174.20 3ifj s PRO 44 N -2.30 3.95 -0.02 3.54 0.04 -1.26 -0.80 135.00 138.15 3ifj s PRO 44 Ca -0.02 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.38 3ifj s PRO 44 Cb -0.05 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 3ifj s PRO 44 CO -0.01 0.16 0.72 0.08 0.04 0.00 0.00 177.00 177.99 3ifj s VAL 45 N -2.00 4.92 0.00 -0.36 1.01 -0.44 -0.83 120.40 122.70 3ifj s VAL 45 Ca 0.53 1.50 0.00 0.00 0.00 0.00 0.00 61.98 64.01 3ifj s VAL 45 Cb -0.10 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3ifj s VAL 45 CO 0.19 0.31 0.07 1.33 0.00 0.00 0.00 175.10 177.00 3ifj n VAL 46 N 3.32 0.00 -3.82 2.92 0.24 0.53 -4.66 118.33 116.86 3ifj n VAL 46 Ca -0.02 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.66 3ifj n VAL 46 Cb 0.51 1.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.78 3ifj n VAL 46 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3ifj s SER 47 N -0.84 -0.10 -0.02 -1.34 0.01 -1.21 -4.96 113.70 105.24 3ifj s SER 47 Ca 0.00 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.31 3ifj s SER 47 Cb 0.00 0.30 -0.00 0.00 0.21 0.00 0.00 66.02 66.52 3ifj s SER 47 CO 0.00 -0.34 -0.11 0.26 0.41 0.00 0.00 173.24 173.46 3ifj s TRP 48 N -1.07 1.05 -0.03 2.43 0.51 -1.26 -1.15 118.94 119.42 3ifj s TRP 48 Ca -0.11 -0.23 0.01 0.00 -2.12 0.00 0.00 56.10 53.65 3ifj s TRP 48 Cb -0.06 -0.70 0.02 0.00 -0.81 0.00 0.00 33.47 31.92 3ifj s TRP 48 CO 0.02 -0.06 -0.05 -0.06 -0.51 0.00 0.00 176.95 176.29 3ifj s PHE 49 N -0.06 0.66 -0.48 -1.98 0.40 0.03 -5.00 117.98 111.55 3ifj s PHE 49 Ca 0.01 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.07 3ifj s PHE 49 Cb -0.07 -0.56 0.11 0.00 0.51 0.00 0.00 43.02 43.02 3ifj s PHE 49 CO 0.00 -0.13 0.37 0.34 0.70 0.00 0.00 175.22 176.49 3ifj s ASP 50 N 0.64 5.82 0.00 1.36 -1.08 -1.26 -1.63 116.67 120.51 3ifj s ASP 50 Ca -0.08 -1.79 0.30 0.00 -0.52 0.00 0.00 52.55 50.46 3ifj s ASP 50 Cb -0.11 -2.06 1.46 0.00 -1.46 0.00 0.00 42.92 40.75 3ifj s ASP 50 CO -0.00 -0.70 1.98 0.00 0.52 0.00 0.00 175.17 176.97 3ifj n GLN 51 N 5.00 1.10 -0.00 4.34 1.13 -0.69 -5.02 117.38 123.23 3ifj n GLN 51 Ca -0.10 -0.35 0.00 0.00 -1.94 0.00 0.00 57.00 54.61 3ifj n GLN 51 Cb 0.41 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.27 3ifj n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ifj n GLY 52 N 1.13 -1.57 3.71 1.08 0.00 -1.23 -4.83 105.19 103.49 3ifj n GLY 52 Ca 0.20 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 3ifj n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifj s THR 53 N -1.44 3.70 0.27 2.61 2.01 -1.26 -1.83 115.64 119.70 3ifj s THR 53 Ca 0.00 1.20 -0.06 0.00 0.31 0.00 0.00 61.69 63.14 3ifj s THR 53 Cb 0.00 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 3ifj s THR 53 CO 0.00 0.08 0.38 -0.13 -0.69 0.00 0.00 174.62 174.26 3ifj s ARG 54 N 1.31 1.58 0.09 4.92 0.52 0.14 -4.92 118.95 122.59 3ifj s ARG 54 Ca 0.62 -1.52 -0.30 0.00 -0.52 0.00 0.00 55.73 54.00 3ifj s ARG 54 Cb -0.32 0.41 -0.05 0.00 0.52 0.00 0.00 34.95 35.50 3ifj s ARG 54 CO 0.29 -0.62 1.03 -0.51 0.02 0.00 0.00 175.30 175.50 3ifj s ASP 55 N -3.13 7.36 0.02 0.23 1.01 -1.26 -1.53 116.67 119.38 3ifj s ASP 55 Ca 0.30 1.85 0.04 0.00 0.71 0.00 0.00 52.55 55.45 3ifj s ASP 55 Cb 0.01 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 3ifj s ASP 55 CO 0.14 -0.20 -0.13 0.68 0.21 0.00 0.00 175.17 175.87 3ifj s VAL 56 N 0.33 0.99 0.26 -1.27 -7.23 0.06 -4.27 120.40 109.28 3ifj s VAL 56 Ca 0.50 -0.81 0.10 0.00 -1.81 0.00 0.00 61.98 59.96 3ifj s VAL 56 Cb -0.25 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.77 3ifj s VAL 56 CO 0.30 0.07 -0.08 0.27 -0.31 0.00 0.00 175.10 175.35 3ifj s ILE 57 N -0.67 3.10 0.11 -0.62 -4.36 -0.43 -1.53 121.20 116.81 3ifj s ILE 57 Ca 0.02 -2.04 0.10 0.00 -0.26 0.00 0.00 60.65 58.47 3ifj s ILE 57 Cb -0.07 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 3ifj s ILE 57 CO 0.01 -0.35 -0.25 -0.83 0.24 0.00 0.00 174.94 173.76 3ifj s GLY 58 N -3.51 1.57 -0.20 6.27 0.00 -1.13 -1.89 107.32 108.44 3ifj s GLY 58 Ca 0.30 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.62 3ifj s GLY 58 CO 0.18 -1.38 -0.14 1.08 0.00 0.00 0.00 173.10 172.84 3ifj s LEU 59 N -1.93 2.49 -0.26 0.66 1.43 -0.46 0.15 118.68 120.76 3ifj s LEU 59 Ca 0.14 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 3ifj s LEU 59 Cb -0.10 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 3ifj s LEU 59 CO 0.06 -0.10 0.19 -0.60 0.23 0.00 0.00 176.35 176.13 3ifj s ARG 60 N 1.29 4.02 0.08 1.70 3.52 -0.37 -1.84 118.95 127.35 3ifj s ARG 60 Ca -0.01 -0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 3ifj s ARG 60 Cb -0.16 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 3ifj s ARG 60 CO -0.09 -0.06 0.16 0.42 -0.81 0.00 0.00 175.30 174.92 3ifj s ILE 61 N 1.42 5.02 0.18 4.11 -1.09 0.94 -0.29 121.20 131.50 3ifj s ILE 61 Ca 0.08 -0.59 -0.32 0.00 -2.23 0.00 0.00 60.65 57.59 3ifj s ILE 61 Cb -0.15 -3.46 -0.12 0.00 -1.58 0.00 0.00 42.46 37.15 3ifj s ILE 61 CO 0.08 0.10 1.72 0.00 -1.23 0.00 0.00 174.94 175.61 3ifj n ALA 62 N 0.24 2.49 0.00 9.38 0.00 0.21 -1.07 120.51 131.75 3ifj n ALA 62 Ca -0.07 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3ifj n ALA 62 Cb 0.52 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3ifj n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifj n GLY 63 N 3.93 2.45 0.00 0.00 0.00 -1.26 -4.67 105.19 105.64 3ifj n GLY 63 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ifj n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ifj n GLY 64 N -0.37 0.54 3.77 -0.02 0.00 -0.24 -5.09 105.19 103.78 3ifj n GLY 64 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3ifj n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifj s ALA 65 N -2.00 3.32 -0.09 4.61 0.00 -1.23 -4.80 121.76 121.57 3ifj s ALA 65 Ca 0.00 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.01 3ifj s ALA 65 Cb 0.00 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.75 3ifj s ALA 65 CO 0.00 -0.52 0.03 0.42 0.00 0.00 0.00 175.76 175.69 3ifj s ILE 66 N -1.27 0.24 -0.04 0.00 1.01 -1.26 -0.04 121.20 119.84 3ifj s ILE 66 Ca 0.52 0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.29 3ifj s ILE 66 Cb -0.34 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 3ifj s ILE 66 CO 0.44 0.12 -0.22 0.54 0.00 0.00 0.00 174.94 175.83 3ifj s VAL 67 N 2.02 2.38 -0.17 2.92 0.11 -0.77 -4.88 120.40 122.00 3ifj s VAL 67 Ca 0.04 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 58.11 3ifj s VAL 67 Cb -0.13 -1.88 -0.01 0.00 -1.53 0.00 0.00 36.38 32.84 3ifj s VAL 67 CO -0.05 0.58 -0.11 0.26 -3.33 0.00 0.00 175.10 172.44 3ifj s TRP 68 N -0.46 2.86 0.14 1.54 0.52 -1.26 -1.36 118.94 120.92 3ifj s TRP 68 Ca 0.05 -0.92 -0.11 0.00 0.02 0.00 0.00 56.10 55.15 3ifj s TRP 68 Cb -0.12 -1.95 0.00 0.00 -1.15 0.00 0.00 33.47 30.26 3ifj s TRP 68 CO 0.01 -0.44 0.29 0.00 0.02 0.00 0.00 176.95 176.83 3ifj s ALA 69 N 0.92 -0.28 0.53 0.98 0.00 -0.79 -1.56 121.76 121.56 3ifj s ALA 69 Ca -0.02 -0.63 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 3ifj s ALA 69 Cb -0.15 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 3ifj s ALA 69 CO -0.01 -0.62 1.22 0.95 0.00 0.00 0.00 175.76 177.31 3ifj s THR 70 N -3.90 2.73 0.50 0.00 -4.23 -0.39 -1.31 115.64 109.04 3ifj s THR 70 Ca 0.11 0.51 0.36 0.00 -1.18 0.00 0.00 61.69 61.49 3ifj s THR 70 Cb 0.03 -3.24 0.56 0.00 1.34 0.00 0.00 72.50 71.20 3ifj s THR 70 CO -0.05 -0.04 1.70 -0.65 -0.54 0.00 0.00 174.62 175.03 3ifj h PRO 71 N 1.48 0.07 -0.02 3.99 0.11 -1.93 0.24 132.00 135.95 3ifj h PRO 71 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ifj h PRO 71 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3ifj h PRO 71 CO 0.58 0.05 -0.04 -0.40 -0.21 0.00 0.00 178.00 177.98 3ifj n ASP 72 N -4.30 1.72 -4.73 -2.05 3.85 -1.26 0.61 116.55 110.38 3ifj n ASP 72 Ca 0.33 -1.52 -0.42 0.00 -0.71 0.00 0.00 54.79 52.47 3ifj n ASP 72 Cb 1.44 0.02 -0.03 0.00 -1.35 0.00 0.00 41.12 41.21 3ifj n ASP 72 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 3ifj s HIS 73 N -2.06 3.08 0.03 2.11 2.46 0.07 -4.63 115.29 116.35 3ifj s HIS 73 Ca 0.35 0.84 -0.29 0.00 0.47 0.00 0.00 55.06 56.43 3ifj s HIS 73 Cb 0.21 -3.84 -0.04 0.00 -0.13 0.00 0.00 32.58 28.77 3ifj s HIS 73 CO 0.35 -2.94 0.92 0.15 -2.47 0.00 0.00 174.74 170.75 3ifj s LYS 74 N 0.53 4.58 0.05 2.88 1.02 -1.26 -0.18 119.74 127.36 3ifj s LYS 74 Ca 0.65 1.32 0.07 0.00 0.02 0.00 0.00 55.97 58.03 3ifj s LYS 74 Cb -0.42 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.43 3ifj s LYS 74 CO 0.36 0.07 -0.18 0.08 -0.92 0.00 0.00 175.35 174.76 3ifj s VAL 75 N 0.59 2.76 -0.16 3.17 1.01 0.54 -0.46 120.40 127.84 3ifj s VAL 75 Ca 0.47 -1.21 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 3ifj s VAL 75 Cb -0.21 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3ifj s VAL 75 CO 0.27 0.33 0.89 -0.22 0.00 0.00 0.00 175.10 176.36 3ifj s LEU 76 N -1.47 4.18 0.00 3.92 2.96 -0.84 -1.36 118.68 126.08 3ifj s LEU 76 Ca 0.15 1.27 0.04 0.00 -0.22 0.00 0.00 54.13 55.37 3ifj s LEU 76 Cb -0.10 -3.34 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 3ifj s LEU 76 CO 0.05 -0.44 0.14 0.35 -1.32 0.00 0.00 176.35 175.13 3ifj n THR 77 N 4.76 0.00 0.30 3.68 -2.24 -0.14 -0.51 114.28 120.13 3ifj n THR 77 Ca 0.06 -2.37 0.14 0.00 -2.27 0.00 0.00 64.05 59.61 3ifj n THR 77 Cb 0.48 0.83 0.64 0.00 -2.10 0.00 0.00 70.33 70.18 3ifj n THR 77 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3ifj h GLU 78 N 0.00 0.00 -0.48 -0.78 4.11 -1.64 -1.15 114.58 114.65 3ifj h GLU 78 Ca -0.32 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.93 3ifj h GLU 78 Cb 1.21 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 3ifj h GLU 78 CO 0.51 0.00 0.10 0.66 0.07 0.00 0.00 179.01 180.35 3ifj n TYR 79 N -2.48 1.55 -3.71 2.06 4.01 -1.26 -5.08 117.16 112.25 3ifj n TYR 79 Ca 0.00 -1.35 0.00 0.00 -0.16 0.00 0.00 57.90 56.40 3ifj n TYR 79 Cb 0.16 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 3ifj n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ifj n GLY 80 N -0.77 -1.30 3.71 2.72 0.00 -0.43 -4.81 105.19 104.31 3ifj n GLY 80 Ca 0.35 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 3ifj n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ifj s TRP 81 N 0.00 3.27 -0.01 1.61 0.52 -1.26 -0.96 118.94 122.11 3ifj s TRP 81 Ca 0.00 1.11 -0.03 0.00 0.02 0.00 0.00 56.10 57.19 3ifj s TRP 81 Cb 0.00 -3.55 -0.00 0.00 -1.15 0.00 0.00 33.47 28.77 3ifj s TRP 81 CO 0.00 -1.83 0.07 1.03 0.02 0.00 0.00 176.95 176.24 3ifj s ARG 82 N 1.32 0.27 0.27 4.98 0.52 -0.46 -4.94 118.95 120.92 3ifj s ARG 82 Ca 0.61 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 55.30 3ifj s ARG 82 Cb -0.32 0.11 -0.10 0.00 0.52 0.00 0.00 34.95 35.16 3ifj s ARG 82 CO 0.29 -0.05 1.40 0.00 0.02 0.00 0.00 175.30 176.95 3ifj s ALA 83 N -0.79 3.59 0.23 2.13 0.00 -1.26 -0.34 121.76 125.31 3ifj s ALA 83 Ca -0.09 1.31 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 3ifj s ALA 83 Cb -0.05 -3.53 0.37 0.00 0.00 0.00 0.00 23.12 19.91 3ifj s ALA 83 CO 0.00 -0.72 1.68 0.00 0.00 0.00 0.00 175.76 176.72 3ifj h ALA 84 N 4.57 0.78 0.00 0.00 0.00 -0.30 -0.40 119.26 123.91 3ifj h ALA 84 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ifj h ALA 84 Cb 1.22 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3ifj h ALA 84 CO 0.74 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.04 3ifj n GLY 85 N -1.35 -0.64 0.05 0.00 0.00 0.20 -1.89 105.19 101.55 3ifj n GLY 85 Ca 0.11 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3ifj n GLY 85 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ifj n GLU 86 N -1.48 0.55 -2.00 1.61 -0.58 -0.16 -4.96 120.64 113.62 3ifj n GLU 86 Ca 0.01 -0.04 -0.34 0.00 -0.42 0.00 0.00 57.16 56.37 3ifj n GLU 86 Cb 0.05 -1.64 0.02 0.00 -0.57 0.00 0.00 31.44 29.31 3ifj n GLU 86 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3ifj s LEU 87 N -4.66 3.54 0.09 -4.62 1.43 -0.79 -5.06 118.68 108.60 3ifj s LEU 87 Ca -0.03 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3ifj s LEU 87 Cb 0.13 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 3ifj s LEU 87 CO 0.85 -1.38 -0.03 -0.13 0.23 0.00 0.00 176.35 175.89 3ifj s ARG 88 N -3.82 0.77 0.43 1.70 1.81 -1.26 -5.01 118.95 113.56 3ifj s ARG 88 Ca 0.68 -1.31 -0.25 0.00 -1.72 0.00 0.00 55.73 53.13 3ifj s ARG 88 Cb -0.20 0.03 -0.10 0.00 -0.45 0.00 0.00 34.95 34.23 3ifj s ARG 88 CO 0.35 -0.10 1.14 0.36 -0.68 0.00 0.00 175.30 176.37 3ifj n LYS 89 N 0.00 1.60 0.00 3.54 2.85 -1.26 -1.40 118.16 123.50 3ifj n LYS 89 Ca -0.12 0.57 0.00 0.00 -1.05 0.00 0.00 58.31 57.72 3ifj n LYS 89 Cb 0.61 -2.21 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 3ifj n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ifj n GLY 90 N 1.01 2.96 3.77 2.58 0.00 -0.40 -4.96 105.19 110.15 3ifj n GLY 90 Ca 0.08 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3ifj n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ifj s ASP 91 N 0.55 5.71 -0.12 1.61 1.01 -0.49 -4.62 116.67 120.30 3ifj s ASP 91 Ca 0.00 2.20 -0.03 0.00 0.71 0.00 0.00 52.55 55.44 3ifj s ASP 91 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 3ifj s ASP 91 CO 0.00 -1.23 -0.03 -0.13 0.21 0.00 0.00 175.17 173.99 3ifj s ARG 92 N -3.25 3.36 0.25 8.23 0.52 -1.26 -0.63 118.95 126.18 3ifj s ARG 92 Ca 0.73 -0.49 0.08 0.00 -0.52 0.00 0.00 55.73 55.53 3ifj s ARG 92 Cb -0.25 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 3ifj s ARG 92 CO 0.28 0.43 0.08 0.14 0.02 0.00 0.00 175.30 176.25 3ifj s VAL 93 N -0.15 3.88 -0.11 3.52 -7.23 -0.24 -1.60 120.40 118.48 3ifj s VAL 93 Ca 0.03 -1.66 -0.27 0.00 -1.81 0.00 0.00 61.98 58.27 3ifj s VAL 93 Cb -0.13 -3.07 -0.02 0.00 0.56 0.00 0.00 36.38 33.72 3ifj s VAL 93 CO 0.02 -0.34 0.87 0.00 -0.31 0.00 0.00 175.10 175.34 3ifj s ALA 94 N -2.20 3.41 0.15 1.32 0.00 0.33 -0.94 121.76 123.84 3ifj s ALA 94 Ca 0.32 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.53 3ifj s ALA 94 Cb -0.07 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 3ifj s ALA 94 CO 0.22 -0.48 -0.10 0.14 0.00 0.00 0.00 175.76 175.53 3ifj s VAL 95 N 1.71 1.19 -0.29 0.00 -7.23 -0.19 -1.36 120.40 114.23 3ifj s VAL 95 Ca 0.42 -2.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.33 3ifj s VAL 95 Cb -0.18 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 3ifj s VAL 95 CO 0.17 -0.72 0.74 -0.60 -0.31 0.00 0.00 175.10 174.37 3ifj s ARG 96 N -3.66 4.01 0.02 4.82 3.52 -0.84 -1.49 118.95 125.33 3ifj s ARG 96 Ca 0.16 0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 56.04 3ifj s ARG 96 Cb 0.02 -3.70 -0.08 0.00 -1.56 0.00 0.00 34.95 29.63 3ifj s ARG 96 CO 0.01 -0.59 1.81 0.34 -0.81 0.00 0.00 175.30 176.06 3ifj s ASP 97 N 1.55 6.54 0.27 -2.12 3.68 0.42 -4.84 116.67 122.16 3ifj s ASP 97 Ca 0.30 2.52 0.20 0.00 2.13 0.00 0.00 52.55 57.71 3ifj s ASP 97 Cb -0.15 -2.54 1.01 0.00 -1.45 0.00 0.00 42.92 39.79 3ifj s ASP 97 CO 0.11 -0.99 1.62 0.52 0.13 0.00 0.00 175.17 176.56 3ifj n VAL 98 N 5.32 1.06 -0.11 1.11 0.31 -1.26 -0.39 118.33 124.37 3ifj n VAL 98 Ca 0.18 0.56 -0.23 0.00 -0.01 0.00 0.00 64.34 64.85 3ifj n VAL 98 Cb 0.41 -1.54 -0.08 0.00 -0.91 0.00 0.00 33.84 31.73 3ifj n VAL 98 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ifj n GLU 99 N -2.17 0.51 0.11 5.55 1.02 -1.26 -4.65 120.64 119.75 3ifj n GLU 99 Ca -0.00 0.22 0.04 0.00 -0.02 0.00 0.00 57.16 57.40 3ifj n GLU 99 Cb 0.09 -1.37 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 3ifj n GLU 99 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3ifj h THR 100 N -0.89 0.50 0.00 2.62 1.35 -1.97 -3.47 112.91 111.06 3ifj h THR 100 Ca -0.51 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 3ifj h THR 100 Cb 1.42 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.95 3ifj h THR 100 CO -0.31 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 3ifj n GLY 101 N 1.25 0.83 3.96 5.82 0.00 0.48 -5.01 105.19 112.52 3ifj n GLY 101 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 3ifj n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ifj s GLU 102 N -0.00 3.14 -0.00 1.61 2.02 -1.26 -4.67 118.70 119.54 3ifj s GLU 102 Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 3ifj s GLU 102 Cb 0.00 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 3ifj s GLU 102 CO 0.00 -0.10 1.01 -0.51 0.02 0.00 0.00 175.26 175.68 3ifj s LEU 404 N -4.40 4.36 0.09 1.80 1.02 -1.26 -0.44 118.68 119.85 3ifj s LEU 404 Ca 0.46 1.69 0.01 0.00 0.02 0.00 0.00 54.13 56.31 3ifj s LEU 404 Cb -0.10 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.50 3ifj s LEU 404 CO 0.35 -0.31 -0.04 0.00 0.02 0.00 0.00 176.35 176.38 3ifj s ARG 405 N 1.12 0.79 -0.09 1.70 1.70 -0.56 -4.93 118.95 118.69 3ifj s ARG 405 Ca 0.53 -1.32 -0.16 0.00 -0.47 0.00 0.00 55.73 54.30 3ifj s ARG 405 Cb -0.22 -0.02 -0.05 0.00 -0.57 0.00 0.00 34.95 34.09 3ifj s ARG 405 CO 0.27 -0.08 0.41 0.71 -1.08 0.00 0.00 175.30 175.53 3ifj s TYR 406 N -3.77 3.57 -0.02 5.89 2.02 -1.26 -1.02 117.35 122.75 3ifj s TYR 406 Ca 0.12 0.85 0.03 0.00 -0.37 0.00 0.00 57.07 57.71 3ifj s TYR 406 Cb 0.07 -2.42 -0.00 0.00 -0.40 0.00 0.00 41.96 39.20 3ifj s TYR 406 CO -0.05 0.33 -0.12 0.45 -1.57 0.00 0.00 175.55 174.59 3ifj s SER 407 N 0.07 1.45 0.35 2.29 0.15 -0.11 -4.91 113.70 112.99 3ifj s SER 407 Ca 0.23 -0.23 -0.27 0.00 0.70 0.00 0.00 55.95 56.38 3ifj s SER 407 Cb -0.15 -0.32 -0.09 0.00 -1.71 0.00 0.00 66.02 63.75 3ifj s SER 407 CO 0.10 0.11 1.18 0.54 1.20 0.00 0.00 173.24 176.36 3ifj s VAL 408 N 0.01 3.17 -0.29 4.45 0.11 -1.26 -1.07 120.40 125.50 3ifj s VAL 408 Ca -0.01 1.07 -0.29 0.00 -2.93 0.00 0.00 61.98 59.83 3ifj s VAL 408 Cb -0.08 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.14 3ifj s VAL 408 CO 0.00 0.18 1.07 -0.63 -3.33 0.00 0.00 175.10 172.40 3ifj s ILE 409 N -1.29 4.54 0.07 7.04 1.01 0.20 -0.62 121.20 132.15 3ifj s ILE 409 Ca 0.52 1.80 -0.15 0.00 0.00 0.00 0.00 60.65 62.82 3ifj s ILE 409 Cb -0.33 -4.38 -0.20 0.00 0.01 0.00 0.00 42.46 37.57 3ifj s ILE 409 CO 0.42 -0.40 1.22 0.03 0.00 0.00 0.00 174.94 176.22 3ifj h ARG 410 N 7.95 0.67 -2.12 2.79 2.47 -0.95 -1.06 114.38 124.13 3ifj h ARG 410 Ca -0.20 -0.62 -0.06 0.00 -1.26 0.00 0.00 59.98 57.84 3ifj h ARG 410 Cb 1.06 0.15 -0.21 0.00 -1.65 0.00 0.00 29.97 29.33 3ifj h ARG 410 CO 1.02 1.22 0.10 -2.00 0.56 0.00 0.00 179.97 180.87 3ifj s GLU 411 N -3.52 0.87 -0.26 0.04 2.12 -1.07 -4.80 118.70 112.07 3ifj s GLU 411 Ca -0.11 0.67 -0.12 0.00 0.36 0.00 0.00 54.97 55.77 3ifj s GLU 411 Cb 0.07 0.42 -0.05 0.00 0.26 0.00 0.00 34.13 34.83 3ifj s GLU 411 CO 0.89 -0.17 0.22 0.08 -0.54 0.00 0.00 175.26 175.74 3ifj s VAL 412 N -0.22 5.30 0.18 3.70 1.01 -1.26 -1.24 120.40 127.87 3ifj s VAL 412 Ca -0.04 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 3ifj s VAL 412 Cb -0.03 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 3ifj s VAL 412 CO 0.04 0.27 0.69 -0.76 0.00 0.00 0.00 175.10 175.33 3ifj s LEU 413 N 1.54 4.40 0.72 3.92 1.43 0.12 -4.95 118.68 125.87 3ifj s LEU 413 Ca 0.09 1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 3ifj s LEU 413 Cb -0.15 -3.41 0.02 0.00 0.03 0.00 0.00 46.19 42.68 3ifj s LEU 413 CO 0.08 0.10 1.14 -0.81 0.23 0.00 0.00 176.35 177.09 3ifj n PRO 414 N 0.98 0.63 -1.87 1.29 -0.04 -1.26 -2.82 135.00 131.92 3ifj n PRO 414 Ca -0.04 0.28 -0.39 0.00 -0.04 0.00 0.00 63.50 63.31 3ifj n PRO 414 Cb 0.51 -2.38 0.03 0.00 -0.04 0.00 0.00 33.50 31.61 3ifj n PRO 414 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3ifj s THR 415 N -1.75 2.24 0.06 0.52 2.01 -1.26 -4.56 115.64 112.91 3ifj s THR 415 Ca 0.77 0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.82 3ifj s THR 415 Cb -0.34 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.08 3ifj s THR 415 CO 0.47 0.01 0.30 0.00 -0.69 0.00 0.00 174.62 174.71 3ifj s ARG 416 N -2.74 0.86 0.14 4.92 1.70 -0.58 -4.96 118.95 118.29 3ifj s ARG 416 Ca 0.67 -0.61 -0.22 0.00 -0.47 0.00 0.00 55.73 55.10 3ifj s ARG 416 Cb -0.39 0.37 -0.07 0.00 -0.57 0.00 0.00 34.95 34.28 3ifj s ARG 416 CO 0.48 -0.29 0.68 1.03 -1.08 0.00 0.00 175.30 176.12 3ifj s ARG 417 N -2.98 4.35 0.02 3.89 1.81 -1.26 -0.76 118.95 124.03 3ifj s ARG 417 Ca -0.02 0.92 -0.27 0.00 -1.72 0.00 0.00 55.73 54.64 3ifj s ARG 417 Cb 0.01 -3.17 0.09 0.00 -0.45 0.00 0.00 34.95 31.43 3ifj s ARG 417 CO -0.06 0.56 0.80 0.00 -0.68 0.00 0.00 175.30 175.92 3ifj s ALA 418 N -1.21 -1.76 0.25 2.13 0.00 -0.58 -4.94 121.76 115.64 3ifj s ALA 418 Ca 0.34 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 3ifj s ALA 418 Cb -0.20 0.41 -0.09 0.00 0.00 0.00 0.00 23.12 23.23 3ifj s ALA 418 CO 0.22 -0.65 1.22 1.03 0.00 0.00 0.00 175.76 177.59 3ifj s ARG 419 N -2.93 4.48 0.18 0.00 1.81 -1.26 -0.69 118.95 120.54 3ifj s ARG 419 Ca 0.02 1.98 0.09 0.00 -1.72 0.00 0.00 55.73 56.10 3ifj s ARG 419 Cb -0.01 -3.18 -0.04 0.00 -0.45 0.00 0.00 34.95 31.27 3ifj s ARG 419 CO -0.07 -0.07 -0.20 0.95 -0.68 0.00 0.00 175.30 175.23 3ifj s THR 420 N -0.58 2.00 0.13 0.02 -4.23 -0.76 0.31 115.64 112.54 3ifj s THR 420 Ca 0.50 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 3ifj s THR 420 Cb -0.35 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 3ifj s THR 420 CO 0.42 -0.28 0.16 -0.31 -0.54 0.00 0.00 174.62 174.07 3ifj s TYR 421 N -2.01 0.56 0.03 3.99 1.51 0.18 -1.71 117.35 119.89 3ifj s TYR 421 Ca 0.18 -0.95 -0.02 0.00 -1.01 0.00 0.00 57.07 55.27 3ifj s TYR 421 Cb -0.06 -0.25 -0.02 0.00 -0.11 0.00 0.00 41.96 41.52 3ifj s TYR 421 CO 0.08 -0.60 0.02 -0.51 -1.11 0.00 0.00 175.55 173.43 3ifj s ASP 422 N -2.98 0.24 0.01 2.29 1.01 -0.65 -0.20 116.67 116.39 3ifj s ASP 422 Ca 0.18 -0.56 0.02 0.00 0.71 0.00 0.00 52.55 52.90 3ifj s ASP 422 Cb 0.05 0.16 -0.01 0.00 1.01 0.00 0.00 42.92 44.13 3ifj s ASP 422 CO -0.01 -0.40 -0.06 -0.76 0.21 0.00 0.00 175.17 174.14 3ifj s LEU 423 N -1.84 2.08 -0.23 1.23 1.43 -1.26 -0.79 118.68 119.29 3ifj s LEU 423 Ca -0.10 -0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 3ifj s LEU 423 Cb -0.05 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 3ifj s LEU 423 CO -0.03 -0.00 0.12 -1.61 0.23 0.00 0.00 176.35 175.06 3ifj s GLU 424 N -0.52 3.94 -0.26 1.70 0.41 -0.30 -4.97 118.70 118.71 3ifj s GLU 424 Ca -0.01 -0.34 -0.10 0.00 -0.41 0.00 0.00 54.97 54.11 3ifj s GLU 424 Cb -0.04 -3.43 -0.04 0.00 -1.78 0.00 0.00 34.13 28.83 3ifj s GLU 424 CO -0.00 0.03 0.15 0.08 -0.49 0.00 0.00 175.26 175.02 3ifj s VAL 425 N 1.10 5.05 0.27 2.63 1.01 -1.26 -0.34 120.40 128.86 3ifj s VAL 425 Ca 0.06 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 3ifj s VAL 425 Cb -0.14 -3.38 -0.14 0.00 0.00 0.00 0.00 36.38 32.73 3ifj s VAL 425 CO 0.04 0.31 1.23 1.21 0.00 0.00 0.00 175.10 177.88 3ifj n GLU 426 N 4.75 1.73 0.00 2.72 2.13 -0.01 -2.58 120.64 129.39 3ifj n GLU 426 Ca -0.15 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.28 3ifj n GLU 426 Cb 0.52 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.09 3ifj n GLU 426 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3ifj n GLU 427 N 1.24 0.00 0.08 5.31 2.13 -1.26 -4.35 120.64 123.79 3ifj n GLU 427 Ca 0.10 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.92 3ifj n GLU 427 Cb 0.32 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.98 3ifj n GLU 427 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3ifj h LEU 428 N 0.00 0.00 2.87 4.31 3.38 -1.91 -3.48 115.31 120.48 3ifj h LEU 428 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 3ifj h LEU 428 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3ifj h LEU 428 CO 0.00 0.60 -0.50 1.41 0.09 0.00 0.00 178.44 180.04 3ifj n HIS 429 N -3.07 -1.02 -4.05 1.13 8.25 -1.06 -4.93 115.22 110.46 3ifj n HIS 429 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 3ifj n HIS 429 Cb 0.82 -3.82 -0.09 0.00 1.12 0.00 0.00 29.99 28.02 3ifj n HIS 429 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ifj s THR 430 N -2.98 0.12 0.03 1.59 -4.23 -1.26 -4.75 115.64 104.17 3ifj s THR 430 Ca 0.00 -1.67 -0.24 0.00 -1.18 0.00 0.00 61.69 58.60 3ifj s THR 430 Cb 0.00 -1.79 0.06 0.00 1.34 0.00 0.00 72.50 72.11 3ifj s THR 430 CO 0.00 -0.56 0.56 -1.48 -0.54 0.00 0.00 174.62 172.60 3ifj s LEU 431 N -2.98 -0.26 -0.39 4.79 2.34 -0.71 -4.49 118.68 116.98 3ifj s LEU 431 Ca 0.16 0.30 -0.17 0.00 0.06 0.00 0.00 54.13 54.48 3ifj s LEU 431 Cb 0.06 2.26 0.01 0.00 -0.56 0.00 0.00 46.19 47.96 3ifj s LEU 431 CO -0.03 -0.71 0.45 -0.69 -1.06 0.00 0.00 176.35 174.31 3ifj s VAL 432 N -2.22 5.07 -0.15 1.48 1.01 -0.38 -1.02 120.40 124.20 3ifj s VAL 432 Ca -0.06 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3ifj s VAL 432 Cb -0.01 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.40 3ifj s VAL 432 CO 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 175.10 174.58 3ifj s ALA 433 N 2.20 2.32 -1.59 5.51 0.00 0.18 -4.52 121.76 125.85 3ifj s ALA 433 Ca 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3ifj s ALA 433 Cb -0.16 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.89 3ifj s ALA 433 CO 0.13 -0.05 0.00 0.39 0.00 0.00 0.00 175.76 176.24 3ifj n GLU 434 N 4.10 -1.80 -0.45 0.00 -0.58 -0.69 -1.25 120.64 119.97 3ifj n GLU 434 Ca -0.20 0.90 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 3ifj n GLU 434 Cb 0.51 -5.50 0.00 0.00 -0.57 0.00 0.00 31.44 25.89 3ifj n GLU 434 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifj n GLY 435 N -0.85 1.27 3.66 0.62 0.00 -1.26 -4.39 105.19 104.24 3ifj n GLY 435 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3ifj n GLY 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifj s VAL 436 N -3.14 4.22 -0.39 1.61 1.01 -0.38 -1.99 120.40 121.34 3ifj s VAL 436 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 3ifj s VAL 436 Cb 0.00 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.64 3ifj s VAL 436 CO 0.00 0.60 1.12 -0.69 0.00 0.00 0.00 175.10 176.13 3ifj s VAL 437 N -0.84 4.35 0.24 2.92 1.01 -0.47 -0.65 120.40 126.96 3ifj s VAL 437 Ca 0.13 1.47 0.11 0.00 0.00 0.00 0.00 61.98 63.69 3ifj s VAL 437 Cb -0.11 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 3ifj s VAL 437 CO 0.02 -0.73 -0.20 0.68 0.00 0.00 0.00 175.10 174.87 3ifj s VAL 438 N 4.08 2.28 -2.00 2.92 -7.23 -0.19 -1.99 120.40 118.27 3ifj s VAL 438 Ca 0.47 -2.26 0.19 0.00 -1.81 0.00 0.00 61.98 58.57 3ifj s VAL 438 Cb -0.10 -2.18 0.53 0.00 0.56 0.00 0.00 36.38 35.19 3ifj s VAL 438 CO 0.24 -0.37 1.51 1.57 -0.31 0.00 0.00 175.10 177.73